USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 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 44 CYS SG : rot 114:sc= -0.0436 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.237 USER MOD Set 1.3: A 69 MET CE :methyl -147:sc= -0.908 (180deg=-3.06!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.715 K(o=-0.71,f=0.15) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00563) USER MOD Single : A 21 ASN : amide:sc= -0.973 K(o=-0.97,f=-2.6) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 25 HIS : no HE2:sc= -3.02! C(o=-3!,f=-7!) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.00972) USER MOD Single : A 42 THR OG1 : rot 60:sc= 0.142 USER MOD Single : A 48 SER OG : rot -49:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.72) USER MOD Single : A 74 GLN : amide:sc=0.000159 X(o=0.00016,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 0.152 (180deg=-0.589!) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -52.522 21.497 -2.173 1.00 0.00 N ATOM 122 CA PRO A 9 -53.725 22.027 -1.492 1.00 0.00 C ATOM 123 C PRO A 9 -53.344 22.829 -0.238 1.00 0.00 C ATOM 124 O PRO A 9 -53.622 24.024 -0.145 1.00 0.00 O ATOM 125 CB PRO A 9 -54.531 20.766 -1.151 1.00 0.00 C ATOM 126 CG PRO A 9 -53.525 19.591 -1.156 1.00 0.00 C ATOM 127 CD PRO A 9 -52.343 20.034 -2.040 1.00 0.00 C ATOM 0 HA PRO A 9 -54.294 22.725 -2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -55.010 20.863 -0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -55.323 20.602 -1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -53.189 19.363 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -53.987 18.686 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -51.386 19.790 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -52.364 19.540 -3.011 1.00 0.00 H new ATOM 135 N ILE A 10 -52.701 22.208 0.719 1.00 0.00 N ATOM 136 CA ILE A 10 -52.293 22.947 1.959 1.00 0.00 C ATOM 137 C ILE A 10 -51.442 24.165 1.570 1.00 0.00 C ATOM 138 O ILE A 10 -51.725 25.292 1.976 1.00 0.00 O ATOM 139 CB ILE A 10 -51.483 22.014 2.871 1.00 0.00 C ATOM 140 CG1 ILE A 10 -52.369 20.854 3.332 1.00 0.00 C ATOM 141 CG2 ILE A 10 -50.998 22.783 4.101 1.00 0.00 C ATOM 142 CD1 ILE A 10 -51.509 19.608 3.544 1.00 0.00 C ATOM 0 H ILE A 10 -52.440 21.222 0.698 1.00 0.00 H new ATOM 0 HA ILE A 10 -53.182 23.284 2.493 1.00 0.00 H new ATOM 0 HB ILE A 10 -50.626 21.631 2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -52.880 21.118 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -53.141 20.654 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -50.424 22.116 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -50.367 23.614 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -51.857 23.168 4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -52.140 18.782 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -51.019 19.341 2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -50.754 19.812 4.303 1.00 0.00 H new ATOM 154 N SER A 11 -50.415 23.966 0.780 1.00 0.00 N ATOM 155 CA SER A 11 -49.556 25.119 0.357 1.00 0.00 C ATOM 156 C SER A 11 -50.427 26.204 -0.285 1.00 0.00 C ATOM 157 O SER A 11 -50.344 27.366 0.082 1.00 0.00 O ATOM 158 CB SER A 11 -48.508 24.650 -0.653 1.00 0.00 C ATOM 159 OG SER A 11 -48.047 23.353 -0.286 1.00 0.00 O ATOM 0 H SER A 11 -50.134 23.058 0.410 1.00 0.00 H new ATOM 0 HA SER A 11 -49.053 25.524 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 11 -48.937 24.626 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 11 -47.674 25.351 -0.680 1.00 0.00 H new ATOM 0 HG SER A 11 -47.376 23.049 -0.933 1.00 0.00 H new ATOM 165 N GLN A 12 -51.266 25.848 -1.229 1.00 0.00 N ATOM 166 CA GLN A 12 -52.142 26.872 -1.884 1.00 0.00 C ATOM 167 C GLN A 12 -52.935 27.653 -0.823 1.00 0.00 C ATOM 168 O GLN A 12 -53.000 28.879 -0.865 1.00 0.00 O ATOM 169 CB GLN A 12 -53.115 26.181 -2.841 1.00 0.00 C ATOM 170 CG GLN A 12 -52.558 26.239 -4.270 1.00 0.00 C ATOM 171 CD GLN A 12 -53.454 25.423 -5.201 1.00 0.00 C ATOM 172 OE1 GLN A 12 -54.062 25.959 -6.116 1.00 0.00 O ATOM 173 NE2 GLN A 12 -53.569 24.145 -5.016 1.00 0.00 N ATOM 0 H GLN A 12 -51.382 24.895 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 12 -51.513 27.567 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -53.263 25.144 -2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -54.089 26.668 -2.799 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -52.508 27.273 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -51.541 25.847 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -53.064 23.693 -4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -54.165 23.592 -5.632 1.00 0.00 H new ATOM 182 N VAL A 13 -53.533 26.977 0.128 1.00 0.00 N ATOM 183 CA VAL A 13 -54.308 27.706 1.188 1.00 0.00 C ATOM 184 C VAL A 13 -53.367 28.653 1.938 1.00 0.00 C ATOM 185 O VAL A 13 -53.693 29.813 2.185 1.00 0.00 O ATOM 186 CB VAL A 13 -54.931 26.712 2.179 1.00 0.00 C ATOM 187 CG1 VAL A 13 -55.925 27.448 3.078 1.00 0.00 C ATOM 188 CG2 VAL A 13 -55.675 25.612 1.422 1.00 0.00 C ATOM 0 H VAL A 13 -53.520 25.961 0.219 1.00 0.00 H new ATOM 0 HA VAL A 13 -55.108 28.274 0.714 1.00 0.00 H new ATOM 0 HB VAL A 13 -54.137 26.268 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -56.369 26.744 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -55.406 28.233 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -56.710 27.892 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -56.113 24.913 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -56.465 26.057 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -54.978 25.081 0.774 1.00 0.00 H new ATOM 198 N HIS A 14 -52.198 28.190 2.287 1.00 0.00 N ATOM 199 CA HIS A 14 -51.228 29.070 2.994 1.00 0.00 C ATOM 200 C HIS A 14 -50.817 30.212 2.049 1.00 0.00 C ATOM 201 O HIS A 14 -50.704 31.370 2.454 1.00 0.00 O ATOM 202 CB HIS A 14 -49.998 28.242 3.382 1.00 0.00 C ATOM 203 CG HIS A 14 -50.310 27.399 4.589 1.00 0.00 C ATOM 204 ND1 HIS A 14 -49.700 27.614 5.812 1.00 0.00 N ATOM 205 CD2 HIS A 14 -51.162 26.338 4.778 1.00 0.00 C ATOM 206 CE1 HIS A 14 -50.188 26.703 6.676 1.00 0.00 C ATOM 207 NE2 HIS A 14 -51.083 25.901 6.096 1.00 0.00 N ATOM 0 H HIS A 14 -51.873 27.239 2.112 1.00 0.00 H new ATOM 0 HA HIS A 14 -51.678 29.489 3.894 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -49.700 27.605 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -49.157 28.902 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -51.797 25.908 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -49.891 26.631 7.712 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -51.598 25.133 6.526 1.00 0.00 H new ATOM 215 N GLU A 15 -50.607 29.898 0.796 1.00 0.00 N ATOM 216 CA GLU A 15 -50.211 30.929 -0.211 1.00 0.00 C ATOM 217 C GLU A 15 -51.323 31.979 -0.370 1.00 0.00 C ATOM 218 O GLU A 15 -51.073 33.177 -0.274 1.00 0.00 O ATOM 219 CB GLU A 15 -49.960 30.243 -1.562 1.00 0.00 C ATOM 220 CG GLU A 15 -48.659 29.427 -1.496 1.00 0.00 C ATOM 221 CD GLU A 15 -47.473 30.298 -1.912 1.00 0.00 C ATOM 222 OE1 GLU A 15 -47.047 31.103 -1.106 1.00 0.00 O ATOM 223 OE2 GLU A 15 -47.014 30.146 -3.032 1.00 0.00 O ATOM 0 H GLU A 15 -50.695 28.953 0.422 1.00 0.00 H new ATOM 0 HA GLU A 15 -49.304 31.428 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -50.797 29.591 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -49.892 30.990 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -48.507 29.051 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -48.731 28.559 -2.151 1.00 0.00 H new ATOM 230 N ILE A 16 -52.548 31.566 -0.609 1.00 0.00 N ATOM 231 CA ILE A 16 -53.653 32.564 -0.774 1.00 0.00 C ATOM 232 C ILE A 16 -53.765 33.440 0.484 1.00 0.00 C ATOM 233 O ILE A 16 -54.105 34.622 0.405 1.00 0.00 O ATOM 234 CB ILE A 16 -54.982 31.842 -1.037 1.00 0.00 C ATOM 235 CG1 ILE A 16 -55.313 30.889 0.112 1.00 0.00 C ATOM 236 CG2 ILE A 16 -54.885 31.040 -2.336 1.00 0.00 C ATOM 237 CD1 ILE A 16 -56.824 30.874 0.339 1.00 0.00 C ATOM 0 H ILE A 16 -52.827 30.589 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 16 -53.426 33.203 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 16 -55.770 32.591 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -54.959 29.885 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -54.801 31.205 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -55.830 30.529 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -54.670 31.715 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -54.085 30.304 -2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -57.062 30.195 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -57.164 31.879 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -57.325 30.537 -0.569 1.00 0.00 H new ATOM 249 N GLY A 17 -53.471 32.896 1.639 1.00 0.00 N ATOM 250 CA GLY A 17 -53.543 33.704 2.894 1.00 0.00 C ATOM 251 C GLY A 17 -52.302 34.600 2.991 1.00 0.00 C ATOM 252 O GLY A 17 -52.394 35.780 3.322 1.00 0.00 O ATOM 0 H GLY A 17 -53.184 31.926 1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -54.447 34.313 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -53.600 33.046 3.761 1.00 0.00 H new ATOM 256 N ILE A 18 -51.145 34.061 2.703 1.00 0.00 N ATOM 257 CA ILE A 18 -49.881 34.868 2.769 1.00 0.00 C ATOM 258 C ILE A 18 -49.824 35.864 1.596 1.00 0.00 C ATOM 259 O ILE A 18 -49.439 37.019 1.768 1.00 0.00 O ATOM 260 CB ILE A 18 -48.679 33.913 2.710 1.00 0.00 C ATOM 261 CG1 ILE A 18 -48.605 33.114 4.011 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.379 34.702 2.541 1.00 0.00 C ATOM 263 CD1 ILE A 18 -47.757 31.864 3.787 1.00 0.00 C ATOM 0 H ILE A 18 -51.017 33.089 2.422 1.00 0.00 H new ATOM 0 HA ILE A 18 -49.856 35.433 3.701 1.00 0.00 H new ATOM 0 HB ILE A 18 -48.805 33.242 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -48.171 33.725 4.802 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -49.607 32.834 4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.537 34.011 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -47.420 35.278 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -47.252 35.380 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -47.702 31.291 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -48.211 31.251 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -46.753 32.156 3.480 1.00 0.00 H new ATOM 275 N LYS A 19 -50.198 35.441 0.413 1.00 0.00 N ATOM 276 CA LYS A 19 -50.167 36.359 -0.775 1.00 0.00 C ATOM 277 C LYS A 19 -51.014 37.614 -0.507 1.00 0.00 C ATOM 278 O LYS A 19 -50.699 38.703 -0.986 1.00 0.00 O ATOM 279 CB LYS A 19 -50.730 35.625 -1.996 1.00 0.00 C ATOM 280 CG LYS A 19 -49.873 35.940 -3.223 1.00 0.00 C ATOM 281 CD LYS A 19 -50.782 36.296 -4.405 1.00 0.00 C ATOM 282 CE LYS A 19 -50.060 37.274 -5.333 1.00 0.00 C ATOM 283 NZ LYS A 19 -48.977 36.548 -6.060 1.00 0.00 N ATOM 0 H LYS A 19 -50.525 34.495 0.216 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.136 36.660 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -50.741 34.550 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -51.762 35.929 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -49.200 36.769 -3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -49.251 35.081 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -51.054 35.393 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -51.709 36.740 -4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -50.764 37.708 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -49.639 38.098 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -48.515 37.195 -6.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -48.275 36.197 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -49.386 35.745 -6.580 1.00 0.00 H new ATOM 297 N ARG A 20 -52.080 37.481 0.239 1.00 0.00 N ATOM 298 CA ARG A 20 -52.943 38.664 0.538 1.00 0.00 C ATOM 299 C ARG A 20 -52.545 39.249 1.906 1.00 0.00 C ATOM 300 O ARG A 20 -51.915 40.302 1.985 1.00 0.00 O ATOM 301 CB ARG A 20 -54.420 38.232 0.554 1.00 0.00 C ATOM 302 CG ARG A 20 -55.009 38.350 -0.859 1.00 0.00 C ATOM 303 CD ARG A 20 -56.245 37.449 -0.986 1.00 0.00 C ATOM 304 NE ARG A 20 -57.481 38.294 -0.990 1.00 0.00 N ATOM 305 CZ ARG A 20 -58.586 37.839 -1.485 1.00 0.00 C ATOM 306 NH1 ARG A 20 -58.849 37.990 -2.732 1.00 0.00 N ATOM 307 NH2 ARG A 20 -59.427 37.238 -0.730 1.00 0.00 N ATOM 0 H ARG A 20 -52.391 36.603 0.655 1.00 0.00 H new ATOM 0 HA ARG A 20 -52.807 39.425 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -54.505 37.205 0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -54.984 38.856 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -55.280 39.386 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -54.262 38.064 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -56.189 36.864 -1.904 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -56.279 36.741 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 20 -57.451 39.236 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -58.185 38.471 -3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -59.722 37.629 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -59.226 37.118 0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -60.298 36.880 -1.121 1.00 0.00 H new ATOM 321 N ASN A 21 -52.900 38.580 2.981 1.00 0.00 N ATOM 322 CA ASN A 21 -52.551 39.074 4.358 1.00 0.00 C ATOM 323 C ASN A 21 -53.354 38.287 5.413 1.00 0.00 C ATOM 324 O ASN A 21 -54.028 38.864 6.267 1.00 0.00 O ATOM 325 CB ASN A 21 -52.875 40.573 4.484 1.00 0.00 C ATOM 326 CG ASN A 21 -54.166 40.912 3.732 1.00 0.00 C ATOM 327 OD1 ASN A 21 -55.138 40.167 3.775 1.00 0.00 O ATOM 328 ND2 ASN A 21 -54.226 42.005 3.036 1.00 0.00 N ATOM 0 H ASN A 21 -53.422 37.704 2.964 1.00 0.00 H new ATOM 0 HA ASN A 21 -51.484 38.924 4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -52.980 40.841 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -52.050 41.163 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -55.079 42.240 2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -53.420 42.629 2.996 1.00 0.00 H new ATOM 335 N MET A 22 -53.305 36.980 5.367 1.00 0.00 N ATOM 336 CA MET A 22 -54.080 36.167 6.355 1.00 0.00 C ATOM 337 C MET A 22 -53.244 34.981 6.860 1.00 0.00 C ATOM 338 O MET A 22 -52.754 34.164 6.082 1.00 0.00 O ATOM 339 CB MET A 22 -55.348 35.647 5.671 1.00 0.00 C ATOM 340 CG MET A 22 -56.342 36.798 5.498 1.00 0.00 C ATOM 341 SD MET A 22 -58.025 36.187 5.753 1.00 0.00 S ATOM 342 CE MET A 22 -58.739 37.745 6.332 1.00 0.00 C ATOM 0 H MET A 22 -52.764 36.441 4.691 1.00 0.00 H new ATOM 0 HA MET A 22 -54.338 36.791 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 22 -55.100 35.217 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 22 -55.796 34.852 6.267 1.00 0.00 H new ATOM 0 HG2 MET A 22 -56.121 37.593 6.210 1.00 0.00 H new ATOM 0 HG3 MET A 22 -56.247 37.227 4.501 1.00 0.00 H new ATOM 0 HE1 MET A 22 -59.796 37.600 6.554 1.00 0.00 H new ATOM 0 HE2 MET A 22 -58.220 38.070 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 22 -58.632 38.504 5.558 1.00 0.00 H new ATOM 352 N THR A 23 -53.089 34.864 8.154 1.00 0.00 N ATOM 353 CA THR A 23 -52.304 33.726 8.729 1.00 0.00 C ATOM 354 C THR A 23 -53.047 32.412 8.467 1.00 0.00 C ATOM 355 O THR A 23 -54.213 32.263 8.827 1.00 0.00 O ATOM 356 CB THR A 23 -52.152 33.923 10.244 1.00 0.00 C ATOM 357 OG1 THR A 23 -53.083 34.901 10.686 1.00 0.00 O ATOM 358 CG2 THR A 23 -50.738 34.403 10.564 1.00 0.00 C ATOM 0 H THR A 23 -53.474 35.511 8.842 1.00 0.00 H new ATOM 0 HA THR A 23 -51.320 33.693 8.262 1.00 0.00 H new ATOM 0 HB THR A 23 -52.338 32.975 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 23 -52.990 35.028 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 23 -50.636 34.541 11.640 1.00 0.00 H new ATOM 0 HG22 THR A 23 -50.016 33.661 10.223 1.00 0.00 H new ATOM 0 HG23 THR A 23 -50.552 35.350 10.057 1.00 0.00 H new ATOM 366 N VAL A 24 -52.405 31.461 7.843 1.00 0.00 N ATOM 367 CA VAL A 24 -53.083 30.157 7.557 1.00 0.00 C ATOM 368 C VAL A 24 -52.531 29.072 8.489 1.00 0.00 C ATOM 369 O VAL A 24 -51.330 28.784 8.498 1.00 0.00 O ATOM 370 CB VAL A 24 -52.836 29.757 6.097 1.00 0.00 C ATOM 371 CG1 VAL A 24 -53.673 28.524 5.756 1.00 0.00 C ATOM 372 CG2 VAL A 24 -53.243 30.905 5.171 1.00 0.00 C ATOM 0 H VAL A 24 -51.441 31.528 7.518 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.155 30.264 7.725 1.00 0.00 H new ATOM 0 HB VAL A 24 -51.777 29.535 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -53.497 28.240 4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -53.390 27.700 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.730 28.752 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -53.066 30.617 4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -54.301 31.127 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -52.652 31.790 5.407 1.00 0.00 H new ATOM 382 N HIS A 25 -53.377 28.466 9.281 1.00 0.00 N ATOM 383 CA HIS A 25 -52.896 27.404 10.220 1.00 0.00 C ATOM 384 C HIS A 25 -53.823 26.178 10.155 1.00 0.00 C ATOM 385 O HIS A 25 -55.036 26.282 10.338 1.00 0.00 O ATOM 386 CB HIS A 25 -52.870 27.961 11.653 1.00 0.00 C ATOM 387 CG HIS A 25 -52.130 29.274 11.686 1.00 0.00 C ATOM 388 ND1 HIS A 25 -50.951 29.477 10.989 1.00 0.00 N ATOM 389 CD2 HIS A 25 -52.386 30.456 12.336 1.00 0.00 C ATOM 390 CE1 HIS A 25 -50.543 30.736 11.236 1.00 0.00 C ATOM 391 NE2 HIS A 25 -51.382 31.376 12.051 1.00 0.00 N ATOM 0 H HIS A 25 -54.378 28.658 9.320 1.00 0.00 H new ATOM 0 HA HIS A 25 -51.891 27.099 9.929 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -53.888 28.100 12.016 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -52.388 27.246 12.320 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -50.477 28.796 10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -53.238 30.643 12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -49.646 31.174 10.824 1.00 0.00 H new ATOM 399 N PHE A 26 -53.269 25.019 9.903 1.00 0.00 N ATOM 400 CA PHE A 26 -54.097 23.770 9.827 1.00 0.00 C ATOM 401 C PHE A 26 -53.717 22.831 10.984 1.00 0.00 C ATOM 402 O PHE A 26 -52.560 22.782 11.408 1.00 0.00 O ATOM 403 CB PHE A 26 -53.820 23.063 8.493 1.00 0.00 C ATOM 404 CG PHE A 26 -54.740 23.598 7.420 1.00 0.00 C ATOM 405 CD1 PHE A 26 -54.657 24.939 7.028 1.00 0.00 C ATOM 406 CD2 PHE A 26 -55.673 22.750 6.814 1.00 0.00 C ATOM 407 CE1 PHE A 26 -55.506 25.431 6.030 1.00 0.00 C ATOM 408 CE2 PHE A 26 -56.523 23.242 5.816 1.00 0.00 C ATOM 409 CZ PHE A 26 -56.439 24.583 5.424 1.00 0.00 C ATOM 0 H PHE A 26 -52.271 24.880 9.745 1.00 0.00 H new ATOM 0 HA PHE A 26 -55.154 24.028 9.898 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -52.781 23.215 8.201 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -53.966 21.989 8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -53.937 25.595 7.496 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -55.738 21.715 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -55.441 26.466 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -57.243 22.587 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 26 -57.094 24.963 4.654 1.00 0.00 H new ATOM 419 N LYS A 27 -54.658 22.084 11.507 1.00 0.00 N ATOM 420 CA LYS A 27 -54.330 21.153 12.634 1.00 0.00 C ATOM 421 C LYS A 27 -55.482 20.164 12.872 1.00 0.00 C ATOM 422 O LYS A 27 -56.654 20.493 12.704 1.00 0.00 O ATOM 423 CB LYS A 27 -54.090 21.970 13.908 1.00 0.00 C ATOM 424 CG LYS A 27 -53.134 21.209 14.833 1.00 0.00 C ATOM 425 CD LYS A 27 -52.959 21.984 16.143 1.00 0.00 C ATOM 426 CE LYS A 27 -52.085 23.218 15.907 1.00 0.00 C ATOM 427 NZ LYS A 27 -50.647 22.809 15.901 1.00 0.00 N ATOM 0 H LYS A 27 -55.633 22.077 11.206 1.00 0.00 H new ATOM 0 HA LYS A 27 -53.434 20.589 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -53.669 22.943 13.654 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -55.036 22.154 14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -53.526 20.213 15.038 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -52.168 21.077 14.345 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -53.932 22.286 16.530 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -52.502 21.343 16.896 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -52.346 23.687 14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -52.262 23.958 16.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -50.099 23.460 16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -50.560 21.841 16.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -50.281 22.841 14.928 1.00 0.00 H new ATOM 441 N VAL A 28 -55.169 18.960 13.276 1.00 0.00 N ATOM 442 CA VAL A 28 -56.240 17.950 13.546 1.00 0.00 C ATOM 443 C VAL A 28 -56.703 18.093 15.004 1.00 0.00 C ATOM 444 O VAL A 28 -55.946 18.525 15.874 1.00 0.00 O ATOM 445 CB VAL A 28 -55.683 16.538 13.300 1.00 0.00 C ATOM 446 CG1 VAL A 28 -56.655 15.485 13.835 1.00 0.00 C ATOM 447 CG2 VAL A 28 -55.499 16.318 11.797 1.00 0.00 C ATOM 0 H VAL A 28 -54.216 18.630 13.431 1.00 0.00 H new ATOM 0 HA VAL A 28 -57.088 18.114 12.881 1.00 0.00 H new ATOM 0 HB VAL A 28 -54.727 16.444 13.815 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -56.249 14.490 13.655 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -56.796 15.631 14.906 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -57.614 15.583 13.326 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -55.104 15.317 11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -56.460 16.422 11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -54.801 17.057 11.404 1.00 0.00 H new ATOM 457 N LEU A 29 -57.933 17.755 15.289 1.00 0.00 N ATOM 458 CA LEU A 29 -58.441 17.886 16.695 1.00 0.00 C ATOM 459 C LEU A 29 -58.404 16.525 17.401 1.00 0.00 C ATOM 460 O LEU A 29 -58.178 16.440 18.609 1.00 0.00 O ATOM 461 CB LEU A 29 -59.885 18.418 16.690 1.00 0.00 C ATOM 462 CG LEU A 29 -60.122 19.321 15.476 1.00 0.00 C ATOM 463 CD1 LEU A 29 -61.561 19.827 15.494 1.00 0.00 C ATOM 464 CD2 LEU A 29 -59.174 20.519 15.530 1.00 0.00 C ATOM 0 H LEU A 29 -58.609 17.395 14.615 1.00 0.00 H new ATOM 0 HA LEU A 29 -57.800 18.587 17.230 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -60.586 17.583 16.672 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -60.076 18.975 17.607 1.00 0.00 H new ATOM 0 HG LEU A 29 -59.939 18.751 14.565 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -61.731 20.470 14.631 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -62.245 18.979 15.456 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -61.736 20.394 16.408 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -59.346 21.159 14.664 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -59.356 21.087 16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -58.142 20.167 15.522 1.00 0.00 H new ATOM 476 N ARG A 30 -58.631 15.458 16.683 1.00 0.00 N ATOM 477 CA ARG A 30 -58.614 14.113 17.334 1.00 0.00 C ATOM 478 C ARG A 30 -58.180 13.021 16.343 1.00 0.00 C ATOM 479 O ARG A 30 -58.950 12.600 15.480 1.00 0.00 O ATOM 480 CB ARG A 30 -60.019 13.798 17.863 1.00 0.00 C ATOM 481 CG ARG A 30 -59.917 12.870 19.078 1.00 0.00 C ATOM 482 CD ARG A 30 -59.394 13.657 20.282 1.00 0.00 C ATOM 483 NE ARG A 30 -58.542 12.761 21.122 1.00 0.00 N ATOM 484 CZ ARG A 30 -58.518 12.899 22.403 1.00 0.00 C ATOM 485 NH1 ARG A 30 -57.663 13.695 22.946 1.00 0.00 N ATOM 486 NH2 ARG A 30 -59.351 12.243 23.134 1.00 0.00 N ATOM 0 H ARG A 30 -58.826 15.457 15.682 1.00 0.00 H new ATOM 0 HA ARG A 30 -57.895 14.130 18.153 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -60.529 14.721 18.140 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -60.615 13.326 17.082 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -60.894 12.444 19.306 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -59.249 12.037 18.857 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -58.816 14.518 19.946 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -60.227 14.042 20.870 1.00 0.00 H new ATOM 0 HE ARG A 30 -57.977 12.037 20.679 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -57.007 14.214 22.362 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -57.642 13.806 23.960 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -60.028 11.616 22.699 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -59.334 12.350 24.148 1.00 0.00 H new ATOM 631 N PHE A 40 -59.007 12.385 10.448 1.00 0.00 N ATOM 632 CA PHE A 40 -60.183 12.534 11.363 1.00 0.00 C ATOM 633 C PHE A 40 -60.609 14.017 11.428 1.00 0.00 C ATOM 634 O PHE A 40 -60.415 14.772 10.471 1.00 0.00 O ATOM 635 CB PHE A 40 -59.810 12.005 12.758 1.00 0.00 C ATOM 636 CG PHE A 40 -59.265 10.598 12.637 1.00 0.00 C ATOM 637 CD1 PHE A 40 -60.142 9.518 12.482 1.00 0.00 C ATOM 638 CD2 PHE A 40 -57.884 10.375 12.679 1.00 0.00 C ATOM 639 CE1 PHE A 40 -59.638 8.216 12.371 1.00 0.00 C ATOM 640 CE2 PHE A 40 -57.380 9.073 12.568 1.00 0.00 C ATOM 641 CZ PHE A 40 -58.257 7.994 12.414 1.00 0.00 C ATOM 0 HA PHE A 40 -61.025 11.955 10.984 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -59.066 12.656 13.218 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -60.686 12.012 13.407 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -61.208 9.689 12.448 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -57.206 11.208 12.797 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -60.315 7.383 12.252 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -56.314 8.902 12.601 1.00 0.00 H new ATOM 0 HZ PHE A 40 -57.868 6.990 12.328 1.00 0.00 H new ATOM 651 N ILE A 41 -61.195 14.452 12.518 1.00 0.00 N ATOM 652 CA ILE A 41 -61.641 15.885 12.614 1.00 0.00 C ATOM 653 C ILE A 41 -60.454 16.830 12.386 1.00 0.00 C ATOM 654 O ILE A 41 -59.568 16.969 13.234 1.00 0.00 O ATOM 655 CB ILE A 41 -62.246 16.171 13.994 1.00 0.00 C ATOM 656 CG1 ILE A 41 -63.174 15.029 14.412 1.00 0.00 C ATOM 657 CG2 ILE A 41 -63.058 17.464 13.930 1.00 0.00 C ATOM 658 CD1 ILE A 41 -62.464 14.138 15.430 1.00 0.00 C ATOM 0 H ILE A 41 -61.384 13.883 13.343 1.00 0.00 H new ATOM 0 HA ILE A 41 -62.396 16.053 11.846 1.00 0.00 H new ATOM 0 HB ILE A 41 -61.438 16.265 14.720 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -64.091 15.431 14.843 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -63.462 14.443 13.539 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -63.490 17.671 14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -62.407 18.288 13.639 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -63.857 17.356 13.196 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -63.127 13.325 15.727 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -61.560 13.725 14.983 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -62.198 14.728 16.307 1.00 0.00 H new ATOM 670 N THR A 42 -60.426 17.490 11.261 1.00 0.00 N ATOM 671 CA THR A 42 -59.308 18.439 10.964 1.00 0.00 C ATOM 672 C THR A 42 -59.839 19.877 11.018 1.00 0.00 C ATOM 673 O THR A 42 -60.958 20.156 10.590 1.00 0.00 O ATOM 674 CB THR A 42 -58.752 18.149 9.562 1.00 0.00 C ATOM 675 OG1 THR A 42 -58.221 16.827 9.515 1.00 0.00 O ATOM 676 CG2 THR A 42 -57.638 19.140 9.229 1.00 0.00 C ATOM 0 H THR A 42 -61.132 17.414 10.529 1.00 0.00 H new ATOM 0 HA THR A 42 -58.514 18.315 11.701 1.00 0.00 H new ATOM 0 HB THR A 42 -59.561 18.247 8.838 1.00 0.00 H new ATOM 0 HG1 THR A 42 -58.930 16.182 9.721 1.00 0.00 H new ATOM 0 HG21 THR A 42 -57.248 18.928 8.233 1.00 0.00 H new ATOM 0 HG22 THR A 42 -58.034 20.155 9.255 1.00 0.00 H new ATOM 0 HG23 THR A 42 -56.836 19.045 9.960 1.00 0.00 H new ATOM 684 N ALA A 43 -59.065 20.792 11.532 1.00 0.00 N ATOM 685 CA ALA A 43 -59.524 22.212 11.612 1.00 0.00 C ATOM 686 C ALA A 43 -58.500 23.130 10.925 1.00 0.00 C ATOM 687 O ALA A 43 -57.317 22.798 10.808 1.00 0.00 O ATOM 688 CB ALA A 43 -59.675 22.609 13.083 1.00 0.00 C ATOM 0 H ALA A 43 -58.130 20.619 11.902 1.00 0.00 H new ATOM 0 HA ALA A 43 -60.484 22.315 11.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -60.010 23.644 13.148 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -60.408 21.960 13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -58.715 22.506 13.588 1.00 0.00 H new ATOM 694 N CYS A 44 -58.932 24.274 10.466 1.00 0.00 N ATOM 695 CA CYS A 44 -57.991 25.214 9.783 1.00 0.00 C ATOM 696 C CYS A 44 -58.398 26.667 10.056 1.00 0.00 C ATOM 697 O CYS A 44 -59.581 26.992 10.176 1.00 0.00 O ATOM 698 CB CYS A 44 -58.018 24.958 8.271 1.00 0.00 C ATOM 699 SG CYS A 44 -59.718 24.633 7.734 1.00 0.00 S ATOM 0 H CYS A 44 -59.896 24.600 10.534 1.00 0.00 H new ATOM 0 HA CYS A 44 -56.986 25.047 10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -57.618 25.821 7.739 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -57.381 24.109 8.025 1.00 0.00 H new ATOM 0 HG CYS A 44 -60.115 25.589 6.948 1.00 0.00 H new ATOM 705 N ILE A 45 -57.439 27.549 10.141 1.00 0.00 N ATOM 706 CA ILE A 45 -57.754 28.988 10.385 1.00 0.00 C ATOM 707 C ILE A 45 -57.060 29.845 9.318 1.00 0.00 C ATOM 708 O ILE A 45 -55.939 29.554 8.894 1.00 0.00 O ATOM 709 CB ILE A 45 -57.280 29.399 11.788 1.00 0.00 C ATOM 710 CG1 ILE A 45 -58.001 30.680 12.211 1.00 0.00 C ATOM 711 CG2 ILE A 45 -55.771 29.654 11.785 1.00 0.00 C ATOM 712 CD1 ILE A 45 -57.838 30.886 13.718 1.00 0.00 C ATOM 0 H ILE A 45 -56.446 27.335 10.052 1.00 0.00 H new ATOM 0 HA ILE A 45 -58.832 29.141 10.325 1.00 0.00 H new ATOM 0 HB ILE A 45 -57.506 28.593 12.486 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -57.593 31.534 11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -59.058 30.616 11.955 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -55.449 29.944 12.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -55.249 28.745 11.485 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -55.539 30.454 11.082 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -58.352 31.799 14.018 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -58.267 30.037 14.250 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -56.779 30.969 13.961 1.00 0.00 H new ATOM 724 N VAL A 46 -57.707 30.886 8.871 1.00 0.00 N ATOM 725 CA VAL A 46 -57.095 31.759 7.827 1.00 0.00 C ATOM 726 C VAL A 46 -57.357 33.242 8.161 1.00 0.00 C ATOM 727 O VAL A 46 -58.480 33.741 8.063 1.00 0.00 O ATOM 728 CB VAL A 46 -57.680 31.383 6.452 1.00 0.00 C ATOM 729 CG1 VAL A 46 -59.134 31.843 6.338 1.00 0.00 C ATOM 730 CG2 VAL A 46 -56.856 32.043 5.347 1.00 0.00 C ATOM 0 H VAL A 46 -58.635 31.171 9.184 1.00 0.00 H new ATOM 0 HA VAL A 46 -56.016 31.610 7.800 1.00 0.00 H new ATOM 0 HB VAL A 46 -57.645 30.299 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -59.527 31.567 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -59.729 31.365 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -59.184 32.925 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -57.271 31.776 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -56.885 33.126 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -55.824 31.698 5.408 1.00 0.00 H new ATOM 740 N GLY A 47 -56.335 33.951 8.570 1.00 0.00 N ATOM 741 CA GLY A 47 -56.498 35.402 8.925 1.00 0.00 C ATOM 742 C GLY A 47 -57.503 35.560 10.071 1.00 0.00 C ATOM 743 O GLY A 47 -57.145 35.499 11.243 1.00 0.00 O ATOM 0 H GLY A 47 -55.387 33.588 8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -55.535 35.822 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -56.839 35.960 8.053 1.00 0.00 H new ATOM 747 N SER A 48 -58.755 35.761 9.752 1.00 0.00 N ATOM 748 CA SER A 48 -59.794 35.922 10.821 1.00 0.00 C ATOM 749 C SER A 48 -60.955 34.937 10.592 1.00 0.00 C ATOM 750 O SER A 48 -62.062 35.137 11.093 1.00 0.00 O ATOM 751 CB SER A 48 -60.332 37.356 10.796 1.00 0.00 C ATOM 752 OG SER A 48 -61.338 37.504 11.795 1.00 0.00 O ATOM 0 H SER A 48 -59.107 35.821 8.796 1.00 0.00 H new ATOM 0 HA SER A 48 -59.339 35.714 11.789 1.00 0.00 H new ATOM 0 HB2 SER A 48 -59.522 38.063 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 48 -60.744 37.584 9.813 1.00 0.00 H new ATOM 0 HG SER A 48 -61.983 36.770 11.721 1.00 0.00 H new ATOM 758 N ILE A 49 -60.731 33.881 9.851 1.00 0.00 N ATOM 759 CA ILE A 49 -61.825 32.892 9.600 1.00 0.00 C ATOM 760 C ILE A 49 -61.351 31.487 9.989 1.00 0.00 C ATOM 761 O ILE A 49 -60.292 31.032 9.564 1.00 0.00 O ATOM 762 CB ILE A 49 -62.199 32.906 8.112 1.00 0.00 C ATOM 763 CG1 ILE A 49 -62.817 34.256 7.745 1.00 0.00 C ATOM 764 CG2 ILE A 49 -63.218 31.800 7.824 1.00 0.00 C ATOM 765 CD1 ILE A 49 -62.945 34.358 6.223 1.00 0.00 C ATOM 0 H ILE A 49 -59.839 33.661 9.409 1.00 0.00 H new ATOM 0 HA ILE A 49 -62.695 33.161 10.199 1.00 0.00 H new ATOM 0 HB ILE A 49 -61.298 32.741 7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -63.797 34.359 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -62.197 35.068 8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -63.481 31.814 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -62.786 30.832 8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -64.114 31.966 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -63.385 35.319 5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -61.958 34.274 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -63.583 33.554 5.857 1.00 0.00 H new ATOM 777 N VAL A 50 -62.118 30.784 10.775 1.00 0.00 N ATOM 778 CA VAL A 50 -61.717 29.399 11.175 1.00 0.00 C ATOM 779 C VAL A 50 -62.701 28.402 10.553 1.00 0.00 C ATOM 780 O VAL A 50 -63.865 28.723 10.314 1.00 0.00 O ATOM 781 CB VAL A 50 -61.740 29.252 12.705 1.00 0.00 C ATOM 782 CG1 VAL A 50 -60.759 28.157 13.126 1.00 0.00 C ATOM 783 CG2 VAL A 50 -61.326 30.566 13.372 1.00 0.00 C ATOM 0 H VAL A 50 -63.006 31.106 11.160 1.00 0.00 H new ATOM 0 HA VAL A 50 -60.705 29.203 10.822 1.00 0.00 H new ATOM 0 HB VAL A 50 -62.752 28.992 13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -60.775 28.052 14.211 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -61.049 27.212 12.666 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -59.753 28.425 12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -61.347 30.447 14.455 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -60.318 30.833 13.056 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -62.018 31.356 13.081 1.00 0.00 H new ATOM 793 N THR A 51 -62.265 27.207 10.275 1.00 0.00 N ATOM 794 CA THR A 51 -63.191 26.205 9.660 1.00 0.00 C ATOM 795 C THR A 51 -62.791 24.783 10.067 1.00 0.00 C ATOM 796 O THR A 51 -61.680 24.534 10.542 1.00 0.00 O ATOM 797 CB THR A 51 -63.155 26.334 8.132 1.00 0.00 C ATOM 798 OG1 THR A 51 -63.198 27.706 7.769 1.00 0.00 O ATOM 799 CG2 THR A 51 -64.365 25.627 7.529 1.00 0.00 C ATOM 0 H THR A 51 -61.315 26.877 10.444 1.00 0.00 H new ATOM 0 HA THR A 51 -64.202 26.400 10.018 1.00 0.00 H new ATOM 0 HB THR A 51 -62.237 25.880 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 -63.173 27.787 6.793 1.00 0.00 H new ATOM 0 HG21 THR A 51 -64.337 25.720 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 51 -64.344 24.572 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 51 -65.279 26.083 7.909 1.00 0.00 H new ATOM 807 N GLU A 52 -63.686 23.850 9.900 1.00 0.00 N ATOM 808 CA GLU A 52 -63.402 22.435 10.282 1.00 0.00 C ATOM 809 C GLU A 52 -63.531 21.505 9.065 1.00 0.00 C ATOM 810 O GLU A 52 -64.017 21.896 7.997 1.00 0.00 O ATOM 811 CB GLU A 52 -64.405 22.008 11.366 1.00 0.00 C ATOM 812 CG GLU A 52 -65.822 21.863 10.767 1.00 0.00 C ATOM 813 CD GLU A 52 -66.412 23.239 10.443 1.00 0.00 C ATOM 814 OE1 GLU A 52 -66.880 23.891 11.353 1.00 0.00 O ATOM 815 OE2 GLU A 52 -66.377 23.616 9.277 1.00 0.00 O ATOM 0 H GLU A 52 -64.615 24.008 9.510 1.00 0.00 H new ATOM 0 HA GLU A 52 -62.382 22.363 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -64.092 21.062 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -64.417 22.745 12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -65.780 21.257 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -66.469 21.340 11.471 1.00 0.00 H new ATOM 822 N GLY A 53 -63.110 20.276 9.203 1.00 0.00 N ATOM 823 CA GLY A 53 -63.209 19.309 8.068 1.00 0.00 C ATOM 824 C GLY A 53 -62.980 17.886 8.578 1.00 0.00 C ATOM 825 O GLY A 53 -61.841 17.444 8.730 1.00 0.00 O ATOM 0 H GLY A 53 -62.700 19.897 10.057 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -64.190 19.384 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -62.471 19.554 7.304 1.00 0.00 H new ATOM 829 N GLU A 54 -64.036 17.158 8.841 1.00 0.00 N ATOM 830 CA GLU A 54 -63.871 15.757 9.331 1.00 0.00 C ATOM 831 C GLU A 54 -63.383 14.879 8.171 1.00 0.00 C ATOM 832 O GLU A 54 -64.144 14.134 7.553 1.00 0.00 O ATOM 833 CB GLU A 54 -65.207 15.229 9.866 1.00 0.00 C ATOM 834 CG GLU A 54 -64.933 14.162 10.938 1.00 0.00 C ATOM 835 CD GLU A 54 -65.699 14.491 12.222 1.00 0.00 C ATOM 836 OE1 GLU A 54 -65.567 15.605 12.705 1.00 0.00 O ATOM 837 OE2 GLU A 54 -66.392 13.617 12.707 1.00 0.00 O ATOM 0 H GLU A 54 -65.001 17.472 8.738 1.00 0.00 H new ATOM 0 HA GLU A 54 -63.141 15.733 10.140 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -65.792 16.046 10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -65.796 14.803 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -65.232 13.181 10.569 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -63.864 14.112 11.147 1.00 0.00 H new ATOM 844 N GLY A 55 -62.122 14.969 7.853 1.00 0.00 N ATOM 845 CA GLY A 55 -61.573 14.156 6.727 1.00 0.00 C ATOM 846 C GLY A 55 -61.177 12.776 7.236 1.00 0.00 C ATOM 847 O GLY A 55 -60.489 12.642 8.244 1.00 0.00 O ATOM 0 H GLY A 55 -61.446 15.570 8.323 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -62.317 14.063 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -60.707 14.656 6.293 1.00 0.00 H new ATOM 943 N LYS A 62 -56.640 16.445 4.790 1.00 0.00 N ATOM 944 CA LYS A 62 -55.787 17.606 4.361 1.00 0.00 C ATOM 945 C LYS A 62 -56.297 18.191 3.034 1.00 0.00 C ATOM 946 O LYS A 62 -55.961 19.318 2.670 1.00 0.00 O ATOM 947 CB LYS A 62 -54.333 17.149 4.193 1.00 0.00 C ATOM 948 CG LYS A 62 -53.529 17.520 5.445 1.00 0.00 C ATOM 949 CD LYS A 62 -54.192 16.913 6.686 1.00 0.00 C ATOM 950 CE LYS A 62 -54.144 15.388 6.592 1.00 0.00 C ATOM 951 NZ LYS A 62 -55.273 14.813 7.368 1.00 0.00 N ATOM 0 HA LYS A 62 -55.842 18.377 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -54.296 16.072 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -53.893 17.619 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -52.506 17.155 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -53.473 18.604 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -53.679 17.249 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -55.225 17.251 6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -54.207 15.074 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -53.195 15.018 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -55.244 13.775 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -55.193 15.103 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -56.173 15.158 6.978 1.00 0.00 H new ATOM 965 N LYS A 63 -57.099 17.459 2.308 1.00 0.00 N ATOM 966 CA LYS A 63 -57.629 17.983 1.018 1.00 0.00 C ATOM 967 C LYS A 63 -59.048 18.538 1.234 1.00 0.00 C ATOM 968 O LYS A 63 -59.284 19.734 1.087 1.00 0.00 O ATOM 969 CB LYS A 63 -57.657 16.850 -0.018 1.00 0.00 C ATOM 970 CG LYS A 63 -56.736 17.204 -1.190 1.00 0.00 C ATOM 971 CD LYS A 63 -55.419 16.426 -1.070 1.00 0.00 C ATOM 972 CE LYS A 63 -54.980 15.946 -2.456 1.00 0.00 C ATOM 973 NZ LYS A 63 -53.489 15.892 -2.521 1.00 0.00 N ATOM 0 H LYS A 63 -57.410 16.519 2.554 1.00 0.00 H new ATOM 0 HA LYS A 63 -56.986 18.784 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -57.335 15.915 0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -58.675 16.696 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -57.225 16.965 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -56.537 18.276 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -54.648 17.061 -0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -55.547 15.574 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -55.398 14.960 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -55.363 16.619 -3.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -53.194 15.566 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -53.099 16.840 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -53.134 15.233 -1.800 1.00 0.00 H new ATOM 987 N ARG A 64 -59.990 17.691 1.584 1.00 0.00 N ATOM 988 CA ARG A 64 -61.402 18.157 1.804 1.00 0.00 C ATOM 989 C ARG A 64 -61.451 19.355 2.771 1.00 0.00 C ATOM 990 O ARG A 64 -62.228 20.291 2.576 1.00 0.00 O ATOM 991 CB ARG A 64 -62.241 17.002 2.371 1.00 0.00 C ATOM 992 CG ARG A 64 -62.696 16.080 1.230 1.00 0.00 C ATOM 993 CD ARG A 64 -63.616 16.853 0.278 1.00 0.00 C ATOM 994 NE ARG A 64 -64.051 15.958 -0.841 1.00 0.00 N ATOM 995 CZ ARG A 64 -63.172 15.385 -1.595 1.00 0.00 C ATOM 996 NH1 ARG A 64 -62.346 16.099 -2.271 1.00 0.00 N ATOM 997 NH2 ARG A 64 -63.127 14.099 -1.663 1.00 0.00 N ATOM 0 H ARG A 64 -59.842 16.692 1.728 1.00 0.00 H new ATOM 0 HA ARG A 64 -61.809 18.477 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -61.655 16.437 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -63.109 17.396 2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -61.830 15.702 0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -63.220 15.215 1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -64.486 17.224 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -63.094 17.723 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 64 -65.045 15.800 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -62.385 17.117 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -61.651 15.649 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -63.784 13.536 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -62.434 13.644 -2.257 1.00 0.00 H new ATOM 1011 N ALA A 65 -60.644 19.356 3.805 1.00 0.00 N ATOM 1012 CA ALA A 65 -60.662 20.511 4.757 1.00 0.00 C ATOM 1013 C ALA A 65 -60.190 21.775 4.015 1.00 0.00 C ATOM 1014 O ALA A 65 -60.848 22.818 4.046 1.00 0.00 O ATOM 1015 CB ALA A 65 -59.737 20.219 5.946 1.00 0.00 C ATOM 0 H ALA A 65 -59.980 18.615 4.029 1.00 0.00 H new ATOM 0 HA ALA A 65 -61.673 20.666 5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -59.754 21.063 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -60.079 19.322 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -58.720 20.065 5.586 1.00 0.00 H new ATOM 1021 N ALA A 66 -59.073 21.690 3.330 1.00 0.00 N ATOM 1022 CA ALA A 66 -58.562 22.871 2.566 1.00 0.00 C ATOM 1023 C ALA A 66 -59.559 23.235 1.455 1.00 0.00 C ATOM 1024 O ALA A 66 -59.786 24.408 1.174 1.00 0.00 O ATOM 1025 CB ALA A 66 -57.199 22.532 1.951 1.00 0.00 C ATOM 0 H ALA A 66 -58.494 20.853 3.268 1.00 0.00 H new ATOM 0 HA ALA A 66 -58.451 23.720 3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -56.827 23.392 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -56.495 22.280 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -57.305 21.682 1.277 1.00 0.00 H new ATOM 1031 N GLU A 67 -60.164 22.257 0.830 1.00 0.00 N ATOM 1032 CA GLU A 67 -61.155 22.542 -0.252 1.00 0.00 C ATOM 1033 C GLU A 67 -62.258 23.461 0.290 1.00 0.00 C ATOM 1034 O GLU A 67 -62.548 24.513 -0.278 1.00 0.00 O ATOM 1035 CB GLU A 67 -61.776 21.225 -0.732 1.00 0.00 C ATOM 1036 CG GLU A 67 -60.742 20.425 -1.545 1.00 0.00 C ATOM 1037 CD GLU A 67 -61.173 18.959 -1.666 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -62.319 18.713 -2.011 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -60.350 18.093 -1.423 1.00 0.00 O ATOM 0 H GLU A 67 -60.013 21.267 1.024 1.00 0.00 H new ATOM 0 HA GLU A 67 -60.653 23.034 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -62.112 20.638 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -62.654 21.429 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -60.634 20.862 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -59.766 20.485 -1.063 1.00 0.00 H new ATOM 1046 N LYS A 68 -62.867 23.087 1.383 1.00 0.00 N ATOM 1047 CA LYS A 68 -63.950 23.934 1.979 1.00 0.00 C ATOM 1048 C LYS A 68 -63.427 25.357 2.236 1.00 0.00 C ATOM 1049 O LYS A 68 -64.082 26.345 1.902 1.00 0.00 O ATOM 1050 CB LYS A 68 -64.413 23.306 3.301 1.00 0.00 C ATOM 1051 CG LYS A 68 -65.703 23.987 3.774 1.00 0.00 C ATOM 1052 CD LYS A 68 -65.794 23.905 5.303 1.00 0.00 C ATOM 1053 CE LYS A 68 -66.476 22.599 5.709 1.00 0.00 C ATOM 1054 NZ LYS A 68 -66.226 22.338 7.156 1.00 0.00 N ATOM 0 H LYS A 68 -62.663 22.228 1.894 1.00 0.00 H new ATOM 0 HA LYS A 68 -64.788 23.988 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -64.583 22.238 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -63.636 23.413 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -65.715 25.029 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -66.569 23.504 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -64.797 23.957 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -66.356 24.755 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -67.548 22.661 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -66.093 21.774 5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -66.882 21.606 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -65.247 22.012 7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -66.374 23.214 7.697 1.00 0.00 H new ATOM 1068 N MET A 69 -62.265 25.484 2.824 1.00 0.00 N ATOM 1069 CA MET A 69 -61.711 26.846 3.103 1.00 0.00 C ATOM 1070 C MET A 69 -61.360 27.565 1.790 1.00 0.00 C ATOM 1071 O MET A 69 -61.705 28.731 1.592 1.00 0.00 O ATOM 1072 CB MET A 69 -60.458 26.714 3.971 1.00 0.00 C ATOM 1073 CG MET A 69 -60.249 28.007 4.762 1.00 0.00 C ATOM 1074 SD MET A 69 -59.018 27.726 6.056 1.00 0.00 S ATOM 1075 CE MET A 69 -59.950 28.471 7.416 1.00 0.00 C ATOM 0 H MET A 69 -61.676 24.707 3.123 1.00 0.00 H new ATOM 0 HA MET A 69 -62.464 27.434 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 69 -60.562 25.870 4.653 1.00 0.00 H new ATOM 0 HB3 MET A 69 -59.588 26.513 3.345 1.00 0.00 H new ATOM 0 HG2 MET A 69 -59.918 28.804 4.096 1.00 0.00 H new ATOM 0 HG3 MET A 69 -61.191 28.332 5.205 1.00 0.00 H new ATOM 0 HE1 MET A 69 -59.259 28.938 8.118 1.00 0.00 H new ATOM 0 HE2 MET A 69 -60.631 29.225 7.021 1.00 0.00 H new ATOM 0 HE3 MET A 69 -60.523 27.699 7.930 1.00 0.00 H new ATOM 1085 N LEU A 70 -60.684 26.900 0.891 1.00 0.00 N ATOM 1086 CA LEU A 70 -60.314 27.546 -0.406 1.00 0.00 C ATOM 1087 C LEU A 70 -61.583 27.902 -1.191 1.00 0.00 C ATOM 1088 O LEU A 70 -61.657 28.951 -1.827 1.00 0.00 O ATOM 1089 CB LEU A 70 -59.451 26.586 -1.235 1.00 0.00 C ATOM 1090 CG LEU A 70 -58.064 26.443 -0.600 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -57.182 25.579 -1.500 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -57.415 27.821 -0.441 1.00 0.00 C ATOM 0 H LEU A 70 -60.371 25.935 0.998 1.00 0.00 H new ATOM 0 HA LEU A 70 -59.750 28.456 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -59.934 25.611 -1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -59.356 26.959 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 70 -58.168 25.977 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -56.194 25.476 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -57.634 24.594 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -57.088 26.051 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -56.430 27.709 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -57.314 28.291 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -58.039 28.445 0.199 1.00 0.00 H new ATOM 1104 N VAL A 71 -62.584 27.059 -1.158 1.00 0.00 N ATOM 1105 CA VAL A 71 -63.849 27.363 -1.900 1.00 0.00 C ATOM 1106 C VAL A 71 -64.429 28.689 -1.386 1.00 0.00 C ATOM 1107 O VAL A 71 -64.777 29.573 -2.170 1.00 0.00 O ATOM 1108 CB VAL A 71 -64.858 26.224 -1.685 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -66.234 26.640 -2.206 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -64.397 24.986 -2.453 1.00 0.00 C ATOM 0 H VAL A 71 -62.582 26.174 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 71 -63.641 27.452 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 71 -64.921 26.004 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -66.943 25.827 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -66.574 27.526 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -66.167 26.864 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -65.112 24.177 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -64.333 25.220 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -63.417 24.677 -2.090 1.00 0.00 H new ATOM 1120 N GLU A 72 -64.527 28.852 -0.090 1.00 0.00 N ATOM 1121 CA GLU A 72 -65.072 30.129 0.465 1.00 0.00 C ATOM 1122 C GLU A 72 -64.056 31.264 0.246 1.00 0.00 C ATOM 1123 O GLU A 72 -64.406 32.341 -0.234 1.00 0.00 O ATOM 1124 CB GLU A 72 -65.354 29.967 1.964 1.00 0.00 C ATOM 1125 CG GLU A 72 -66.740 29.334 2.174 1.00 0.00 C ATOM 1126 CD GLU A 72 -67.820 30.147 1.456 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -67.884 31.354 1.663 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -68.578 29.552 0.706 1.00 0.00 O ATOM 0 H GLU A 72 -64.254 28.158 0.606 1.00 0.00 H new ATOM 0 HA GLU A 72 -66.002 30.375 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -64.587 29.342 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -65.310 30.938 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -66.739 28.311 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -66.964 29.283 3.239 1.00 0.00 H new ATOM 1135 N LEU A 73 -62.805 31.046 0.581 1.00 0.00 N ATOM 1136 CA LEU A 73 -61.767 32.112 0.389 1.00 0.00 C ATOM 1137 C LEU A 73 -61.701 32.537 -1.086 1.00 0.00 C ATOM 1138 O LEU A 73 -61.523 33.711 -1.392 1.00 0.00 O ATOM 1139 CB LEU A 73 -60.405 31.566 0.829 1.00 0.00 C ATOM 1140 CG LEU A 73 -60.186 31.805 2.329 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -59.586 33.191 2.543 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -61.509 31.716 3.090 1.00 0.00 C ATOM 0 H LEU A 73 -62.457 30.174 0.980 1.00 0.00 H new ATOM 0 HA LEU A 73 -62.032 32.983 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -60.348 30.499 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -59.612 32.049 0.259 1.00 0.00 H new ATOM 0 HG LEU A 73 -59.508 31.038 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -59.431 33.360 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -58.631 33.258 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -60.267 33.947 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -61.331 31.889 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -62.198 32.470 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -61.943 30.726 2.951 1.00 0.00 H new ATOM 1154 N GLN A 74 -61.858 31.613 -2.003 1.00 0.00 N ATOM 1155 CA GLN A 74 -61.826 31.977 -3.460 1.00 0.00 C ATOM 1156 C GLN A 74 -63.070 32.814 -3.814 1.00 0.00 C ATOM 1157 O GLN A 74 -63.193 33.336 -4.921 1.00 0.00 O ATOM 1158 CB GLN A 74 -61.812 30.697 -4.302 1.00 0.00 C ATOM 1159 CG GLN A 74 -60.390 30.120 -4.342 1.00 0.00 C ATOM 1160 CD GLN A 74 -60.405 28.750 -5.023 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -59.755 28.551 -6.039 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -61.113 27.790 -4.516 1.00 0.00 N ATOM 0 H GLN A 74 -62.007 30.623 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 74 -60.930 32.561 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -62.500 29.965 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -62.156 30.912 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -59.728 30.797 -4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -59.996 30.029 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -61.657 27.950 -3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -61.126 26.874 -4.965 1.00 0.00 H new ATOM 1171 N LYS A 75 -63.987 32.950 -2.890 1.00 0.00 N ATOM 1172 CA LYS A 75 -65.218 33.751 -3.140 1.00 0.00 C ATOM 1173 C LYS A 75 -64.992 35.211 -2.690 1.00 0.00 C ATOM 1174 O LYS A 75 -65.826 36.081 -2.944 1.00 0.00 O ATOM 1175 CB LYS A 75 -66.361 33.125 -2.331 1.00 0.00 C ATOM 1176 CG LYS A 75 -67.700 33.328 -3.046 1.00 0.00 C ATOM 1177 CD LYS A 75 -68.843 33.173 -2.033 1.00 0.00 C ATOM 1178 CE LYS A 75 -68.876 31.735 -1.511 1.00 0.00 C ATOM 1179 NZ LYS A 75 -69.553 31.711 -0.185 1.00 0.00 N ATOM 0 H LYS A 75 -63.932 32.533 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 75 -65.463 33.751 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -66.175 32.060 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -66.400 33.574 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -67.735 34.317 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -67.810 32.601 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -68.705 33.868 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -69.795 33.422 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -69.405 31.092 -2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -67.862 31.344 -1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -69.791 30.730 0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -68.918 32.108 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -70.424 32.278 -0.230 1.00 0.00 H new ATOM 1193 N LEU A 76 -63.899 35.489 -2.009 1.00 0.00 N ATOM 1194 CA LEU A 76 -63.627 36.870 -1.526 1.00 0.00 C ATOM 1195 C LEU A 76 -62.267 37.387 -2.063 1.00 0.00 C ATOM 1196 O LEU A 76 -61.413 36.575 -2.404 1.00 0.00 O ATOM 1197 CB LEU A 76 -63.590 36.830 0.002 1.00 0.00 C ATOM 1198 CG LEU A 76 -64.857 36.160 0.543 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -64.520 35.405 1.824 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -65.913 37.220 0.849 1.00 0.00 C ATOM 1201 OXT LEU A 76 -62.087 38.594 -2.102 1.00 0.00 O ATOM 0 H LEU A 76 -63.182 34.804 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 76 -64.406 37.544 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -62.709 36.283 0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -63.507 37.842 0.398 1.00 0.00 H new ATOM 0 HG LEU A 76 -65.245 35.468 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -65.419 34.927 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -63.768 34.645 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -64.131 36.103 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -66.812 36.738 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -65.526 37.914 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -66.156 37.766 -0.063 1.00 0.00 H new