USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 622 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 62 LYS NZ :NH3+ -115:sc= 0.319 (180deg=-1.26) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.12! C(o=-1.8!,f=-8.9!) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.315 USER MOD Set 2.2: A 31 ASN :FLIP amide:sc= -0.189 F(o=-1.1,f=-0.5) USER MOD Set 3.1: A 23 CYS SG : rot 177:sc= -0.835 USER MOD Set 3.2: A 26 CYS SG : rot -66:sc= -0.729 USER MOD Set 3.3: A 28 SER OG : rot 82:sc= 1.01 USER MOD Set 3.4: A 54 ASN : amide:sc= -1.62 K(o=-7.1,f=-16!) USER MOD Set 3.5: A 55 HIS : no HE2:sc= -3.85! C(o=-7.1!,f=-9.3!) USER MOD Set 3.6: A 58 CYS SG : rot -80:sc= -1.09 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -34:sc= 1.04 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 150:sc= -0.0599 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= 0.171 (180deg=-0.00264) USER MOD Single : A 34 ASN : amide:sc= 0.0215 X(o=0.021,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.011 (180deg=-0.156) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.468 K(o=0.47,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= -0.728 X(o=-0.73,f=-0.62) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 15:sc= -0.337 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.535 11.238 4.037 1.00 0.00 N ATOM 84 CA LYS A 9 9.808 10.464 2.832 1.00 0.00 C ATOM 85 C LYS A 9 8.741 10.714 1.771 1.00 0.00 C ATOM 86 O LYS A 9 7.610 11.095 2.071 1.00 0.00 O ATOM 87 CB LYS A 9 9.871 8.971 3.164 1.00 0.00 C ATOM 88 CG LYS A 9 11.166 8.552 3.838 1.00 0.00 C ATOM 89 CD LYS A 9 11.031 8.546 5.351 1.00 0.00 C ATOM 90 CE LYS A 9 12.352 8.875 6.030 1.00 0.00 C ATOM 91 NZ LYS A 9 13.182 7.658 6.246 1.00 0.00 N ATOM 0 HA LYS A 9 10.772 10.784 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.034 8.716 3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.747 8.398 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.451 7.558 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.966 9.232 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.275 9.271 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.684 7.567 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.906 9.589 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.158 9.357 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.074 7.924 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.664 6.987 6.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.389 7.212 5.330 1.00 0.00 H new ATOM 105 N PRO A 10 9.107 10.495 0.499 1.00 0.00 N ATOM 106 CA PRO A 10 8.195 10.689 -0.632 1.00 0.00 C ATOM 107 C PRO A 10 7.086 9.644 -0.668 1.00 0.00 C ATOM 108 O PRO A 10 5.963 9.931 -1.083 1.00 0.00 O ATOM 109 CB PRO A 10 9.107 10.543 -1.852 1.00 0.00 C ATOM 110 CG PRO A 10 10.237 9.693 -1.382 1.00 0.00 C ATOM 111 CD PRO A 10 10.440 10.040 0.068 1.00 0.00 C ATOM 0 HA PRO A 10 7.680 11.648 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.581 10.077 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.460 11.514 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.005 8.635 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.140 9.889 -1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.776 9.178 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.191 10.820 0.193 1.00 0.00 H new ATOM 119 N TRP A 11 7.407 8.432 -0.231 1.00 0.00 N ATOM 120 CA TRP A 11 6.436 7.343 -0.213 1.00 0.00 C ATOM 121 C TRP A 11 6.124 6.916 1.217 1.00 0.00 C ATOM 122 O TRP A 11 6.963 7.041 2.109 1.00 0.00 O ATOM 123 CB TRP A 11 6.963 6.150 -1.011 1.00 0.00 C ATOM 124 CG TRP A 11 7.099 6.429 -2.477 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.202 6.913 -3.120 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.096 6.244 -3.482 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.946 7.040 -4.464 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.661 6.635 -4.712 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.777 5.783 -3.463 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.950 6.579 -5.908 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.073 5.729 -4.651 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.660 6.125 -5.860 1.00 0.00 C ATOM 0 H TRP A 11 8.332 8.178 0.116 1.00 0.00 H new ATOM 0 HA TRP A 11 5.516 7.702 -0.674 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.934 5.856 -0.613 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.292 5.303 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.139 7.160 -2.642 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.606 7.381 -5.164 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.316 5.474 -2.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.401 6.883 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.053 5.375 -4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.083 6.071 -6.772 1.00 0.00 H new ATOM 143 N ARG A 12 4.912 6.412 1.428 1.00 0.00 N ATOM 144 CA ARG A 12 4.490 5.967 2.751 1.00 0.00 C ATOM 145 C ARG A 12 4.041 4.509 2.717 1.00 0.00 C ATOM 146 O ARG A 12 3.493 4.041 1.719 1.00 0.00 O ATOM 147 CB ARG A 12 3.353 6.850 3.270 1.00 0.00 C ATOM 148 CG ARG A 12 1.997 6.511 2.672 1.00 0.00 C ATOM 149 CD ARG A 12 0.954 7.559 3.027 1.00 0.00 C ATOM 150 NE ARG A 12 0.655 7.571 4.457 1.00 0.00 N ATOM 151 CZ ARG A 12 0.079 8.594 5.078 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.260 9.681 4.399 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.161 8.530 6.382 1.00 0.00 N ATOM 0 H ARG A 12 4.206 6.302 0.700 1.00 0.00 H new ATOM 0 HA ARG A 12 5.343 6.051 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.296 6.755 4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.586 7.893 3.053 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.085 6.436 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.672 5.536 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.311 8.543 2.723 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.039 7.364 2.467 1.00 0.00 H new ATOM 0 HE ARG A 12 0.902 6.749 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.079 9.733 3.397 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.702 10.465 4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.097 7.695 6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.603 9.316 6.858 1.00 0.00 H new ATOM 167 N ALA A 13 4.278 3.797 3.813 1.00 0.00 N ATOM 168 CA ALA A 13 3.897 2.393 3.909 1.00 0.00 C ATOM 169 C ALA A 13 3.169 2.110 5.219 1.00 0.00 C ATOM 170 O ALA A 13 3.751 2.215 6.298 1.00 0.00 O ATOM 171 CB ALA A 13 5.125 1.503 3.783 1.00 0.00 C ATOM 0 H ALA A 13 4.732 4.169 4.647 1.00 0.00 H new ATOM 0 HA ALA A 13 3.215 2.171 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.826 0.457 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.603 1.677 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.827 1.736 4.583 1.00 0.00 H new ATOM 177 N GLU A 14 1.893 1.751 5.116 1.00 0.00 N ATOM 178 CA GLU A 14 1.086 1.455 6.293 1.00 0.00 C ATOM 179 C GLU A 14 -0.143 0.631 5.918 1.00 0.00 C ATOM 180 O GLU A 14 -0.658 0.737 4.805 1.00 0.00 O ATOM 181 CB GLU A 14 0.653 2.751 6.982 1.00 0.00 C ATOM 182 CG GLU A 14 -0.121 3.693 6.075 1.00 0.00 C ATOM 183 CD GLU A 14 -0.329 5.061 6.696 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.655 5.823 6.798 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.477 5.369 7.079 1.00 0.00 O ATOM 0 H GLU A 14 1.397 1.658 4.230 1.00 0.00 H new ATOM 0 HA GLU A 14 1.697 0.872 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.037 2.505 7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.537 3.266 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.413 3.804 5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.090 3.253 5.842 1.00 0.00 H new ATOM 192 N TYR A 15 -0.606 -0.189 6.854 1.00 0.00 N ATOM 193 CA TYR A 15 -1.771 -1.034 6.622 1.00 0.00 C ATOM 194 C TYR A 15 -3.062 -0.238 6.789 1.00 0.00 C ATOM 195 O TYR A 15 -3.259 0.443 7.795 1.00 0.00 O ATOM 196 CB TYR A 15 -1.764 -2.224 7.582 1.00 0.00 C ATOM 197 CG TYR A 15 -0.774 -3.302 7.202 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.163 -3.090 6.198 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.776 -4.533 7.847 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.069 -4.072 5.847 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.128 -5.520 7.504 1.00 0.00 C ATOM 202 CZ TYR A 15 1.048 -5.285 6.504 1.00 0.00 C ATOM 203 OH TYR A 15 1.948 -6.267 6.158 1.00 0.00 O ATOM 0 H TYR A 15 -0.192 -0.287 7.781 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.723 -1.403 5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.534 -1.869 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.764 -2.657 7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.183 -2.141 5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.496 -4.721 8.629 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.789 -3.891 5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.114 -6.471 8.016 1.00 0.00 H new ATOM 0 HH TYR A 15 2.128 -6.221 5.196 1.00 0.00 H new ATOM 213 N ALA A 16 -3.940 -0.332 5.796 1.00 0.00 N ATOM 214 CA ALA A 16 -5.214 0.376 5.833 1.00 0.00 C ATOM 215 C ALA A 16 -6.013 0.003 7.078 1.00 0.00 C ATOM 216 O ALA A 16 -5.886 -1.104 7.601 1.00 0.00 O ATOM 217 CB ALA A 16 -6.020 0.079 4.578 1.00 0.00 C ATOM 0 H ALA A 16 -3.793 -0.891 4.956 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.006 1.445 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.969 0.614 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.459 0.402 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.211 -0.992 4.513 1.00 0.00 H new ATOM 223 N LYS A 17 -6.836 0.935 7.548 1.00 0.00 N ATOM 224 CA LYS A 17 -7.656 0.705 8.731 1.00 0.00 C ATOM 225 C LYS A 17 -9.117 0.493 8.347 1.00 0.00 C ATOM 226 O LYS A 17 -9.888 -0.097 9.104 1.00 0.00 O ATOM 227 CB LYS A 17 -7.538 1.886 9.696 1.00 0.00 C ATOM 228 CG LYS A 17 -6.242 1.897 10.489 1.00 0.00 C ATOM 229 CD LYS A 17 -6.381 1.134 11.795 1.00 0.00 C ATOM 230 CE LYS A 17 -5.274 1.496 12.773 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.139 0.486 13.859 1.00 0.00 N ATOM 0 H LYS A 17 -6.952 1.857 7.127 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.293 -0.197 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.616 2.815 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.378 1.863 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.445 1.455 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.951 2.926 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.350 1.352 12.244 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.356 0.063 11.596 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.329 1.580 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.481 2.473 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.374 0.770 14.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.032 0.423 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.916 -0.442 13.445 1.00 0.00 H new ATOM 245 N SER A 18 -9.490 0.977 7.166 1.00 0.00 N ATOM 246 CA SER A 18 -10.859 0.842 6.683 1.00 0.00 C ATOM 247 C SER A 18 -10.889 0.707 5.164 1.00 0.00 C ATOM 248 O SER A 18 -9.973 1.153 4.472 1.00 0.00 O ATOM 249 CB SER A 18 -11.696 2.047 7.116 1.00 0.00 C ATOM 250 OG SER A 18 -11.803 2.114 8.527 1.00 0.00 O ATOM 0 H SER A 18 -8.863 1.466 6.527 1.00 0.00 H new ATOM 0 HA SER A 18 -11.284 -0.062 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.242 2.963 6.739 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.691 1.980 6.676 1.00 0.00 H new ATOM 0 HG SER A 18 -12.341 2.894 8.778 1.00 0.00 H new ATOM 256 N SER A 19 -11.947 0.089 4.651 1.00 0.00 N ATOM 257 CA SER A 19 -12.096 -0.109 3.214 1.00 0.00 C ATOM 258 C SER A 19 -12.760 1.102 2.565 1.00 0.00 C ATOM 259 O SER A 19 -13.519 0.966 1.605 1.00 0.00 O ATOM 260 CB SER A 19 -12.918 -1.368 2.933 1.00 0.00 C ATOM 261 OG SER A 19 -12.552 -2.422 3.806 1.00 0.00 O ATOM 0 H SER A 19 -12.715 -0.284 5.209 1.00 0.00 H new ATOM 0 HA SER A 19 -11.102 -0.230 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.979 -1.147 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.769 -1.680 1.899 1.00 0.00 H new ATOM 0 HG SER A 19 -13.093 -3.214 3.607 1.00 0.00 H new ATOM 267 N ARG A 20 -12.467 2.284 3.095 1.00 0.00 N ATOM 268 CA ARG A 20 -13.036 3.519 2.569 1.00 0.00 C ATOM 269 C ARG A 20 -12.176 4.077 1.439 1.00 0.00 C ATOM 270 O ARG A 20 -12.692 4.530 0.418 1.00 0.00 O ATOM 271 CB ARG A 20 -13.170 4.559 3.683 1.00 0.00 C ATOM 272 CG ARG A 20 -14.399 4.362 4.556 1.00 0.00 C ATOM 273 CD ARG A 20 -14.135 4.783 5.993 1.00 0.00 C ATOM 274 NE ARG A 20 -14.466 6.187 6.222 1.00 0.00 N ATOM 275 CZ ARG A 20 -13.963 6.908 7.218 1.00 0.00 C ATOM 276 NH1 ARG A 20 -13.111 6.359 8.073 1.00 0.00 N ATOM 277 NH2 ARG A 20 -14.313 8.180 7.360 1.00 0.00 N ATOM 0 H ARG A 20 -11.839 2.413 3.888 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.025 3.292 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.280 4.523 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.207 5.553 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.230 4.941 4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.700 3.315 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.721 4.158 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.085 4.614 6.233 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.119 6.639 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.841 5.381 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.726 6.914 8.837 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.969 8.605 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.926 8.733 8.125 1.00 0.00 H new ATOM 291 N SER A 21 -10.861 4.040 1.631 1.00 0.00 N ATOM 292 CA SER A 21 -9.928 4.545 0.630 1.00 0.00 C ATOM 293 C SER A 21 -10.029 3.739 -0.662 1.00 0.00 C ATOM 294 O SER A 21 -10.406 2.568 -0.648 1.00 0.00 O ATOM 295 CB SER A 21 -8.496 4.495 1.165 1.00 0.00 C ATOM 296 OG SER A 21 -8.067 3.158 1.352 1.00 0.00 O ATOM 0 H SER A 21 -10.418 3.666 2.470 1.00 0.00 H new ATOM 0 HA SER A 21 -10.191 5.580 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.827 5.001 0.469 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.439 5.034 2.111 1.00 0.00 H new ATOM 0 HG SER A 21 -7.097 3.104 1.220 1.00 0.00 H new ATOM 302 N SER A 22 -9.688 4.377 -1.777 1.00 0.00 N ATOM 303 CA SER A 22 -9.743 3.722 -3.079 1.00 0.00 C ATOM 304 C SER A 22 -8.505 4.055 -3.907 1.00 0.00 C ATOM 305 O SER A 22 -8.096 5.212 -3.995 1.00 0.00 O ATOM 306 CB SER A 22 -11.005 4.145 -3.834 1.00 0.00 C ATOM 307 OG SER A 22 -12.126 4.186 -2.969 1.00 0.00 O ATOM 0 H SER A 22 -9.371 5.346 -1.805 1.00 0.00 H new ATOM 0 HA SER A 22 -9.771 2.645 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.852 5.126 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.196 3.447 -4.649 1.00 0.00 H new ATOM 0 HG SER A 22 -12.919 4.460 -3.475 1.00 0.00 H new ATOM 313 N CYS A 23 -7.914 3.031 -4.513 1.00 0.00 N ATOM 314 CA CYS A 23 -6.723 3.212 -5.335 1.00 0.00 C ATOM 315 C CYS A 23 -6.999 4.172 -6.488 1.00 0.00 C ATOM 316 O CYS A 23 -8.151 4.409 -6.852 1.00 0.00 O ATOM 317 CB CYS A 23 -6.245 1.865 -5.881 1.00 0.00 C ATOM 318 SG CYS A 23 -4.683 1.953 -6.814 1.00 0.00 S ATOM 0 H CYS A 23 -8.240 2.067 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.941 3.640 -4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.120 1.171 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.019 1.452 -6.527 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.325 0.757 -7.176 1.00 0.00 H new ATOM 323 N LYS A 24 -5.933 4.722 -7.060 1.00 0.00 N ATOM 324 CA LYS A 24 -6.057 5.656 -8.173 1.00 0.00 C ATOM 325 C LYS A 24 -5.535 5.035 -9.464 1.00 0.00 C ATOM 326 O LYS A 24 -5.992 5.372 -10.557 1.00 0.00 O ATOM 327 CB LYS A 24 -5.294 6.947 -7.870 1.00 0.00 C ATOM 328 CG LYS A 24 -5.720 7.616 -6.574 1.00 0.00 C ATOM 329 CD LYS A 24 -7.036 8.358 -6.736 1.00 0.00 C ATOM 330 CE LYS A 24 -7.154 9.505 -5.744 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.736 9.059 -4.448 1.00 0.00 N ATOM 0 H LYS A 24 -4.973 4.537 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.114 5.889 -8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.228 6.726 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.438 7.646 -8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.819 6.864 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.946 8.312 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.114 8.745 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.866 7.665 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.169 9.938 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.777 10.291 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.800 9.869 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.686 8.669 -4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.128 8.327 -4.028 1.00 0.00 H new ATOM 345 N THR A 25 -4.574 4.125 -9.332 1.00 0.00 N ATOM 346 CA THR A 25 -3.990 3.457 -10.488 1.00 0.00 C ATOM 347 C THR A 25 -4.974 2.472 -11.110 1.00 0.00 C ATOM 348 O THR A 25 -4.916 2.194 -12.308 1.00 0.00 O ATOM 349 CB THR A 25 -2.699 2.706 -10.111 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.617 3.633 -9.971 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.350 1.666 -11.164 1.00 0.00 C ATOM 0 H THR A 25 -4.184 3.834 -8.435 1.00 0.00 H new ATOM 0 HA THR A 25 -3.751 4.234 -11.214 1.00 0.00 H new ATOM 0 HB THR A 25 -2.865 2.196 -9.162 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.978 3.293 -9.310 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.435 1.149 -10.875 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.163 0.945 -11.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.201 2.157 -12.126 1.00 0.00 H new ATOM 359 N CYS A 26 -5.877 1.948 -10.288 1.00 0.00 N ATOM 360 CA CYS A 26 -6.875 0.994 -10.757 1.00 0.00 C ATOM 361 C CYS A 26 -8.285 1.479 -10.434 1.00 0.00 C ATOM 362 O CYS A 26 -9.272 0.923 -10.918 1.00 0.00 O ATOM 363 CB CYS A 26 -6.637 -0.378 -10.122 1.00 0.00 C ATOM 364 SG CYS A 26 -6.983 -0.439 -8.334 1.00 0.00 S ATOM 0 H CYS A 26 -5.938 2.168 -9.294 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.779 0.908 -11.839 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.262 -1.114 -10.628 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.601 -0.670 -10.291 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.129 0.310 -7.701 1.00 0.00 H new ATOM 369 N LYS A 27 -8.374 2.519 -9.612 1.00 0.00 N ATOM 370 CA LYS A 27 -9.662 3.082 -9.224 1.00 0.00 C ATOM 371 C LYS A 27 -10.516 2.041 -8.508 1.00 0.00 C ATOM 372 O LYS A 27 -11.709 1.909 -8.782 1.00 0.00 O ATOM 373 CB LYS A 27 -10.404 3.607 -10.456 1.00 0.00 C ATOM 374 CG LYS A 27 -9.673 4.728 -11.174 1.00 0.00 C ATOM 375 CD LYS A 27 -8.751 4.190 -12.255 1.00 0.00 C ATOM 376 CE LYS A 27 -9.531 3.758 -13.488 1.00 0.00 C ATOM 377 NZ LYS A 27 -8.645 3.151 -14.520 1.00 0.00 N ATOM 0 H LYS A 27 -7.568 2.990 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.478 3.909 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.563 2.784 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.389 3.962 -10.153 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.398 5.410 -11.619 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.093 5.305 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.026 4.956 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.186 3.343 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.298 3.039 -13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.046 4.620 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.214 2.870 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.929 3.845 -14.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.173 2.314 -14.123 1.00 0.00 H new ATOM 391 N SER A 28 -9.899 1.305 -7.590 1.00 0.00 N ATOM 392 CA SER A 28 -10.603 0.274 -6.836 1.00 0.00 C ATOM 393 C SER A 28 -10.572 0.578 -5.342 1.00 0.00 C ATOM 394 O SER A 28 -9.943 1.541 -4.905 1.00 0.00 O ATOM 395 CB SER A 28 -9.980 -1.098 -7.103 1.00 0.00 C ATOM 396 OG SER A 28 -9.703 -1.273 -8.481 1.00 0.00 O ATOM 0 H SER A 28 -8.913 1.403 -7.350 1.00 0.00 H new ATOM 0 HA SER A 28 -11.642 0.263 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.060 -1.201 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.658 -1.881 -6.763 1.00 0.00 H new ATOM 0 HG SER A 28 -8.852 -0.840 -8.701 1.00 0.00 H new ATOM 402 N VAL A 29 -11.258 -0.252 -4.561 1.00 0.00 N ATOM 403 CA VAL A 29 -11.309 -0.075 -3.115 1.00 0.00 C ATOM 404 C VAL A 29 -10.159 -0.804 -2.431 1.00 0.00 C ATOM 405 O VAL A 29 -9.813 -1.926 -2.803 1.00 0.00 O ATOM 406 CB VAL A 29 -12.643 -0.582 -2.535 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.447 -1.093 -1.115 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.693 0.518 -2.574 1.00 0.00 C ATOM 0 H VAL A 29 -11.786 -1.054 -4.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.221 0.994 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.995 -1.411 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.400 -1.447 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.729 -1.913 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.072 -0.285 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.629 0.142 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.351 1.368 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.852 0.832 -3.605 1.00 0.00 H new ATOM 418 N ILE A 30 -9.571 -0.161 -1.428 1.00 0.00 N ATOM 419 CA ILE A 30 -8.460 -0.750 -0.690 1.00 0.00 C ATOM 420 C ILE A 30 -8.901 -1.200 0.699 1.00 0.00 C ATOM 421 O ILE A 30 -8.821 -0.441 1.663 1.00 0.00 O ATOM 422 CB ILE A 30 -7.290 0.241 -0.548 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.784 0.667 -1.928 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.165 -0.380 0.265 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.020 1.973 -1.915 1.00 0.00 C ATOM 0 H ILE A 30 -9.845 0.768 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.125 -1.616 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.646 1.127 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.141 -0.117 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.633 0.759 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.346 0.333 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.533 -0.639 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.808 -1.280 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.692 2.213 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.666 2.769 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.151 1.880 -1.264 1.00 0.00 H new ATOM 437 N ASN A 31 -9.364 -2.443 0.792 1.00 0.00 N ATOM 438 CA ASN A 31 -9.816 -2.996 2.064 1.00 0.00 C ATOM 439 C ASN A 31 -8.721 -2.894 3.122 1.00 0.00 C ATOM 440 O ASN A 31 -7.532 -2.952 2.808 1.00 0.00 O ATOM 441 CB ASN A 31 -10.236 -4.457 1.888 1.00 0.00 C ATOM 442 CG ASN A 31 -11.093 -4.667 0.655 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.278 -4.066 0.649 1.00 0.00 O flip ATOM 444 ND2 ASN A 31 -10.696 -5.362 -0.280 1.00 0.00 N flip ATOM 0 H ASN A 31 -9.436 -3.085 0.003 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.675 -2.415 2.399 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.346 -5.082 1.819 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.787 -4.783 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.778 -5.805 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.285 -5.495 -1.102 1.00 0.00 H new ATOM 451 N LYS A 32 -9.131 -2.741 4.376 1.00 0.00 N ATOM 452 CA LYS A 32 -8.187 -2.632 5.482 1.00 0.00 C ATOM 453 C LYS A 32 -7.383 -3.919 5.639 1.00 0.00 C ATOM 454 O LYS A 32 -7.753 -4.962 5.102 1.00 0.00 O ATOM 455 CB LYS A 32 -8.928 -2.319 6.784 1.00 0.00 C ATOM 456 CG LYS A 32 -9.535 -3.543 7.447 1.00 0.00 C ATOM 457 CD LYS A 32 -10.882 -3.226 8.076 1.00 0.00 C ATOM 458 CE LYS A 32 -10.734 -2.819 9.534 1.00 0.00 C ATOM 459 NZ LYS A 32 -11.901 -2.024 10.009 1.00 0.00 N ATOM 0 H LYS A 32 -10.112 -2.690 4.652 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.497 -1.818 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.237 -1.844 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.719 -1.598 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.655 -4.336 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.855 -3.919 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.364 -2.422 7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.532 -4.098 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.627 -3.711 10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.822 -2.235 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.074 -2.227 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.702 -1.010 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.743 -2.279 9.455 1.00 0.00 H new ATOM 473 N GLU A 33 -6.282 -3.837 6.381 1.00 0.00 N ATOM 474 CA GLU A 33 -5.427 -4.996 6.608 1.00 0.00 C ATOM 475 C GLU A 33 -4.660 -5.363 5.342 1.00 0.00 C ATOM 476 O GLU A 33 -4.259 -6.512 5.157 1.00 0.00 O ATOM 477 CB GLU A 33 -6.263 -6.189 7.076 1.00 0.00 C ATOM 478 CG GLU A 33 -7.371 -5.814 8.045 1.00 0.00 C ATOM 479 CD GLU A 33 -7.648 -6.903 9.064 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.382 -8.084 8.759 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.130 -6.573 10.168 1.00 0.00 O ATOM 0 H GLU A 33 -5.962 -2.981 6.834 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.707 -4.738 7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.703 -6.677 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.607 -6.917 7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.098 -4.896 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.283 -5.605 7.485 1.00 0.00 H new ATOM 488 N ASN A 34 -4.459 -4.379 4.472 1.00 0.00 N ATOM 489 CA ASN A 34 -3.741 -4.598 3.221 1.00 0.00 C ATOM 490 C ASN A 34 -2.569 -3.630 3.090 1.00 0.00 C ATOM 491 O ASN A 34 -2.627 -2.499 3.574 1.00 0.00 O ATOM 492 CB ASN A 34 -4.688 -4.434 2.030 1.00 0.00 C ATOM 493 CG ASN A 34 -5.392 -5.728 1.670 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.907 -6.503 0.845 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.543 -5.967 2.288 1.00 0.00 N ATOM 0 H ASN A 34 -4.783 -3.422 4.610 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.350 -5.615 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.431 -3.671 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.125 -4.078 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.063 -6.821 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.907 -5.296 2.965 1.00 0.00 H new ATOM 502 N PHE A 35 -1.506 -4.081 2.433 1.00 0.00 N ATOM 503 CA PHE A 35 -0.320 -3.256 2.238 1.00 0.00 C ATOM 504 C PHE A 35 -0.504 -2.310 1.056 1.00 0.00 C ATOM 505 O PHE A 35 -0.545 -2.740 -0.097 1.00 0.00 O ATOM 506 CB PHE A 35 0.910 -4.138 2.014 1.00 0.00 C ATOM 507 CG PHE A 35 2.049 -3.420 1.349 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.277 -2.076 1.596 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.893 -4.090 0.477 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.325 -1.412 0.986 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.942 -3.431 -0.135 1.00 0.00 C ATOM 512 CZ PHE A 35 4.158 -2.091 0.118 1.00 0.00 C ATOM 0 H PHE A 35 -1.442 -5.014 2.026 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.171 -2.659 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.248 -4.528 2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.626 -4.996 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.628 -1.541 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.729 -5.138 0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.492 -0.364 1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.593 -3.964 -0.812 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.976 -1.575 -0.362 1.00 0.00 H new ATOM 522 N ARG A 36 -0.615 -1.019 1.350 1.00 0.00 N ATOM 523 CA ARG A 36 -0.797 -0.011 0.313 1.00 0.00 C ATOM 524 C ARG A 36 0.340 1.007 0.339 1.00 0.00 C ATOM 525 O ARG A 36 1.167 1.007 1.251 1.00 0.00 O ATOM 526 CB ARG A 36 -2.138 0.702 0.493 1.00 0.00 C ATOM 527 CG ARG A 36 -2.323 1.313 1.872 1.00 0.00 C ATOM 528 CD ARG A 36 -3.494 2.282 1.900 1.00 0.00 C ATOM 529 NE ARG A 36 -3.543 3.046 3.144 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.390 4.047 3.358 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.253 4.403 2.417 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.374 4.694 4.517 1.00 0.00 N ATOM 0 H ARG A 36 -0.582 -0.646 2.299 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.789 -0.515 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.226 1.487 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.945 -0.007 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.487 0.521 2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.412 1.834 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.417 2.968 1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.425 1.729 1.777 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.892 2.798 3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.268 3.908 1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.902 5.172 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.711 4.423 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.024 5.462 4.681 1.00 0.00 H new ATOM 546 N LEU A 37 0.374 1.873 -0.668 1.00 0.00 N ATOM 547 CA LEU A 37 1.409 2.897 -0.761 1.00 0.00 C ATOM 548 C LEU A 37 0.796 4.270 -1.015 1.00 0.00 C ATOM 549 O LEU A 37 -0.148 4.406 -1.792 1.00 0.00 O ATOM 550 CB LEU A 37 2.396 2.552 -1.879 1.00 0.00 C ATOM 551 CG LEU A 37 3.352 1.393 -1.596 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.170 1.062 -2.835 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.265 1.728 -0.426 1.00 0.00 C ATOM 0 H LEU A 37 -0.303 1.887 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 37 1.941 2.928 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.827 2.316 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.989 3.440 -2.100 1.00 0.00 H new ATOM 0 HG LEU A 37 2.761 0.516 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.845 0.235 -2.615 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.501 0.778 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.751 1.935 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.939 0.892 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.848 2.618 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.663 1.915 0.463 1.00 0.00 H new ATOM 565 N GLY A 38 1.340 5.287 -0.354 1.00 0.00 N ATOM 566 CA GLY A 38 0.835 6.637 -0.523 1.00 0.00 C ATOM 567 C GLY A 38 1.914 7.611 -0.952 1.00 0.00 C ATOM 568 O GLY A 38 2.845 7.892 -0.196 1.00 0.00 O ATOM 0 H GLY A 38 2.122 5.200 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.038 6.633 -1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.395 6.977 0.415 1.00 0.00 H new ATOM 572 N LYS A 39 1.793 8.127 -2.171 1.00 0.00 N ATOM 573 CA LYS A 39 2.766 9.074 -2.702 1.00 0.00 C ATOM 574 C LYS A 39 2.535 10.469 -2.129 1.00 0.00 C ATOM 575 O LYS A 39 1.593 11.162 -2.515 1.00 0.00 O ATOM 576 CB LYS A 39 2.683 9.119 -4.229 1.00 0.00 C ATOM 577 CG LYS A 39 3.792 9.932 -4.874 1.00 0.00 C ATOM 578 CD LYS A 39 4.091 9.449 -6.284 1.00 0.00 C ATOM 579 CE LYS A 39 5.509 9.803 -6.705 1.00 0.00 C ATOM 580 NZ LYS A 39 5.608 11.207 -7.192 1.00 0.00 N ATOM 0 H LYS A 39 1.030 7.905 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 39 3.761 8.739 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.718 8.101 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.720 9.538 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.505 10.983 -4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.694 9.864 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.954 8.369 -6.337 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.381 9.895 -6.981 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.184 9.663 -5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.835 9.122 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.590 11.410 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.983 11.335 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.321 11.858 -6.434 1.00 0.00 H new ATOM 594 N LEU A 40 3.401 10.875 -1.207 1.00 0.00 N ATOM 595 CA LEU A 40 3.292 12.189 -0.581 1.00 0.00 C ATOM 596 C LEU A 40 3.778 13.283 -1.526 1.00 0.00 C ATOM 597 O LEU A 40 4.979 13.436 -1.752 1.00 0.00 O ATOM 598 CB LEU A 40 4.099 12.225 0.717 1.00 0.00 C ATOM 599 CG LEU A 40 3.811 11.106 1.719 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.774 11.179 2.893 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.370 11.182 2.203 1.00 0.00 C ATOM 0 H LEU A 40 4.186 10.314 -0.876 1.00 0.00 H new ATOM 0 HA LEU A 40 2.242 12.371 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.159 12.194 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.917 13.181 1.208 1.00 0.00 H new ATOM 0 HG LEU A 40 3.955 10.149 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.553 10.375 3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.797 11.075 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.663 12.140 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.183 10.378 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.199 12.143 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.695 11.079 1.353 1.00 0.00 H new ATOM 613 N VAL A 41 2.837 14.045 -2.075 1.00 0.00 N ATOM 614 CA VAL A 41 3.169 15.128 -2.993 1.00 0.00 C ATOM 615 C VAL A 41 3.003 16.487 -2.322 1.00 0.00 C ATOM 616 O VAL A 41 2.083 16.691 -1.531 1.00 0.00 O ATOM 617 CB VAL A 41 2.290 15.082 -4.257 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.688 13.910 -5.141 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.819 15.000 -3.879 1.00 0.00 C ATOM 0 H VAL A 41 1.839 13.932 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 41 4.212 14.992 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 41 2.446 16.001 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.056 13.893 -6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.731 14.017 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.562 12.979 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.212 14.968 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.644 14.098 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.546 15.875 -3.289 1.00 0.00 H new ATOM 777 N MET A 52 -1.377 9.989 -2.357 1.00 0.00 N ATOM 778 CA MET A 52 -2.003 9.173 -3.390 1.00 0.00 C ATOM 779 C MET A 52 -2.048 7.707 -2.973 1.00 0.00 C ATOM 780 O MET A 52 -1.074 6.974 -3.143 1.00 0.00 O ATOM 781 CB MET A 52 -1.246 9.316 -4.712 1.00 0.00 C ATOM 782 CG MET A 52 -1.161 10.749 -5.212 1.00 0.00 C ATOM 783 SD MET A 52 -0.932 10.850 -6.997 1.00 0.00 S ATOM 784 CE MET A 52 -1.763 12.395 -7.359 1.00 0.00 C ATOM 0 HA MET A 52 -3.026 9.525 -3.525 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.237 8.923 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.736 8.704 -5.470 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.072 11.280 -4.936 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.334 11.255 -4.714 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.707 12.596 -8.429 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.808 12.325 -7.057 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.280 13.205 -6.812 1.00 0.00 H new ATOM 794 N TRP A 53 -3.183 7.286 -2.426 1.00 0.00 N ATOM 795 CA TRP A 53 -3.353 5.907 -1.983 1.00 0.00 C ATOM 796 C TRP A 53 -3.466 4.963 -3.176 1.00 0.00 C ATOM 797 O TRP A 53 -4.390 5.073 -3.980 1.00 0.00 O ATOM 798 CB TRP A 53 -4.595 5.783 -1.099 1.00 0.00 C ATOM 799 CG TRP A 53 -4.440 6.443 0.237 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.251 7.402 0.776 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.412 6.195 1.202 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.788 7.765 2.018 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.662 7.038 2.303 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.307 5.342 1.245 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.845 7.052 3.430 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.497 5.357 2.364 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.769 6.206 3.445 1.00 0.00 C ATOM 0 H TRP A 53 -3.999 7.880 -2.279 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.474 5.626 -1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.447 6.223 -1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.823 4.727 -0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.127 7.814 0.297 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.214 8.462 2.629 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.090 4.682 0.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.053 7.707 4.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.639 4.703 2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.117 6.193 4.306 1.00 0.00 H new ATOM 818 N ASN A 54 -2.520 4.036 -3.283 1.00 0.00 N ATOM 819 CA ASN A 54 -2.514 3.073 -4.378 1.00 0.00 C ATOM 820 C ASN A 54 -1.956 1.730 -3.918 1.00 0.00 C ATOM 821 O ASN A 54 -0.934 1.705 -3.233 1.00 0.00 O ATOM 822 CB ASN A 54 -1.689 3.607 -5.550 1.00 0.00 C ATOM 823 CG ASN A 54 -2.181 4.956 -6.036 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.221 5.052 -6.688 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.433 6.007 -5.721 1.00 0.00 N ATOM 0 H ASN A 54 -1.748 3.931 -2.625 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.543 2.926 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.645 3.691 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.726 2.892 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.713 6.941 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.578 5.881 -5.179 1.00 0.00 H new ATOM 832 N HIS A 55 -2.629 0.655 -4.301 1.00 0.00 N ATOM 833 CA HIS A 55 -2.190 -0.678 -3.923 1.00 0.00 C ATOM 834 C HIS A 55 -0.678 -0.797 -4.126 1.00 0.00 C ATOM 835 O HIS A 55 -0.113 -0.321 -5.110 1.00 0.00 O ATOM 836 CB HIS A 55 -2.977 -1.746 -4.684 1.00 0.00 C ATOM 837 CG HIS A 55 -4.461 -1.729 -4.409 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.382 -1.199 -5.296 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.174 -2.182 -3.338 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.592 -1.332 -4.772 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.461 -1.940 -3.558 1.00 0.00 N ATOM 0 H HIS A 55 -3.476 0.680 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.394 -0.846 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.815 -1.609 -5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.581 -2.728 -4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.166 -0.778 -6.199 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.762 -2.657 -2.460 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.519 -1.015 -5.226 1.00 0.00 H new ATOM 849 N ALA A 56 -0.032 -1.448 -3.165 1.00 0.00 N ATOM 850 CA ALA A 56 1.412 -1.648 -3.215 1.00 0.00 C ATOM 851 C ALA A 56 1.821 -2.383 -4.486 1.00 0.00 C ATOM 852 O ALA A 56 2.982 -2.343 -4.892 1.00 0.00 O ATOM 853 CB ALA A 56 1.881 -2.412 -1.986 1.00 0.00 C ATOM 0 H ALA A 56 -0.485 -1.846 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 56 1.890 -0.668 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.960 -2.554 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.631 -1.846 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.388 -3.384 -1.952 1.00 0.00 H new ATOM 859 N SER A 57 0.860 -3.056 -5.110 1.00 0.00 N ATOM 860 CA SER A 57 1.121 -3.806 -6.334 1.00 0.00 C ATOM 861 C SER A 57 0.787 -2.969 -7.565 1.00 0.00 C ATOM 862 O SER A 57 1.251 -3.255 -8.669 1.00 0.00 O ATOM 863 CB SER A 57 0.309 -5.102 -6.347 1.00 0.00 C ATOM 864 OG SER A 57 0.869 -6.045 -7.243 1.00 0.00 O ATOM 0 H SER A 57 -0.107 -3.098 -4.788 1.00 0.00 H new ATOM 0 HA SER A 57 2.183 -4.052 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.276 -5.525 -5.343 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.720 -4.887 -6.636 1.00 0.00 H new ATOM 0 HG SER A 57 0.333 -6.865 -7.232 1.00 0.00 H new ATOM 870 N CYS A 58 -0.022 -1.934 -7.367 1.00 0.00 N ATOM 871 CA CYS A 58 -0.421 -1.055 -8.459 1.00 0.00 C ATOM 872 C CYS A 58 0.690 -0.063 -8.793 1.00 0.00 C ATOM 873 O CYS A 58 0.792 0.412 -9.925 1.00 0.00 O ATOM 874 CB CYS A 58 -1.701 -0.300 -8.093 1.00 0.00 C ATOM 875 SG CYS A 58 -3.225 -1.275 -8.301 1.00 0.00 S ATOM 0 H CYS A 58 -0.414 -1.683 -6.459 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.610 -1.672 -9.338 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.632 0.029 -7.056 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.770 0.597 -8.708 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.569 -1.281 -9.555 1.00 0.00 H new ATOM 880 N ILE A 59 1.519 0.243 -7.801 1.00 0.00 N ATOM 881 CA ILE A 59 2.623 1.176 -7.990 1.00 0.00 C ATOM 882 C ILE A 59 3.881 0.452 -8.456 1.00 0.00 C ATOM 883 O ILE A 59 4.514 0.852 -9.435 1.00 0.00 O ATOM 884 CB ILE A 59 2.938 1.946 -6.693 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.700 2.705 -6.212 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.100 2.902 -6.914 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.349 3.897 -7.075 1.00 0.00 C ATOM 0 H ILE A 59 1.447 -0.141 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 59 2.309 1.885 -8.757 1.00 0.00 H new ATOM 0 HB ILE A 59 3.224 1.230 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.851 2.022 -6.188 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.866 3.043 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.311 3.439 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.983 2.338 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.841 3.615 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.461 4.387 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.181 4.601 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.151 3.563 -8.094 1.00 0.00 H new ATOM 899 N LEU A 60 4.238 -0.616 -7.752 1.00 0.00 N ATOM 900 CA LEU A 60 5.420 -1.398 -8.094 1.00 0.00 C ATOM 901 C LEU A 60 5.393 -1.811 -9.562 1.00 0.00 C ATOM 902 O LEU A 60 6.436 -1.917 -10.208 1.00 0.00 O ATOM 903 CB LEU A 60 5.510 -2.640 -7.205 1.00 0.00 C ATOM 904 CG LEU A 60 5.772 -2.385 -5.720 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.631 -3.673 -4.924 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.154 -1.780 -5.519 1.00 0.00 C ATOM 0 H LEU A 60 3.725 -0.960 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 60 6.298 -0.775 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.578 -3.197 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.304 -3.280 -7.589 1.00 0.00 H new ATOM 0 HG LEU A 60 5.030 -1.675 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.821 -3.472 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.621 -4.065 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.350 -4.407 -5.289 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.324 -1.605 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.911 -2.467 -5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.219 -0.834 -6.057 1.00 0.00 H new ATOM 918 N LYS A 61 4.194 -2.042 -10.085 1.00 0.00 N ATOM 919 CA LYS A 61 4.029 -2.440 -11.478 1.00 0.00 C ATOM 920 C LYS A 61 4.416 -1.302 -12.418 1.00 0.00 C ATOM 921 O LYS A 61 4.774 -1.532 -13.573 1.00 0.00 O ATOM 922 CB LYS A 61 2.582 -2.863 -11.741 1.00 0.00 C ATOM 923 CG LYS A 61 1.594 -1.711 -11.700 1.00 0.00 C ATOM 924 CD LYS A 61 0.418 -1.950 -12.632 1.00 0.00 C ATOM 925 CE LYS A 61 -0.762 -1.057 -12.282 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.991 -1.445 -13.027 1.00 0.00 N ATOM 0 H LYS A 61 3.321 -1.960 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 61 4.689 -3.286 -11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.525 -3.345 -12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.290 -3.608 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.230 -1.579 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.100 -0.787 -11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.724 -1.763 -13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.114 -2.995 -12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.954 -1.112 -11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.512 -0.020 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.773 -0.813 -12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.816 -1.368 -14.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.244 -2.426 -12.792 1.00 0.00 H new ATOM 940 N LYS A 62 4.343 -0.075 -11.915 1.00 0.00 N ATOM 941 CA LYS A 62 4.688 1.099 -12.708 1.00 0.00 C ATOM 942 C LYS A 62 6.200 1.290 -12.768 1.00 0.00 C ATOM 943 O LYS A 62 6.961 0.480 -12.237 1.00 0.00 O ATOM 944 CB LYS A 62 4.028 2.349 -12.121 1.00 0.00 C ATOM 945 CG LYS A 62 2.540 2.443 -12.409 1.00 0.00 C ATOM 946 CD LYS A 62 1.969 3.778 -11.960 1.00 0.00 C ATOM 947 CE LYS A 62 1.921 3.883 -10.444 1.00 0.00 C ATOM 948 NZ LYS A 62 1.611 5.268 -9.993 1.00 0.00 N ATOM 0 H LYS A 62 4.048 0.133 -10.961 1.00 0.00 H new ATOM 0 HA LYS A 62 4.319 0.943 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.182 2.358 -11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.524 3.233 -12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.366 2.312 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.018 1.633 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.577 4.588 -12.363 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.965 3.900 -12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.167 3.198 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.879 3.572 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.427 5.657 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.407 5.865 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.782 5.251 -9.365 1.00 0.00 H new ATOM 962 N THR A 63 6.631 2.367 -13.418 1.00 0.00 N ATOM 963 CA THR A 63 8.052 2.665 -13.546 1.00 0.00 C ATOM 964 C THR A 63 8.387 4.022 -12.938 1.00 0.00 C ATOM 965 O THR A 63 7.527 4.896 -12.833 1.00 0.00 O ATOM 966 CB THR A 63 8.497 2.651 -15.021 1.00 0.00 C ATOM 967 OG1 THR A 63 7.774 1.648 -15.742 1.00 0.00 O ATOM 968 CG2 THR A 63 9.991 2.386 -15.132 1.00 0.00 C ATOM 0 H THR A 63 6.016 3.047 -13.864 1.00 0.00 H new ATOM 0 HA THR A 63 8.589 1.886 -13.004 1.00 0.00 H new ATOM 0 HB THR A 63 8.284 3.630 -15.451 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.062 1.647 -16.679 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.283 2.381 -16.182 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.539 3.168 -14.607 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.223 1.419 -14.686 1.00 0.00 H new ATOM 976 N LYS A 64 9.643 4.192 -12.540 1.00 0.00 N ATOM 977 CA LYS A 64 10.093 5.444 -11.943 1.00 0.00 C ATOM 978 C LYS A 64 9.176 5.864 -10.799 1.00 0.00 C ATOM 979 O LYS A 64 8.753 7.017 -10.723 1.00 0.00 O ATOM 980 CB LYS A 64 10.144 6.548 -13.002 1.00 0.00 C ATOM 981 CG LYS A 64 11.268 6.376 -14.008 1.00 0.00 C ATOM 982 CD LYS A 64 11.720 7.711 -14.575 1.00 0.00 C ATOM 983 CE LYS A 64 12.350 7.549 -15.949 1.00 0.00 C ATOM 984 NZ LYS A 64 12.835 8.848 -16.493 1.00 0.00 N ATOM 0 H LYS A 64 10.368 3.479 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 64 11.094 5.286 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.193 6.574 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.257 7.511 -12.505 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.112 5.879 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.935 5.729 -14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.867 8.386 -14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.438 8.171 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.182 6.848 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.621 7.118 -16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.258 8.695 -17.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.037 9.509 -16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.550 9.248 -15.852 1.00 0.00 H new ATOM 998 N GLN A 65 8.874 4.920 -9.913 1.00 0.00 N ATOM 999 CA GLN A 65 8.007 5.194 -8.773 1.00 0.00 C ATOM 1000 C GLN A 65 8.827 5.418 -7.507 1.00 0.00 C ATOM 1001 O GLN A 65 8.674 6.435 -6.829 1.00 0.00 O ATOM 1002 CB GLN A 65 7.027 4.038 -8.562 1.00 0.00 C ATOM 1003 CG GLN A 65 6.081 3.821 -9.732 1.00 0.00 C ATOM 1004 CD GLN A 65 5.061 4.934 -9.873 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.353 5.267 -8.922 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.981 5.517 -11.063 1.00 0.00 N ATOM 0 H GLN A 65 9.216 3.960 -9.963 1.00 0.00 H new ATOM 0 HA GLN A 65 7.445 6.104 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.591 3.122 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.441 4.229 -7.663 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.660 3.745 -10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.561 2.872 -9.603 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.587 5.209 -11.823 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.313 6.273 -11.217 1.00 0.00 H new ATOM 1015 N ILE A 66 9.695 4.463 -7.193 1.00 0.00 N ATOM 1016 CA ILE A 66 10.540 4.558 -6.009 1.00 0.00 C ATOM 1017 C ILE A 66 12.003 4.301 -6.355 1.00 0.00 C ATOM 1018 O ILE A 66 12.317 3.431 -7.167 1.00 0.00 O ATOM 1019 CB ILE A 66 10.098 3.560 -4.922 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.590 3.665 -4.685 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.862 3.812 -3.630 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.037 2.558 -3.814 1.00 0.00 C ATOM 0 H ILE A 66 9.832 3.614 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 66 10.433 5.573 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 66 10.323 2.550 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.369 4.626 -4.221 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.077 3.650 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.539 3.099 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.930 3.691 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.665 4.826 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.963 2.696 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.226 1.594 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.523 2.585 -2.839 1.00 0.00 H new ATOM 1034 N LYS A 67 12.894 5.064 -5.732 1.00 0.00 N ATOM 1035 CA LYS A 67 14.326 4.919 -5.970 1.00 0.00 C ATOM 1036 C LYS A 67 14.924 3.855 -5.055 1.00 0.00 C ATOM 1037 O LYS A 67 15.697 3.006 -5.498 1.00 0.00 O ATOM 1038 CB LYS A 67 15.038 6.255 -5.750 1.00 0.00 C ATOM 1039 CG LYS A 67 16.302 6.414 -6.577 1.00 0.00 C ATOM 1040 CD LYS A 67 16.636 7.878 -6.810 1.00 0.00 C ATOM 1041 CE LYS A 67 17.721 8.041 -7.864 1.00 0.00 C ATOM 1042 NZ LYS A 67 17.223 7.712 -9.228 1.00 0.00 N ATOM 0 H LYS A 67 12.650 5.790 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 67 14.468 4.605 -7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.352 7.067 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.290 6.353 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.134 5.927 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.176 5.912 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.739 8.411 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.965 8.331 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.090 9.067 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.564 7.395 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.893 8.071 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.134 6.680 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.293 8.155 -9.374 1.00 0.00 H new ATOM 1056 N SER A 68 14.560 3.906 -3.778 1.00 0.00 N ATOM 1057 CA SER A 68 15.063 2.948 -2.800 1.00 0.00 C ATOM 1058 C SER A 68 14.119 2.844 -1.606 1.00 0.00 C ATOM 1059 O SER A 68 13.395 3.787 -1.288 1.00 0.00 O ATOM 1060 CB SER A 68 16.460 3.355 -2.327 1.00 0.00 C ATOM 1061 OG SER A 68 17.190 2.232 -1.867 1.00 0.00 O ATOM 0 H SER A 68 13.918 4.601 -3.396 1.00 0.00 H new ATOM 0 HA SER A 68 15.121 1.972 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.999 3.833 -3.145 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.376 4.091 -1.527 1.00 0.00 H new ATOM 0 HG SER A 68 18.080 2.519 -1.572 1.00 0.00 H new ATOM 1067 N VAL A 69 14.134 1.689 -0.948 1.00 0.00 N ATOM 1068 CA VAL A 69 13.281 1.460 0.212 1.00 0.00 C ATOM 1069 C VAL A 69 13.417 2.590 1.226 1.00 0.00 C ATOM 1070 O VAL A 69 12.486 2.880 1.978 1.00 0.00 O ATOM 1071 CB VAL A 69 13.617 0.124 0.901 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.083 -1.045 0.088 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.118 -0.004 1.112 1.00 0.00 C ATOM 0 H VAL A 69 14.727 0.898 -1.198 1.00 0.00 H new ATOM 0 HA VAL A 69 12.254 1.424 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 69 13.133 0.107 1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.330 -1.980 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.001 -0.958 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.535 -1.035 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.337 -0.954 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.626 0.034 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.468 0.816 1.739 1.00 0.00 H new ATOM 1083 N ASP A 70 14.583 3.226 1.242 1.00 0.00 N ATOM 1084 CA ASP A 70 14.842 4.327 2.163 1.00 0.00 C ATOM 1085 C ASP A 70 13.853 5.466 1.939 1.00 0.00 C ATOM 1086 O ASP A 70 13.515 6.200 2.869 1.00 0.00 O ATOM 1087 CB ASP A 70 16.274 4.836 1.993 1.00 0.00 C ATOM 1088 CG ASP A 70 16.375 5.947 0.966 1.00 0.00 C ATOM 1089 OD1 ASP A 70 15.845 7.047 1.229 1.00 0.00 O ATOM 1090 OD2 ASP A 70 16.982 5.717 -0.101 1.00 0.00 O ATOM 0 H ASP A 70 15.364 2.998 0.627 1.00 0.00 H new ATOM 0 HA ASP A 70 14.716 3.956 3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.645 5.197 2.952 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.918 4.009 1.694 1.00 0.00 H new ATOM 1095 N ASP A 71 13.394 5.609 0.701 1.00 0.00 N ATOM 1096 CA ASP A 71 12.444 6.660 0.355 1.00 0.00 C ATOM 1097 C ASP A 71 11.029 6.272 0.772 1.00 0.00 C ATOM 1098 O ASP A 71 10.082 7.036 0.582 1.00 0.00 O ATOM 1099 CB ASP A 71 12.486 6.941 -1.148 1.00 0.00 C ATOM 1100 CG ASP A 71 13.704 7.748 -1.552 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.118 8.629 -0.770 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.243 7.500 -2.651 1.00 0.00 O ATOM 0 H ASP A 71 13.664 5.011 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 71 12.728 7.564 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.483 5.996 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.584 7.479 -1.439 1.00 0.00 H new ATOM 1107 N VAL A 72 10.891 5.079 1.342 1.00 0.00 N ATOM 1108 CA VAL A 72 9.592 4.589 1.787 1.00 0.00 C ATOM 1109 C VAL A 72 9.504 4.569 3.309 1.00 0.00 C ATOM 1110 O VAL A 72 10.243 3.843 3.973 1.00 0.00 O ATOM 1111 CB VAL A 72 9.312 3.174 1.249 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.896 2.740 1.598 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.538 3.121 -0.255 1.00 0.00 C ATOM 0 H VAL A 72 11.664 4.434 1.506 1.00 0.00 H new ATOM 0 HA VAL A 72 8.843 5.275 1.392 1.00 0.00 H new ATOM 0 HB VAL A 72 10.007 2.481 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.717 1.738 1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.773 2.737 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.183 3.434 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.335 2.113 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.869 3.826 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.572 3.386 -0.477 1.00 0.00 H new ATOM 1123 N GLU A 73 8.595 5.371 3.854 1.00 0.00 N ATOM 1124 CA GLU A 73 8.410 5.444 5.299 1.00 0.00 C ATOM 1125 C GLU A 73 7.534 4.298 5.795 1.00 0.00 C ATOM 1126 O GLU A 73 6.815 3.671 5.018 1.00 0.00 O ATOM 1127 CB GLU A 73 7.783 6.785 5.688 1.00 0.00 C ATOM 1128 CG GLU A 73 7.610 6.964 7.187 1.00 0.00 C ATOM 1129 CD GLU A 73 7.086 8.339 7.553 1.00 0.00 C ATOM 1130 OE1 GLU A 73 5.954 8.671 7.143 1.00 0.00 O ATOM 1131 OE2 GLU A 73 7.808 9.082 8.250 1.00 0.00 O ATOM 0 H GLU A 73 7.976 5.979 3.318 1.00 0.00 H new ATOM 0 HA GLU A 73 9.390 5.359 5.769 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.406 7.593 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.810 6.875 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.923 6.206 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.567 6.800 7.682 1.00 0.00 H new ATOM 1138 N GLY A 74 7.601 4.029 7.096 1.00 0.00 N ATOM 1139 CA GLY A 74 6.810 2.959 7.674 1.00 0.00 C ATOM 1140 C GLY A 74 6.939 1.661 6.901 1.00 0.00 C ATOM 1141 O GLY A 74 6.043 0.817 6.939 1.00 0.00 O ATOM 0 H GLY A 74 8.189 4.533 7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.122 2.797 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.763 3.260 7.702 1.00 0.00 H new ATOM 1145 N ILE A 75 8.055 1.501 6.198 1.00 0.00 N ATOM 1146 CA ILE A 75 8.296 0.297 5.413 1.00 0.00 C ATOM 1147 C ILE A 75 8.672 -0.878 6.310 1.00 0.00 C ATOM 1148 O ILE A 75 8.475 -2.037 5.946 1.00 0.00 O ATOM 1149 CB ILE A 75 9.415 0.515 4.377 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.463 -0.655 3.392 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.757 0.684 5.074 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.392 -0.421 2.221 1.00 0.00 C ATOM 0 H ILE A 75 8.806 2.190 6.156 1.00 0.00 H new ATOM 0 HA ILE A 75 7.367 0.070 4.890 1.00 0.00 H new ATOM 0 HB ILE A 75 9.201 1.426 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.779 -1.553 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.458 -0.844 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.537 0.837 4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.716 1.547 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.981 -0.211 5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.376 -1.291 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.064 0.458 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.406 -0.262 2.587 1.00 0.00 H new ATOM 1164 N GLU A 76 9.213 -0.570 7.485 1.00 0.00 N ATOM 1165 CA GLU A 76 9.615 -1.601 8.434 1.00 0.00 C ATOM 1166 C GLU A 76 8.399 -2.195 9.139 1.00 0.00 C ATOM 1167 O GLU A 76 8.490 -3.242 9.781 1.00 0.00 O ATOM 1168 CB GLU A 76 10.585 -1.024 9.467 1.00 0.00 C ATOM 1169 CG GLU A 76 9.983 0.081 10.318 1.00 0.00 C ATOM 1170 CD GLU A 76 10.596 0.150 11.703 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.296 -0.738 12.529 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.375 1.091 11.962 1.00 0.00 O ATOM 0 H GLU A 76 9.383 0.385 7.802 1.00 0.00 H new ATOM 0 HA GLU A 76 10.116 -2.394 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.928 -1.827 10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.463 -0.636 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.122 1.038 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.909 -0.079 10.408 1.00 0.00 H new ATOM 1179 N SER A 77 7.261 -1.519 9.015 1.00 0.00 N ATOM 1180 CA SER A 77 6.028 -1.976 9.644 1.00 0.00 C ATOM 1181 C SER A 77 5.291 -2.962 8.742 1.00 0.00 C ATOM 1182 O SER A 77 4.400 -3.685 9.189 1.00 0.00 O ATOM 1183 CB SER A 77 5.121 -0.786 9.965 1.00 0.00 C ATOM 1184 OG SER A 77 3.894 -1.216 10.527 1.00 0.00 O ATOM 0 H SER A 77 7.168 -0.653 8.484 1.00 0.00 H new ATOM 0 HA SER A 77 6.290 -2.484 10.572 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.628 -0.116 10.660 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.928 -0.216 9.056 1.00 0.00 H new ATOM 0 HG SER A 77 3.334 -0.437 10.724 1.00 0.00 H new ATOM 1190 N LEU A 78 5.670 -2.985 7.469 1.00 0.00 N ATOM 1191 CA LEU A 78 5.047 -3.882 6.501 1.00 0.00 C ATOM 1192 C LEU A 78 5.560 -5.308 6.672 1.00 0.00 C ATOM 1193 O LEU A 78 6.685 -5.524 7.123 1.00 0.00 O ATOM 1194 CB LEU A 78 5.320 -3.396 5.077 1.00 0.00 C ATOM 1195 CG LEU A 78 5.199 -1.889 4.846 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.562 -1.538 3.412 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.792 -1.411 5.175 1.00 0.00 C ATOM 0 H LEU A 78 6.405 -2.393 7.083 1.00 0.00 H new ATOM 0 HA LEU A 78 3.972 -3.879 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.326 -3.707 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.629 -3.903 4.403 1.00 0.00 H new ATOM 0 HG LEU A 78 5.898 -1.381 5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.470 -0.462 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.588 -1.845 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.888 -2.055 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.724 -0.337 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.074 -1.926 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.569 -1.628 6.220 1.00 0.00 H new ATOM 1209 N ARG A 79 4.729 -6.278 6.306 1.00 0.00 N ATOM 1210 CA ARG A 79 5.098 -7.684 6.417 1.00 0.00 C ATOM 1211 C ARG A 79 6.328 -7.992 5.567 1.00 0.00 C ATOM 1212 O ARG A 79 6.508 -7.424 4.490 1.00 0.00 O ATOM 1213 CB ARG A 79 3.932 -8.576 5.987 1.00 0.00 C ATOM 1214 CG ARG A 79 2.977 -8.917 7.119 1.00 0.00 C ATOM 1215 CD ARG A 79 3.699 -9.602 8.269 1.00 0.00 C ATOM 1216 NE ARG A 79 2.798 -10.434 9.063 1.00 0.00 N ATOM 1217 CZ ARG A 79 3.091 -10.881 10.279 1.00 0.00 C ATOM 1218 NH1 ARG A 79 4.254 -10.577 10.838 1.00 0.00 N ATOM 1219 NH2 ARG A 79 2.220 -11.633 10.938 1.00 0.00 N ATOM 0 H ARG A 79 3.795 -6.116 5.930 1.00 0.00 H new ATOM 0 HA ARG A 79 5.337 -7.889 7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.377 -8.077 5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.328 -9.500 5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.498 -8.007 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.186 -9.567 6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.507 -10.218 7.874 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.156 -8.848 8.910 1.00 0.00 H new ATOM 0 HE ARG A 79 1.895 -10.685 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.926 -9.999 10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.477 -10.922 11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.324 -11.869 10.511 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.446 -11.976 11.872 1.00 0.00 H new ATOM 1233 N TRP A 80 7.170 -8.892 6.060 1.00 0.00 N ATOM 1234 CA TRP A 80 8.383 -9.275 5.346 1.00 0.00 C ATOM 1235 C TRP A 80 8.138 -9.323 3.842 1.00 0.00 C ATOM 1236 O TRP A 80 8.840 -8.672 3.069 1.00 0.00 O ATOM 1237 CB TRP A 80 8.882 -10.635 5.838 1.00 0.00 C ATOM 1238 CG TRP A 80 9.779 -11.329 4.857 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.016 -10.921 4.447 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.506 -12.551 4.163 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.529 -11.816 3.540 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.623 -12.825 3.349 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.429 -13.441 4.151 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 10.689 -13.951 2.533 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.497 -14.558 3.340 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.621 -14.806 2.541 1.00 0.00 C ATOM 0 H TRP A 80 7.036 -9.370 6.951 1.00 0.00 H new ATOM 0 HA TRP A 80 9.145 -8.522 5.547 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.419 -10.499 6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.025 -11.274 6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.517 -10.026 4.786 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.438 -11.741 3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.559 -13.259 4.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.554 -14.143 1.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.669 -15.252 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.645 -15.689 1.920 1.00 0.00 H new ATOM 1257 N GLU A 81 7.137 -10.098 3.435 1.00 0.00 N ATOM 1258 CA GLU A 81 6.801 -10.230 2.022 1.00 0.00 C ATOM 1259 C GLU A 81 6.624 -8.860 1.374 1.00 0.00 C ATOM 1260 O GLU A 81 7.103 -8.619 0.266 1.00 0.00 O ATOM 1261 CB GLU A 81 5.523 -11.054 1.854 1.00 0.00 C ATOM 1262 CG GLU A 81 4.253 -10.275 2.151 1.00 0.00 C ATOM 1263 CD GLU A 81 3.001 -11.113 1.978 1.00 0.00 C ATOM 1264 OE1 GLU A 81 2.458 -11.145 0.854 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.563 -11.737 2.968 1.00 0.00 O ATOM 0 H GLU A 81 6.546 -10.643 4.063 1.00 0.00 H new ATOM 0 HA GLU A 81 7.624 -10.744 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.477 -11.433 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.570 -11.921 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.294 -9.896 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.200 -9.409 1.492 1.00 0.00 H new ATOM 1272 N ASP A 82 5.933 -7.966 2.073 1.00 0.00 N ATOM 1273 CA ASP A 82 5.692 -6.620 1.568 1.00 0.00 C ATOM 1274 C ASP A 82 7.003 -5.854 1.417 1.00 0.00 C ATOM 1275 O ASP A 82 7.294 -5.308 0.353 1.00 0.00 O ATOM 1276 CB ASP A 82 4.749 -5.862 2.503 1.00 0.00 C ATOM 1277 CG ASP A 82 3.345 -6.435 2.498 1.00 0.00 C ATOM 1278 OD1 ASP A 82 2.965 -7.067 1.490 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.627 -6.252 3.503 1.00 0.00 O ATOM 0 H ASP A 82 5.530 -8.150 2.992 1.00 0.00 H new ATOM 0 HA ASP A 82 5.226 -6.705 0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.147 -5.891 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.712 -4.814 2.205 1.00 0.00 H new ATOM 1284 N GLN A 83 7.788 -5.818 2.489 1.00 0.00 N ATOM 1285 CA GLN A 83 9.066 -5.117 2.475 1.00 0.00 C ATOM 1286 C GLN A 83 9.948 -5.615 1.336 1.00 0.00 C ATOM 1287 O GLN A 83 10.741 -4.859 0.776 1.00 0.00 O ATOM 1288 CB GLN A 83 9.787 -5.301 3.812 1.00 0.00 C ATOM 1289 CG GLN A 83 8.961 -4.869 5.013 1.00 0.00 C ATOM 1290 CD GLN A 83 9.804 -4.662 6.256 1.00 0.00 C ATOM 1291 OE1 GLN A 83 10.838 -3.994 6.215 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.365 -5.234 7.371 1.00 0.00 N ATOM 0 H GLN A 83 7.562 -6.266 3.377 1.00 0.00 H new ATOM 0 HA GLN A 83 8.868 -4.056 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.059 -6.350 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.716 -4.731 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.437 -3.943 4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.200 -5.622 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.503 -5.779 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.890 -5.128 8.239 1.00 0.00 H new ATOM 1301 N GLN A 84 9.805 -6.893 0.998 1.00 0.00 N ATOM 1302 CA GLN A 84 10.590 -7.492 -0.075 1.00 0.00 C ATOM 1303 C GLN A 84 10.155 -6.954 -1.434 1.00 0.00 C ATOM 1304 O GLN A 84 10.981 -6.731 -2.319 1.00 0.00 O ATOM 1305 CB GLN A 84 10.451 -9.015 -0.048 1.00 0.00 C ATOM 1306 CG GLN A 84 10.923 -9.646 1.252 1.00 0.00 C ATOM 1307 CD GLN A 84 12.390 -10.029 1.215 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.198 -9.512 1.987 1.00 0.00 O ATOM 1309 NE2 GLN A 84 12.741 -10.941 0.316 1.00 0.00 N ATOM 0 H GLN A 84 9.153 -7.533 1.452 1.00 0.00 H new ATOM 0 HA GLN A 84 11.635 -7.227 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.406 -9.279 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.021 -9.438 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.754 -8.949 2.073 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.325 -10.533 1.459 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.038 -11.343 -0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.714 -11.239 0.245 1.00 0.00 H new ATOM 1318 N LYS A 85 8.852 -6.747 -1.593 1.00 0.00 N ATOM 1319 CA LYS A 85 8.306 -6.234 -2.844 1.00 0.00 C ATOM 1320 C LYS A 85 8.908 -4.874 -3.183 1.00 0.00 C ATOM 1321 O LYS A 85 8.994 -4.498 -4.352 1.00 0.00 O ATOM 1322 CB LYS A 85 6.783 -6.121 -2.751 1.00 0.00 C ATOM 1323 CG LYS A 85 6.080 -7.461 -2.614 1.00 0.00 C ATOM 1324 CD LYS A 85 4.573 -7.293 -2.516 1.00 0.00 C ATOM 1325 CE LYS A 85 3.942 -8.403 -1.689 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.456 -8.387 -1.783 1.00 0.00 N ATOM 0 H LYS A 85 8.154 -6.927 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 85 8.564 -6.934 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.525 -5.496 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.410 -5.614 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.322 -8.089 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.448 -7.977 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.342 -6.327 -2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.140 -7.292 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.317 -9.368 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.241 -8.294 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.063 -9.158 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.096 -7.476 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.169 -8.516 -2.774 1.00 0.00 H new ATOM 1340 N ILE A 86 9.323 -4.143 -2.155 1.00 0.00 N ATOM 1341 CA ILE A 86 9.919 -2.826 -2.345 1.00 0.00 C ATOM 1342 C ILE A 86 11.379 -2.940 -2.769 1.00 0.00 C ATOM 1343 O ILE A 86 11.743 -2.565 -3.884 1.00 0.00 O ATOM 1344 CB ILE A 86 9.833 -1.979 -1.062 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.446 -2.110 -0.430 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.145 -0.521 -1.368 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.377 -1.313 -1.145 1.00 0.00 C ATOM 0 H ILE A 86 9.258 -4.440 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 86 9.351 -2.333 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 86 10.572 -2.348 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.158 -3.161 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.497 -1.784 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.080 0.065 -0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.152 -0.443 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.427 -0.140 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.420 -1.454 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.642 -0.256 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.298 -1.655 -2.177 1.00 0.00 H new ATOM 1359 N ARG A 87 12.211 -3.461 -1.873 1.00 0.00 N ATOM 1360 CA ARG A 87 13.632 -3.625 -2.154 1.00 0.00 C ATOM 1361 C ARG A 87 13.843 -4.396 -3.454 1.00 0.00 C ATOM 1362 O ARG A 87 14.717 -4.059 -4.254 1.00 0.00 O ATOM 1363 CB ARG A 87 14.322 -4.353 -0.999 1.00 0.00 C ATOM 1364 CG ARG A 87 13.571 -5.585 -0.520 1.00 0.00 C ATOM 1365 CD ARG A 87 13.741 -5.794 0.976 1.00 0.00 C ATOM 1366 NE ARG A 87 14.840 -6.707 1.279 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.463 -6.744 2.452 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.096 -5.924 3.427 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.454 -7.603 2.651 1.00 0.00 N ATOM 0 H ARG A 87 11.925 -3.777 -0.946 1.00 0.00 H new ATOM 0 HA ARG A 87 14.072 -2.634 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.323 -4.648 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.440 -3.662 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.512 -5.481 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.932 -6.463 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.924 -4.834 1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.815 -6.189 1.394 1.00 0.00 H new ATOM 0 HE ARG A 87 15.146 -7.352 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.334 -5.263 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.576 -5.954 4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 87 16.738 -8.236 1.903 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.932 -7.631 3.552 1.00 0.00 H new ATOM 1383 N LYS A 88 13.038 -5.433 -3.658 1.00 0.00 N ATOM 1384 CA LYS A 88 13.136 -6.252 -4.860 1.00 0.00 C ATOM 1385 C LYS A 88 12.622 -5.493 -6.079 1.00 0.00 C ATOM 1386 O LYS A 88 12.588 -6.029 -7.187 1.00 0.00 O ATOM 1387 CB LYS A 88 12.343 -7.549 -4.684 1.00 0.00 C ATOM 1388 CG LYS A 88 12.733 -8.336 -3.444 1.00 0.00 C ATOM 1389 CD LYS A 88 13.842 -9.332 -3.742 1.00 0.00 C ATOM 1390 CE LYS A 88 13.290 -10.618 -4.338 1.00 0.00 C ATOM 1391 NZ LYS A 88 14.170 -11.785 -4.051 1.00 0.00 N ATOM 0 H LYS A 88 12.310 -5.726 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 88 14.187 -6.493 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.280 -7.312 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.489 -8.176 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.060 -7.649 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.861 -8.865 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.557 -8.886 -4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.385 -9.559 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.294 -10.806 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.182 -10.501 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.759 -12.642 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.113 -11.617 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.253 -11.912 -3.022 1.00 0.00 H new ATOM 1405 N TYR A 89 12.226 -4.243 -5.868 1.00 0.00 N ATOM 1406 CA TYR A 89 11.714 -3.410 -6.950 1.00 0.00 C ATOM 1407 C TYR A 89 12.636 -2.222 -7.206 1.00 0.00 C ATOM 1408 O TYR A 89 12.833 -1.809 -8.349 1.00 0.00 O ATOM 1409 CB TYR A 89 10.306 -2.914 -6.617 1.00 0.00 C ATOM 1410 CG TYR A 89 9.868 -1.730 -7.449 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.406 -1.902 -8.748 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.918 -0.440 -6.937 1.00 0.00 C ATOM 1413 CE1 TYR A 89 9.005 -0.823 -9.513 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.519 0.645 -7.694 1.00 0.00 C ATOM 1415 CZ TYR A 89 9.064 0.448 -8.981 1.00 0.00 C ATOM 1416 OH TYR A 89 8.666 1.526 -9.738 1.00 0.00 O ATOM 0 H TYR A 89 12.250 -3.784 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 89 11.674 -4.017 -7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.599 -3.731 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.266 -2.641 -5.563 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.359 -2.896 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.275 -0.282 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.648 -0.974 -10.521 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.563 1.642 -7.280 1.00 0.00 H new ATOM 0 HH TYR A 89 8.158 1.211 -10.514 1.00 0.00 H new ATOM 1426 N VAL A 90 13.200 -1.677 -6.133 1.00 0.00 N ATOM 1427 CA VAL A 90 14.104 -0.537 -6.240 1.00 0.00 C ATOM 1428 C VAL A 90 15.511 -0.985 -6.620 1.00 0.00 C ATOM 1429 O VAL A 90 16.329 -0.181 -7.064 1.00 0.00 O ATOM 1430 CB VAL A 90 14.167 0.254 -4.920 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.845 0.957 -4.655 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.533 -0.666 -3.765 1.00 0.00 C ATOM 0 H VAL A 90 13.047 -2.006 -5.180 1.00 0.00 H new ATOM 0 HA VAL A 90 13.708 0.109 -7.024 1.00 0.00 H new ATOM 0 HB VAL A 90 14.943 1.014 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.909 1.511 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.630 1.647 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.047 0.218 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.573 -0.091 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.782 -1.450 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.507 -1.117 -3.954 1.00 0.00 H new ATOM 1442 N GLU A 91 15.784 -2.274 -6.443 1.00 0.00 N ATOM 1443 CA GLU A 91 17.093 -2.828 -6.767 1.00 0.00 C ATOM 1444 C GLU A 91 17.073 -3.506 -8.134 1.00 0.00 C ATOM 1445 O GLU A 91 17.944 -3.267 -8.970 1.00 0.00 O ATOM 1446 CB GLU A 91 17.527 -3.830 -5.695 1.00 0.00 C ATOM 1447 CG GLU A 91 17.558 -3.246 -4.293 1.00 0.00 C ATOM 1448 CD GLU A 91 18.901 -2.634 -3.945 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.936 -3.216 -4.331 1.00 0.00 O ATOM 1450 OE2 GLU A 91 18.916 -1.573 -3.286 1.00 0.00 O ATOM 0 H GLU A 91 15.117 -2.953 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 91 17.809 -2.007 -6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.847 -4.682 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.518 -4.209 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.782 -2.486 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.322 -4.029 -3.572 1.00 0.00 H new