USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 153:sc= 0.365 USER MOD Set 1.2: A 60 CYS SG : rot -139:sc= -3.3 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -3.23 X(o=-9,f=-9.2) USER MOD Set 1.4: A 74 THR OG1 : rot 70:sc= 1.21 USER MOD Set 1.5: A 78 HIS : no HE2:sc= -4.06! C(o=-9!,f=-9.1!) USER MOD Set 2.1: A 27 CYS SG : rot 90:sc= 0.464 USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 30 CYS SG : rot -80:sc= 0.39 USER MOD Set 2.4: A 44 HIS : no HD1:sc= -2.54 X(o=-2.3,f=-2.6) USER MOD Set 2.5: A 48 CYS SG : rot 166:sc= -0.62 USER MOD Single : A 14 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.4) USER MOD Single : A 16 GLN : amide:sc= -2.45! C(o=-2.5!,f=-2.4!) USER MOD Single : A 20 HIS : no HD1:sc= -2.18 X(o=-2.2,f=-2!) USER MOD Single : A 31 ASN : amide:sc= -1.8! C(o=-1.8!,f=-2.2!) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.875 USER MOD Single : A 36 LYS NZ :NH3+ 165:sc=-0.00838 (180deg=-0.115) USER MOD Single : A 37 THR OG1 : rot -8:sc= 0.827 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.677) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -159:sc= -5.04! (180deg=-5.91!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.95 K(o=-2,f=-10!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.52! K(o=-1.5!,f=-2.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.674 K(o=0.67,f=-0.084) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -1.945 15.183 -5.872 1.00 0.00 N ATOM 95 CA PRO A 11 -2.611 15.886 -6.972 1.00 0.00 C ATOM 96 C PRO A 11 -1.637 16.709 -7.809 1.00 0.00 C ATOM 97 O PRO A 11 -1.403 17.884 -7.528 1.00 0.00 O ATOM 98 CB PRO A 11 -3.608 16.802 -6.257 1.00 0.00 C ATOM 99 CG PRO A 11 -3.021 17.017 -4.905 1.00 0.00 C ATOM 100 CD PRO A 11 -2.303 15.743 -4.557 1.00 0.00 C ATOM 0 HA PRO A 11 -3.075 15.194 -7.675 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.732 17.745 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.593 16.341 -6.192 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.334 17.863 -4.908 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.798 17.239 -4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.420 15.933 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.941 15.064 -3.991 1.00 0.00 H new ATOM 108 N GLU A 12 -1.073 16.084 -8.837 1.00 0.00 N ATOM 109 CA GLU A 12 -0.123 16.760 -9.714 1.00 0.00 C ATOM 110 C GLU A 12 1.108 17.213 -8.935 1.00 0.00 C ATOM 111 O GLU A 12 1.639 18.298 -9.171 1.00 0.00 O ATOM 112 CB GLU A 12 -0.786 17.963 -10.388 1.00 0.00 C ATOM 113 CG GLU A 12 -1.975 17.594 -11.259 1.00 0.00 C ATOM 114 CD GLU A 12 -2.541 18.785 -12.007 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.747 19.654 -12.426 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.777 18.849 -12.174 1.00 0.00 O ATOM 0 H GLU A 12 -1.257 15.111 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 12 0.194 16.052 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.113 18.664 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.046 18.480 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.673 16.830 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.755 17.156 -10.636 1.00 0.00 H new ATOM 123 N GLU A 13 1.556 16.374 -8.006 1.00 0.00 N ATOM 124 CA GLU A 13 2.724 16.689 -7.192 1.00 0.00 C ATOM 125 C GLU A 13 3.990 16.093 -7.802 1.00 0.00 C ATOM 126 O GLU A 13 5.027 16.751 -7.870 1.00 0.00 O ATOM 127 CB GLU A 13 2.536 16.166 -5.767 1.00 0.00 C ATOM 128 CG GLU A 13 1.460 16.901 -4.986 1.00 0.00 C ATOM 129 CD GLU A 13 1.577 16.687 -3.489 1.00 0.00 C ATOM 130 OE1 GLU A 13 2.191 15.679 -3.081 1.00 0.00 O ATOM 131 OE2 GLU A 13 1.054 17.526 -2.726 1.00 0.00 O ATOM 0 H GLU A 13 1.128 15.472 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 13 2.832 17.773 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.283 15.106 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.482 16.248 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.523 17.967 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.479 16.565 -5.322 1.00 0.00 H new ATOM 138 N GLN A 14 3.894 14.842 -8.243 1.00 0.00 N ATOM 139 CA GLN A 14 5.031 14.157 -8.846 1.00 0.00 C ATOM 140 C GLN A 14 5.074 14.394 -10.352 1.00 0.00 C ATOM 141 O GLN A 14 6.148 14.446 -10.952 1.00 0.00 O ATOM 142 CB GLN A 14 4.961 12.657 -8.555 1.00 0.00 C ATOM 143 CG GLN A 14 6.199 11.893 -8.999 1.00 0.00 C ATOM 144 CD GLN A 14 6.199 11.594 -10.485 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.159 11.287 -11.068 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.369 11.682 -11.107 1.00 0.00 N ATOM 0 H GLN A 14 3.042 14.284 -8.194 1.00 0.00 H new ATOM 0 HA GLN A 14 5.942 14.563 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.817 12.509 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.087 12.239 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.088 12.472 -8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.262 10.957 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.206 11.940 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.430 11.492 -12.107 1.00 0.00 H new ATOM 155 N TRP A 15 3.900 14.536 -10.957 1.00 0.00 N ATOM 156 CA TRP A 15 3.804 14.767 -12.394 1.00 0.00 C ATOM 157 C TRP A 15 4.213 16.193 -12.744 1.00 0.00 C ATOM 158 O TRP A 15 4.607 16.474 -13.876 1.00 0.00 O ATOM 159 CB TRP A 15 2.379 14.498 -12.880 1.00 0.00 C ATOM 160 CG TRP A 15 1.974 13.059 -12.764 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.793 11.969 -12.836 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.649 12.556 -12.558 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.057 10.818 -12.687 1.00 0.00 N ATOM 164 CE2 TRP A 15 0.739 11.151 -12.514 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.604 13.155 -12.405 1.00 0.00 C ATOM 166 CZ2 TRP A 15 -0.376 10.339 -12.325 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.710 12.348 -12.217 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.590 10.953 -12.177 1.00 0.00 C ATOM 0 H TRP A 15 3.002 14.495 -10.475 1.00 0.00 H new ATOM 0 HA TRP A 15 4.487 14.080 -12.894 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.685 15.111 -12.305 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.293 14.810 -13.921 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.862 12.006 -12.988 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.431 9.869 -12.703 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.706 14.230 -12.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.286 9.263 -12.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.683 12.801 -12.099 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.473 10.350 -12.026 1.00 0.00 H new ATOM 179 N GLN A 16 4.116 17.089 -11.767 1.00 0.00 N ATOM 180 CA GLN A 16 4.476 18.487 -11.975 1.00 0.00 C ATOM 181 C GLN A 16 5.949 18.722 -11.658 1.00 0.00 C ATOM 182 O GLN A 16 6.673 19.337 -12.441 1.00 0.00 O ATOM 183 CB GLN A 16 3.604 19.395 -11.106 1.00 0.00 C ATOM 184 CG GLN A 16 3.847 20.877 -11.340 1.00 0.00 C ATOM 185 CD GLN A 16 5.125 21.368 -10.687 1.00 0.00 C ATOM 186 OE1 GLN A 16 5.399 21.064 -9.526 1.00 0.00 O ATOM 187 NE2 GLN A 16 5.915 22.132 -11.433 1.00 0.00 N ATOM 0 H GLN A 16 3.792 16.872 -10.825 1.00 0.00 H new ATOM 0 HA GLN A 16 4.306 18.728 -13.024 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.555 19.172 -11.301 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.789 19.166 -10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.894 21.069 -12.412 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.003 21.446 -10.951 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.648 22.359 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.788 22.492 -11.048 1.00 0.00 H new ATOM 196 N ARG A 17 6.387 18.230 -10.503 1.00 0.00 N ATOM 197 CA ARG A 17 7.774 18.388 -10.082 1.00 0.00 C ATOM 198 C ARG A 17 8.730 18.058 -11.224 1.00 0.00 C ATOM 199 O ARG A 17 9.837 18.592 -11.293 1.00 0.00 O ATOM 200 CB ARG A 17 8.069 17.490 -8.879 1.00 0.00 C ATOM 201 CG ARG A 17 8.363 16.047 -9.255 1.00 0.00 C ATOM 202 CD ARG A 17 9.246 15.370 -8.219 1.00 0.00 C ATOM 203 NE ARG A 17 10.666 15.555 -8.506 1.00 0.00 N ATOM 204 CZ ARG A 17 11.638 14.987 -7.800 1.00 0.00 C ATOM 205 NH1 ARG A 17 11.345 14.203 -6.772 1.00 0.00 N ATOM 206 NH2 ARG A 17 12.907 15.203 -8.123 1.00 0.00 N ATOM 0 H ARG A 17 5.801 17.719 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 17 7.924 19.429 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.921 17.896 -8.334 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.216 17.514 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.427 15.497 -9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.853 16.016 -10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.020 15.772 -7.231 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.018 14.305 -8.189 1.00 0.00 H new ATOM 0 HE ARG A 17 10.926 16.153 -9.291 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.371 14.034 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.094 13.769 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.137 15.805 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.653 14.767 -7.581 1.00 0.00 H new ATOM 220 N ALA A 18 8.295 17.176 -12.117 1.00 0.00 N ATOM 221 CA ALA A 18 9.112 16.776 -13.257 1.00 0.00 C ATOM 222 C ALA A 18 8.909 17.721 -14.436 1.00 0.00 C ATOM 223 O ALA A 18 9.787 17.865 -15.286 1.00 0.00 O ATOM 224 CB ALA A 18 8.788 15.346 -13.662 1.00 0.00 C ATOM 0 H ALA A 18 7.381 16.724 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 18 10.159 16.829 -12.959 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.405 15.060 -14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.991 14.676 -12.826 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.735 15.275 -13.936 1.00 0.00 H new ATOM 230 N ILE A 19 7.745 18.362 -14.481 1.00 0.00 N ATOM 231 CA ILE A 19 7.428 19.293 -15.557 1.00 0.00 C ATOM 232 C ILE A 19 8.322 20.527 -15.496 1.00 0.00 C ATOM 233 O ILE A 19 8.728 21.064 -16.528 1.00 0.00 O ATOM 234 CB ILE A 19 5.954 19.737 -15.500 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.038 18.594 -15.942 1.00 0.00 C ATOM 236 CG2 ILE A 19 5.737 20.964 -16.373 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.603 18.762 -15.492 1.00 0.00 C ATOM 0 H ILE A 19 7.007 18.254 -13.785 1.00 0.00 H new ATOM 0 HA ILE A 19 7.604 18.765 -16.494 1.00 0.00 H new ATOM 0 HB ILE A 19 5.708 19.999 -14.471 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.063 18.519 -17.029 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.426 17.655 -15.548 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.691 21.266 -16.323 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.368 21.779 -16.018 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.997 20.727 -17.405 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.011 17.916 -15.840 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.566 18.807 -14.404 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.197 19.684 -15.907 1.00 0.00 H new ATOM 249 N HIS A 20 8.626 20.972 -14.281 1.00 0.00 N ATOM 250 CA HIS A 20 9.474 22.143 -14.086 1.00 0.00 C ATOM 251 C HIS A 20 10.935 21.733 -13.921 1.00 0.00 C ATOM 252 O HIS A 20 11.838 22.559 -14.051 1.00 0.00 O ATOM 253 CB HIS A 20 9.013 22.935 -12.862 1.00 0.00 C ATOM 254 CG HIS A 20 9.716 22.547 -11.598 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.653 23.350 -10.982 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.613 21.436 -10.833 1.00 0.00 C ATOM 257 CE1 HIS A 20 11.097 22.748 -9.893 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.481 21.584 -9.780 1.00 0.00 N ATOM 0 H HIS A 20 8.298 20.540 -13.417 1.00 0.00 H new ATOM 0 HA HIS A 20 9.389 22.774 -14.970 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.173 23.997 -13.046 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.940 22.792 -12.730 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.968 20.590 -11.017 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.837 23.140 -9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.627 20.906 -9.032 1.00 0.00 H new ATOM 266 N GLU A 21 11.157 20.455 -13.632 1.00 0.00 N ATOM 267 CA GLU A 21 12.508 19.938 -13.447 1.00 0.00 C ATOM 268 C GLU A 21 13.132 19.555 -14.786 1.00 0.00 C ATOM 269 O GLU A 21 14.197 20.051 -15.152 1.00 0.00 O ATOM 270 CB GLU A 21 12.491 18.726 -12.514 1.00 0.00 C ATOM 271 CG GLU A 21 12.514 19.092 -11.040 1.00 0.00 C ATOM 272 CD GLU A 21 13.916 19.356 -10.526 1.00 0.00 C ATOM 273 OE1 GLU A 21 14.554 20.315 -11.008 1.00 0.00 O ATOM 274 OE2 GLU A 21 14.375 18.602 -9.642 1.00 0.00 O ATOM 0 H GLU A 21 10.420 19.759 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 21 13.112 20.725 -12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.599 18.133 -12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.351 18.095 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.900 19.978 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.065 18.284 -10.462 1.00 0.00 H new ATOM 281 N ARG A 22 12.459 18.668 -15.513 1.00 0.00 N ATOM 282 CA ARG A 22 12.948 18.215 -16.810 1.00 0.00 C ATOM 283 C ARG A 22 12.189 18.898 -17.944 1.00 0.00 C ATOM 284 O ARG A 22 12.771 19.257 -18.967 1.00 0.00 O ATOM 285 CB ARG A 22 12.808 16.697 -16.930 1.00 0.00 C ATOM 286 CG ARG A 22 11.407 16.188 -16.631 1.00 0.00 C ATOM 287 CD ARG A 22 11.168 14.820 -17.249 1.00 0.00 C ATOM 288 NE ARG A 22 11.805 13.753 -16.482 1.00 0.00 N ATOM 289 CZ ARG A 22 11.742 12.469 -16.815 1.00 0.00 C ATOM 290 NH1 ARG A 22 11.073 12.094 -17.896 1.00 0.00 N ATOM 291 NH2 ARG A 22 12.349 11.557 -16.065 1.00 0.00 N ATOM 0 H ARG A 22 11.574 18.249 -15.226 1.00 0.00 H new ATOM 0 HA ARG A 22 14.002 18.482 -16.887 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.088 16.394 -17.939 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.512 16.221 -16.247 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.262 16.132 -15.552 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.672 16.895 -17.015 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.096 14.632 -17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.551 14.811 -18.269 1.00 0.00 H new ATOM 0 HE ARG A 22 12.327 14.008 -15.644 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.605 12.792 -18.474 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.026 11.107 -18.150 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.864 11.842 -15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.300 10.571 -16.322 1.00 0.00 H new ATOM 305 N GLY A 23 10.884 19.074 -17.756 1.00 0.00 N ATOM 306 CA GLY A 23 10.067 19.712 -18.771 1.00 0.00 C ATOM 307 C GLY A 23 8.633 19.222 -18.754 1.00 0.00 C ATOM 308 O GLY A 23 7.712 19.990 -18.478 1.00 0.00 O ATOM 0 H GLY A 23 10.379 18.786 -16.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.081 20.791 -18.618 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.500 19.523 -19.753 1.00 0.00 H new ATOM 312 N GLU A 24 8.443 17.940 -19.050 1.00 0.00 N ATOM 313 CA GLU A 24 7.110 17.350 -19.069 1.00 0.00 C ATOM 314 C GLU A 24 7.116 15.970 -18.418 1.00 0.00 C ATOM 315 O GLU A 24 8.173 15.377 -18.206 1.00 0.00 O ATOM 316 CB GLU A 24 6.594 17.247 -20.506 1.00 0.00 C ATOM 317 CG GLU A 24 7.453 16.367 -21.399 1.00 0.00 C ATOM 318 CD GLU A 24 8.720 17.063 -21.858 1.00 0.00 C ATOM 319 OE1 GLU A 24 8.783 18.307 -21.762 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.649 16.363 -22.312 1.00 0.00 O ATOM 0 H GLU A 24 9.195 17.291 -19.280 1.00 0.00 H new ATOM 0 HA GLU A 24 6.445 17.998 -18.498 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.578 16.853 -20.491 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.542 18.247 -20.937 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.717 15.457 -20.860 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.873 16.064 -22.271 1.00 0.00 H new ATOM 327 N ALA A 25 5.927 15.464 -18.105 1.00 0.00 N ATOM 328 CA ALA A 25 5.795 14.154 -17.481 1.00 0.00 C ATOM 329 C ALA A 25 5.063 13.180 -18.398 1.00 0.00 C ATOM 330 O ALA A 25 3.840 13.056 -18.338 1.00 0.00 O ATOM 331 CB ALA A 25 5.069 14.275 -16.149 1.00 0.00 C ATOM 0 H ALA A 25 5.042 15.942 -18.274 1.00 0.00 H new ATOM 0 HA ALA A 25 6.796 13.761 -17.303 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.977 13.289 -15.694 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.633 14.930 -15.485 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.076 14.693 -16.313 1.00 0.00 H new ATOM 337 N VAL A 26 5.819 12.492 -19.247 1.00 0.00 N ATOM 338 CA VAL A 26 5.242 11.529 -20.177 1.00 0.00 C ATOM 339 C VAL A 26 4.595 10.366 -19.433 1.00 0.00 C ATOM 340 O VAL A 26 4.787 10.202 -18.228 1.00 0.00 O ATOM 341 CB VAL A 26 6.306 10.976 -21.144 1.00 0.00 C ATOM 342 CG1 VAL A 26 7.059 12.113 -21.817 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.265 10.052 -20.409 1.00 0.00 C ATOM 0 H VAL A 26 6.833 12.584 -19.310 1.00 0.00 H new ATOM 0 HA VAL A 26 4.481 12.059 -20.750 1.00 0.00 H new ATOM 0 HB VAL A 26 5.802 10.398 -21.918 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.806 11.703 -22.496 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.359 12.731 -22.379 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.553 12.721 -21.059 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.010 9.671 -21.107 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.764 10.604 -19.612 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.710 9.218 -19.980 1.00 0.00 H new ATOM 353 N CYS A 27 3.827 9.561 -20.158 1.00 0.00 N ATOM 354 CA CYS A 27 3.150 8.412 -19.568 1.00 0.00 C ATOM 355 C CYS A 27 4.160 7.404 -19.028 1.00 0.00 C ATOM 356 O CYS A 27 5.025 6.907 -19.749 1.00 0.00 O ATOM 357 CB CYS A 27 2.245 7.740 -20.603 1.00 0.00 C ATOM 358 SG CYS A 27 1.048 6.565 -19.892 1.00 0.00 S ATOM 0 H CYS A 27 3.657 9.683 -21.156 1.00 0.00 H new ATOM 0 HA CYS A 27 2.539 8.768 -18.738 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.701 8.511 -21.149 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.867 7.215 -21.328 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.052 7.192 -19.596 1.00 0.00 H new ATOM 363 N PRO A 28 4.048 7.094 -17.728 1.00 0.00 N ATOM 364 CA PRO A 28 4.942 6.142 -17.062 1.00 0.00 C ATOM 365 C PRO A 28 4.711 4.708 -17.525 1.00 0.00 C ATOM 366 O PRO A 28 5.255 3.763 -16.952 1.00 0.00 O ATOM 367 CB PRO A 28 4.580 6.291 -15.582 1.00 0.00 C ATOM 368 CG PRO A 28 3.174 6.785 -15.584 1.00 0.00 C ATOM 369 CD PRO A 28 3.040 7.647 -16.808 1.00 0.00 C ATOM 0 HA PRO A 28 5.990 6.346 -17.281 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.665 5.340 -15.056 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.246 6.993 -15.080 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.469 5.955 -15.612 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.959 7.355 -14.680 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.037 7.591 -17.231 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.233 8.696 -16.584 1.00 0.00 H new ATOM 377 N THR A 29 3.899 4.550 -18.566 1.00 0.00 N ATOM 378 CA THR A 29 3.595 3.231 -19.106 1.00 0.00 C ATOM 379 C THR A 29 4.119 3.086 -20.530 1.00 0.00 C ATOM 380 O THR A 29 4.897 2.179 -20.827 1.00 0.00 O ATOM 381 CB THR A 29 2.079 2.956 -19.098 1.00 0.00 C ATOM 382 OG1 THR A 29 1.570 3.058 -17.764 1.00 0.00 O ATOM 383 CG2 THR A 29 1.777 1.575 -19.658 1.00 0.00 C ATOM 0 H THR A 29 3.440 5.320 -19.052 1.00 0.00 H new ATOM 0 HA THR A 29 4.092 2.504 -18.463 1.00 0.00 H new ATOM 0 HB THR A 29 1.593 3.700 -19.729 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.606 2.884 -17.768 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.701 1.403 -19.642 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.140 1.511 -20.684 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.274 0.819 -19.050 1.00 0.00 H new ATOM 391 N CYS A 30 3.688 3.985 -21.409 1.00 0.00 N ATOM 392 CA CYS A 30 4.114 3.957 -22.803 1.00 0.00 C ATOM 393 C CYS A 30 4.924 5.203 -23.149 1.00 0.00 C ATOM 394 O CYS A 30 5.538 5.281 -24.212 1.00 0.00 O ATOM 395 CB CYS A 30 2.899 3.852 -23.727 1.00 0.00 C ATOM 396 SG CYS A 30 1.421 4.724 -23.114 1.00 0.00 S ATOM 0 H CYS A 30 3.044 4.742 -21.180 1.00 0.00 H new ATOM 0 HA CYS A 30 4.748 3.082 -22.946 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.164 4.253 -24.705 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.654 2.799 -23.869 1.00 0.00 H new ATOM 0 HG CYS A 30 0.828 3.995 -22.216 1.00 0.00 H new ATOM 401 N ASN A 31 4.919 6.176 -22.243 1.00 0.00 N ATOM 402 CA ASN A 31 5.653 7.419 -22.452 1.00 0.00 C ATOM 403 C ASN A 31 5.135 8.155 -23.684 1.00 0.00 C ATOM 404 O ASN A 31 5.906 8.530 -24.567 1.00 0.00 O ATOM 405 CB ASN A 31 7.148 7.133 -22.607 1.00 0.00 C ATOM 406 CG ASN A 31 7.824 6.856 -21.278 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.235 6.247 -20.384 1.00 0.00 O ATOM 408 ND2 ASN A 31 9.067 7.303 -21.142 1.00 0.00 N ATOM 0 H ASN A 31 4.415 6.128 -21.358 1.00 0.00 H new ATOM 0 HA ASN A 31 5.500 8.054 -21.579 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.285 6.276 -23.267 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.630 7.985 -23.086 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.573 7.146 -20.270 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.516 7.803 -21.909 1.00 0.00 H new ATOM 415 N VAL A 32 3.822 8.361 -23.735 1.00 0.00 N ATOM 416 CA VAL A 32 3.201 9.054 -24.857 1.00 0.00 C ATOM 417 C VAL A 32 1.849 9.637 -24.462 1.00 0.00 C ATOM 418 O VAL A 32 0.919 8.904 -24.123 1.00 0.00 O ATOM 419 CB VAL A 32 3.009 8.114 -26.062 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.329 7.899 -26.787 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.416 6.787 -25.613 1.00 0.00 C ATOM 0 H VAL A 32 3.169 8.058 -23.013 1.00 0.00 H new ATOM 0 HA VAL A 32 3.874 9.863 -25.141 1.00 0.00 H new ATOM 0 HB VAL A 32 2.312 8.581 -26.758 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.174 7.232 -27.635 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.709 8.857 -27.143 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.051 7.454 -26.103 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.287 6.135 -26.477 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.087 6.312 -24.897 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.448 6.961 -25.143 1.00 0.00 H new ATOM 431 N VAL A 33 1.745 10.962 -24.507 1.00 0.00 N ATOM 432 CA VAL A 33 0.506 11.644 -24.155 1.00 0.00 C ATOM 433 C VAL A 33 0.567 13.121 -24.529 1.00 0.00 C ATOM 434 O VAL A 33 1.562 13.594 -25.078 1.00 0.00 O ATOM 435 CB VAL A 33 0.204 11.518 -22.650 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.724 10.342 -22.388 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.495 11.376 -21.858 1.00 0.00 C ATOM 0 H VAL A 33 2.505 11.584 -24.784 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.292 11.162 -24.719 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.299 12.427 -22.321 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.926 10.269 -21.319 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.661 10.491 -22.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.251 9.422 -22.732 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.263 11.288 -20.797 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.028 10.484 -22.188 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.120 12.254 -22.021 1.00 0.00 H new ATOM 447 N THR A 34 -0.505 13.847 -24.227 1.00 0.00 N ATOM 448 CA THR A 34 -0.575 15.271 -24.531 1.00 0.00 C ATOM 449 C THR A 34 0.793 15.929 -24.396 1.00 0.00 C ATOM 450 O THR A 34 1.539 15.645 -23.459 1.00 0.00 O ATOM 451 CB THR A 34 -1.574 15.994 -23.608 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.834 15.315 -23.621 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.765 17.439 -24.044 1.00 0.00 C ATOM 0 H THR A 34 -1.337 13.472 -23.772 1.00 0.00 H new ATOM 0 HA THR A 34 -0.917 15.358 -25.562 1.00 0.00 H new ATOM 0 HB THR A 34 -1.170 15.987 -22.596 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.560 15.973 -23.624 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.475 17.929 -23.378 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.809 17.961 -24.003 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.149 17.464 -25.064 1.00 0.00 H new ATOM 461 N ARG A 35 1.116 16.810 -25.337 1.00 0.00 N ATOM 462 CA ARG A 35 2.396 17.508 -25.324 1.00 0.00 C ATOM 463 C ARG A 35 2.708 18.043 -23.929 1.00 0.00 C ATOM 464 O ARG A 35 3.869 18.122 -23.528 1.00 0.00 O ATOM 465 CB ARG A 35 2.384 18.659 -26.332 1.00 0.00 C ATOM 466 CG ARG A 35 2.708 18.227 -27.752 1.00 0.00 C ATOM 467 CD ARG A 35 2.580 19.386 -28.729 1.00 0.00 C ATOM 468 NE ARG A 35 1.224 19.927 -28.761 1.00 0.00 N ATOM 469 CZ ARG A 35 0.702 20.540 -29.818 1.00 0.00 C ATOM 470 NH1 ARG A 35 1.419 20.687 -30.924 1.00 0.00 N ATOM 471 NH2 ARG A 35 -0.539 21.006 -29.770 1.00 0.00 N ATOM 0 H ARG A 35 0.509 17.057 -26.118 1.00 0.00 H new ATOM 0 HA ARG A 35 3.173 16.797 -25.605 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.402 19.131 -26.320 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.105 19.414 -26.017 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.722 17.828 -27.790 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.037 17.422 -28.051 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.279 20.175 -28.449 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.860 19.051 -29.728 1.00 0.00 H new ATOM 0 HE ARG A 35 0.646 19.829 -27.926 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.373 20.329 -30.964 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.016 21.158 -31.734 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.093 20.894 -28.921 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.939 21.476 -30.582 1.00 0.00 H new ATOM 485 N LYS A 36 1.663 18.409 -23.194 1.00 0.00 N ATOM 486 CA LYS A 36 1.824 18.936 -21.844 1.00 0.00 C ATOM 487 C LYS A 36 1.795 17.811 -20.814 1.00 0.00 C ATOM 488 O LYS A 36 2.336 17.946 -19.716 1.00 0.00 O ATOM 489 CB LYS A 36 0.723 19.952 -21.536 1.00 0.00 C ATOM 490 CG LYS A 36 1.096 21.381 -21.893 1.00 0.00 C ATOM 491 CD LYS A 36 0.169 22.383 -21.226 1.00 0.00 C ATOM 492 CE LYS A 36 0.677 22.781 -19.849 1.00 0.00 C ATOM 493 NZ LYS A 36 1.862 23.680 -19.934 1.00 0.00 N ATOM 0 H LYS A 36 0.695 18.350 -23.511 1.00 0.00 H new ATOM 0 HA LYS A 36 2.793 19.432 -21.788 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.179 19.674 -22.081 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.482 19.903 -20.474 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.124 21.576 -21.588 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.054 21.509 -22.975 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.079 23.270 -21.852 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.829 21.954 -21.137 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.120 23.281 -19.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.940 21.886 -19.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.024 24.130 -19.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.700 23.125 -20.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.690 24.414 -20.651 1.00 0.00 H new ATOM 507 N THR A 37 1.161 16.700 -21.176 1.00 0.00 N ATOM 508 CA THR A 37 1.062 15.552 -20.284 1.00 0.00 C ATOM 509 C THR A 37 0.525 15.962 -18.917 1.00 0.00 C ATOM 510 O THR A 37 1.089 15.601 -17.883 1.00 0.00 O ATOM 511 CB THR A 37 2.428 14.863 -20.100 1.00 0.00 C ATOM 512 OG1 THR A 37 3.276 15.669 -19.275 1.00 0.00 O ATOM 513 CG2 THR A 37 3.098 14.623 -21.445 1.00 0.00 C ATOM 0 H THR A 37 0.708 16.571 -22.081 1.00 0.00 H new ATOM 0 HA THR A 37 0.369 14.851 -20.749 1.00 0.00 H new ATOM 0 HB THR A 37 2.263 13.900 -19.617 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.846 16.534 -19.111 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.061 14.136 -21.290 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.463 13.985 -22.059 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.251 15.576 -21.950 1.00 0.00 H new ATOM 521 N LEU A 38 -0.567 16.718 -18.919 1.00 0.00 N ATOM 522 CA LEU A 38 -1.182 17.177 -17.678 1.00 0.00 C ATOM 523 C LEU A 38 -2.670 16.843 -17.650 1.00 0.00 C ATOM 524 O LEU A 38 -3.118 16.024 -16.848 1.00 0.00 O ATOM 525 CB LEU A 38 -0.983 18.685 -17.515 1.00 0.00 C ATOM 526 CG LEU A 38 -0.809 19.188 -16.082 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.936 18.680 -15.197 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.542 18.760 -15.527 1.00 0.00 C ATOM 0 H LEU A 38 -1.045 17.026 -19.766 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.698 16.661 -16.849 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.106 18.980 -18.091 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.840 19.194 -17.956 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.847 20.277 -16.093 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.795 19.048 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.891 19.037 -15.583 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.931 17.590 -15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.649 19.127 -14.506 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.609 17.672 -15.531 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.338 19.174 -16.146 1.00 0.00 H new ATOM 540 N VAL A 39 -3.431 17.480 -18.535 1.00 0.00 N ATOM 541 CA VAL A 39 -4.868 17.248 -18.615 1.00 0.00 C ATOM 542 C VAL A 39 -5.172 15.913 -19.287 1.00 0.00 C ATOM 543 O VAL A 39 -5.997 15.138 -18.806 1.00 0.00 O ATOM 544 CB VAL A 39 -5.576 18.374 -19.390 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.438 19.698 -18.654 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.020 18.480 -20.802 1.00 0.00 C ATOM 0 H VAL A 39 -3.076 18.161 -19.206 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.244 17.230 -17.592 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.637 18.132 -19.458 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.945 20.482 -19.217 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.888 19.613 -17.665 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.382 19.949 -18.552 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.532 19.281 -21.335 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.953 18.698 -20.757 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.176 17.537 -21.326 1.00 0.00 H new ATOM 556 N GLY A 40 -4.499 15.652 -20.403 1.00 0.00 N ATOM 557 CA GLY A 40 -4.711 14.410 -21.124 1.00 0.00 C ATOM 558 C GLY A 40 -4.044 13.228 -20.451 1.00 0.00 C ATOM 559 O GLY A 40 -4.538 12.102 -20.522 1.00 0.00 O ATOM 0 H GLY A 40 -3.811 16.278 -20.821 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.781 14.220 -21.208 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.325 14.512 -22.138 1.00 0.00 H new ATOM 563 N LEU A 41 -2.916 13.481 -19.796 1.00 0.00 N ATOM 564 CA LEU A 41 -2.177 12.428 -19.108 1.00 0.00 C ATOM 565 C LEU A 41 -3.099 11.622 -18.198 1.00 0.00 C ATOM 566 O LEU A 41 -2.995 10.398 -18.119 1.00 0.00 O ATOM 567 CB LEU A 41 -1.034 13.031 -18.290 1.00 0.00 C ATOM 568 CG LEU A 41 -0.372 12.100 -17.274 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.553 11.116 -17.974 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.392 12.904 -16.232 1.00 0.00 C ATOM 0 H LEU A 41 -2.493 14.407 -19.727 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.762 11.757 -19.861 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.268 13.386 -18.980 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.415 13.904 -17.759 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.153 11.534 -16.766 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.015 10.462 -17.235 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.021 10.517 -18.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.329 11.664 -18.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.857 12.225 -15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.163 13.497 -16.724 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.296 13.567 -15.708 1.00 0.00 H new ATOM 582 N LYS A 42 -4.001 12.317 -17.514 1.00 0.00 N ATOM 583 CA LYS A 42 -4.945 11.667 -16.612 1.00 0.00 C ATOM 584 C LYS A 42 -6.004 10.897 -17.394 1.00 0.00 C ATOM 585 O LYS A 42 -6.238 9.714 -17.145 1.00 0.00 O ATOM 586 CB LYS A 42 -5.616 12.704 -15.709 1.00 0.00 C ATOM 587 CG LYS A 42 -4.661 13.371 -14.735 1.00 0.00 C ATOM 588 CD LYS A 42 -5.195 14.712 -14.260 1.00 0.00 C ATOM 589 CE LYS A 42 -6.096 14.554 -13.044 1.00 0.00 C ATOM 590 NZ LYS A 42 -7.471 14.126 -13.424 1.00 0.00 N ATOM 0 H LYS A 42 -4.099 13.331 -17.567 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.390 10.961 -15.994 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.080 13.469 -16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.416 12.221 -15.148 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.500 12.718 -13.877 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.692 13.513 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.362 15.370 -14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.751 15.190 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.663 13.821 -12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.146 15.499 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.148 14.456 -12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.719 14.535 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.508 13.088 -13.484 1.00 0.00 H new ATOM 604 N LYS A 43 -6.641 11.575 -18.343 1.00 0.00 N ATOM 605 CA LYS A 43 -7.673 10.954 -19.165 1.00 0.00 C ATOM 606 C LYS A 43 -7.101 9.794 -19.973 1.00 0.00 C ATOM 607 O LYS A 43 -7.835 8.902 -20.402 1.00 0.00 O ATOM 608 CB LYS A 43 -8.294 11.989 -20.107 1.00 0.00 C ATOM 609 CG LYS A 43 -9.480 12.724 -19.507 1.00 0.00 C ATOM 610 CD LYS A 43 -9.032 13.868 -18.613 1.00 0.00 C ATOM 611 CE LYS A 43 -8.873 15.160 -19.400 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.860 16.354 -18.509 1.00 0.00 N ATOM 0 H LYS A 43 -6.461 12.555 -18.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.446 10.565 -18.502 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.532 12.715 -20.388 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.612 11.490 -21.022 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.112 13.111 -20.306 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.088 12.027 -18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.760 14.014 -17.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.085 13.611 -18.138 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.947 15.124 -19.973 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.689 15.251 -20.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.750 17.214 -19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.754 16.402 -17.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.067 16.280 -17.841 1.00 0.00 H new ATOM 626 N HIS A 44 -5.788 9.810 -20.176 1.00 0.00 N ATOM 627 CA HIS A 44 -5.117 8.758 -20.931 1.00 0.00 C ATOM 628 C HIS A 44 -4.902 7.521 -20.064 1.00 0.00 C ATOM 629 O HIS A 44 -5.439 6.451 -20.349 1.00 0.00 O ATOM 630 CB HIS A 44 -3.776 9.260 -21.466 1.00 0.00 C ATOM 631 CG HIS A 44 -2.908 8.173 -22.021 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.814 7.899 -23.369 1.00 0.00 N ATOM 633 CD2 HIS A 44 -2.090 7.290 -21.401 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.977 6.894 -23.554 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.524 6.506 -22.376 1.00 0.00 N ATOM 0 H HIS A 44 -5.167 10.540 -19.828 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.755 8.485 -21.772 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.959 10.001 -22.244 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.241 9.767 -20.663 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.915 7.216 -20.338 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.709 6.463 -24.507 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.861 5.747 -22.216 1.00 0.00 H new ATOM 643 N MET A 45 -4.113 7.675 -19.007 1.00 0.00 N ATOM 644 CA MET A 45 -3.827 6.570 -18.099 1.00 0.00 C ATOM 645 C MET A 45 -5.082 5.744 -17.836 1.00 0.00 C ATOM 646 O MET A 45 -5.001 4.552 -17.545 1.00 0.00 O ATOM 647 CB MET A 45 -3.265 7.099 -16.778 1.00 0.00 C ATOM 648 CG MET A 45 -4.308 7.770 -15.899 1.00 0.00 C ATOM 649 SD MET A 45 -3.828 7.812 -14.161 1.00 0.00 S ATOM 650 CE MET A 45 -2.301 8.744 -14.254 1.00 0.00 C ATOM 0 H MET A 45 -3.660 8.554 -18.757 1.00 0.00 H new ATOM 0 HA MET A 45 -3.083 5.928 -18.571 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.815 6.273 -16.227 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.468 7.812 -16.991 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.474 8.788 -16.251 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.256 7.241 -15.998 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.700 8.547 -13.367 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.745 8.444 -15.143 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.527 9.809 -14.310 1.00 0.00 H new ATOM 660 N GLU A 46 -6.241 6.387 -17.940 1.00 0.00 N ATOM 661 CA GLU A 46 -7.513 5.711 -17.712 1.00 0.00 C ATOM 662 C GLU A 46 -7.570 4.389 -18.473 1.00 0.00 C ATOM 663 O GLU A 46 -7.770 3.328 -17.881 1.00 0.00 O ATOM 664 CB GLU A 46 -8.677 6.608 -18.139 1.00 0.00 C ATOM 665 CG GLU A 46 -8.726 7.934 -17.398 1.00 0.00 C ATOM 666 CD GLU A 46 -8.419 7.788 -15.920 1.00 0.00 C ATOM 667 OE1 GLU A 46 -9.337 7.425 -15.156 1.00 0.00 O ATOM 668 OE2 GLU A 46 -7.260 8.039 -15.528 1.00 0.00 O ATOM 0 H GLU A 46 -6.325 7.375 -18.181 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.598 5.501 -16.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.602 6.802 -19.209 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.614 6.075 -17.976 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.011 8.624 -17.847 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.715 8.377 -17.518 1.00 0.00 H new ATOM 675 N VAL A 47 -7.393 4.462 -19.788 1.00 0.00 N ATOM 676 CA VAL A 47 -7.423 3.272 -20.630 1.00 0.00 C ATOM 677 C VAL A 47 -6.057 2.597 -20.678 1.00 0.00 C ATOM 678 O VAL A 47 -5.955 1.371 -20.614 1.00 0.00 O ATOM 679 CB VAL A 47 -7.866 3.612 -22.066 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.254 4.233 -22.064 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.858 4.541 -22.728 1.00 0.00 C ATOM 0 H VAL A 47 -7.227 5.332 -20.293 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.147 2.589 -20.186 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.909 2.688 -22.643 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.550 4.466 -23.087 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.966 3.530 -21.632 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.242 5.148 -21.472 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.186 4.771 -23.742 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.782 5.464 -22.153 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.883 4.054 -22.764 1.00 0.00 H new ATOM 691 N CYS A 48 -5.008 3.404 -20.789 1.00 0.00 N ATOM 692 CA CYS A 48 -3.646 2.886 -20.845 1.00 0.00 C ATOM 693 C CYS A 48 -3.515 1.612 -20.017 1.00 0.00 C ATOM 694 O CYS A 48 -3.063 0.581 -20.514 1.00 0.00 O ATOM 695 CB CYS A 48 -2.657 3.939 -20.342 1.00 0.00 C ATOM 696 SG CYS A 48 -0.907 3.480 -20.561 1.00 0.00 S ATOM 0 H CYS A 48 -5.075 4.420 -20.842 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.416 2.648 -21.884 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.844 4.877 -20.865 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.844 4.122 -19.284 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.158 4.528 -20.385 1.00 0.00 H new ATOM 701 N GLN A 49 -3.913 1.691 -18.751 1.00 0.00 N ATOM 702 CA GLN A 49 -3.839 0.544 -17.854 1.00 0.00 C ATOM 703 C GLN A 49 -4.411 -0.704 -18.518 1.00 0.00 C ATOM 704 O GLN A 49 -3.758 -1.747 -18.570 1.00 0.00 O ATOM 705 CB GLN A 49 -4.593 0.836 -16.556 1.00 0.00 C ATOM 706 CG GLN A 49 -4.739 -0.377 -15.651 1.00 0.00 C ATOM 707 CD GLN A 49 -5.608 -0.100 -14.440 1.00 0.00 C ATOM 708 OE1 GLN A 49 -6.769 -0.507 -14.388 1.00 0.00 O ATOM 709 NE2 GLN A 49 -5.049 0.596 -13.457 1.00 0.00 N ATOM 0 H GLN A 49 -4.290 2.537 -18.324 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.789 0.362 -17.623 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.072 1.624 -16.012 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.584 1.219 -16.800 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.168 -1.201 -16.221 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.752 -0.699 -15.319 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.083 0.914 -13.542 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.585 0.813 -12.617 1.00 0.00 H new ATOM 718 N LYS A 50 -5.634 -0.591 -19.025 1.00 0.00 N ATOM 719 CA LYS A 50 -6.294 -1.709 -19.687 1.00 0.00 C ATOM 720 C LYS A 50 -5.399 -2.308 -20.767 1.00 0.00 C ATOM 721 O LYS A 50 -5.213 -3.525 -20.829 1.00 0.00 O ATOM 722 CB LYS A 50 -7.619 -1.254 -20.303 1.00 0.00 C ATOM 723 CG LYS A 50 -8.704 -0.977 -19.277 1.00 0.00 C ATOM 724 CD LYS A 50 -9.684 0.073 -19.771 1.00 0.00 C ATOM 725 CE LYS A 50 -10.744 -0.535 -20.677 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.254 0.449 -21.672 1.00 0.00 N ATOM 0 H LYS A 50 -6.188 0.265 -18.990 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.492 -2.476 -18.938 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.446 -0.352 -20.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.971 -2.020 -20.994 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.240 -1.900 -19.055 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.248 -0.641 -18.346 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.165 0.553 -18.919 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.144 0.850 -20.312 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.325 -1.396 -21.199 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.573 -0.902 -20.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.974 -0.004 -22.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.676 1.259 -21.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.468 0.780 -22.267 1.00 0.00 H new ATOM 740 N LEU A 51 -4.845 -1.448 -21.614 1.00 0.00 N ATOM 741 CA LEU A 51 -3.967 -1.893 -22.691 1.00 0.00 C ATOM 742 C LEU A 51 -2.726 -2.581 -22.133 1.00 0.00 C ATOM 743 O LEU A 51 -2.373 -3.681 -22.555 1.00 0.00 O ATOM 744 CB LEU A 51 -3.557 -0.705 -23.564 1.00 0.00 C ATOM 745 CG LEU A 51 -4.541 -0.310 -24.666 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.097 0.978 -25.341 1.00 0.00 C ATOM 747 CD2 LEU A 51 -4.677 -1.430 -25.687 1.00 0.00 C ATOM 0 H LEU A 51 -4.988 -0.439 -21.576 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.515 -2.612 -23.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.401 0.159 -22.917 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.597 -0.934 -24.027 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.517 -0.140 -24.211 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.809 1.244 -26.122 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.053 1.779 -24.603 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.110 0.836 -25.782 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.381 -1.131 -26.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.705 -1.632 -26.137 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.042 -2.330 -25.193 1.00 0.00 H new ATOM 759 N GLN A 52 -2.070 -1.925 -21.180 1.00 0.00 N ATOM 760 CA GLN A 52 -0.869 -2.476 -20.563 1.00 0.00 C ATOM 761 C GLN A 52 -0.955 -3.995 -20.465 1.00 0.00 C ATOM 762 O GLN A 52 -0.009 -4.704 -20.811 1.00 0.00 O ATOM 763 CB GLN A 52 -0.664 -1.874 -19.172 1.00 0.00 C ATOM 764 CG GLN A 52 0.795 -1.794 -18.753 1.00 0.00 C ATOM 765 CD GLN A 52 0.963 -1.599 -17.259 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.012 -1.744 -16.491 1.00 0.00 O ATOM 767 NE2 GLN A 52 2.179 -1.269 -16.838 1.00 0.00 N ATOM 0 H GLN A 52 -2.350 -1.013 -20.819 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.017 -2.219 -21.192 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.095 -0.873 -19.151 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.211 -2.471 -18.442 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.307 -2.707 -19.056 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.276 -0.969 -19.280 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.939 -1.159 -17.510 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.353 -1.126 -15.843 1.00 0.00 H new ATOM 776 N ASP A 53 -2.093 -4.489 -19.992 1.00 0.00 N ATOM 777 CA ASP A 53 -2.303 -5.926 -19.849 1.00 0.00 C ATOM 778 C ASP A 53 -2.133 -6.635 -21.189 1.00 0.00 C ATOM 779 O ASP A 53 -1.423 -7.636 -21.287 1.00 0.00 O ATOM 780 CB ASP A 53 -3.695 -6.206 -19.283 1.00 0.00 C ATOM 781 CG ASP A 53 -3.760 -7.519 -18.527 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.763 -7.870 -17.862 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.808 -8.194 -18.601 1.00 0.00 O ATOM 0 H ASP A 53 -2.885 -3.916 -19.701 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.554 -6.311 -19.157 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.984 -5.392 -18.618 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.419 -6.223 -20.098 1.00 0.00 H new ATOM 788 N ALA A 54 -2.790 -6.111 -22.218 1.00 0.00 N ATOM 789 CA ALA A 54 -2.711 -6.693 -23.552 1.00 0.00 C ATOM 790 C ALA A 54 -1.264 -6.788 -24.025 1.00 0.00 C ATOM 791 O ALA A 54 -0.801 -7.855 -24.430 1.00 0.00 O ATOM 792 CB ALA A 54 -3.537 -5.877 -24.534 1.00 0.00 C ATOM 0 H ALA A 54 -3.383 -5.284 -22.153 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.117 -7.703 -23.505 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.469 -6.323 -25.526 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -4.578 -5.866 -24.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.157 -4.856 -24.569 1.00 0.00 H new ATOM 798 N LEU A 55 -0.555 -5.666 -23.971 1.00 0.00 N ATOM 799 CA LEU A 55 0.841 -5.622 -24.395 1.00 0.00 C ATOM 800 C LEU A 55 1.675 -6.642 -23.627 1.00 0.00 C ATOM 801 O LEU A 55 2.549 -7.299 -24.193 1.00 0.00 O ATOM 802 CB LEU A 55 1.413 -4.219 -24.189 1.00 0.00 C ATOM 803 CG LEU A 55 1.125 -3.207 -25.299 1.00 0.00 C ATOM 804 CD1 LEU A 55 1.811 -3.623 -26.591 1.00 0.00 C ATOM 805 CD2 LEU A 55 -0.374 -3.061 -25.512 1.00 0.00 C ATOM 0 H LEU A 55 -0.923 -4.775 -23.638 1.00 0.00 H new ATOM 0 HA LEU A 55 0.881 -5.872 -25.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.021 -3.822 -23.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.494 -4.302 -24.072 1.00 0.00 H new ATOM 0 HG LEU A 55 1.524 -2.239 -24.995 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.595 -2.891 -27.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.888 -3.675 -26.431 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.442 -4.601 -26.900 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.560 -2.337 -26.305 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.797 -4.025 -25.794 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.841 -2.716 -24.589 1.00 0.00 H new ATOM 817 N LYS A 56 1.399 -6.771 -22.333 1.00 0.00 N ATOM 818 CA LYS A 56 2.121 -7.713 -21.486 1.00 0.00 C ATOM 819 C LYS A 56 2.180 -9.093 -22.134 1.00 0.00 C ATOM 820 O LYS A 56 1.159 -9.767 -22.277 1.00 0.00 O ATOM 821 CB LYS A 56 1.453 -7.811 -20.113 1.00 0.00 C ATOM 822 CG LYS A 56 2.167 -8.749 -19.155 1.00 0.00 C ATOM 823 CD LYS A 56 1.855 -8.411 -17.707 1.00 0.00 C ATOM 824 CE LYS A 56 2.853 -7.413 -17.140 1.00 0.00 C ATOM 825 NZ LYS A 56 2.918 -7.477 -15.654 1.00 0.00 N ATOM 0 H LYS A 56 0.680 -6.234 -21.848 1.00 0.00 H new ATOM 0 HA LYS A 56 3.140 -7.345 -21.363 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.408 -6.817 -19.669 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.425 -8.150 -20.242 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.870 -9.777 -19.362 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.243 -8.689 -19.320 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.848 -8.000 -17.637 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.870 -9.322 -17.108 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.841 -7.611 -17.556 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.574 -6.405 -17.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.609 -6.782 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.981 -7.263 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.209 -8.431 -15.360 1.00 0.00 H new ATOM 839 N CYS A 57 3.380 -9.508 -22.524 1.00 0.00 N ATOM 840 CA CYS A 57 3.573 -10.808 -23.155 1.00 0.00 C ATOM 841 C CYS A 57 3.074 -11.931 -22.251 1.00 0.00 C ATOM 842 O CYS A 57 2.505 -11.679 -21.189 1.00 0.00 O ATOM 843 CB CYS A 57 5.051 -11.023 -23.486 1.00 0.00 C ATOM 844 SG CYS A 57 5.340 -12.061 -24.955 1.00 0.00 S ATOM 0 H CYS A 57 4.235 -8.962 -22.414 1.00 0.00 H new ATOM 0 HA CYS A 57 2.995 -10.825 -24.079 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.522 -10.053 -23.641 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.542 -11.482 -22.628 1.00 0.00 H new ATOM 0 HG CYS A 57 6.483 -11.748 -25.489 1.00 0.00 H new ATOM 849 N GLN A 58 3.292 -13.170 -22.681 1.00 0.00 N ATOM 850 CA GLN A 58 2.864 -14.331 -21.910 1.00 0.00 C ATOM 851 C GLN A 58 4.063 -15.165 -21.470 1.00 0.00 C ATOM 852 O GLN A 58 4.205 -15.492 -20.291 1.00 0.00 O ATOM 853 CB GLN A 58 1.905 -15.192 -22.735 1.00 0.00 C ATOM 854 CG GLN A 58 0.443 -14.815 -22.558 1.00 0.00 C ATOM 855 CD GLN A 58 0.040 -13.625 -23.406 1.00 0.00 C ATOM 856 OE1 GLN A 58 0.736 -12.610 -23.442 1.00 0.00 O ATOM 857 NE2 GLN A 58 -1.089 -13.743 -24.094 1.00 0.00 N ATOM 0 H GLN A 58 3.762 -13.395 -23.558 1.00 0.00 H new ATOM 0 HA GLN A 58 2.347 -13.973 -21.020 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.169 -15.106 -23.789 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.038 -16.238 -22.457 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.182 -15.669 -22.817 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.255 -14.589 -21.509 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.635 -14.603 -24.035 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.411 -12.974 -24.682 1.00 0.00 H new ATOM 866 N HIS A 59 4.923 -15.506 -22.424 1.00 0.00 N ATOM 867 CA HIS A 59 6.111 -16.301 -22.134 1.00 0.00 C ATOM 868 C HIS A 59 7.123 -15.492 -21.329 1.00 0.00 C ATOM 869 O HIS A 59 7.759 -16.011 -20.411 1.00 0.00 O ATOM 870 CB HIS A 59 6.751 -16.792 -23.433 1.00 0.00 C ATOM 871 CG HIS A 59 5.989 -17.899 -24.095 1.00 0.00 C ATOM 872 ND1 HIS A 59 6.356 -19.225 -24.003 1.00 0.00 N ATOM 873 CD2 HIS A 59 4.874 -17.872 -24.861 1.00 0.00 C ATOM 874 CE1 HIS A 59 5.501 -19.965 -24.685 1.00 0.00 C ATOM 875 NE2 HIS A 59 4.591 -19.168 -25.215 1.00 0.00 N ATOM 0 H HIS A 59 4.820 -15.244 -23.404 1.00 0.00 H new ATOM 0 HA HIS A 59 5.806 -17.162 -21.540 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.835 -15.955 -24.126 1.00 0.00 H new ATOM 0 HB3 HIS A 59 7.764 -17.135 -23.222 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.311 -16.994 -25.142 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.539 -21.039 -24.791 1.00 0.00 H new ATOM 0 HE2 HIS A 59 3.806 -19.467 -25.793 1.00 0.00 H new ATOM 883 N CYS A 60 7.268 -14.219 -21.679 1.00 0.00 N ATOM 884 CA CYS A 60 8.204 -13.338 -20.990 1.00 0.00 C ATOM 885 C CYS A 60 7.472 -12.430 -20.006 1.00 0.00 C ATOM 886 O CYS A 60 8.096 -11.691 -19.244 1.00 0.00 O ATOM 887 CB CYS A 60 8.979 -12.492 -22.001 1.00 0.00 C ATOM 888 SG CYS A 60 8.077 -11.022 -22.588 1.00 0.00 S ATOM 0 H CYS A 60 6.749 -13.774 -22.436 1.00 0.00 H new ATOM 0 HA CYS A 60 8.905 -13.959 -20.432 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.917 -12.172 -21.548 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.235 -13.114 -22.859 1.00 0.00 H new ATOM 0 HG CYS A 60 8.264 -10.880 -23.867 1.00 0.00 H new ATOM 893 N ARG A 61 6.144 -12.491 -20.028 1.00 0.00 N ATOM 894 CA ARG A 61 5.327 -11.674 -19.139 1.00 0.00 C ATOM 895 C ARG A 61 5.987 -10.322 -18.882 1.00 0.00 C ATOM 896 O ARG A 61 5.997 -9.828 -17.755 1.00 0.00 O ATOM 897 CB ARG A 61 5.095 -12.400 -17.813 1.00 0.00 C ATOM 898 CG ARG A 61 4.541 -13.806 -17.977 1.00 0.00 C ATOM 899 CD ARG A 61 3.687 -14.211 -16.786 1.00 0.00 C ATOM 900 NE ARG A 61 3.716 -15.653 -16.557 1.00 0.00 N ATOM 901 CZ ARG A 61 2.756 -16.316 -15.922 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.696 -15.669 -15.455 1.00 0.00 N ATOM 903 NH2 ARG A 61 2.854 -17.628 -15.752 1.00 0.00 N ATOM 0 H ARG A 61 5.612 -13.098 -20.652 1.00 0.00 H new ATOM 0 HA ARG A 61 4.366 -11.503 -19.625 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.037 -12.451 -17.267 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.405 -11.815 -17.204 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.945 -13.859 -18.888 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.364 -14.511 -18.093 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.041 -13.695 -15.894 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.658 -13.891 -16.952 1.00 0.00 H new ATOM 0 HE ARG A 61 4.518 -16.180 -16.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.617 -14.660 -15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.960 -16.180 -14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.667 -18.129 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.116 -18.136 -15.264 1.00 0.00 H new ATOM 917 N LYS A 62 6.539 -9.730 -19.936 1.00 0.00 N ATOM 918 CA LYS A 62 7.202 -8.435 -19.826 1.00 0.00 C ATOM 919 C LYS A 62 6.339 -7.330 -20.428 1.00 0.00 C ATOM 920 O LYS A 62 5.467 -7.593 -21.255 1.00 0.00 O ATOM 921 CB LYS A 62 8.562 -8.474 -20.527 1.00 0.00 C ATOM 922 CG LYS A 62 9.352 -7.184 -20.394 1.00 0.00 C ATOM 923 CD LYS A 62 10.643 -7.236 -21.193 1.00 0.00 C ATOM 924 CE LYS A 62 11.690 -6.291 -20.622 1.00 0.00 C ATOM 925 NZ LYS A 62 13.074 -6.779 -20.873 1.00 0.00 N ATOM 0 H LYS A 62 6.541 -10.126 -20.876 1.00 0.00 H new ATOM 0 HA LYS A 62 7.352 -8.220 -18.768 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.150 -9.294 -20.115 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.410 -8.690 -21.585 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.744 -6.347 -20.737 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.580 -7.003 -19.344 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.032 -8.254 -21.193 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.441 -6.972 -22.231 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.567 -5.303 -21.065 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.533 -6.181 -19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.758 -6.108 -20.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.200 -7.711 -20.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.233 -6.860 -21.898 1.00 0.00 H new ATOM 939 N GLN A 63 6.591 -6.095 -20.008 1.00 0.00 N ATOM 940 CA GLN A 63 5.837 -4.951 -20.508 1.00 0.00 C ATOM 941 C GLN A 63 6.501 -4.360 -21.747 1.00 0.00 C ATOM 942 O GLN A 63 7.726 -4.258 -21.819 1.00 0.00 O ATOM 943 CB GLN A 63 5.716 -3.880 -19.421 1.00 0.00 C ATOM 944 CG GLN A 63 4.507 -2.974 -19.593 1.00 0.00 C ATOM 945 CD GLN A 63 4.666 -2.001 -20.744 1.00 0.00 C ATOM 946 OE1 GLN A 63 5.706 -1.358 -20.890 1.00 0.00 O ATOM 947 NE2 GLN A 63 3.633 -1.888 -21.571 1.00 0.00 N ATOM 0 H GLN A 63 7.310 -5.861 -19.324 1.00 0.00 H new ATOM 0 HA GLN A 63 4.840 -5.297 -20.782 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.660 -4.367 -18.447 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.620 -3.270 -19.421 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.620 -3.586 -19.759 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.342 -2.416 -18.671 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.790 -2.440 -21.413 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.683 -1.249 -22.365 1.00 0.00 H new ATOM 956 N PHE A 64 5.685 -3.973 -22.722 1.00 0.00 N ATOM 957 CA PHE A 64 6.193 -3.394 -23.960 1.00 0.00 C ATOM 958 C PHE A 64 5.536 -2.046 -24.240 1.00 0.00 C ATOM 959 O PHE A 64 4.349 -1.854 -23.976 1.00 0.00 O ATOM 960 CB PHE A 64 5.948 -4.347 -25.132 1.00 0.00 C ATOM 961 CG PHE A 64 6.975 -5.437 -25.244 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.973 -6.503 -24.359 1.00 0.00 C ATOM 963 CD2 PHE A 64 7.943 -5.395 -26.234 1.00 0.00 C ATOM 964 CE1 PHE A 64 7.917 -7.508 -24.459 1.00 0.00 C ATOM 965 CE2 PHE A 64 8.889 -6.397 -26.340 1.00 0.00 C ATOM 966 CZ PHE A 64 8.877 -7.454 -25.451 1.00 0.00 C ATOM 0 H PHE A 64 4.669 -4.050 -22.679 1.00 0.00 H new ATOM 0 HA PHE A 64 7.266 -3.238 -23.845 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.962 -4.798 -25.023 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.936 -3.774 -26.059 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.225 -6.549 -23.582 1.00 0.00 H new ATOM 0 HD2 PHE A 64 7.959 -4.570 -26.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.904 -8.334 -23.763 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.637 -6.354 -27.118 1.00 0.00 H new ATOM 0 HZ PHE A 64 9.617 -8.237 -25.531 1.00 0.00 H new ATOM 976 N LYS A 65 6.317 -1.114 -24.775 1.00 0.00 N ATOM 977 CA LYS A 65 5.814 0.217 -25.093 1.00 0.00 C ATOM 978 C LYS A 65 5.575 0.365 -26.592 1.00 0.00 C ATOM 979 O LYS A 65 5.738 1.449 -27.152 1.00 0.00 O ATOM 980 CB LYS A 65 6.800 1.285 -24.614 1.00 0.00 C ATOM 981 CG LYS A 65 6.980 1.315 -23.106 1.00 0.00 C ATOM 982 CD LYS A 65 8.114 0.405 -22.663 1.00 0.00 C ATOM 983 CE LYS A 65 9.455 1.121 -22.714 1.00 0.00 C ATOM 984 NZ LYS A 65 10.587 0.166 -22.870 1.00 0.00 N ATOM 0 H LYS A 65 7.302 -1.256 -24.998 1.00 0.00 H new ATOM 0 HA LYS A 65 4.863 0.352 -24.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.768 1.110 -25.084 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.455 2.263 -24.950 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.184 2.336 -22.783 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.054 1.006 -22.622 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.926 0.055 -21.648 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.146 -0.476 -23.304 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.458 1.827 -23.544 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.592 1.701 -21.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.483 0.692 -22.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.599 -0.492 -22.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.470 -0.370 -23.754 1.00 0.00 H new ATOM 998 N SER A 66 5.185 -0.730 -27.236 1.00 0.00 N ATOM 999 CA SER A 66 4.926 -0.722 -28.671 1.00 0.00 C ATOM 1000 C SER A 66 4.246 -2.016 -29.107 1.00 0.00 C ATOM 1001 O SER A 66 4.729 -3.112 -28.821 1.00 0.00 O ATOM 1002 CB SER A 66 6.232 -0.532 -29.445 1.00 0.00 C ATOM 1003 OG SER A 66 5.992 0.058 -30.711 1.00 0.00 O ATOM 0 H SER A 66 5.041 -1.634 -26.787 1.00 0.00 H new ATOM 0 HA SER A 66 4.258 0.111 -28.891 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.911 0.097 -28.870 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.724 -1.496 -29.577 1.00 0.00 H new ATOM 0 HG SER A 66 6.842 0.171 -31.186 1.00 0.00 H new ATOM 1009 N LYS A 67 3.122 -1.881 -29.802 1.00 0.00 N ATOM 1010 CA LYS A 67 2.374 -3.038 -30.280 1.00 0.00 C ATOM 1011 C LYS A 67 3.158 -3.787 -31.353 1.00 0.00 C ATOM 1012 O LYS A 67 3.267 -5.012 -31.313 1.00 0.00 O ATOM 1013 CB LYS A 67 1.018 -2.599 -30.839 1.00 0.00 C ATOM 1014 CG LYS A 67 -0.051 -3.674 -30.756 1.00 0.00 C ATOM 1015 CD LYS A 67 -1.409 -3.146 -31.186 1.00 0.00 C ATOM 1016 CE LYS A 67 -2.142 -2.484 -30.029 1.00 0.00 C ATOM 1017 NZ LYS A 67 -2.893 -3.474 -29.210 1.00 0.00 N ATOM 0 H LYS A 67 2.709 -0.981 -30.047 1.00 0.00 H new ATOM 0 HA LYS A 67 2.213 -3.709 -29.436 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.678 -1.718 -30.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.143 -2.302 -31.880 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.229 -4.516 -31.388 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.112 -4.049 -29.734 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.281 -2.428 -31.996 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.011 -3.965 -31.579 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.425 -1.959 -29.397 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.833 -1.735 -30.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.379 -2.984 -28.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.595 -3.957 -29.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.231 -4.174 -28.818 1.00 0.00 H new ATOM 1031 N ALA A 68 3.704 -3.043 -32.309 1.00 0.00 N ATOM 1032 CA ALA A 68 4.481 -3.638 -33.389 1.00 0.00 C ATOM 1033 C ALA A 68 5.679 -4.408 -32.844 1.00 0.00 C ATOM 1034 O ALA A 68 6.026 -5.475 -33.349 1.00 0.00 O ATOM 1035 CB ALA A 68 4.941 -2.562 -34.362 1.00 0.00 C ATOM 0 H ALA A 68 3.623 -2.027 -32.358 1.00 0.00 H new ATOM 0 HA ALA A 68 3.840 -4.343 -33.919 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.520 -3.020 -35.164 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.072 -2.058 -34.785 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.561 -1.836 -33.835 1.00 0.00 H new ATOM 1041 N GLY A 69 6.309 -3.859 -31.810 1.00 0.00 N ATOM 1042 CA GLY A 69 7.463 -4.508 -31.214 1.00 0.00 C ATOM 1043 C GLY A 69 7.127 -5.866 -30.632 1.00 0.00 C ATOM 1044 O GLY A 69 7.834 -6.846 -30.873 1.00 0.00 O ATOM 0 H GLY A 69 6.041 -2.977 -31.374 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.242 -4.622 -31.968 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.870 -3.870 -30.429 1.00 0.00 H new ATOM 1048 N LEU A 70 6.047 -5.927 -29.861 1.00 0.00 N ATOM 1049 CA LEU A 70 5.619 -7.176 -29.240 1.00 0.00 C ATOM 1050 C LEU A 70 5.463 -8.277 -30.284 1.00 0.00 C ATOM 1051 O LEU A 70 5.743 -9.445 -30.015 1.00 0.00 O ATOM 1052 CB LEU A 70 4.298 -6.972 -28.495 1.00 0.00 C ATOM 1053 CG LEU A 70 3.766 -8.183 -27.729 1.00 0.00 C ATOM 1054 CD1 LEU A 70 4.572 -8.407 -26.458 1.00 0.00 C ATOM 1055 CD2 LEU A 70 2.291 -8.002 -27.402 1.00 0.00 C ATOM 0 H LEU A 70 5.451 -5.126 -29.651 1.00 0.00 H new ATOM 0 HA LEU A 70 6.386 -7.481 -28.529 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.424 -6.149 -27.792 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.541 -6.662 -29.216 1.00 0.00 H new ATOM 0 HG LEU A 70 3.872 -9.064 -28.362 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.179 -9.273 -25.926 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.616 -8.583 -26.716 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.499 -7.526 -25.821 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.930 -8.874 -26.857 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.161 -7.111 -26.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.724 -7.892 -28.327 1.00 0.00 H new ATOM 1067 N ASN A 71 5.015 -7.897 -31.476 1.00 0.00 N ATOM 1068 CA ASN A 71 4.823 -8.852 -32.561 1.00 0.00 C ATOM 1069 C ASN A 71 6.154 -9.465 -32.987 1.00 0.00 C ATOM 1070 O ASN A 71 6.345 -10.679 -32.903 1.00 0.00 O ATOM 1071 CB ASN A 71 4.157 -8.169 -33.757 1.00 0.00 C ATOM 1072 CG ASN A 71 2.665 -7.987 -33.562 1.00 0.00 C ATOM 1073 OD1 ASN A 71 1.875 -8.885 -33.855 1.00 0.00 O ATOM 1074 ND2 ASN A 71 2.271 -6.821 -33.064 1.00 0.00 N ATOM 0 H ASN A 71 4.778 -6.934 -31.715 1.00 0.00 H new ATOM 0 HA ASN A 71 4.175 -9.650 -32.200 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.621 -7.196 -33.921 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.334 -8.761 -34.655 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.279 -6.641 -32.910 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.960 -6.105 -32.835 1.00 0.00 H new ATOM 1081 N TYR A 72 7.070 -8.619 -33.444 1.00 0.00 N ATOM 1082 CA TYR A 72 8.382 -9.077 -33.885 1.00 0.00 C ATOM 1083 C TYR A 72 9.143 -9.735 -32.738 1.00 0.00 C ATOM 1084 O TYR A 72 9.948 -10.643 -32.951 1.00 0.00 O ATOM 1085 CB TYR A 72 9.193 -7.907 -34.444 1.00 0.00 C ATOM 1086 CG TYR A 72 10.514 -8.322 -35.052 1.00 0.00 C ATOM 1087 CD1 TYR A 72 11.603 -8.632 -34.248 1.00 0.00 C ATOM 1088 CD2 TYR A 72 10.673 -8.402 -36.430 1.00 0.00 C ATOM 1089 CE1 TYR A 72 12.813 -9.011 -34.798 1.00 0.00 C ATOM 1090 CE2 TYR A 72 11.878 -8.781 -36.989 1.00 0.00 C ATOM 1091 CZ TYR A 72 12.945 -9.084 -36.169 1.00 0.00 C ATOM 1092 OH TYR A 72 14.147 -9.461 -36.722 1.00 0.00 O ATOM 0 H TYR A 72 6.928 -7.612 -33.519 1.00 0.00 H new ATOM 0 HA TYR A 72 8.234 -9.817 -34.672 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.600 -7.393 -35.200 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.380 -7.190 -33.644 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.503 -8.576 -33.174 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.840 -8.164 -37.075 1.00 0.00 H new ATOM 0 HE1 TYR A 72 13.650 -9.249 -34.158 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.984 -8.840 -38.062 1.00 0.00 H new ATOM 0 HH TYR A 72 14.071 -9.463 -37.699 1.00 0.00 H new ATOM 1102 N HIS A 73 8.882 -9.271 -31.520 1.00 0.00 N ATOM 1103 CA HIS A 73 9.540 -9.815 -30.337 1.00 0.00 C ATOM 1104 C HIS A 73 9.016 -11.211 -30.017 1.00 0.00 C ATOM 1105 O HIS A 73 9.774 -12.182 -29.999 1.00 0.00 O ATOM 1106 CB HIS A 73 9.327 -8.890 -29.138 1.00 0.00 C ATOM 1107 CG HIS A 73 9.225 -9.616 -27.832 1.00 0.00 C ATOM 1108 ND1 HIS A 73 10.317 -9.891 -27.037 1.00 0.00 N ATOM 1109 CD2 HIS A 73 8.151 -10.123 -27.183 1.00 0.00 C ATOM 1110 CE1 HIS A 73 9.920 -10.537 -25.955 1.00 0.00 C ATOM 1111 NE2 HIS A 73 8.610 -10.691 -26.019 1.00 0.00 N ATOM 0 H HIS A 73 8.220 -8.520 -31.326 1.00 0.00 H new ATOM 0 HA HIS A 73 10.607 -9.886 -30.546 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.152 -8.180 -29.086 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.417 -8.310 -29.294 1.00 0.00 H new ATOM 0 HD1 HIS A 73 11.281 -9.636 -27.251 1.00 0.00 H new ATOM 0 HD2 HIS A 73 7.125 -10.088 -27.518 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.558 -10.881 -25.154 1.00 0.00 H new ATOM 1119 N THR A 74 7.715 -11.306 -29.763 1.00 0.00 N ATOM 1120 CA THR A 74 7.090 -12.583 -29.442 1.00 0.00 C ATOM 1121 C THR A 74 7.483 -13.657 -30.450 1.00 0.00 C ATOM 1122 O THR A 74 7.639 -14.825 -30.096 1.00 0.00 O ATOM 1123 CB THR A 74 5.554 -12.464 -29.408 1.00 0.00 C ATOM 1124 OG1 THR A 74 5.158 -11.511 -28.416 1.00 0.00 O ATOM 1125 CG2 THR A 74 4.914 -13.811 -29.109 1.00 0.00 C ATOM 0 H THR A 74 7.073 -10.513 -29.773 1.00 0.00 H new ATOM 0 HA THR A 74 7.447 -12.869 -28.453 1.00 0.00 H new ATOM 0 HB THR A 74 5.216 -12.128 -30.388 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.413 -10.611 -28.707 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.830 -13.702 -29.090 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.194 -14.526 -29.882 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.260 -14.171 -28.140 1.00 0.00 H new ATOM 1133 N MET A 75 7.642 -13.253 -31.706 1.00 0.00 N ATOM 1134 CA MET A 75 8.019 -14.182 -32.765 1.00 0.00 C ATOM 1135 C MET A 75 9.521 -14.448 -32.745 1.00 0.00 C ATOM 1136 O MET A 75 9.961 -15.587 -32.896 1.00 0.00 O ATOM 1137 CB MET A 75 7.605 -13.629 -34.129 1.00 0.00 C ATOM 1138 CG MET A 75 8.427 -12.429 -34.573 1.00 0.00 C ATOM 1139 SD MET A 75 8.033 -11.900 -36.251 1.00 0.00 S ATOM 1140 CE MET A 75 9.170 -12.908 -37.200 1.00 0.00 C ATOM 0 H MET A 75 7.516 -12.289 -32.015 1.00 0.00 H new ATOM 0 HA MET A 75 7.499 -15.124 -32.590 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.697 -14.418 -34.875 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.553 -13.345 -34.093 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.255 -11.601 -33.885 1.00 0.00 H new ATOM 0 HG3 MET A 75 9.487 -12.677 -34.514 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.047 -12.694 -38.262 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.193 -12.682 -36.901 1.00 0.00 H new ATOM 0 HE3 MET A 75 8.963 -13.962 -37.016 1.00 0.00 H new ATOM 1150 N ALA A 76 10.302 -13.390 -32.557 1.00 0.00 N ATOM 1151 CA ALA A 76 11.755 -13.510 -32.516 1.00 0.00 C ATOM 1152 C ALA A 76 12.212 -14.197 -31.234 1.00 0.00 C ATOM 1153 O ALA A 76 12.807 -15.273 -31.275 1.00 0.00 O ATOM 1154 CB ALA A 76 12.401 -12.139 -32.642 1.00 0.00 C ATOM 0 H ALA A 76 9.954 -12.440 -32.431 1.00 0.00 H new ATOM 0 HA ALA A 76 12.069 -14.126 -33.359 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.486 -12.243 -32.610 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.108 -11.684 -33.588 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.073 -11.505 -31.818 1.00 0.00 H new ATOM 1160 N GLU A 77 11.932 -13.566 -30.098 1.00 0.00 N ATOM 1161 CA GLU A 77 12.317 -14.118 -28.804 1.00 0.00 C ATOM 1162 C GLU A 77 11.662 -15.477 -28.575 1.00 0.00 C ATOM 1163 O GLU A 77 12.346 -16.486 -28.398 1.00 0.00 O ATOM 1164 CB GLU A 77 11.929 -13.156 -27.679 1.00 0.00 C ATOM 1165 CG GLU A 77 13.018 -12.155 -27.331 1.00 0.00 C ATOM 1166 CD GLU A 77 14.389 -12.795 -27.231 1.00 0.00 C ATOM 1167 OE1 GLU A 77 14.526 -13.793 -26.493 1.00 0.00 O ATOM 1168 OE2 GLU A 77 15.325 -12.297 -27.892 1.00 0.00 O ATOM 0 H GLU A 77 11.441 -12.674 -30.047 1.00 0.00 H new ATOM 0 HA GLU A 77 13.399 -14.251 -28.802 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.029 -12.614 -27.970 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.680 -13.733 -26.789 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.041 -11.371 -28.088 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.775 -11.675 -26.383 1.00 0.00 H new ATOM 1175 N HIS A 78 10.333 -15.495 -28.578 1.00 0.00 N ATOM 1176 CA HIS A 78 9.585 -16.729 -28.370 1.00 0.00 C ATOM 1177 C HIS A 78 9.198 -17.361 -29.704 1.00 0.00 C ATOM 1178 O HIS A 78 8.085 -17.168 -30.194 1.00 0.00 O ATOM 1179 CB HIS A 78 8.331 -16.457 -27.539 1.00 0.00 C ATOM 1180 CG HIS A 78 8.544 -15.458 -26.444 1.00 0.00 C ATOM 1181 ND1 HIS A 78 9.718 -15.364 -25.728 1.00 0.00 N ATOM 1182 CD2 HIS A 78 7.724 -14.503 -25.944 1.00 0.00 C ATOM 1183 CE1 HIS A 78 9.611 -14.397 -24.834 1.00 0.00 C ATOM 1184 NE2 HIS A 78 8.410 -13.859 -24.945 1.00 0.00 N ATOM 0 H HIS A 78 9.752 -14.669 -28.722 1.00 0.00 H new ATOM 0 HA HIS A 78 10.226 -17.426 -27.829 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.539 -16.099 -28.197 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.984 -17.394 -27.103 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.541 -15.950 -25.867 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.717 -14.288 -26.271 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.375 -14.098 -24.132 1.00 0.00 H new