USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1024 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 41 SER OG : rot -167:sc= -0.0514 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.101 K(o=0.98,f=-2.4!) USER MOD Set 1.3: A 119 SER OG : rot 12:sc= 1.13 USER MOD Set 2.1: A 19 MET CE :methyl -136:sc= -1.76 (180deg=-0.309) USER MOD Set 2.2: A 115 MET CE :methyl 138:sc= -2.41 (180deg=-0.8) USER MOD Set 3.1: A 94 HIS : no HD1:sc= -1.57! K(o=-3.1!,f=-1.5) USER MOD Set 3.2: A 95 ASN : amide:sc= -1.53 K(o=-3.1,f=-4.7!) USER MOD Single : A 9 GLN : amide:sc= -0.0839 K(o=-0.084,f=-2.1!) USER MOD Single : A 10 GLN : amide:sc= -5.58! C(o=-5.6!,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=-0.00876 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -0.0108 (180deg=-0.612) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0159 (180deg=-0.205) USER MOD Single : A 60 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.373) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 79:sc= -1.33 USER MOD Single : A 83 ASN : amide:sc= -0.86 K(o=-0.86,f=-0.058) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 87 LYS NZ :NH3+ -124:sc= -0.0152 (180deg=-0.322) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 111:sc= 0.452 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 160:sc= 0 USER MOD Single : A 93 THR OG1 : rot 78:sc= 0.57 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -135:sc= 0.0934 USER MOD Single : A 108 GLN : amide:sc= -3.38! X(o=-3.4!,f=-3.4) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -111:sc=-0.00409 (180deg=-0.784) USER MOD Single : A 117 SER OG : rot -48:sc= 0.42 USER MOD Single : A 120 TYR OH : rot 90:sc= -0.126 USER MOD Single : A 126 SER OG : rot 34:sc= 1.04 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot -30:sc= -0.802 USER MOD Single : A 130 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 9 -18.478 8.791 2.207 1.00 0.00 N ATOM 78 CA GLN A 9 -18.822 8.070 0.987 1.00 0.00 C ATOM 79 C GLN A 9 -18.067 8.637 -0.211 1.00 0.00 C ATOM 80 O GLN A 9 -17.297 7.931 -0.861 1.00 0.00 O ATOM 81 CB GLN A 9 -20.329 8.141 0.735 1.00 0.00 C ATOM 82 CG GLN A 9 -20.775 7.382 -0.504 1.00 0.00 C ATOM 83 CD GLN A 9 -22.237 6.984 -0.450 1.00 0.00 C ATOM 84 OE1 GLN A 9 -22.852 6.979 0.617 1.00 0.00 O ATOM 85 NE2 GLN A 9 -22.802 6.649 -1.604 1.00 0.00 N ATOM 0 HA GLN A 9 -18.531 7.027 1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.853 7.742 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.624 9.186 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.603 8.000 -1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.163 6.487 -0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.254 6.667 -2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.784 6.373 -1.630 1.00 0.00 H new ATOM 94 N GLN A 10 -18.295 9.915 -0.497 1.00 0.00 N ATOM 95 CA GLN A 10 -17.637 10.575 -1.619 1.00 0.00 C ATOM 96 C GLN A 10 -16.120 10.482 -1.491 1.00 0.00 C ATOM 97 O GLN A 10 -15.418 10.236 -2.472 1.00 0.00 O ATOM 98 CB GLN A 10 -18.065 12.041 -1.697 1.00 0.00 C ATOM 99 CG GLN A 10 -19.519 12.229 -2.101 1.00 0.00 C ATOM 100 CD GLN A 10 -20.475 11.455 -1.216 1.00 0.00 C ATOM 101 OE1 GLN A 10 -20.887 11.934 -0.159 1.00 0.00 O ATOM 102 NE2 GLN A 10 -20.834 10.250 -1.643 1.00 0.00 N ATOM 0 H GLN A 10 -18.929 10.513 0.032 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.938 10.067 -2.535 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.902 12.511 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.427 12.560 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.769 13.289 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.649 11.911 -3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.469 9.892 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.475 9.683 -1.089 1.00 0.00 H new ATOM 111 N ARG A 11 -15.620 10.681 -0.275 1.00 0.00 N ATOM 112 CA ARG A 11 -14.186 10.621 -0.020 1.00 0.00 C ATOM 113 C ARG A 11 -13.592 9.321 -0.553 1.00 0.00 C ATOM 114 O ARG A 11 -12.530 9.320 -1.175 1.00 0.00 O ATOM 115 CB ARG A 11 -13.908 10.744 1.480 1.00 0.00 C ATOM 116 CG ARG A 11 -12.456 10.495 1.852 1.00 0.00 C ATOM 117 CD ARG A 11 -12.290 10.310 3.353 1.00 0.00 C ATOM 118 NE ARG A 11 -12.194 11.588 4.054 1.00 0.00 N ATOM 119 CZ ARG A 11 -11.993 11.694 5.363 1.00 0.00 C ATOM 120 NH1 ARG A 11 -11.867 10.605 6.108 1.00 0.00 N ATOM 121 NH2 ARG A 11 -11.918 12.892 5.929 1.00 0.00 N ATOM 0 H ARG A 11 -16.187 10.885 0.548 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.715 11.455 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.194 11.742 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.539 10.036 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.093 9.608 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.845 11.333 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.136 9.744 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.394 9.721 3.549 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.286 12.445 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.924 9.683 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.713 10.689 7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.015 13.732 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.764 12.972 6.934 1.00 0.00 H new ATOM 135 N VAL A 12 -14.286 8.214 -0.304 1.00 0.00 N ATOM 136 CA VAL A 12 -13.828 6.907 -0.760 1.00 0.00 C ATOM 137 C VAL A 12 -13.643 6.886 -2.273 1.00 0.00 C ATOM 138 O VAL A 12 -12.627 6.408 -2.779 1.00 0.00 O ATOM 139 CB VAL A 12 -14.816 5.795 -0.359 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.361 4.452 -0.910 1.00 0.00 C ATOM 141 CG2 VAL A 12 -14.965 5.736 1.154 1.00 0.00 C ATOM 0 H VAL A 12 -15.167 8.197 0.211 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.868 6.722 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.790 6.026 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.071 3.679 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.309 4.504 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.376 4.210 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.666 4.945 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.996 5.529 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.340 6.692 1.520 1.00 0.00 H new ATOM 151 N LYS A 13 -14.631 7.407 -2.992 1.00 0.00 N ATOM 152 CA LYS A 13 -14.579 7.451 -4.448 1.00 0.00 C ATOM 153 C LYS A 13 -13.310 8.150 -4.926 1.00 0.00 C ATOM 154 O LYS A 13 -12.687 7.727 -5.900 1.00 0.00 O ATOM 155 CB LYS A 13 -15.810 8.171 -5.002 1.00 0.00 C ATOM 156 CG LYS A 13 -15.847 8.233 -6.519 1.00 0.00 C ATOM 157 CD LYS A 13 -16.519 7.006 -7.111 1.00 0.00 C ATOM 158 CE LYS A 13 -16.303 6.923 -8.615 1.00 0.00 C ATOM 159 NZ LYS A 13 -16.495 5.538 -9.127 1.00 0.00 N ATOM 0 H LYS A 13 -15.479 7.805 -2.589 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.569 6.425 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.707 7.665 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.837 9.186 -4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.381 9.129 -6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.831 8.315 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.124 6.108 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.587 7.036 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.996 7.596 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.296 7.263 -8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.339 5.523 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.816 4.900 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.464 5.222 -8.919 1.00 0.00 H new ATOM 173 N ARG A 14 -12.932 9.219 -4.233 1.00 0.00 N ATOM 174 CA ARG A 14 -11.738 9.976 -4.587 1.00 0.00 C ATOM 175 C ARG A 14 -10.542 9.047 -4.778 1.00 0.00 C ATOM 176 O ARG A 14 -9.708 9.265 -5.657 1.00 0.00 O ATOM 177 CB ARG A 14 -11.424 11.011 -3.506 1.00 0.00 C ATOM 178 CG ARG A 14 -10.745 12.263 -4.038 1.00 0.00 C ATOM 179 CD ARG A 14 -11.743 13.197 -4.704 1.00 0.00 C ATOM 180 NE ARG A 14 -11.106 14.412 -5.204 1.00 0.00 N ATOM 181 CZ ARG A 14 -11.760 15.377 -5.841 1.00 0.00 C ATOM 182 NH1 ARG A 14 -13.064 15.269 -6.055 1.00 0.00 N ATOM 183 NH2 ARG A 14 -11.110 16.453 -6.266 1.00 0.00 N ATOM 0 H ARG A 14 -13.436 9.580 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.932 10.491 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.351 11.295 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.783 10.553 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.247 12.784 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.973 11.983 -4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.231 12.678 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.522 13.464 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.103 14.526 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.567 14.443 -5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.564 16.011 -6.544 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.107 16.540 -6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.614 17.193 -6.755 1.00 0.00 H new ATOM 197 N TRP A 15 -10.466 8.012 -3.950 1.00 0.00 N ATOM 198 CA TRP A 15 -9.373 7.050 -4.028 1.00 0.00 C ATOM 199 C TRP A 15 -9.470 6.217 -5.301 1.00 0.00 C ATOM 200 O TRP A 15 -8.466 5.711 -5.801 1.00 0.00 O ATOM 201 CB TRP A 15 -9.384 6.134 -2.803 1.00 0.00 C ATOM 202 CG TRP A 15 -9.746 6.844 -1.533 1.00 0.00 C ATOM 203 CD1 TRP A 15 -9.402 8.118 -1.180 1.00 0.00 C ATOM 204 CD2 TRP A 15 -10.520 6.320 -0.449 1.00 0.00 C ATOM 205 NE1 TRP A 15 -9.915 8.417 0.059 1.00 0.00 N ATOM 206 CE2 TRP A 15 -10.606 7.332 0.528 1.00 0.00 C ATOM 207 CE3 TRP A 15 -11.150 5.097 -0.209 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -11.296 7.154 1.724 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -11.834 4.922 0.979 1.00 0.00 C ATOM 210 CH2 TRP A 15 -11.904 5.946 1.933 1.00 0.00 C ATOM 0 H TRP A 15 -11.148 7.817 -3.217 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.435 7.605 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -10.092 5.322 -2.972 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.400 5.680 -2.689 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.813 8.791 -1.786 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -9.800 9.304 0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -11.104 4.302 -0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -11.350 7.942 2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -12.323 3.979 1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -12.448 5.779 2.851 1.00 0.00 H new ATOM 221 N GLY A 16 -10.685 6.078 -5.822 1.00 0.00 N ATOM 222 CA GLY A 16 -10.890 5.305 -7.033 1.00 0.00 C ATOM 223 C GLY A 16 -10.370 6.014 -8.268 1.00 0.00 C ATOM 224 O GLY A 16 -10.647 5.600 -9.393 1.00 0.00 O ATOM 0 H GLY A 16 -11.532 6.487 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.391 4.341 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.954 5.102 -7.155 1.00 0.00 H new ATOM 228 N PHE A 17 -9.615 7.088 -8.058 1.00 0.00 N ATOM 229 CA PHE A 17 -9.058 7.858 -9.164 1.00 0.00 C ATOM 230 C PHE A 17 -7.574 7.550 -9.347 1.00 0.00 C ATOM 231 O PHE A 17 -7.077 7.484 -10.471 1.00 0.00 O ATOM 232 CB PHE A 17 -9.252 9.356 -8.919 1.00 0.00 C ATOM 233 CG PHE A 17 -10.649 9.832 -9.198 1.00 0.00 C ATOM 234 CD1 PHE A 17 -11.224 9.642 -10.444 1.00 0.00 C ATOM 235 CD2 PHE A 17 -11.387 10.470 -8.214 1.00 0.00 C ATOM 236 CE1 PHE A 17 -12.510 10.079 -10.704 1.00 0.00 C ATOM 237 CE2 PHE A 17 -12.673 10.908 -8.468 1.00 0.00 C ATOM 238 CZ PHE A 17 -13.235 10.714 -9.715 1.00 0.00 C ATOM 0 H PHE A 17 -9.375 7.444 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.586 7.574 -10.074 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.999 9.583 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.555 9.912 -9.546 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.661 9.147 -11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.953 10.627 -7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.947 9.924 -11.679 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.239 11.402 -7.692 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.239 11.058 -9.916 1.00 0.00 H new ATOM 248 N GLY A 18 -6.872 7.363 -8.234 1.00 0.00 N ATOM 249 CA GLY A 18 -5.453 7.065 -8.293 1.00 0.00 C ATOM 250 C GLY A 18 -4.802 7.074 -6.924 1.00 0.00 C ATOM 251 O GLY A 18 -5.177 7.861 -6.056 1.00 0.00 O ATOM 0 H GLY A 18 -7.261 7.413 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.309 6.088 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.958 7.796 -8.932 1.00 0.00 H new ATOM 255 N MET A 19 -3.823 6.195 -6.731 1.00 0.00 N ATOM 256 CA MET A 19 -3.119 6.105 -5.457 1.00 0.00 C ATOM 257 C MET A 19 -2.914 7.489 -4.850 1.00 0.00 C ATOM 258 O MET A 19 -3.149 7.695 -3.659 1.00 0.00 O ATOM 259 CB MET A 19 -1.767 5.413 -5.646 1.00 0.00 C ATOM 260 CG MET A 19 -1.090 5.036 -4.338 1.00 0.00 C ATOM 261 SD MET A 19 0.245 3.845 -4.565 1.00 0.00 S ATOM 262 CE MET A 19 1.449 4.848 -5.433 1.00 0.00 C ATOM 0 H MET A 19 -3.500 5.536 -7.440 1.00 0.00 H new ATOM 0 HA MET A 19 -3.730 5.515 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.909 4.513 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.107 6.071 -6.211 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.693 5.935 -3.866 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.832 4.619 -3.656 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.871 4.276 -6.259 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.964 5.743 -5.822 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.245 5.136 -4.747 1.00 0.00 H new ATOM 272 N ASP A 20 -2.475 8.433 -5.675 1.00 0.00 N ATOM 273 CA ASP A 20 -2.240 9.798 -5.218 1.00 0.00 C ATOM 274 C ASP A 20 -3.218 10.177 -4.111 1.00 0.00 C ATOM 275 O ASP A 20 -2.811 10.553 -3.012 1.00 0.00 O ATOM 276 CB ASP A 20 -2.367 10.778 -6.386 1.00 0.00 C ATOM 277 CG ASP A 20 -1.850 12.160 -6.040 1.00 0.00 C ATOM 278 OD1 ASP A 20 -0.908 12.255 -5.226 1.00 0.00 O ATOM 279 OD2 ASP A 20 -2.389 13.148 -6.582 1.00 0.00 O ATOM 0 H ASP A 20 -2.275 8.278 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.228 9.852 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.816 10.391 -7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.413 10.849 -6.685 1.00 0.00 H new ATOM 284 N GLU A 21 -4.510 10.076 -4.409 1.00 0.00 N ATOM 285 CA GLU A 21 -5.546 10.411 -3.438 1.00 0.00 C ATOM 286 C GLU A 21 -5.496 9.464 -2.242 1.00 0.00 C ATOM 287 O GLU A 21 -5.232 9.884 -1.116 1.00 0.00 O ATOM 288 CB GLU A 21 -6.927 10.351 -4.093 1.00 0.00 C ATOM 289 CG GLU A 21 -7.073 11.273 -5.292 1.00 0.00 C ATOM 290 CD GLU A 21 -7.368 12.706 -4.892 1.00 0.00 C ATOM 291 OE1 GLU A 21 -8.180 12.908 -3.965 1.00 0.00 O ATOM 292 OE2 GLU A 21 -6.786 13.625 -5.506 1.00 0.00 O ATOM 0 H GLU A 21 -4.864 9.765 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.364 11.426 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.127 9.326 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.683 10.610 -3.352 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.156 11.245 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.875 10.906 -5.933 1.00 0.00 H new ATOM 299 N ALA A 22 -5.753 8.185 -2.496 1.00 0.00 N ATOM 300 CA ALA A 22 -5.736 7.179 -1.441 1.00 0.00 C ATOM 301 C ALA A 22 -4.668 7.493 -0.399 1.00 0.00 C ATOM 302 O ALA A 22 -4.828 7.183 0.782 1.00 0.00 O ATOM 303 CB ALA A 22 -5.507 5.797 -2.034 1.00 0.00 C ATOM 0 H ALA A 22 -5.975 7.821 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.706 7.193 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.497 5.055 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.309 5.564 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.551 5.780 -2.558 1.00 0.00 H new ATOM 309 N LEU A 23 -3.578 8.110 -0.843 1.00 0.00 N ATOM 310 CA LEU A 23 -2.482 8.466 0.051 1.00 0.00 C ATOM 311 C LEU A 23 -2.835 9.696 0.881 1.00 0.00 C ATOM 312 O LEU A 23 -2.779 9.666 2.111 1.00 0.00 O ATOM 313 CB LEU A 23 -1.207 8.726 -0.752 1.00 0.00 C ATOM 314 CG LEU A 23 -0.726 7.578 -1.640 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.346 8.062 -2.604 1.00 0.00 C ATOM 316 CD2 LEU A 23 -0.203 6.430 -0.790 1.00 0.00 C ATOM 0 H LEU A 23 -3.430 8.374 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.312 7.630 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.370 9.601 -1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.408 8.979 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.573 7.215 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.676 7.231 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.062 8.851 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.194 8.451 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.135 5.622 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.631 6.779 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.999 6.066 -0.141 1.00 0.00 H new ATOM 328 N LYS A 24 -3.199 10.778 0.201 1.00 0.00 N ATOM 329 CA LYS A 24 -3.565 12.018 0.874 1.00 0.00 C ATOM 330 C LYS A 24 -4.550 11.752 2.008 1.00 0.00 C ATOM 331 O LYS A 24 -4.479 12.379 3.065 1.00 0.00 O ATOM 332 CB LYS A 24 -4.174 13.004 -0.125 1.00 0.00 C ATOM 333 CG LYS A 24 -5.673 12.839 -0.305 1.00 0.00 C ATOM 334 CD LYS A 24 -6.137 13.383 -1.645 1.00 0.00 C ATOM 335 CE LYS A 24 -6.519 14.852 -1.549 1.00 0.00 C ATOM 336 NZ LYS A 24 -7.864 15.037 -0.938 1.00 0.00 N ATOM 0 H LYS A 24 -3.248 10.821 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.660 12.453 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.966 14.021 0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.685 12.879 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.935 11.784 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.196 13.356 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.344 13.260 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.992 12.806 -1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.775 15.383 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.508 15.296 -2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.087 16.052 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.578 14.552 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.867 14.637 0.022 1.00 0.00 H new ATOM 350 N ASP A 25 -5.468 10.819 1.781 1.00 0.00 N ATOM 351 CA ASP A 25 -6.466 10.468 2.785 1.00 0.00 C ATOM 352 C ASP A 25 -5.902 9.461 3.783 1.00 0.00 C ATOM 353 O ASP A 25 -5.117 8.579 3.436 1.00 0.00 O ATOM 354 CB ASP A 25 -7.715 9.895 2.114 1.00 0.00 C ATOM 355 CG ASP A 25 -8.333 10.859 1.121 1.00 0.00 C ATOM 356 OD1 ASP A 25 -9.051 11.782 1.559 1.00 0.00 O ATOM 357 OD2 ASP A 25 -8.099 10.691 -0.095 1.00 0.00 O ATOM 0 H ASP A 25 -5.542 10.292 0.911 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.737 11.375 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.456 8.968 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.451 9.643 2.878 1.00 0.00 H new ATOM 362 N PRO A 26 -6.311 9.596 5.054 1.00 0.00 N ATOM 363 CA PRO A 26 -5.859 8.707 6.129 1.00 0.00 C ATOM 364 C PRO A 26 -6.425 7.298 5.992 1.00 0.00 C ATOM 365 O PRO A 26 -5.687 6.314 6.042 1.00 0.00 O ATOM 366 CB PRO A 26 -6.397 9.380 7.394 1.00 0.00 C ATOM 367 CG PRO A 26 -7.574 10.168 6.933 1.00 0.00 C ATOM 368 CD PRO A 26 -7.246 10.625 5.539 1.00 0.00 C ATOM 0 HA PRO A 26 -4.777 8.579 6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.684 8.642 8.143 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.645 10.023 7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.478 9.560 6.942 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.756 11.019 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.138 10.684 4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.790 11.615 5.537 1.00 0.00 H new ATOM 376 N VAL A 27 -7.740 7.207 5.820 1.00 0.00 N ATOM 377 CA VAL A 27 -8.405 5.918 5.675 1.00 0.00 C ATOM 378 C VAL A 27 -7.957 5.209 4.402 1.00 0.00 C ATOM 379 O VAL A 27 -7.533 4.054 4.438 1.00 0.00 O ATOM 380 CB VAL A 27 -9.937 6.076 5.649 1.00 0.00 C ATOM 381 CG1 VAL A 27 -10.610 4.727 5.452 1.00 0.00 C ATOM 382 CG2 VAL A 27 -10.425 6.743 6.926 1.00 0.00 C ATOM 0 H VAL A 27 -8.366 8.011 5.778 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.124 5.318 6.540 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.205 6.715 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.692 4.859 5.436 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.284 4.292 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.338 4.061 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.509 6.847 6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.147 6.132 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.969 7.729 7.019 1.00 0.00 H new ATOM 392 N GLY A 28 -8.053 5.909 3.275 1.00 0.00 N ATOM 393 CA GLY A 28 -7.653 5.330 2.006 1.00 0.00 C ATOM 394 C GLY A 28 -6.292 4.668 2.074 1.00 0.00 C ATOM 395 O GLY A 28 -6.032 3.694 1.367 1.00 0.00 O ATOM 0 H GLY A 28 -8.401 6.866 3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.396 4.595 1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.637 6.109 1.244 1.00 0.00 H new ATOM 399 N ARG A 29 -5.419 5.198 2.925 1.00 0.00 N ATOM 400 CA ARG A 29 -4.076 4.654 3.080 1.00 0.00 C ATOM 401 C ARG A 29 -4.124 3.243 3.659 1.00 0.00 C ATOM 402 O ARG A 29 -3.500 2.324 3.131 1.00 0.00 O ATOM 403 CB ARG A 29 -3.237 5.559 3.983 1.00 0.00 C ATOM 404 CG ARG A 29 -2.421 6.592 3.223 1.00 0.00 C ATOM 405 CD ARG A 29 -1.497 7.366 4.150 1.00 0.00 C ATOM 406 NE ARG A 29 -2.194 8.452 4.834 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.609 9.589 5.194 1.00 0.00 C ATOM 408 NH1 ARG A 29 -0.323 9.787 4.936 1.00 0.00 N ATOM 409 NH2 ARG A 29 -2.310 10.530 5.813 1.00 0.00 N ATOM 0 H ARG A 29 -5.618 6.004 3.518 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.614 4.608 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.897 6.073 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.563 4.941 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.832 6.096 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.092 7.285 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.071 6.686 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.665 7.774 3.575 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.184 8.331 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.219 9.065 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.124 10.661 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.299 10.381 6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.860 11.403 6.089 1.00 0.00 H new ATOM 423 N GLU A 30 -4.869 3.081 4.749 1.00 0.00 N ATOM 424 CA GLU A 30 -4.996 1.783 5.400 1.00 0.00 C ATOM 425 C GLU A 30 -5.862 0.840 4.569 1.00 0.00 C ATOM 426 O GLU A 30 -5.524 -0.328 4.384 1.00 0.00 O ATOM 427 CB GLU A 30 -5.597 1.945 6.798 1.00 0.00 C ATOM 428 CG GLU A 30 -7.116 1.911 6.816 1.00 0.00 C ATOM 429 CD GLU A 30 -7.689 2.168 8.196 1.00 0.00 C ATOM 430 OE1 GLU A 30 -7.014 1.831 9.191 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.813 2.705 8.280 1.00 0.00 O ATOM 0 H GLU A 30 -5.393 3.832 5.199 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.999 1.351 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.217 1.152 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.258 2.890 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.501 2.658 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.458 0.939 6.460 1.00 0.00 H new ATOM 438 N GLN A 31 -6.981 1.358 4.072 1.00 0.00 N ATOM 439 CA GLN A 31 -7.896 0.563 3.262 1.00 0.00 C ATOM 440 C GLN A 31 -7.171 -0.061 2.074 1.00 0.00 C ATOM 441 O GLN A 31 -7.163 -1.281 1.910 1.00 0.00 O ATOM 442 CB GLN A 31 -9.057 1.428 2.769 1.00 0.00 C ATOM 443 CG GLN A 31 -10.185 1.567 3.779 1.00 0.00 C ATOM 444 CD GLN A 31 -10.936 0.269 3.997 1.00 0.00 C ATOM 445 OE1 GLN A 31 -11.604 -0.236 3.093 1.00 0.00 O ATOM 446 NE2 GLN A 31 -10.832 -0.281 5.202 1.00 0.00 N ATOM 0 H GLN A 31 -7.275 2.324 4.216 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.289 -0.240 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.680 2.420 2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.455 0.998 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.776 1.910 4.730 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.882 2.332 3.437 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.268 0.171 5.922 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.316 -1.155 5.407 1.00 0.00 H new ATOM 455 N PHE A 32 -6.562 0.784 1.249 1.00 0.00 N ATOM 456 CA PHE A 32 -5.835 0.316 0.075 1.00 0.00 C ATOM 457 C PHE A 32 -4.822 -0.760 0.456 1.00 0.00 C ATOM 458 O PHE A 32 -4.602 -1.715 -0.291 1.00 0.00 O ATOM 459 CB PHE A 32 -5.122 1.484 -0.609 1.00 0.00 C ATOM 460 CG PHE A 32 -4.103 1.052 -1.625 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.495 0.407 -2.787 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.754 1.293 -1.419 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.560 0.008 -3.723 1.00 0.00 C ATOM 464 CE2 PHE A 32 -1.815 0.897 -2.352 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.218 0.254 -3.506 1.00 0.00 C ATOM 0 H PHE A 32 -6.558 1.797 1.372 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.556 -0.117 -0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.864 2.117 -1.096 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.631 2.094 0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.543 0.214 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.433 1.796 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.878 -0.496 -4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.767 1.090 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.486 -0.056 -4.237 1.00 0.00 H new ATOM 475 N LEU A 33 -4.208 -0.599 1.623 1.00 0.00 N ATOM 476 CA LEU A 33 -3.218 -1.556 2.105 1.00 0.00 C ATOM 477 C LEU A 33 -3.863 -2.906 2.400 1.00 0.00 C ATOM 478 O LEU A 33 -3.420 -3.941 1.901 1.00 0.00 O ATOM 479 CB LEU A 33 -2.532 -1.020 3.363 1.00 0.00 C ATOM 480 CG LEU A 33 -1.879 -2.065 4.268 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.431 -2.293 3.862 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.965 -1.637 5.726 1.00 0.00 C ATOM 0 H LEU A 33 -4.378 0.185 2.253 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.472 -1.694 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.769 -0.304 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.269 -0.471 3.949 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.419 -3.005 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.017 -3.040 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.393 -2.645 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.122 -1.358 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.495 -2.393 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.450 -0.685 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.011 -1.526 6.012 1.00 0.00 H new ATOM 494 N LYS A 34 -4.915 -2.888 3.212 1.00 0.00 N ATOM 495 CA LYS A 34 -5.625 -4.110 3.571 1.00 0.00 C ATOM 496 C LYS A 34 -5.642 -5.093 2.405 1.00 0.00 C ATOM 497 O LYS A 34 -5.152 -6.217 2.520 1.00 0.00 O ATOM 498 CB LYS A 34 -7.058 -3.784 3.998 1.00 0.00 C ATOM 499 CG LYS A 34 -7.140 -2.839 5.183 1.00 0.00 C ATOM 500 CD LYS A 34 -8.391 -3.086 6.009 1.00 0.00 C ATOM 501 CE LYS A 34 -8.643 -1.954 6.993 1.00 0.00 C ATOM 502 NZ LYS A 34 -9.737 -2.283 7.949 1.00 0.00 N ATOM 0 H LYS A 34 -5.295 -2.040 3.634 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.100 -4.574 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.588 -3.342 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.574 -4.711 4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.258 -2.964 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.135 -1.808 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.250 -3.192 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.290 -4.026 6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.728 -1.744 7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.900 -1.047 6.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.878 -1.487 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.617 -2.459 7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.481 -3.134 8.490 1.00 0.00 H new ATOM 516 N PHE A 35 -6.207 -4.662 1.282 1.00 0.00 N ATOM 517 CA PHE A 35 -6.287 -5.504 0.094 1.00 0.00 C ATOM 518 C PHE A 35 -4.903 -6.003 -0.313 1.00 0.00 C ATOM 519 O PHE A 35 -4.689 -7.204 -0.486 1.00 0.00 O ATOM 520 CB PHE A 35 -6.923 -4.732 -1.063 1.00 0.00 C ATOM 521 CG PHE A 35 -6.832 -5.445 -2.382 1.00 0.00 C ATOM 522 CD1 PHE A 35 -7.591 -6.578 -2.627 1.00 0.00 C ATOM 523 CD2 PHE A 35 -5.986 -4.982 -3.377 1.00 0.00 C ATOM 524 CE1 PHE A 35 -7.510 -7.236 -3.839 1.00 0.00 C ATOM 525 CE2 PHE A 35 -5.900 -5.636 -4.592 1.00 0.00 C ATOM 526 CZ PHE A 35 -6.662 -6.765 -4.823 1.00 0.00 C ATOM 0 H PHE A 35 -6.616 -3.734 1.170 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.910 -6.366 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.972 -4.545 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.438 -3.760 -1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -8.254 -6.951 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.387 -4.101 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.109 -8.117 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.238 -5.265 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.595 -7.278 -5.771 1.00 0.00 H new ATOM 536 N LEU A 36 -3.967 -5.073 -0.465 1.00 0.00 N ATOM 537 CA LEU A 36 -2.603 -5.416 -0.852 1.00 0.00 C ATOM 538 C LEU A 36 -2.128 -6.668 -0.120 1.00 0.00 C ATOM 539 O LEU A 36 -1.660 -7.621 -0.742 1.00 0.00 O ATOM 540 CB LEU A 36 -1.659 -4.250 -0.556 1.00 0.00 C ATOM 541 CG LEU A 36 -1.378 -3.301 -1.722 1.00 0.00 C ATOM 542 CD1 LEU A 36 -2.675 -2.899 -2.407 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.625 -2.070 -1.239 1.00 0.00 C ATOM 0 H LEU A 36 -4.127 -4.075 -0.326 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.596 -5.618 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.078 -3.669 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.710 -4.657 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.754 -3.823 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.456 -2.224 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.176 -3.789 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.324 -2.396 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.434 -1.406 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.224 -1.546 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.323 -2.374 -0.795 1.00 0.00 H new ATOM 555 N GLU A 37 -2.254 -6.657 1.203 1.00 0.00 N ATOM 556 CA GLU A 37 -1.838 -7.792 2.019 1.00 0.00 C ATOM 557 C GLU A 37 -2.318 -9.106 1.407 1.00 0.00 C ATOM 558 O GLU A 37 -1.607 -10.110 1.430 1.00 0.00 O ATOM 559 CB GLU A 37 -2.380 -7.652 3.443 1.00 0.00 C ATOM 560 CG GLU A 37 -1.979 -6.352 4.121 1.00 0.00 C ATOM 561 CD GLU A 37 -2.174 -6.394 5.624 1.00 0.00 C ATOM 562 OE1 GLU A 37 -3.290 -6.739 6.067 1.00 0.00 O ATOM 563 OE2 GLU A 37 -1.213 -6.082 6.356 1.00 0.00 O ATOM 0 H GLU A 37 -2.640 -5.876 1.732 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.749 -7.802 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.468 -7.718 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.024 -8.490 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.933 -6.139 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.566 -5.533 3.705 1.00 0.00 H new ATOM 570 N SER A 38 -3.531 -9.090 0.863 1.00 0.00 N ATOM 571 CA SER A 38 -4.109 -10.280 0.249 1.00 0.00 C ATOM 572 C SER A 38 -3.336 -10.674 -1.006 1.00 0.00 C ATOM 573 O SER A 38 -2.913 -11.819 -1.152 1.00 0.00 O ATOM 574 CB SER A 38 -5.579 -10.038 -0.097 1.00 0.00 C ATOM 575 OG SER A 38 -6.387 -10.053 1.067 1.00 0.00 O ATOM 0 H SER A 38 -4.132 -8.267 0.835 1.00 0.00 H new ATOM 0 HA SER A 38 -4.043 -11.098 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.683 -9.078 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.923 -10.804 -0.792 1.00 0.00 H new ATOM 0 HG SER A 38 -7.322 -9.894 0.819 1.00 0.00 H new ATOM 581 N GLU A 39 -3.158 -9.714 -1.909 1.00 0.00 N ATOM 582 CA GLU A 39 -2.438 -9.961 -3.152 1.00 0.00 C ATOM 583 C GLU A 39 -0.930 -9.956 -2.918 1.00 0.00 C ATOM 584 O GLU A 39 -0.144 -9.857 -3.860 1.00 0.00 O ATOM 585 CB GLU A 39 -2.805 -8.906 -4.198 1.00 0.00 C ATOM 586 CG GLU A 39 -2.187 -7.544 -3.932 1.00 0.00 C ATOM 587 CD GLU A 39 -1.970 -6.744 -5.202 1.00 0.00 C ATOM 588 OE1 GLU A 39 -0.910 -6.920 -5.839 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.858 -5.942 -5.558 1.00 0.00 O ATOM 0 H GLU A 39 -3.502 -8.760 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.728 -10.945 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.486 -9.254 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.890 -8.803 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.833 -6.981 -3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.233 -7.675 -3.422 1.00 0.00 H new ATOM 596 N PHE A 40 -0.533 -10.064 -1.654 1.00 0.00 N ATOM 597 CA PHE A 40 0.880 -10.070 -1.294 1.00 0.00 C ATOM 598 C PHE A 40 1.603 -8.874 -1.905 1.00 0.00 C ATOM 599 O PHE A 40 2.697 -9.009 -2.452 1.00 0.00 O ATOM 600 CB PHE A 40 1.540 -11.371 -1.758 1.00 0.00 C ATOM 601 CG PHE A 40 0.924 -12.603 -1.159 1.00 0.00 C ATOM 602 CD1 PHE A 40 -0.331 -13.031 -1.562 1.00 0.00 C ATOM 603 CD2 PHE A 40 1.599 -13.332 -0.195 1.00 0.00 C ATOM 604 CE1 PHE A 40 -0.901 -14.164 -1.012 1.00 0.00 C ATOM 605 CE2 PHE A 40 1.035 -14.466 0.359 1.00 0.00 C ATOM 606 CZ PHE A 40 -0.216 -14.883 -0.051 1.00 0.00 C ATOM 0 H PHE A 40 -1.170 -10.149 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 40 0.953 -10.000 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.476 -11.434 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.599 -11.343 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.870 -12.473 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.578 -13.011 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.880 -14.487 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.572 -15.025 1.111 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.658 -15.770 0.379 1.00 0.00 H new ATOM 616 N SER A 41 0.982 -7.702 -1.808 1.00 0.00 N ATOM 617 CA SER A 41 1.563 -6.482 -2.355 1.00 0.00 C ATOM 618 C SER A 41 1.871 -5.482 -1.244 1.00 0.00 C ATOM 619 O SER A 41 2.634 -4.536 -1.439 1.00 0.00 O ATOM 620 CB SER A 41 0.612 -5.851 -3.374 1.00 0.00 C ATOM 621 OG SER A 41 1.123 -4.620 -3.854 1.00 0.00 O ATOM 0 H SER A 41 0.077 -7.572 -1.356 1.00 0.00 H new ATOM 0 HA SER A 41 2.496 -6.745 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.461 -6.536 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.363 -5.689 -2.915 1.00 0.00 H new ATOM 0 HG SER A 41 0.419 -4.139 -4.337 1.00 0.00 H new ATOM 627 N SER A 42 1.270 -5.699 -0.078 1.00 0.00 N ATOM 628 CA SER A 42 1.477 -4.816 1.064 1.00 0.00 C ATOM 629 C SER A 42 2.910 -4.295 1.096 1.00 0.00 C ATOM 630 O SER A 42 3.153 -3.137 1.436 1.00 0.00 O ATOM 631 CB SER A 42 1.160 -5.551 2.368 1.00 0.00 C ATOM 632 OG SER A 42 2.147 -6.526 2.656 1.00 0.00 O ATOM 0 H SER A 42 0.636 -6.478 0.100 1.00 0.00 H new ATOM 0 HA SER A 42 0.803 -3.966 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.101 -4.835 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.183 -6.029 2.292 1.00 0.00 H new ATOM 0 HG SER A 42 1.923 -6.981 3.495 1.00 0.00 H new ATOM 638 N GLU A 43 3.855 -5.158 0.738 1.00 0.00 N ATOM 639 CA GLU A 43 5.265 -4.786 0.727 1.00 0.00 C ATOM 640 C GLU A 43 5.493 -3.546 -0.133 1.00 0.00 C ATOM 641 O GLU A 43 6.015 -2.537 0.340 1.00 0.00 O ATOM 642 CB GLU A 43 6.118 -5.945 0.206 1.00 0.00 C ATOM 643 CG GLU A 43 5.782 -7.282 0.845 1.00 0.00 C ATOM 644 CD GLU A 43 6.573 -8.429 0.247 1.00 0.00 C ATOM 645 OE1 GLU A 43 6.600 -8.546 -0.997 1.00 0.00 O ATOM 646 OE2 GLU A 43 7.165 -9.210 1.021 1.00 0.00 O ATOM 0 H GLU A 43 3.670 -6.119 0.452 1.00 0.00 H new ATOM 0 HA GLU A 43 5.562 -4.558 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.988 -6.025 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.170 -5.720 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.979 -7.229 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.717 -7.480 0.727 1.00 0.00 H new ATOM 653 N ASN A 44 5.099 -3.631 -1.400 1.00 0.00 N ATOM 654 CA ASN A 44 5.261 -2.517 -2.327 1.00 0.00 C ATOM 655 C ASN A 44 5.030 -1.184 -1.621 1.00 0.00 C ATOM 656 O ASN A 44 5.929 -0.345 -1.547 1.00 0.00 O ATOM 657 CB ASN A 44 4.291 -2.659 -3.502 1.00 0.00 C ATOM 658 CG ASN A 44 4.493 -3.953 -4.265 1.00 0.00 C ATOM 659 OD1 ASN A 44 5.269 -4.816 -3.852 1.00 0.00 O ATOM 660 ND2 ASN A 44 3.794 -4.095 -5.385 1.00 0.00 N ATOM 0 H ASN A 44 4.666 -4.459 -1.808 1.00 0.00 H new ATOM 0 HA ASN A 44 6.284 -2.536 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.267 -2.615 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.421 -1.816 -4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.888 -4.945 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.163 -3.354 -5.689 1.00 0.00 H new ATOM 667 N LEU A 45 3.821 -0.996 -1.104 1.00 0.00 N ATOM 668 CA LEU A 45 3.472 0.235 -0.403 1.00 0.00 C ATOM 669 C LEU A 45 4.292 0.386 0.874 1.00 0.00 C ATOM 670 O LEU A 45 4.936 1.412 1.093 1.00 0.00 O ATOM 671 CB LEU A 45 1.979 0.249 -0.068 1.00 0.00 C ATOM 672 CG LEU A 45 1.461 1.502 0.638 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.537 2.706 -0.288 1.00 0.00 C ATOM 674 CD2 LEU A 45 0.035 1.289 1.124 1.00 0.00 C ATOM 0 H LEU A 45 3.066 -1.680 -1.157 1.00 0.00 H new ATOM 0 HA LEU A 45 3.699 1.075 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.418 0.120 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.760 -0.614 0.560 1.00 0.00 H new ATOM 0 HG LEU A 45 2.093 1.696 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.164 3.589 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.572 2.871 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.929 2.523 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.318 2.191 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.610 1.070 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.010 0.453 1.823 1.00 0.00 H new ATOM 686 N ARG A 46 4.266 -0.644 1.714 1.00 0.00 N ATOM 687 CA ARG A 46 5.008 -0.627 2.969 1.00 0.00 C ATOM 688 C ARG A 46 6.384 0.003 2.777 1.00 0.00 C ATOM 689 O ARG A 46 6.835 0.799 3.602 1.00 0.00 O ATOM 690 CB ARG A 46 5.157 -2.047 3.518 1.00 0.00 C ATOM 691 CG ARG A 46 3.969 -2.506 4.348 1.00 0.00 C ATOM 692 CD ARG A 46 4.281 -3.787 5.105 1.00 0.00 C ATOM 693 NE ARG A 46 4.926 -3.521 6.389 1.00 0.00 N ATOM 694 CZ ARG A 46 5.192 -4.464 7.286 1.00 0.00 C ATOM 695 NH1 ARG A 46 4.872 -5.727 7.041 1.00 0.00 N ATOM 696 NH2 ARG A 46 5.781 -4.143 8.432 1.00 0.00 N ATOM 0 H ARG A 46 3.739 -1.501 1.548 1.00 0.00 H new ATOM 0 HA ARG A 46 4.448 -0.026 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.296 -2.737 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.058 -2.099 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.693 -1.723 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.109 -2.667 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.359 -4.344 5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.929 -4.418 4.497 1.00 0.00 H new ATOM 0 HE ARG A 46 5.186 -2.559 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.420 -5.977 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.078 -6.449 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.029 -3.172 8.624 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.985 -4.867 9.121 1.00 0.00 H new ATOM 710 N PHE A 47 7.048 -0.359 1.685 1.00 0.00 N ATOM 711 CA PHE A 47 8.374 0.169 1.386 1.00 0.00 C ATOM 712 C PHE A 47 8.299 1.645 1.003 1.00 0.00 C ATOM 713 O PHE A 47 9.126 2.450 1.429 1.00 0.00 O ATOM 714 CB PHE A 47 9.021 -0.630 0.253 1.00 0.00 C ATOM 715 CG PHE A 47 10.215 0.049 -0.355 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.320 0.362 0.422 1.00 0.00 C ATOM 717 CD2 PHE A 47 10.234 0.375 -1.701 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.419 0.988 -0.135 1.00 0.00 C ATOM 719 CE2 PHE A 47 11.331 1.000 -2.263 1.00 0.00 C ATOM 720 CZ PHE A 47 12.425 1.306 -1.479 1.00 0.00 C ATOM 0 H PHE A 47 6.690 -1.016 0.992 1.00 0.00 H new ATOM 0 HA PHE A 47 8.985 0.075 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.323 -1.606 0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.279 -0.807 -0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.322 0.114 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.381 0.138 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.273 1.229 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.332 1.249 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.284 1.793 -1.916 1.00 0.00 H new ATOM 730 N TRP A 48 7.301 1.990 0.198 1.00 0.00 N ATOM 731 CA TRP A 48 7.117 3.368 -0.243 1.00 0.00 C ATOM 732 C TRP A 48 6.877 4.293 0.946 1.00 0.00 C ATOM 733 O TRP A 48 7.576 5.292 1.119 1.00 0.00 O ATOM 734 CB TRP A 48 5.945 3.460 -1.221 1.00 0.00 C ATOM 735 CG TRP A 48 5.888 4.764 -1.959 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.682 5.151 -3.001 1.00 0.00 C ATOM 737 CD2 TRP A 48 4.990 5.851 -1.710 1.00 0.00 C ATOM 738 NE1 TRP A 48 6.332 6.414 -3.414 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.296 6.865 -2.639 1.00 0.00 C ATOM 740 CE3 TRP A 48 3.957 6.066 -0.794 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.606 8.074 -2.675 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.273 7.267 -0.831 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.599 8.258 -1.767 1.00 0.00 C ATOM 0 H TRP A 48 6.607 1.335 -0.163 1.00 0.00 H new ATOM 0 HA TRP A 48 8.029 3.686 -0.749 1.00 0.00 H new ATOM 0 HB2 TRP A 48 6.018 2.646 -1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.013 3.319 -0.674 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.469 4.553 -3.436 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.772 6.932 -4.174 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.698 5.308 -0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.857 8.840 -3.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.474 7.445 -0.127 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.045 9.185 -1.772 1.00 0.00 H new ATOM 754 N LEU A 49 5.886 3.954 1.762 1.00 0.00 N ATOM 755 CA LEU A 49 5.554 4.754 2.936 1.00 0.00 C ATOM 756 C LEU A 49 6.780 4.958 3.820 1.00 0.00 C ATOM 757 O LEU A 49 7.097 6.081 4.209 1.00 0.00 O ATOM 758 CB LEU A 49 4.439 4.081 3.738 1.00 0.00 C ATOM 759 CG LEU A 49 3.102 3.908 3.015 1.00 0.00 C ATOM 760 CD1 LEU A 49 2.141 3.086 3.859 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.497 5.264 2.681 1.00 0.00 C ATOM 0 H LEU A 49 5.298 3.131 1.633 1.00 0.00 H new ATOM 0 HA LEU A 49 5.209 5.730 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.788 3.098 4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.267 4.664 4.643 1.00 0.00 H new ATOM 0 HG LEU A 49 3.282 3.373 2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.196 2.974 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.571 2.102 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.966 3.592 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.546 5.122 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.332 5.825 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.179 5.818 2.036 1.00 0.00 H new ATOM 773 N ALA A 50 7.466 3.864 4.132 1.00 0.00 N ATOM 774 CA ALA A 50 8.660 3.923 4.967 1.00 0.00 C ATOM 775 C ALA A 50 9.610 5.017 4.490 1.00 0.00 C ATOM 776 O ALA A 50 10.150 5.777 5.293 1.00 0.00 O ATOM 777 CB ALA A 50 9.366 2.575 4.974 1.00 0.00 C ATOM 0 H ALA A 50 7.216 2.926 3.819 1.00 0.00 H new ATOM 0 HA ALA A 50 8.351 4.164 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.256 2.633 5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.693 1.814 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.656 2.311 3.957 1.00 0.00 H new ATOM 783 N VAL A 51 9.809 5.090 3.178 1.00 0.00 N ATOM 784 CA VAL A 51 10.693 6.092 2.594 1.00 0.00 C ATOM 785 C VAL A 51 10.175 7.501 2.854 1.00 0.00 C ATOM 786 O VAL A 51 10.920 8.376 3.295 1.00 0.00 O ATOM 787 CB VAL A 51 10.849 5.886 1.076 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.723 6.977 0.476 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.425 4.509 0.781 1.00 0.00 C ATOM 0 H VAL A 51 9.370 4.468 2.499 1.00 0.00 H new ATOM 0 HA VAL A 51 11.666 5.972 3.071 1.00 0.00 H new ATOM 0 HB VAL A 51 9.863 5.949 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.822 6.815 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.265 7.950 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.709 6.949 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.528 4.381 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.403 4.415 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.757 3.743 1.175 1.00 0.00 H new ATOM 799 N GLU A 52 8.892 7.714 2.578 1.00 0.00 N ATOM 800 CA GLU A 52 8.274 9.019 2.783 1.00 0.00 C ATOM 801 C GLU A 52 8.532 9.528 4.198 1.00 0.00 C ATOM 802 O GLU A 52 8.821 10.708 4.402 1.00 0.00 O ATOM 803 CB GLU A 52 6.767 8.941 2.525 1.00 0.00 C ATOM 804 CG GLU A 52 6.394 9.064 1.057 1.00 0.00 C ATOM 805 CD GLU A 52 6.722 10.429 0.484 1.00 0.00 C ATOM 806 OE1 GLU A 52 5.960 11.382 0.748 1.00 0.00 O ATOM 807 OE2 GLU A 52 7.741 10.543 -0.229 1.00 0.00 O ATOM 0 H GLU A 52 8.261 7.001 2.212 1.00 0.00 H new ATOM 0 HA GLU A 52 8.721 9.718 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.390 7.993 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.269 9.733 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.921 8.299 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.328 8.872 0.940 1.00 0.00 H new ATOM 814 N ASP A 53 8.427 8.631 5.171 1.00 0.00 N ATOM 815 CA ASP A 53 8.649 8.988 6.568 1.00 0.00 C ATOM 816 C ASP A 53 10.141 9.098 6.869 1.00 0.00 C ATOM 817 O ASP A 53 10.577 10.007 7.577 1.00 0.00 O ATOM 818 CB ASP A 53 8.005 7.952 7.490 1.00 0.00 C ATOM 819 CG ASP A 53 6.491 8.031 7.482 1.00 0.00 C ATOM 820 OD1 ASP A 53 5.956 9.126 7.210 1.00 0.00 O ATOM 821 OD2 ASP A 53 5.842 6.997 7.745 1.00 0.00 O ATOM 0 H ASP A 53 8.190 7.651 5.019 1.00 0.00 H new ATOM 0 HA ASP A 53 8.187 9.959 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.315 6.953 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.368 8.099 8.507 1.00 0.00 H new ATOM 826 N LEU A 54 10.919 8.167 6.329 1.00 0.00 N ATOM 827 CA LEU A 54 12.362 8.158 6.540 1.00 0.00 C ATOM 828 C LEU A 54 12.910 9.580 6.614 1.00 0.00 C ATOM 829 O LEU A 54 13.452 9.995 7.639 1.00 0.00 O ATOM 830 CB LEU A 54 13.058 7.389 5.416 1.00 0.00 C ATOM 831 CG LEU A 54 14.586 7.443 5.411 1.00 0.00 C ATOM 832 CD1 LEU A 54 15.147 6.770 6.654 1.00 0.00 C ATOM 833 CD2 LEU A 54 15.139 6.789 4.153 1.00 0.00 C ATOM 0 H LEU A 54 10.574 7.408 5.741 1.00 0.00 H new ATOM 0 HA LEU A 54 12.562 7.661 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.752 6.345 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.698 7.774 4.462 1.00 0.00 H new ATOM 0 HG LEU A 54 14.894 8.489 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.236 6.818 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.778 7.282 7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.830 5.727 6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.228 6.837 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.822 5.747 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.764 7.314 3.275 1.00 0.00 H new ATOM 845 N LYS A 55 12.763 10.322 5.522 1.00 0.00 N ATOM 846 CA LYS A 55 13.240 11.699 5.463 1.00 0.00 C ATOM 847 C LYS A 55 12.698 12.513 6.633 1.00 0.00 C ATOM 848 O LYS A 55 13.430 13.275 7.266 1.00 0.00 O ATOM 849 CB LYS A 55 12.824 12.348 4.141 1.00 0.00 C ATOM 850 CG LYS A 55 11.326 12.314 3.891 1.00 0.00 C ATOM 851 CD LYS A 55 11.002 12.506 2.419 1.00 0.00 C ATOM 852 CE LYS A 55 10.919 11.174 1.689 1.00 0.00 C ATOM 853 NZ LYS A 55 12.234 10.772 1.117 1.00 0.00 N ATOM 0 H LYS A 55 12.317 9.993 4.665 1.00 0.00 H new ATOM 0 HA LYS A 55 14.328 11.683 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.162 13.384 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.332 11.841 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.921 11.361 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.841 13.095 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.055 13.036 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.766 13.129 1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.572 10.404 2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.181 11.243 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.080 10.162 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.761 11.621 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.780 10.252 1.833 1.00 0.00 H new ATOM 867 N LYS A 56 11.410 12.347 6.918 1.00 0.00 N ATOM 868 CA LYS A 56 10.770 13.064 8.014 1.00 0.00 C ATOM 869 C LYS A 56 11.500 12.812 9.329 1.00 0.00 C ATOM 870 O LYS A 56 11.674 13.724 10.138 1.00 0.00 O ATOM 871 CB LYS A 56 9.305 12.639 8.142 1.00 0.00 C ATOM 872 CG LYS A 56 8.497 12.850 6.873 1.00 0.00 C ATOM 873 CD LYS A 56 8.281 14.326 6.589 1.00 0.00 C ATOM 874 CE LYS A 56 7.411 14.536 5.359 1.00 0.00 C ATOM 875 NZ LYS A 56 6.032 14.011 5.558 1.00 0.00 N ATOM 0 H LYS A 56 10.789 11.722 6.404 1.00 0.00 H new ATOM 0 HA LYS A 56 10.815 14.130 7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.264 11.585 8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.843 13.199 8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.013 12.388 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.532 12.352 6.968 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.813 14.799 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.244 14.814 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.364 15.599 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.868 14.041 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.406 14.389 4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.045 12.973 5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.680 14.304 6.492 1.00 0.00 H new ATOM 889 N ARG A 57 11.926 11.571 9.536 1.00 0.00 N ATOM 890 CA ARG A 57 12.638 11.200 10.753 1.00 0.00 C ATOM 891 C ARG A 57 13.825 12.127 10.992 1.00 0.00 C ATOM 892 O ARG A 57 14.401 12.691 10.062 1.00 0.00 O ATOM 893 CB ARG A 57 13.119 9.750 10.666 1.00 0.00 C ATOM 894 CG ARG A 57 12.002 8.752 10.409 1.00 0.00 C ATOM 895 CD ARG A 57 11.182 8.497 11.664 1.00 0.00 C ATOM 896 NE ARG A 57 9.841 8.010 11.353 1.00 0.00 N ATOM 897 CZ ARG A 57 8.778 8.247 12.114 1.00 0.00 C ATOM 898 NH1 ARG A 57 8.900 8.960 13.225 1.00 0.00 N ATOM 899 NH2 ARG A 57 7.591 7.770 11.764 1.00 0.00 N ATOM 0 H ARG A 57 11.791 10.805 8.877 1.00 0.00 H new ATOM 0 HA ARG A 57 11.948 11.297 11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.858 9.669 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.623 9.487 11.596 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.352 9.128 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.426 7.813 10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.696 7.768 12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.108 9.418 12.242 1.00 0.00 H new ATOM 0 HE ARG A 57 9.713 7.458 10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.811 9.328 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.082 9.141 13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.494 7.221 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.775 7.952 12.349 1.00 0.00 H new ATOM 913 N PRO A 58 14.201 12.291 12.269 1.00 0.00 N ATOM 914 CA PRO A 58 15.323 13.149 12.661 1.00 0.00 C ATOM 915 C PRO A 58 16.670 12.573 12.236 1.00 0.00 C ATOM 916 O PRO A 58 16.788 11.376 11.974 1.00 0.00 O ATOM 917 CB PRO A 58 15.219 13.195 14.187 1.00 0.00 C ATOM 918 CG PRO A 58 14.513 11.936 14.557 1.00 0.00 C ATOM 919 CD PRO A 58 13.560 11.649 13.430 1.00 0.00 C ATOM 0 HA PRO A 58 15.271 14.129 12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.205 13.247 14.650 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.664 14.072 14.520 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.220 11.117 14.689 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.979 12.051 15.500 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.431 10.578 13.276 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.571 12.065 13.624 1.00 0.00 H new ATOM 927 N ILE A 59 17.681 13.432 12.170 1.00 0.00 N ATOM 928 CA ILE A 59 19.019 13.008 11.778 1.00 0.00 C ATOM 929 C ILE A 59 19.491 11.829 12.623 1.00 0.00 C ATOM 930 O ILE A 59 20.287 11.006 12.171 1.00 0.00 O ATOM 931 CB ILE A 59 20.035 14.157 11.908 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.413 13.708 11.417 1.00 0.00 C ATOM 933 CG2 ILE A 59 20.112 14.636 13.350 1.00 0.00 C ATOM 934 CD1 ILE A 59 21.485 13.510 9.919 1.00 0.00 C ATOM 0 H ILE A 59 17.599 14.426 12.383 1.00 0.00 H new ATOM 0 HA ILE A 59 18.960 12.703 10.733 1.00 0.00 H new ATOM 0 HB ILE A 59 19.701 14.988 11.286 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.155 14.449 11.714 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.680 12.774 11.912 1.00 0.00 H new ATOM 0 HG21 ILE A 59 20.835 15.449 13.425 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.132 14.991 13.668 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.425 13.812 13.991 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.490 13.192 9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.767 12.747 9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.250 14.448 9.416 1.00 0.00 H new ATOM 946 N LYS A 60 18.993 11.753 13.852 1.00 0.00 N ATOM 947 CA LYS A 60 19.360 10.673 14.761 1.00 0.00 C ATOM 948 C LYS A 60 18.685 9.367 14.356 1.00 0.00 C ATOM 949 O LYS A 60 19.234 8.285 14.561 1.00 0.00 O ATOM 950 CB LYS A 60 18.975 11.035 16.198 1.00 0.00 C ATOM 951 CG LYS A 60 17.475 11.104 16.425 1.00 0.00 C ATOM 952 CD LYS A 60 17.143 11.342 17.889 1.00 0.00 C ATOM 953 CE LYS A 60 16.963 12.822 18.187 1.00 0.00 C ATOM 954 NZ LYS A 60 18.255 13.482 18.522 1.00 0.00 N ATOM 0 H LYS A 60 18.334 12.427 14.242 1.00 0.00 H new ATOM 0 HA LYS A 60 20.440 10.535 14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.404 10.298 16.877 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.418 11.998 16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.051 11.905 15.820 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.013 10.175 16.092 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.231 10.804 18.148 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.940 10.938 18.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.517 13.315 17.323 1.00 0.00 H new ATOM 0 HE3 LYS A 60 16.267 12.943 19.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.127 14.093 19.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 18.971 12.757 18.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 18.570 14.058 17.715 1.00 0.00 H new ATOM 968 N GLU A 61 17.493 9.477 13.778 1.00 0.00 N ATOM 969 CA GLU A 61 16.744 8.304 13.344 1.00 0.00 C ATOM 970 C GLU A 61 16.662 8.244 11.821 1.00 0.00 C ATOM 971 O GLU A 61 15.932 7.427 11.259 1.00 0.00 O ATOM 972 CB GLU A 61 15.336 8.320 13.942 1.00 0.00 C ATOM 973 CG GLU A 61 15.294 7.937 15.412 1.00 0.00 C ATOM 974 CD GLU A 61 15.204 6.438 15.622 1.00 0.00 C ATOM 975 OE1 GLU A 61 14.283 5.815 15.055 1.00 0.00 O ATOM 976 OE2 GLU A 61 16.054 5.889 16.354 1.00 0.00 O ATOM 0 H GLU A 61 17.026 10.366 13.600 1.00 0.00 H new ATOM 0 HA GLU A 61 17.270 7.417 13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.911 9.317 13.823 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.703 7.634 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.187 8.317 15.908 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.438 8.418 15.885 1.00 0.00 H new ATOM 983 N VAL A 62 17.415 9.116 11.159 1.00 0.00 N ATOM 984 CA VAL A 62 17.428 9.163 9.702 1.00 0.00 C ATOM 985 C VAL A 62 18.210 7.990 9.121 1.00 0.00 C ATOM 986 O VAL A 62 17.686 7.184 8.352 1.00 0.00 O ATOM 987 CB VAL A 62 18.042 10.479 9.188 1.00 0.00 C ATOM 988 CG1 VAL A 62 18.742 10.258 7.856 1.00 0.00 C ATOM 989 CG2 VAL A 62 16.973 11.554 9.066 1.00 0.00 C ATOM 0 H VAL A 62 18.024 9.800 11.608 1.00 0.00 H new ATOM 0 HA VAL A 62 16.390 9.102 9.375 1.00 0.00 H new ATOM 0 HB VAL A 62 18.785 10.818 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 62 19.169 11.199 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 62 19.537 9.522 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.022 9.894 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 62 17.425 12.477 8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 62 16.205 11.225 8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.523 11.732 10.043 1.00 0.00 H new ATOM 999 N PRO A 63 19.493 7.890 9.497 1.00 0.00 N ATOM 1000 CA PRO A 63 20.375 6.817 9.026 1.00 0.00 C ATOM 1001 C PRO A 63 19.997 5.459 9.607 1.00 0.00 C ATOM 1002 O PRO A 63 19.830 4.485 8.874 1.00 0.00 O ATOM 1003 CB PRO A 63 21.756 7.248 9.527 1.00 0.00 C ATOM 1004 CG PRO A 63 21.478 8.112 10.708 1.00 0.00 C ATOM 1005 CD PRO A 63 20.183 8.816 10.411 1.00 0.00 C ATOM 0 HA PRO A 63 20.320 6.688 7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.364 6.386 9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.304 7.793 8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.399 7.516 11.617 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.284 8.828 10.866 1.00 0.00 H new ATOM 0 HD2 PRO A 63 19.604 8.992 11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 63 20.351 9.788 9.947 1.00 0.00 H new ATOM 1013 N SER A 64 19.863 5.402 10.928 1.00 0.00 N ATOM 1014 CA SER A 64 19.507 4.162 11.608 1.00 0.00 C ATOM 1015 C SER A 64 18.388 3.437 10.866 1.00 0.00 C ATOM 1016 O SER A 64 18.365 2.208 10.804 1.00 0.00 O ATOM 1017 CB SER A 64 19.077 4.450 13.047 1.00 0.00 C ATOM 1018 OG SER A 64 20.187 4.820 13.847 1.00 0.00 O ATOM 0 H SER A 64 19.996 6.200 11.549 1.00 0.00 H new ATOM 0 HA SER A 64 20.387 3.519 11.621 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.336 5.250 13.055 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.598 3.567 13.470 1.00 0.00 H new ATOM 0 HG SER A 64 19.885 5.000 14.762 1.00 0.00 H new ATOM 1024 N ARG A 65 17.463 4.209 10.305 1.00 0.00 N ATOM 1025 CA ARG A 65 16.340 3.641 9.568 1.00 0.00 C ATOM 1026 C ARG A 65 16.769 3.212 8.168 1.00 0.00 C ATOM 1027 O ARG A 65 16.377 2.150 7.685 1.00 0.00 O ATOM 1028 CB ARG A 65 15.199 4.656 9.474 1.00 0.00 C ATOM 1029 CG ARG A 65 13.827 4.018 9.332 1.00 0.00 C ATOM 1030 CD ARG A 65 13.220 3.695 10.689 1.00 0.00 C ATOM 1031 NE ARG A 65 11.761 3.753 10.664 1.00 0.00 N ATOM 1032 CZ ARG A 65 11.001 3.611 11.744 1.00 0.00 C ATOM 1033 NH1 ARG A 65 11.559 3.406 12.929 1.00 0.00 N ATOM 1034 NH2 ARG A 65 9.680 3.676 11.640 1.00 0.00 N ATOM 0 H ARG A 65 17.469 5.228 10.347 1.00 0.00 H new ATOM 0 HA ARG A 65 15.992 2.761 10.108 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.208 5.284 10.365 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.376 5.311 8.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.166 4.692 8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.908 3.105 8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.538 2.700 11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.598 4.398 11.432 1.00 0.00 H new ATOM 0 HE ARG A 65 11.300 3.911 9.768 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.574 3.357 13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.973 3.297 13.757 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.247 3.835 10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.097 3.567 12.470 1.00 0.00 H new ATOM 1048 N VAL A 66 17.578 4.046 7.521 1.00 0.00 N ATOM 1049 CA VAL A 66 18.061 3.753 6.177 1.00 0.00 C ATOM 1050 C VAL A 66 18.337 2.264 6.004 1.00 0.00 C ATOM 1051 O VAL A 66 17.662 1.584 5.231 1.00 0.00 O ATOM 1052 CB VAL A 66 19.345 4.542 5.858 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.027 3.976 4.621 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.031 6.019 5.675 1.00 0.00 C ATOM 0 H VAL A 66 17.912 4.929 7.906 1.00 0.00 H new ATOM 0 HA VAL A 66 17.275 4.056 5.485 1.00 0.00 H new ATOM 0 HB VAL A 66 20.031 4.441 6.699 1.00 0.00 H new ATOM 0 HG11 VAL A 66 20.932 4.546 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.288 2.932 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.350 4.044 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 19.950 6.561 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.327 6.142 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.592 6.414 6.591 1.00 0.00 H new ATOM 1064 N GLN A 67 19.332 1.764 6.729 1.00 0.00 N ATOM 1065 CA GLN A 67 19.696 0.354 6.656 1.00 0.00 C ATOM 1066 C GLN A 67 18.490 -0.536 6.937 1.00 0.00 C ATOM 1067 O GLN A 67 18.224 -1.487 6.203 1.00 0.00 O ATOM 1068 CB GLN A 67 20.817 0.043 7.649 1.00 0.00 C ATOM 1069 CG GLN A 67 20.346 -0.036 9.093 1.00 0.00 C ATOM 1070 CD GLN A 67 21.496 -0.069 10.080 1.00 0.00 C ATOM 1071 OE1 GLN A 67 22.388 -0.912 9.985 1.00 0.00 O ATOM 1072 NE2 GLN A 67 21.481 0.851 11.038 1.00 0.00 N ATOM 0 H GLN A 67 19.900 2.314 7.373 1.00 0.00 H new ATOM 0 HA GLN A 67 20.048 0.148 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 67 21.282 -0.904 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.586 0.811 7.568 1.00 0.00 H new ATOM 0 HG2 GLN A 67 19.709 0.821 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.734 -0.929 9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 67 20.722 1.531 11.080 1.00 0.00 H new ATOM 0 HE22 GLN A 67 22.228 0.877 11.732 1.00 0.00 H new ATOM 1081 N GLU A 68 17.764 -0.220 8.005 1.00 0.00 N ATOM 1082 CA GLU A 68 16.586 -0.992 8.383 1.00 0.00 C ATOM 1083 C GLU A 68 15.676 -1.220 7.180 1.00 0.00 C ATOM 1084 O GLU A 68 15.469 -2.356 6.751 1.00 0.00 O ATOM 1085 CB GLU A 68 15.813 -0.275 9.493 1.00 0.00 C ATOM 1086 CG GLU A 68 16.520 -0.296 10.838 1.00 0.00 C ATOM 1087 CD GLU A 68 16.773 -1.704 11.342 1.00 0.00 C ATOM 1088 OE1 GLU A 68 15.859 -2.547 11.228 1.00 0.00 O ATOM 1089 OE2 GLU A 68 17.884 -1.962 11.850 1.00 0.00 O ATOM 0 H GLU A 68 17.971 0.565 8.623 1.00 0.00 H new ATOM 0 HA GLU A 68 16.922 -1.961 8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.645 0.760 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.833 -0.739 9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.470 0.232 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.919 0.245 11.569 1.00 0.00 H new ATOM 1096 N ILE A 69 15.134 -0.133 6.641 1.00 0.00 N ATOM 1097 CA ILE A 69 14.247 -0.214 5.487 1.00 0.00 C ATOM 1098 C ILE A 69 14.774 -1.207 4.457 1.00 0.00 C ATOM 1099 O ILE A 69 14.031 -2.052 3.957 1.00 0.00 O ATOM 1100 CB ILE A 69 14.070 1.160 4.815 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.403 2.142 5.781 1.00 0.00 C ATOM 1102 CG2 ILE A 69 13.251 1.025 3.540 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.817 3.580 5.562 1.00 0.00 C ATOM 0 H ILE A 69 15.294 0.814 6.985 1.00 0.00 H new ATOM 0 HA ILE A 69 13.280 -0.556 5.856 1.00 0.00 H new ATOM 0 HB ILE A 69 15.054 1.549 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.321 2.064 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.646 1.854 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.135 2.005 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.762 0.355 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.269 0.618 3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.306 4.219 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.895 3.673 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.549 3.886 4.551 1.00 0.00 H new ATOM 1115 N TRP A 70 16.060 -1.100 4.145 1.00 0.00 N ATOM 1116 CA TRP A 70 16.688 -1.990 3.175 1.00 0.00 C ATOM 1117 C TRP A 70 16.821 -3.401 3.737 1.00 0.00 C ATOM 1118 O TRP A 70 16.767 -4.382 2.995 1.00 0.00 O ATOM 1119 CB TRP A 70 18.064 -1.455 2.776 1.00 0.00 C ATOM 1120 CG TRP A 70 19.077 -2.534 2.541 1.00 0.00 C ATOM 1121 CD1 TRP A 70 19.756 -3.242 3.492 1.00 0.00 C ATOM 1122 CD2 TRP A 70 19.525 -3.028 1.275 1.00 0.00 C ATOM 1123 NE1 TRP A 70 20.600 -4.145 2.892 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.476 -4.035 1.533 1.00 0.00 C ATOM 1125 CE3 TRP A 70 19.214 -2.720 -0.052 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 21.118 -4.731 0.512 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 19.853 -3.411 -1.064 1.00 0.00 C ATOM 1128 CH2 TRP A 70 20.795 -4.408 -0.778 1.00 0.00 C ATOM 0 H TRP A 70 16.689 -0.406 4.549 1.00 0.00 H new ATOM 0 HA TRP A 70 16.051 -2.030 2.291 1.00 0.00 H new ATOM 0 HB2 TRP A 70 17.964 -0.857 1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.428 -0.790 3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.646 -3.111 4.558 1.00 0.00 H new ATOM 0 HE1 TRP A 70 21.219 -4.793 3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 70 18.487 -1.955 -0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 21.845 -5.499 0.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 19.622 -3.178 -2.093 1.00 0.00 H new ATOM 0 HH2 TRP A 70 21.275 -4.932 -1.591 1.00 0.00 H new ATOM 1139 N GLN A 71 16.996 -3.496 5.051 1.00 0.00 N ATOM 1140 CA GLN A 71 17.138 -4.788 5.712 1.00 0.00 C ATOM 1141 C GLN A 71 15.786 -5.480 5.850 1.00 0.00 C ATOM 1142 O GLN A 71 15.710 -6.639 6.255 1.00 0.00 O ATOM 1143 CB GLN A 71 17.778 -4.613 7.090 1.00 0.00 C ATOM 1144 CG GLN A 71 19.261 -4.286 7.035 1.00 0.00 C ATOM 1145 CD GLN A 71 19.996 -4.693 8.296 1.00 0.00 C ATOM 1146 OE1 GLN A 71 19.956 -3.990 9.306 1.00 0.00 O ATOM 1147 NE2 GLN A 71 20.673 -5.834 8.245 1.00 0.00 N ATOM 0 H GLN A 71 17.043 -2.694 5.679 1.00 0.00 H new ATOM 0 HA GLN A 71 17.785 -5.413 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.259 -3.817 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.637 -5.528 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.709 -4.791 6.179 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.387 -3.215 6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 71 20.679 -6.386 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.187 -6.159 9.064 1.00 0.00 H new ATOM 1156 N GLU A 72 14.721 -4.760 5.511 1.00 0.00 N ATOM 1157 CA GLU A 72 13.371 -5.305 5.599 1.00 0.00 C ATOM 1158 C GLU A 72 12.806 -5.587 4.209 1.00 0.00 C ATOM 1159 O GLU A 72 12.287 -6.671 3.946 1.00 0.00 O ATOM 1160 CB GLU A 72 12.454 -4.336 6.348 1.00 0.00 C ATOM 1161 CG GLU A 72 10.987 -4.733 6.308 1.00 0.00 C ATOM 1162 CD GLU A 72 10.191 -4.138 7.453 1.00 0.00 C ATOM 1163 OE1 GLU A 72 9.818 -2.950 7.363 1.00 0.00 O ATOM 1164 OE2 GLU A 72 9.940 -4.862 8.440 1.00 0.00 O ATOM 0 H GLU A 72 14.767 -3.799 5.173 1.00 0.00 H new ATOM 0 HA GLU A 72 13.421 -6.245 6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.777 -4.273 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.564 -3.340 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.553 -4.410 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.907 -5.820 6.341 1.00 0.00 H new ATOM 1171 N PHE A 73 12.911 -4.601 3.324 1.00 0.00 N ATOM 1172 CA PHE A 73 12.410 -4.741 1.962 1.00 0.00 C ATOM 1173 C PHE A 73 13.538 -5.111 1.002 1.00 0.00 C ATOM 1174 O PHE A 73 13.534 -6.191 0.409 1.00 0.00 O ATOM 1175 CB PHE A 73 11.743 -3.442 1.505 1.00 0.00 C ATOM 1176 CG PHE A 73 10.856 -2.825 2.549 1.00 0.00 C ATOM 1177 CD1 PHE A 73 9.616 -3.372 2.835 1.00 0.00 C ATOM 1178 CD2 PHE A 73 11.263 -1.697 3.243 1.00 0.00 C ATOM 1179 CE1 PHE A 73 8.798 -2.807 3.795 1.00 0.00 C ATOM 1180 CE2 PHE A 73 10.449 -1.128 4.205 1.00 0.00 C ATOM 1181 CZ PHE A 73 9.215 -1.683 4.480 1.00 0.00 C ATOM 0 H PHE A 73 13.338 -3.697 3.526 1.00 0.00 H new ATOM 0 HA PHE A 73 11.672 -5.543 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.515 -2.725 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.154 -3.641 0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.284 -4.251 2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.226 -1.257 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.834 -3.244 4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.778 -0.250 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.577 -1.239 5.230 1.00 0.00 H new ATOM 1191 N LEU A 74 14.500 -4.208 0.855 1.00 0.00 N ATOM 1192 CA LEU A 74 15.635 -4.438 -0.033 1.00 0.00 C ATOM 1193 C LEU A 74 16.568 -5.500 0.540 1.00 0.00 C ATOM 1194 O LEU A 74 17.724 -5.610 0.132 1.00 0.00 O ATOM 1195 CB LEU A 74 16.404 -3.135 -0.257 1.00 0.00 C ATOM 1196 CG LEU A 74 15.573 -1.934 -0.708 1.00 0.00 C ATOM 1197 CD1 LEU A 74 16.445 -0.694 -0.825 1.00 0.00 C ATOM 1198 CD2 LEU A 74 14.883 -2.229 -2.032 1.00 0.00 C ATOM 0 H LEU A 74 14.518 -3.310 1.338 1.00 0.00 H new ATOM 0 HA LEU A 74 15.251 -4.795 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.912 -2.872 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.178 -3.317 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 74 14.807 -1.745 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.836 0.150 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.892 -0.470 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.234 -0.872 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.296 -1.363 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.633 -2.446 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.225 -3.090 -1.915 1.00 0.00 H new ATOM 1210 N ALA A 75 16.057 -6.281 1.486 1.00 0.00 N ATOM 1211 CA ALA A 75 16.843 -7.337 2.111 1.00 0.00 C ATOM 1212 C ALA A 75 16.282 -8.714 1.771 1.00 0.00 C ATOM 1213 O ALA A 75 15.070 -8.920 1.712 1.00 0.00 O ATOM 1214 CB ALA A 75 16.885 -7.141 3.620 1.00 0.00 C ATOM 0 H ALA A 75 15.102 -6.202 1.836 1.00 0.00 H new ATOM 0 HA ALA A 75 17.858 -7.280 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.475 -7.937 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.339 -6.177 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.871 -7.169 4.019 1.00 0.00 H new ATOM 1220 N PRO A 76 17.183 -9.680 1.540 1.00 0.00 N ATOM 1221 CA PRO A 76 16.801 -11.054 1.201 1.00 0.00 C ATOM 1222 C PRO A 76 16.170 -11.788 2.380 1.00 0.00 C ATOM 1223 O PRO A 76 16.344 -11.396 3.533 1.00 0.00 O ATOM 1224 CB PRO A 76 18.131 -11.707 0.814 1.00 0.00 C ATOM 1225 CG PRO A 76 19.165 -10.916 1.537 1.00 0.00 C ATOM 1226 CD PRO A 76 18.644 -9.506 1.593 1.00 0.00 C ATOM 0 HA PRO A 76 16.050 -11.085 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.157 -12.756 1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.289 -11.674 -0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.329 -11.312 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.122 -10.958 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 76 18.955 -8.999 2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.008 -8.909 0.757 1.00 0.00 H new ATOM 1234 N GLY A 77 15.437 -12.856 2.082 1.00 0.00 N ATOM 1235 CA GLY A 77 14.791 -13.628 3.128 1.00 0.00 C ATOM 1236 C GLY A 77 14.005 -12.759 4.088 1.00 0.00 C ATOM 1237 O GLY A 77 13.664 -13.190 5.189 1.00 0.00 O ATOM 0 H GLY A 77 15.279 -13.201 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.122 -14.360 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.546 -14.186 3.682 1.00 0.00 H new ATOM 1241 N ALA A 78 13.718 -11.530 3.672 1.00 0.00 N ATOM 1242 CA ALA A 78 12.967 -10.598 4.504 1.00 0.00 C ATOM 1243 C ALA A 78 11.469 -10.874 4.424 1.00 0.00 C ATOM 1244 O ALA A 78 10.978 -11.495 3.481 1.00 0.00 O ATOM 1245 CB ALA A 78 13.264 -9.164 4.090 1.00 0.00 C ATOM 0 H ALA A 78 13.994 -11.157 2.764 1.00 0.00 H new ATOM 0 HA ALA A 78 13.281 -10.739 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.697 -8.479 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.329 -8.965 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.979 -9.020 3.048 1.00 0.00 H new ATOM 1251 N PRO A 79 10.725 -10.404 5.435 1.00 0.00 N ATOM 1252 CA PRO A 79 9.272 -10.589 5.502 1.00 0.00 C ATOM 1253 C PRO A 79 8.535 -9.769 4.449 1.00 0.00 C ATOM 1254 O PRO A 79 7.608 -10.259 3.804 1.00 0.00 O ATOM 1255 CB PRO A 79 8.916 -10.099 6.908 1.00 0.00 C ATOM 1256 CG PRO A 79 9.999 -9.139 7.260 1.00 0.00 C ATOM 1257 CD PRO A 79 11.244 -9.656 6.592 1.00 0.00 C ATOM 0 HA PRO A 79 8.983 -11.623 5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.939 -9.616 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.874 -10.926 7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.758 -8.134 6.912 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.132 -9.079 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.901 -8.843 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.821 -10.297 7.259 1.00 0.00 H new ATOM 1265 N SER A 80 8.953 -8.519 4.280 1.00 0.00 N ATOM 1266 CA SER A 80 8.329 -7.629 3.307 1.00 0.00 C ATOM 1267 C SER A 80 9.258 -7.383 2.122 1.00 0.00 C ATOM 1268 O SER A 80 9.078 -6.429 1.366 1.00 0.00 O ATOM 1269 CB SER A 80 7.959 -6.298 3.965 1.00 0.00 C ATOM 1270 OG SER A 80 6.761 -5.775 3.418 1.00 0.00 O ATOM 0 H SER A 80 9.721 -8.099 4.804 1.00 0.00 H new ATOM 0 HA SER A 80 7.422 -8.110 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.840 -6.440 5.039 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.769 -5.582 3.826 1.00 0.00 H new ATOM 0 HG SER A 80 5.992 -6.238 3.811 1.00 0.00 H new ATOM 1276 N ALA A 81 10.253 -8.250 1.968 1.00 0.00 N ATOM 1277 CA ALA A 81 11.210 -8.129 0.876 1.00 0.00 C ATOM 1278 C ALA A 81 10.497 -7.956 -0.461 1.00 0.00 C ATOM 1279 O ALA A 81 9.690 -8.796 -0.859 1.00 0.00 O ATOM 1280 CB ALA A 81 12.122 -9.346 0.835 1.00 0.00 C ATOM 0 H ALA A 81 10.417 -9.044 2.586 1.00 0.00 H new ATOM 0 HA ALA A 81 11.816 -7.241 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.832 -9.241 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.665 -9.425 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.523 -10.244 0.685 1.00 0.00 H new ATOM 1286 N ILE A 82 10.801 -6.861 -1.150 1.00 0.00 N ATOM 1287 CA ILE A 82 10.189 -6.578 -2.443 1.00 0.00 C ATOM 1288 C ILE A 82 11.142 -6.908 -3.586 1.00 0.00 C ATOM 1289 O ILE A 82 12.254 -7.384 -3.363 1.00 0.00 O ATOM 1290 CB ILE A 82 9.764 -5.102 -2.554 1.00 0.00 C ATOM 1291 CG1 ILE A 82 10.977 -4.185 -2.377 1.00 0.00 C ATOM 1292 CG2 ILE A 82 8.694 -4.779 -1.521 1.00 0.00 C ATOM 1293 CD1 ILE A 82 10.806 -2.826 -3.019 1.00 0.00 C ATOM 0 H ILE A 82 11.467 -6.156 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 82 9.303 -7.209 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 82 9.346 -4.933 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.170 -4.053 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.855 -4.671 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.404 -3.732 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.823 -5.413 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.087 -4.961 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.704 -2.230 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.643 -2.947 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.948 -2.320 -2.577 1.00 0.00 H new ATOM 1305 N ASN A 83 10.698 -6.651 -4.812 1.00 0.00 N ATOM 1306 CA ASN A 83 11.513 -6.920 -5.992 1.00 0.00 C ATOM 1307 C ASN A 83 11.677 -5.661 -6.838 1.00 0.00 C ATOM 1308 O ASN A 83 10.727 -4.900 -7.030 1.00 0.00 O ATOM 1309 CB ASN A 83 10.881 -8.033 -6.830 1.00 0.00 C ATOM 1310 CG ASN A 83 11.778 -8.479 -7.969 1.00 0.00 C ATOM 1311 OD1 ASN A 83 12.422 -9.526 -7.893 1.00 0.00 O ATOM 1312 ND2 ASN A 83 11.823 -7.685 -9.032 1.00 0.00 N ATOM 0 H ASN A 83 9.779 -6.257 -5.015 1.00 0.00 H new ATOM 0 HA ASN A 83 12.499 -7.242 -5.657 1.00 0.00 H new ATOM 0 HB2 ASN A 83 10.661 -8.887 -6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.931 -7.685 -7.234 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.408 -7.933 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.272 -6.827 -9.051 1.00 0.00 H new ATOM 1319 N LEU A 84 12.887 -5.448 -7.343 1.00 0.00 N ATOM 1320 CA LEU A 84 13.176 -4.282 -8.170 1.00 0.00 C ATOM 1321 C LEU A 84 13.938 -4.683 -9.430 1.00 0.00 C ATOM 1322 O LEU A 84 14.293 -5.849 -9.608 1.00 0.00 O ATOM 1323 CB LEU A 84 13.987 -3.257 -7.375 1.00 0.00 C ATOM 1324 CG LEU A 84 13.352 -2.762 -6.076 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.413 -2.192 -5.147 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.282 -1.720 -6.368 1.00 0.00 C ATOM 0 H LEU A 84 13.684 -6.067 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 84 12.228 -3.835 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.957 -3.695 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.174 -2.395 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 84 12.880 -3.610 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.943 -1.844 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.144 -2.966 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.914 -1.357 -5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.841 -1.379 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.731 -0.873 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.507 -2.160 -6.995 1.00 0.00 H new ATOM 1338 N ASP A 85 14.187 -3.710 -10.299 1.00 0.00 N ATOM 1339 CA ASP A 85 14.909 -3.961 -11.541 1.00 0.00 C ATOM 1340 C ASP A 85 16.389 -4.209 -11.268 1.00 0.00 C ATOM 1341 O ASP A 85 16.899 -3.869 -10.201 1.00 0.00 O ATOM 1342 CB ASP A 85 14.746 -2.779 -12.498 1.00 0.00 C ATOM 1343 CG ASP A 85 14.810 -3.200 -13.953 1.00 0.00 C ATOM 1344 OD1 ASP A 85 15.359 -4.286 -14.233 1.00 0.00 O ATOM 1345 OD2 ASP A 85 14.313 -2.443 -14.813 1.00 0.00 O ATOM 0 H ASP A 85 13.900 -2.740 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 85 14.488 -4.854 -12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.792 -2.289 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.527 -2.045 -12.300 1.00 0.00 H new ATOM 1350 N SER A 86 17.073 -4.806 -12.239 1.00 0.00 N ATOM 1351 CA SER A 86 18.494 -5.104 -12.102 1.00 0.00 C ATOM 1352 C SER A 86 19.308 -3.821 -11.968 1.00 0.00 C ATOM 1353 O SER A 86 20.149 -3.695 -11.078 1.00 0.00 O ATOM 1354 CB SER A 86 18.986 -5.911 -13.305 1.00 0.00 C ATOM 1355 OG SER A 86 18.736 -5.222 -14.518 1.00 0.00 O ATOM 0 H SER A 86 16.666 -5.093 -13.129 1.00 0.00 H new ATOM 0 HA SER A 86 18.630 -5.696 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.054 -6.103 -13.206 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.488 -6.881 -13.325 1.00 0.00 H new ATOM 0 HG SER A 86 19.061 -5.758 -15.271 1.00 0.00 H new ATOM 1361 N LYS A 87 19.052 -2.870 -12.860 1.00 0.00 N ATOM 1362 CA LYS A 87 19.759 -1.595 -12.844 1.00 0.00 C ATOM 1363 C LYS A 87 19.391 -0.785 -11.605 1.00 0.00 C ATOM 1364 O LYS A 87 20.250 -0.157 -10.985 1.00 0.00 O ATOM 1365 CB LYS A 87 19.434 -0.792 -14.106 1.00 0.00 C ATOM 1366 CG LYS A 87 17.974 -0.389 -14.211 1.00 0.00 C ATOM 1367 CD LYS A 87 17.728 0.510 -15.411 1.00 0.00 C ATOM 1368 CE LYS A 87 17.478 -0.300 -16.673 1.00 0.00 C ATOM 1369 NZ LYS A 87 16.190 -1.044 -16.608 1.00 0.00 N ATOM 0 H LYS A 87 18.359 -2.958 -13.604 1.00 0.00 H new ATOM 0 HA LYS A 87 20.829 -1.801 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.052 0.106 -14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.703 -1.383 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.354 -1.282 -14.291 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.672 0.128 -13.300 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.870 1.154 -15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.588 1.162 -15.561 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.470 0.366 -17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 87 18.297 -1.004 -16.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.366 -2.057 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.756 -0.905 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.547 -0.690 -17.344 1.00 0.00 H new ATOM 1383 N SER A 88 18.111 -0.805 -11.248 1.00 0.00 N ATOM 1384 CA SER A 88 17.630 -0.071 -10.084 1.00 0.00 C ATOM 1385 C SER A 88 18.207 -0.654 -8.797 1.00 0.00 C ATOM 1386 O SER A 88 18.905 0.032 -8.051 1.00 0.00 O ATOM 1387 CB SER A 88 16.101 -0.102 -10.031 1.00 0.00 C ATOM 1388 OG SER A 88 15.539 0.652 -11.091 1.00 0.00 O ATOM 0 H SER A 88 17.388 -1.322 -11.749 1.00 0.00 H new ATOM 0 HA SER A 88 17.962 0.963 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.753 -1.133 -10.089 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.759 0.296 -9.076 1.00 0.00 H new ATOM 0 HG SER A 88 14.561 0.615 -11.036 1.00 0.00 H new ATOM 1394 N TYR A 89 17.908 -1.923 -8.545 1.00 0.00 N ATOM 1395 CA TYR A 89 18.394 -2.599 -7.348 1.00 0.00 C ATOM 1396 C TYR A 89 19.868 -2.286 -7.106 1.00 0.00 C ATOM 1397 O TYR A 89 20.273 -1.982 -5.984 1.00 0.00 O ATOM 1398 CB TYR A 89 18.197 -4.111 -7.475 1.00 0.00 C ATOM 1399 CG TYR A 89 18.215 -4.837 -6.149 1.00 0.00 C ATOM 1400 CD1 TYR A 89 19.404 -5.315 -5.613 1.00 0.00 C ATOM 1401 CD2 TYR A 89 17.043 -5.045 -5.432 1.00 0.00 C ATOM 1402 CE1 TYR A 89 19.425 -5.980 -4.402 1.00 0.00 C ATOM 1403 CE2 TYR A 89 17.055 -5.708 -4.220 1.00 0.00 C ATOM 1404 CZ TYR A 89 18.248 -6.173 -3.709 1.00 0.00 C ATOM 1405 OH TYR A 89 18.265 -6.834 -2.502 1.00 0.00 O ATOM 0 H TYR A 89 17.332 -2.504 -9.153 1.00 0.00 H new ATOM 0 HA TYR A 89 17.819 -2.234 -6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.247 -4.305 -7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 89 18.981 -4.519 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR A 89 20.328 -5.164 -6.152 1.00 0.00 H new ATOM 0 HD2 TYR A 89 16.107 -4.682 -5.829 1.00 0.00 H new ATOM 0 HE1 TYR A 89 20.358 -6.347 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A 89 16.135 -5.861 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 89 18.054 -6.204 -1.781 1.00 0.00 H new ATOM 1415 N ASP A 90 20.664 -2.363 -8.166 1.00 0.00 N ATOM 1416 CA ASP A 90 22.093 -2.086 -8.071 1.00 0.00 C ATOM 1417 C ASP A 90 22.339 -0.654 -7.608 1.00 0.00 C ATOM 1418 O ASP A 90 23.052 -0.419 -6.632 1.00 0.00 O ATOM 1419 CB ASP A 90 22.771 -2.323 -9.422 1.00 0.00 C ATOM 1420 CG ASP A 90 24.223 -2.732 -9.276 1.00 0.00 C ATOM 1421 OD1 ASP A 90 24.477 -3.888 -8.878 1.00 0.00 O ATOM 1422 OD2 ASP A 90 25.107 -1.896 -9.560 1.00 0.00 O ATOM 0 H ASP A 90 20.345 -2.615 -9.101 1.00 0.00 H new ATOM 0 HA ASP A 90 22.522 -2.765 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 90 22.231 -3.098 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 90 22.711 -1.414 -10.020 1.00 0.00 H new ATOM 1427 N LYS A 91 21.746 0.301 -8.316 1.00 0.00 N ATOM 1428 CA LYS A 91 21.900 1.712 -7.979 1.00 0.00 C ATOM 1429 C LYS A 91 21.672 1.943 -6.489 1.00 0.00 C ATOM 1430 O LYS A 91 22.450 2.636 -5.831 1.00 0.00 O ATOM 1431 CB LYS A 91 20.922 2.562 -8.793 1.00 0.00 C ATOM 1432 CG LYS A 91 21.355 4.009 -8.946 1.00 0.00 C ATOM 1433 CD LYS A 91 22.474 4.152 -9.965 1.00 0.00 C ATOM 1434 CE LYS A 91 22.821 5.612 -10.210 1.00 0.00 C ATOM 1435 NZ LYS A 91 21.916 6.236 -11.215 1.00 0.00 N ATOM 0 H LYS A 91 21.154 0.124 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 91 22.920 2.009 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 91 20.806 2.120 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.943 2.533 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.502 4.614 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.688 4.394 -7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.358 3.621 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.175 3.686 -10.904 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.757 6.163 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.853 5.687 -10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 22.185 7.231 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.996 5.726 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.934 6.187 -10.876 1.00 0.00 H new ATOM 1449 N THR A 92 20.602 1.357 -5.960 1.00 0.00 N ATOM 1450 CA THR A 92 20.273 1.499 -4.547 1.00 0.00 C ATOM 1451 C THR A 92 21.380 0.935 -3.665 1.00 0.00 C ATOM 1452 O THR A 92 21.996 1.659 -2.883 1.00 0.00 O ATOM 1453 CB THR A 92 18.948 0.791 -4.206 1.00 0.00 C ATOM 1454 OG1 THR A 92 17.875 1.369 -4.958 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.646 0.897 -2.719 1.00 0.00 C ATOM 0 H THR A 92 19.949 0.780 -6.489 1.00 0.00 H new ATOM 0 HA THR A 92 20.167 2.566 -4.352 1.00 0.00 H new ATOM 0 HB THR A 92 19.047 -0.263 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.124 0.740 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.706 0.390 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.450 0.430 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.565 1.947 -2.438 1.00 0.00 H new ATOM 1463 N THR A 93 21.630 -0.365 -3.796 1.00 0.00 N ATOM 1464 CA THR A 93 22.664 -1.027 -3.010 1.00 0.00 C ATOM 1465 C THR A 93 23.906 -0.153 -2.888 1.00 0.00 C ATOM 1466 O THR A 93 24.502 -0.050 -1.815 1.00 0.00 O ATOM 1467 CB THR A 93 23.061 -2.380 -3.631 1.00 0.00 C ATOM 1468 OG1 THR A 93 21.893 -3.176 -3.858 1.00 0.00 O ATOM 1469 CG2 THR A 93 24.023 -3.130 -2.722 1.00 0.00 C ATOM 0 H THR A 93 21.130 -0.980 -4.439 1.00 0.00 H new ATOM 0 HA THR A 93 22.246 -1.199 -2.018 1.00 0.00 H new ATOM 0 HB THR A 93 23.559 -2.187 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.438 -2.866 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 93 24.289 -4.082 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 93 24.923 -2.534 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 93 23.546 -3.312 -1.759 1.00 0.00 H new ATOM 1477 N HIS A 94 24.293 0.477 -3.993 1.00 0.00 N ATOM 1478 CA HIS A 94 25.465 1.344 -4.009 1.00 0.00 C ATOM 1479 C HIS A 94 25.237 2.581 -3.145 1.00 0.00 C ATOM 1480 O HIS A 94 26.116 2.993 -2.389 1.00 0.00 O ATOM 1481 CB HIS A 94 25.797 1.762 -5.441 1.00 0.00 C ATOM 1482 CG HIS A 94 26.686 2.965 -5.523 1.00 0.00 C ATOM 1483 ND1 HIS A 94 28.015 2.896 -5.884 1.00 0.00 N ATOM 1484 CD2 HIS A 94 26.428 4.274 -5.291 1.00 0.00 C ATOM 1485 CE1 HIS A 94 28.537 4.110 -5.867 1.00 0.00 C ATOM 1486 NE2 HIS A 94 27.595 4.964 -5.511 1.00 0.00 N ATOM 0 H HIS A 94 23.811 0.403 -4.889 1.00 0.00 H new ATOM 0 HA HIS A 94 26.306 0.785 -3.598 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.279 0.928 -5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 94 24.869 1.969 -5.975 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.481 4.697 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.560 4.361 -6.104 1.00 0.00 H new ATOM 0 HE2 HIS A 94 27.715 5.972 -5.415 1.00 0.00 H new ATOM 1494 N ASN A 95 24.051 3.169 -3.263 1.00 0.00 N ATOM 1495 CA ASN A 95 23.709 4.360 -2.494 1.00 0.00 C ATOM 1496 C ASN A 95 23.677 4.052 -1.000 1.00 0.00 C ATOM 1497 O ASN A 95 24.232 4.796 -0.191 1.00 0.00 O ATOM 1498 CB ASN A 95 22.352 4.909 -2.942 1.00 0.00 C ATOM 1499 CG ASN A 95 22.292 5.153 -4.438 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.273 4.942 -5.152 1.00 0.00 O ATOM 1501 ND2 ASN A 95 21.138 5.601 -4.918 1.00 0.00 N ATOM 0 H ASN A 95 23.311 2.840 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 95 24.476 5.113 -2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.568 4.207 -2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 95 22.149 5.842 -2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.038 5.785 -5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.352 5.761 -4.288 1.00 0.00 H new ATOM 1508 N VAL A 96 23.025 2.951 -0.642 1.00 0.00 N ATOM 1509 CA VAL A 96 22.922 2.543 0.754 1.00 0.00 C ATOM 1510 C VAL A 96 24.200 2.874 1.518 1.00 0.00 C ATOM 1511 O VAL A 96 24.153 3.302 2.672 1.00 0.00 O ATOM 1512 CB VAL A 96 22.638 1.035 0.879 1.00 0.00 C ATOM 1513 CG1 VAL A 96 22.562 0.624 2.341 1.00 0.00 C ATOM 1514 CG2 VAL A 96 21.354 0.672 0.147 1.00 0.00 C ATOM 0 H VAL A 96 22.560 2.325 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 96 22.089 3.098 1.186 1.00 0.00 H new ATOM 0 HB VAL A 96 23.460 0.489 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 96 22.361 -0.445 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 96 23.510 0.846 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.761 1.176 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.169 -0.398 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.520 1.226 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.452 0.927 -0.908 1.00 0.00 H new ATOM 1524 N LYS A 97 25.341 2.672 0.868 1.00 0.00 N ATOM 1525 CA LYS A 97 26.632 2.950 1.484 1.00 0.00 C ATOM 1526 C LYS A 97 26.545 4.158 2.411 1.00 0.00 C ATOM 1527 O LYS A 97 26.972 4.099 3.563 1.00 0.00 O ATOM 1528 CB LYS A 97 27.692 3.195 0.407 1.00 0.00 C ATOM 1529 CG LYS A 97 28.440 1.940 -0.007 1.00 0.00 C ATOM 1530 CD LYS A 97 27.535 0.971 -0.748 1.00 0.00 C ATOM 1531 CE LYS A 97 28.130 -0.429 -0.785 1.00 0.00 C ATOM 1532 NZ LYS A 97 29.019 -0.623 -1.964 1.00 0.00 N ATOM 0 H LYS A 97 25.397 2.316 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 97 26.918 2.081 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.213 3.628 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 97 28.408 3.930 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 97 29.283 2.211 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 97 28.851 1.452 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.559 0.940 -0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.375 1.327 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 97 28.696 -0.607 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 97 27.326 -1.165 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.404 -1.589 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.474 -0.478 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 29.801 0.062 -1.926 1.00 0.00 H new ATOM 1546 N GLU A 98 25.987 5.251 1.900 1.00 0.00 N ATOM 1547 CA GLU A 98 25.843 6.472 2.684 1.00 0.00 C ATOM 1548 C GLU A 98 24.372 6.768 2.965 1.00 0.00 C ATOM 1549 O GLU A 98 23.598 7.103 2.068 1.00 0.00 O ATOM 1550 CB GLU A 98 26.481 7.653 1.950 1.00 0.00 C ATOM 1551 CG GLU A 98 26.063 7.763 0.494 1.00 0.00 C ATOM 1552 CD GLU A 98 26.330 9.138 -0.088 1.00 0.00 C ATOM 1553 OE1 GLU A 98 25.828 10.130 0.479 1.00 0.00 O ATOM 1554 OE2 GLU A 98 27.042 9.220 -1.111 1.00 0.00 O ATOM 0 H GLU A 98 25.628 5.316 0.948 1.00 0.00 H new ATOM 0 HA GLU A 98 26.354 6.325 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 98 26.216 8.576 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 98 27.566 7.559 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 98 26.598 7.015 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 98 25.000 7.536 0.407 1.00 0.00 H new ATOM 1561 N PRO A 99 23.977 6.642 4.241 1.00 0.00 N ATOM 1562 CA PRO A 99 22.598 6.891 4.670 1.00 0.00 C ATOM 1563 C PRO A 99 22.226 8.368 4.599 1.00 0.00 C ATOM 1564 O PRO A 99 22.970 9.228 5.069 1.00 0.00 O ATOM 1565 CB PRO A 99 22.586 6.406 6.122 1.00 0.00 C ATOM 1566 CG PRO A 99 24.000 6.525 6.573 1.00 0.00 C ATOM 1567 CD PRO A 99 24.846 6.246 5.362 1.00 0.00 C ATOM 0 HA PRO A 99 21.875 6.385 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.922 7.014 6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.233 5.377 6.193 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.201 7.521 6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.216 5.815 7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 99 25.771 6.822 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.126 5.194 5.301 1.00 0.00 H new ATOM 1575 N GLY A 100 21.070 8.655 4.008 1.00 0.00 N ATOM 1576 CA GLY A 100 20.621 10.029 3.886 1.00 0.00 C ATOM 1577 C GLY A 100 19.113 10.157 3.982 1.00 0.00 C ATOM 1578 O GLY A 100 18.481 9.512 4.819 1.00 0.00 O ATOM 0 H GLY A 100 20.437 7.960 3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 100 21.084 10.630 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.957 10.434 2.932 1.00 0.00 H new ATOM 1582 N ARG A 101 18.536 10.991 3.124 1.00 0.00 N ATOM 1583 CA ARG A 101 17.093 11.203 3.118 1.00 0.00 C ATOM 1584 C ARG A 101 16.486 10.769 1.787 1.00 0.00 C ATOM 1585 O ARG A 101 15.365 10.261 1.741 1.00 0.00 O ATOM 1586 CB ARG A 101 16.772 12.676 3.381 1.00 0.00 C ATOM 1587 CG ARG A 101 16.908 13.077 4.840 1.00 0.00 C ATOM 1588 CD ARG A 101 16.134 14.351 5.143 1.00 0.00 C ATOM 1589 NE ARG A 101 16.179 14.695 6.561 1.00 0.00 N ATOM 1590 CZ ARG A 101 16.087 15.939 7.019 1.00 0.00 C ATOM 1591 NH1 ARG A 101 15.946 16.951 6.174 1.00 0.00 N ATOM 1592 NH2 ARG A 101 16.136 16.172 8.324 1.00 0.00 N ATOM 0 H ARG A 101 19.045 11.531 2.424 1.00 0.00 H new ATOM 0 HA ARG A 101 16.658 10.596 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.435 13.297 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.754 12.882 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.545 12.270 5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.961 13.224 5.081 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.546 15.173 4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.096 14.227 4.833 1.00 0.00 H new ATOM 0 HE ARG A 101 16.287 13.939 7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 101 15.908 16.776 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.876 17.905 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 101 16.244 15.396 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 101 16.065 17.127 8.675 1.00 0.00 H new ATOM 1606 N TYR A 102 17.233 10.972 0.708 1.00 0.00 N ATOM 1607 CA TYR A 102 16.767 10.605 -0.624 1.00 0.00 C ATOM 1608 C TYR A 102 17.592 9.454 -1.192 1.00 0.00 C ATOM 1609 O TYR A 102 17.587 9.205 -2.398 1.00 0.00 O ATOM 1610 CB TYR A 102 16.838 11.810 -1.563 1.00 0.00 C ATOM 1611 CG TYR A 102 16.249 13.072 -0.975 1.00 0.00 C ATOM 1612 CD1 TYR A 102 14.938 13.102 -0.517 1.00 0.00 C ATOM 1613 CD2 TYR A 102 17.004 14.234 -0.876 1.00 0.00 C ATOM 1614 CE1 TYR A 102 14.395 14.253 0.021 1.00 0.00 C ATOM 1615 CE2 TYR A 102 16.470 15.389 -0.339 1.00 0.00 C ATOM 1616 CZ TYR A 102 15.165 15.394 0.108 1.00 0.00 C ATOM 1617 OH TYR A 102 14.629 16.542 0.644 1.00 0.00 O ATOM 0 H TYR A 102 18.164 11.389 0.729 1.00 0.00 H new ATOM 0 HA TYR A 102 15.730 10.279 -0.541 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.880 11.994 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 102 16.313 11.571 -2.488 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.333 12.210 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 102 18.026 14.234 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.373 14.259 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 102 17.071 16.284 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 102 15.303 17.254 0.633 1.00 0.00 H new ATOM 1627 N THR A 103 18.302 8.753 -0.312 1.00 0.00 N ATOM 1628 CA THR A 103 19.133 7.629 -0.723 1.00 0.00 C ATOM 1629 C THR A 103 18.316 6.590 -1.483 1.00 0.00 C ATOM 1630 O THR A 103 18.788 6.009 -2.461 1.00 0.00 O ATOM 1631 CB THR A 103 19.802 6.953 0.488 1.00 0.00 C ATOM 1632 OG1 THR A 103 20.649 7.888 1.166 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.620 5.746 0.051 1.00 0.00 C ATOM 0 H THR A 103 18.317 8.945 0.690 1.00 0.00 H new ATOM 0 HA THR A 103 19.906 8.030 -1.379 1.00 0.00 H new ATOM 0 HB THR A 103 19.018 6.615 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 103 21.506 7.461 1.376 1.00 0.00 H new ATOM 0 HG21 THR A 103 21.083 5.285 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.968 5.023 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.396 6.065 -0.645 1.00 0.00 H new ATOM 1641 N PHE A 104 17.089 6.361 -1.029 1.00 0.00 N ATOM 1642 CA PHE A 104 16.206 5.391 -1.666 1.00 0.00 C ATOM 1643 C PHE A 104 15.241 6.082 -2.626 1.00 0.00 C ATOM 1644 O PHE A 104 14.222 5.512 -3.014 1.00 0.00 O ATOM 1645 CB PHE A 104 15.421 4.612 -0.609 1.00 0.00 C ATOM 1646 CG PHE A 104 16.292 3.797 0.304 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.976 2.691 -0.174 1.00 0.00 C ATOM 1648 CD2 PHE A 104 16.425 4.136 1.641 1.00 0.00 C ATOM 1649 CE1 PHE A 104 17.779 1.939 0.663 1.00 0.00 C ATOM 1650 CE2 PHE A 104 17.226 3.388 2.483 1.00 0.00 C ATOM 1651 CZ PHE A 104 17.903 2.288 1.994 1.00 0.00 C ATOM 0 H PHE A 104 16.683 6.834 -0.222 1.00 0.00 H new ATOM 0 HA PHE A 104 16.823 4.696 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.837 5.312 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.712 3.951 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.881 2.413 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.897 4.994 2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 104 18.308 1.080 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 104 17.322 3.664 3.523 1.00 0.00 H new ATOM 0 HZ PHE A 104 18.528 1.702 2.651 1.00 0.00 H new ATOM 1661 N GLU A 105 15.571 7.314 -3.002 1.00 0.00 N ATOM 1662 CA GLU A 105 14.733 8.083 -3.914 1.00 0.00 C ATOM 1663 C GLU A 105 14.427 7.284 -5.177 1.00 0.00 C ATOM 1664 O GLU A 105 13.272 7.167 -5.586 1.00 0.00 O ATOM 1665 CB GLU A 105 15.419 9.400 -4.284 1.00 0.00 C ATOM 1666 CG GLU A 105 14.524 10.357 -5.053 1.00 0.00 C ATOM 1667 CD GLU A 105 15.212 11.670 -5.373 1.00 0.00 C ATOM 1668 OE1 GLU A 105 16.112 12.071 -4.605 1.00 0.00 O ATOM 1669 OE2 GLU A 105 14.851 12.296 -6.391 1.00 0.00 O ATOM 0 H GLU A 105 16.412 7.800 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 105 13.793 8.301 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.762 9.890 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 105 16.304 9.183 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.204 9.883 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.625 10.555 -4.470 1.00 0.00 H new ATOM 1676 N ASP A 106 15.470 6.736 -5.790 1.00 0.00 N ATOM 1677 CA ASP A 106 15.314 5.947 -7.007 1.00 0.00 C ATOM 1678 C ASP A 106 14.301 4.825 -6.800 1.00 0.00 C ATOM 1679 O ASP A 106 13.300 4.742 -7.510 1.00 0.00 O ATOM 1680 CB ASP A 106 16.661 5.362 -7.437 1.00 0.00 C ATOM 1681 CG ASP A 106 17.800 6.349 -7.271 1.00 0.00 C ATOM 1682 OD1 ASP A 106 17.592 7.547 -7.553 1.00 0.00 O ATOM 1683 OD2 ASP A 106 18.899 5.922 -6.859 1.00 0.00 O ATOM 0 H ASP A 106 16.433 6.823 -5.465 1.00 0.00 H new ATOM 0 HA ASP A 106 14.945 6.605 -7.793 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.870 4.468 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.603 5.051 -8.480 1.00 0.00 H new ATOM 1688 N ALA A 107 14.571 3.963 -5.825 1.00 0.00 N ATOM 1689 CA ALA A 107 13.683 2.847 -5.525 1.00 0.00 C ATOM 1690 C ALA A 107 12.253 3.328 -5.300 1.00 0.00 C ATOM 1691 O ALA A 107 11.332 2.913 -6.003 1.00 0.00 O ATOM 1692 CB ALA A 107 14.183 2.087 -4.305 1.00 0.00 C ATOM 0 H ALA A 107 15.398 4.016 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 107 13.683 2.175 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.510 1.256 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.184 1.702 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.214 2.757 -3.446 1.00 0.00 H new ATOM 1698 N GLN A 108 12.076 4.204 -4.317 1.00 0.00 N ATOM 1699 CA GLN A 108 10.757 4.740 -4.000 1.00 0.00 C ATOM 1700 C GLN A 108 10.010 5.135 -5.270 1.00 0.00 C ATOM 1701 O GLN A 108 8.805 4.915 -5.385 1.00 0.00 O ATOM 1702 CB GLN A 108 10.884 5.949 -3.072 1.00 0.00 C ATOM 1703 CG GLN A 108 9.565 6.659 -2.814 1.00 0.00 C ATOM 1704 CD GLN A 108 9.684 7.748 -1.766 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.644 8.518 -1.760 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.705 7.818 -0.871 1.00 0.00 N ATOM 0 H GLN A 108 12.829 4.558 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 108 10.188 3.960 -3.493 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.304 5.624 -2.120 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.590 6.657 -3.506 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.203 7.094 -3.745 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.821 5.930 -2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.927 7.159 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.731 8.531 -0.142 1.00 0.00 H new ATOM 1715 N GLU A 109 10.735 5.719 -6.219 1.00 0.00 N ATOM 1716 CA GLU A 109 10.139 6.145 -7.480 1.00 0.00 C ATOM 1717 C GLU A 109 9.742 4.940 -8.329 1.00 0.00 C ATOM 1718 O GLU A 109 8.619 4.860 -8.826 1.00 0.00 O ATOM 1719 CB GLU A 109 11.114 7.031 -8.257 1.00 0.00 C ATOM 1720 CG GLU A 109 10.851 7.061 -9.753 1.00 0.00 C ATOM 1721 CD GLU A 109 11.833 7.941 -10.501 1.00 0.00 C ATOM 1722 OE1 GLU A 109 12.956 8.143 -9.993 1.00 0.00 O ATOM 1723 OE2 GLU A 109 11.479 8.428 -11.595 1.00 0.00 O ATOM 0 H GLU A 109 11.734 5.908 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 109 9.241 6.719 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.058 8.047 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.130 6.678 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.905 6.046 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.838 7.420 -9.933 1.00 0.00 H new ATOM 1730 N HIS A 110 10.674 4.006 -8.492 1.00 0.00 N ATOM 1731 CA HIS A 110 10.423 2.805 -9.281 1.00 0.00 C ATOM 1732 C HIS A 110 9.107 2.151 -8.870 1.00 0.00 C ATOM 1733 O HIS A 110 8.224 1.937 -9.700 1.00 0.00 O ATOM 1734 CB HIS A 110 11.573 1.812 -9.117 1.00 0.00 C ATOM 1735 CG HIS A 110 11.528 0.677 -10.093 1.00 0.00 C ATOM 1736 ND1 HIS A 110 11.598 0.855 -11.458 1.00 0.00 N ATOM 1737 CD2 HIS A 110 11.421 -0.658 -9.894 1.00 0.00 C ATOM 1738 CE1 HIS A 110 11.534 -0.321 -12.057 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.427 -1.255 -11.130 1.00 0.00 N ATOM 0 H HIS A 110 11.609 4.058 -8.088 1.00 0.00 H new ATOM 0 HA HIS A 110 10.352 3.096 -10.329 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.519 2.342 -9.232 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.554 1.410 -8.104 1.00 0.00 H new ATOM 0 HD2 HIS A 110 11.345 -1.160 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 110 11.564 -0.490 -13.123 1.00 0.00 H new ATOM 0 HE2 HIS A 110 11.360 -2.258 -11.304 1.00 0.00 H new ATOM 1747 N ILE A 111 8.985 1.835 -7.585 1.00 0.00 N ATOM 1748 CA ILE A 111 7.778 1.205 -7.065 1.00 0.00 C ATOM 1749 C ILE A 111 6.561 2.103 -7.262 1.00 0.00 C ATOM 1750 O ILE A 111 5.528 1.664 -7.767 1.00 0.00 O ATOM 1751 CB ILE A 111 7.918 0.869 -5.569 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.057 -0.130 -5.352 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.609 0.315 -5.026 1.00 0.00 C ATOM 1754 CD1 ILE A 111 8.883 -1.420 -6.122 1.00 0.00 C ATOM 0 H ILE A 111 9.707 2.005 -6.885 1.00 0.00 H new ATOM 0 HA ILE A 111 7.638 0.280 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 111 8.155 1.784 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 111 9.998 0.335 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.132 -0.358 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.724 0.082 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 111 5.820 1.057 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.344 -0.592 -5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.726 -2.080 -5.921 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.959 -1.907 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.838 -1.203 -7.189 1.00 0.00 H new ATOM 1766 N TYR A 112 6.692 3.362 -6.860 1.00 0.00 N ATOM 1767 CA TYR A 112 5.603 4.323 -6.991 1.00 0.00 C ATOM 1768 C TYR A 112 4.923 4.193 -8.351 1.00 0.00 C ATOM 1769 O TYR A 112 3.739 3.866 -8.438 1.00 0.00 O ATOM 1770 CB TYR A 112 6.126 5.748 -6.805 1.00 0.00 C ATOM 1771 CG TYR A 112 5.170 6.813 -7.291 1.00 0.00 C ATOM 1772 CD1 TYR A 112 4.104 7.229 -6.504 1.00 0.00 C ATOM 1773 CD2 TYR A 112 5.332 7.403 -8.539 1.00 0.00 C ATOM 1774 CE1 TYR A 112 3.227 8.202 -6.944 1.00 0.00 C ATOM 1775 CE2 TYR A 112 4.461 8.377 -8.987 1.00 0.00 C ATOM 1776 CZ TYR A 112 3.410 8.773 -8.187 1.00 0.00 C ATOM 1777 OH TYR A 112 2.540 9.742 -8.630 1.00 0.00 O ATOM 0 H TYR A 112 7.541 3.741 -6.441 1.00 0.00 H new ATOM 0 HA TYR A 112 4.868 4.109 -6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.335 5.914 -5.748 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.072 5.851 -7.337 1.00 0.00 H new ATOM 0 HD1 TYR A 112 3.958 6.784 -5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.153 7.095 -9.169 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.403 8.514 -6.319 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.602 8.826 -9.959 1.00 0.00 H new ATOM 0 HH TYR A 112 2.810 10.041 -9.523 1.00 0.00 H new ATOM 1787 N LYS A 113 5.681 4.452 -9.411 1.00 0.00 N ATOM 1788 CA LYS A 113 5.155 4.364 -10.768 1.00 0.00 C ATOM 1789 C LYS A 113 4.434 3.037 -10.987 1.00 0.00 C ATOM 1790 O LYS A 113 3.393 2.986 -11.643 1.00 0.00 O ATOM 1791 CB LYS A 113 6.287 4.515 -11.787 1.00 0.00 C ATOM 1792 CG LYS A 113 7.131 5.761 -11.579 1.00 0.00 C ATOM 1793 CD LYS A 113 8.377 5.742 -12.448 1.00 0.00 C ATOM 1794 CE LYS A 113 9.339 4.645 -12.019 1.00 0.00 C ATOM 1795 NZ LYS A 113 10.546 4.595 -12.890 1.00 0.00 N ATOM 0 H LYS A 113 6.662 4.725 -9.356 1.00 0.00 H new ATOM 0 HA LYS A 113 4.439 5.174 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.931 3.637 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.861 4.538 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.538 6.646 -11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.419 5.836 -10.530 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.093 5.592 -13.490 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.877 6.709 -12.390 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.643 4.812 -10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.829 3.682 -12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.177 3.835 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.258 4.410 -13.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.047 5.505 -12.842 1.00 0.00 H new ATOM 1809 N LEU A 114 4.992 1.967 -10.432 1.00 0.00 N ATOM 1810 CA LEU A 114 4.401 0.640 -10.565 1.00 0.00 C ATOM 1811 C LEU A 114 3.024 0.589 -9.910 1.00 0.00 C ATOM 1812 O LEU A 114 2.010 0.423 -10.588 1.00 0.00 O ATOM 1813 CB LEU A 114 5.316 -0.412 -9.937 1.00 0.00 C ATOM 1814 CG LEU A 114 4.643 -1.715 -9.504 1.00 0.00 C ATOM 1815 CD1 LEU A 114 4.729 -2.754 -10.611 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.275 -2.243 -8.224 1.00 0.00 C ATOM 0 H LEU A 114 5.853 1.992 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 114 4.286 0.425 -11.627 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.103 -0.653 -10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.800 0.030 -9.066 1.00 0.00 H new ATOM 0 HG LEU A 114 3.591 -1.510 -9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.245 -3.674 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.229 -2.377 -11.503 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.775 -2.956 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.783 -3.171 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.335 -2.432 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.160 -1.505 -7.430 1.00 0.00 H new ATOM 1828 N MET A 115 2.997 0.735 -8.590 1.00 0.00 N ATOM 1829 CA MET A 115 1.744 0.710 -7.844 1.00 0.00 C ATOM 1830 C MET A 115 0.645 1.446 -8.603 1.00 0.00 C ATOM 1831 O MET A 115 -0.483 0.963 -8.709 1.00 0.00 O ATOM 1832 CB MET A 115 1.934 1.337 -6.462 1.00 0.00 C ATOM 1833 CG MET A 115 2.806 0.507 -5.533 1.00 0.00 C ATOM 1834 SD MET A 115 2.802 1.128 -3.840 1.00 0.00 S ATOM 1835 CE MET A 115 3.523 2.751 -4.073 1.00 0.00 C ATOM 0 H MET A 115 3.828 0.872 -8.015 1.00 0.00 H new ATOM 0 HA MET A 115 1.443 -0.331 -7.723 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.379 2.325 -6.578 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.957 1.480 -5.999 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.456 -0.525 -5.538 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.828 0.499 -5.911 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.982 3.480 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 115 4.569 2.732 -3.767 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.458 3.031 -5.125 1.00 0.00 H new ATOM 1845 N LYS A 116 0.979 2.620 -9.129 1.00 0.00 N ATOM 1846 CA LYS A 116 0.022 3.424 -9.879 1.00 0.00 C ATOM 1847 C LYS A 116 -0.954 2.535 -10.643 1.00 0.00 C ATOM 1848 O LYS A 116 -2.136 2.463 -10.307 1.00 0.00 O ATOM 1849 CB LYS A 116 0.754 4.350 -10.853 1.00 0.00 C ATOM 1850 CG LYS A 116 1.545 5.450 -10.167 1.00 0.00 C ATOM 1851 CD LYS A 116 2.348 6.266 -11.166 1.00 0.00 C ATOM 1852 CE LYS A 116 1.473 7.276 -11.893 1.00 0.00 C ATOM 1853 NZ LYS A 116 0.946 6.732 -13.175 1.00 0.00 N ATOM 0 H LYS A 116 1.907 3.036 -9.049 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.543 4.028 -9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.431 3.756 -11.467 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.027 4.803 -11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 116 0.863 6.105 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.218 5.010 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 116 3.153 6.787 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.814 5.599 -11.891 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.640 7.564 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.049 8.180 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.391 7.230 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.162 5.717 -13.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.084 6.869 -13.213 1.00 0.00 H new ATOM 1867 N SER A 117 -0.452 1.860 -11.672 1.00 0.00 N ATOM 1868 CA SER A 117 -1.281 0.977 -12.485 1.00 0.00 C ATOM 1869 C SER A 117 -0.938 -0.486 -12.221 1.00 0.00 C ATOM 1870 O SER A 117 -1.256 -1.364 -13.023 1.00 0.00 O ATOM 1871 CB SER A 117 -1.097 1.296 -13.970 1.00 0.00 C ATOM 1872 OG SER A 117 -2.091 0.660 -14.755 1.00 0.00 O ATOM 0 H SER A 117 0.525 1.907 -11.963 1.00 0.00 H new ATOM 0 HA SER A 117 -2.323 1.143 -12.211 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.144 2.374 -14.122 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.109 0.971 -14.295 1.00 0.00 H new ATOM 0 HG SER A 117 -2.165 -0.281 -14.490 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.288 -0.740 -11.090 1.00 0.00 N ATOM 1879 CA ASP A 118 0.098 -2.096 -10.718 1.00 0.00 C ATOM 1880 C ASP A 118 -0.908 -2.698 -9.742 1.00 0.00 C ATOM 1881 O ASP A 118 -1.666 -3.601 -10.095 1.00 0.00 O ATOM 1882 CB ASP A 118 1.495 -2.099 -10.096 1.00 0.00 C ATOM 1883 CG ASP A 118 1.812 -3.403 -9.392 1.00 0.00 C ATOM 1884 OD1 ASP A 118 1.255 -4.446 -9.795 1.00 0.00 O ATOM 1885 OD2 ASP A 118 2.617 -3.382 -8.437 1.00 0.00 O ATOM 0 H ASP A 118 -0.018 -0.024 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 118 0.110 -2.705 -11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 118 2.237 -1.920 -10.875 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.575 -1.277 -9.385 1.00 0.00 H new ATOM 1890 N SER A 119 -0.908 -2.193 -8.513 1.00 0.00 N ATOM 1891 CA SER A 119 -1.817 -2.684 -7.484 1.00 0.00 C ATOM 1892 C SER A 119 -3.105 -1.867 -7.462 1.00 0.00 C ATOM 1893 O SER A 119 -4.204 -2.416 -7.543 1.00 0.00 O ATOM 1894 CB SER A 119 -1.144 -2.633 -6.112 1.00 0.00 C ATOM 1895 OG SER A 119 -1.642 -3.652 -5.261 1.00 0.00 O ATOM 0 H SER A 119 -0.288 -1.444 -8.205 1.00 0.00 H new ATOM 0 HA SER A 119 -2.067 -3.718 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.066 -2.746 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.315 -1.658 -5.656 1.00 0.00 H new ATOM 0 HG SER A 119 -2.166 -4.291 -5.788 1.00 0.00 H new ATOM 1901 N TYR A 120 -2.961 -0.551 -7.351 1.00 0.00 N ATOM 1902 CA TYR A 120 -4.112 0.344 -7.315 1.00 0.00 C ATOM 1903 C TYR A 120 -5.255 -0.204 -8.164 1.00 0.00 C ATOM 1904 O TYR A 120 -6.402 -0.293 -7.726 1.00 0.00 O ATOM 1905 CB TYR A 120 -3.717 1.737 -7.808 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.870 2.521 -8.394 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -5.239 2.361 -9.724 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -5.588 3.422 -7.618 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -6.291 3.076 -10.263 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -6.643 4.140 -8.149 1.00 0.00 C ATOM 1911 CZ TYR A 120 -6.990 3.963 -9.472 1.00 0.00 C ATOM 1912 OH TYR A 120 -8.039 4.678 -10.005 1.00 0.00 O ATOM 0 H TYR A 120 -2.059 -0.080 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.453 0.415 -6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.291 2.300 -6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -2.935 1.639 -8.561 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -4.695 1.666 -10.346 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.317 3.564 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -6.565 2.941 -11.299 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -7.192 4.835 -7.532 1.00 0.00 H new ATOM 0 HH TYR A 120 -8.871 4.173 -9.891 1.00 0.00 H new ATOM 1922 N PRO A 121 -4.935 -0.582 -9.411 1.00 0.00 N ATOM 1923 CA PRO A 121 -5.920 -1.129 -10.349 1.00 0.00 C ATOM 1924 C PRO A 121 -6.775 -2.222 -9.720 1.00 0.00 C ATOM 1925 O PRO A 121 -7.999 -2.104 -9.650 1.00 0.00 O ATOM 1926 CB PRO A 121 -5.056 -1.706 -11.473 1.00 0.00 C ATOM 1927 CG PRO A 121 -3.794 -0.915 -11.426 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.588 -0.504 -10.001 1.00 0.00 C ATOM 0 HA PRO A 121 -6.629 -0.372 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.864 -2.768 -11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.548 -1.608 -12.441 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -2.953 -1.510 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.862 -0.041 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -2.890 -1.167 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.179 0.504 -9.931 1.00 0.00 H new ATOM 1936 N ARG A 122 -6.124 -3.286 -9.261 1.00 0.00 N ATOM 1937 CA ARG A 122 -6.826 -4.402 -8.637 1.00 0.00 C ATOM 1938 C ARG A 122 -7.836 -3.901 -7.609 1.00 0.00 C ATOM 1939 O ARG A 122 -9.011 -4.268 -7.647 1.00 0.00 O ATOM 1940 CB ARG A 122 -5.829 -5.350 -7.969 1.00 0.00 C ATOM 1941 CG ARG A 122 -5.121 -6.275 -8.946 1.00 0.00 C ATOM 1942 CD ARG A 122 -6.047 -7.373 -9.445 1.00 0.00 C ATOM 1943 NE ARG A 122 -5.312 -8.451 -10.102 1.00 0.00 N ATOM 1944 CZ ARG A 122 -4.740 -8.330 -11.294 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -4.815 -7.183 -11.956 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -4.089 -9.356 -11.827 1.00 0.00 N ATOM 0 H ARG A 122 -5.111 -3.399 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.364 -4.942 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.084 -4.762 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -6.354 -5.952 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.751 -5.697 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.253 -6.722 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -6.613 -7.779 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -6.769 -6.949 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 122 -5.234 -9.346 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.313 -6.391 -11.549 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -4.375 -7.093 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.027 -10.239 -11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.650 -9.261 -12.743 1.00 0.00 H new ATOM 1960 N PHE A 123 -7.370 -3.062 -6.689 1.00 0.00 N ATOM 1961 CA PHE A 123 -8.232 -2.513 -5.649 1.00 0.00 C ATOM 1962 C PHE A 123 -9.639 -2.265 -6.183 1.00 0.00 C ATOM 1963 O PHE A 123 -10.629 -2.636 -5.552 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.643 -1.209 -5.106 1.00 0.00 C ATOM 1965 CG PHE A 123 -8.197 -0.814 -3.766 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.303 -1.743 -2.744 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.612 0.487 -3.530 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -8.811 -1.382 -1.510 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -9.121 0.854 -2.299 1.00 0.00 C ATOM 1970 CZ PHE A 123 -9.222 -0.082 -1.288 1.00 0.00 C ATOM 0 H PHE A 123 -6.401 -2.748 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 123 -8.293 -3.241 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.561 -1.314 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -7.834 -0.408 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.985 -2.761 -2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.537 1.222 -4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.886 -2.115 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.440 1.872 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.622 0.202 -0.326 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.720 -1.634 -7.350 1.00 0.00 N ATOM 1981 CA ILE A 124 -11.005 -1.337 -7.970 1.00 0.00 C ATOM 1982 C ILE A 124 -11.708 -2.614 -8.418 1.00 0.00 C ATOM 1983 O ILE A 124 -12.881 -2.829 -8.111 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.843 -0.401 -9.182 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -10.269 0.947 -8.740 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -12.178 -0.209 -9.886 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -8.758 0.966 -8.667 1.00 0.00 C ATOM 0 H ILE A 124 -8.911 -1.319 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 124 -11.611 -0.837 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 124 -10.147 -0.859 -9.885 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -10.601 1.719 -9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -10.675 1.202 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -12.047 0.455 -10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -12.550 -1.174 -10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -12.895 0.230 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -8.422 1.952 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -8.419 0.217 -7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -8.343 0.742 -9.650 1.00 0.00 H new ATOM 1999 N ARG A 125 -10.983 -3.458 -9.144 1.00 0.00 N ATOM 2000 CA ARG A 125 -11.537 -4.715 -9.634 1.00 0.00 C ATOM 2001 C ARG A 125 -12.248 -5.468 -8.514 1.00 0.00 C ATOM 2002 O ARG A 125 -13.334 -6.014 -8.712 1.00 0.00 O ATOM 2003 CB ARG A 125 -10.429 -5.588 -10.227 1.00 0.00 C ATOM 2004 CG ARG A 125 -10.126 -5.280 -11.684 1.00 0.00 C ATOM 2005 CD ARG A 125 -8.646 -5.448 -11.992 1.00 0.00 C ATOM 2006 NE ARG A 125 -8.420 -5.894 -13.364 1.00 0.00 N ATOM 2007 CZ ARG A 125 -8.574 -7.152 -13.762 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -8.953 -8.083 -12.898 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -8.349 -7.481 -15.028 1.00 0.00 N ATOM 0 H ARG A 125 -10.011 -3.295 -9.406 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.264 -4.484 -10.412 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -9.520 -5.456 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -10.716 -6.636 -10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -10.710 -5.940 -12.326 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -10.433 -4.260 -11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.132 -4.501 -11.829 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.211 -6.169 -11.300 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.128 -5.202 -14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -9.127 -7.834 -11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -9.070 -9.048 -13.207 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.058 -6.768 -15.696 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.467 -8.447 -15.333 1.00 0.00 H new ATOM 2023 N SER A 126 -11.629 -5.494 -7.338 1.00 0.00 N ATOM 2024 CA SER A 126 -12.201 -6.184 -6.188 1.00 0.00 C ATOM 2025 C SER A 126 -13.379 -5.401 -5.615 1.00 0.00 C ATOM 2026 O SER A 126 -13.473 -4.186 -5.786 1.00 0.00 O ATOM 2027 CB SER A 126 -11.137 -6.389 -5.108 1.00 0.00 C ATOM 2028 OG SER A 126 -10.242 -5.292 -5.060 1.00 0.00 O ATOM 0 H SER A 126 -10.731 -5.045 -7.157 1.00 0.00 H new ATOM 0 HA SER A 126 -12.562 -7.157 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.618 -6.513 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.583 -7.306 -5.308 1.00 0.00 H new ATOM 0 HG SER A 126 -10.726 -4.466 -5.268 1.00 0.00 H new ATOM 2034 N SER A 127 -14.275 -6.107 -4.933 1.00 0.00 N ATOM 2035 CA SER A 127 -15.449 -5.480 -4.337 1.00 0.00 C ATOM 2036 C SER A 127 -15.093 -4.806 -3.016 1.00 0.00 C ATOM 2037 O SER A 127 -15.707 -3.812 -2.629 1.00 0.00 O ATOM 2038 CB SER A 127 -16.549 -6.519 -4.112 1.00 0.00 C ATOM 2039 OG SER A 127 -17.253 -6.786 -5.313 1.00 0.00 O ATOM 0 H SER A 127 -14.210 -7.113 -4.779 1.00 0.00 H new ATOM 0 HA SER A 127 -15.813 -4.719 -5.027 1.00 0.00 H new ATOM 0 HB2 SER A 127 -16.110 -7.441 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.243 -6.159 -3.352 1.00 0.00 H new ATOM 0 HG SER A 127 -17.949 -7.454 -5.142 1.00 0.00 H new ATOM 2045 N ALA A 128 -14.097 -5.354 -2.328 1.00 0.00 N ATOM 2046 CA ALA A 128 -13.657 -4.805 -1.052 1.00 0.00 C ATOM 2047 C ALA A 128 -13.735 -3.282 -1.053 1.00 0.00 C ATOM 2048 O ALA A 128 -14.203 -2.675 -0.089 1.00 0.00 O ATOM 2049 CB ALA A 128 -12.239 -5.263 -0.741 1.00 0.00 C ATOM 0 H ALA A 128 -13.579 -6.178 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 128 -14.326 -5.176 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.923 -4.845 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -12.211 -6.351 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.566 -4.921 -1.527 1.00 0.00 H new ATOM 2055 N TYR A 129 -13.274 -2.672 -2.138 1.00 0.00 N ATOM 2056 CA TYR A 129 -13.289 -1.219 -2.263 1.00 0.00 C ATOM 2057 C TYR A 129 -14.699 -0.711 -2.544 1.00 0.00 C ATOM 2058 O TYR A 129 -15.156 0.255 -1.933 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.341 -0.772 -3.377 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.677 0.587 -3.948 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -13.553 0.716 -5.018 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -12.117 1.743 -3.418 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -13.863 1.956 -5.543 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -12.421 2.987 -3.935 1.00 0.00 C ATOM 2065 CZ TYR A 129 -13.294 3.088 -4.998 1.00 0.00 C ATOM 2066 OH TYR A 129 -13.599 4.325 -5.518 1.00 0.00 O ATOM 0 H TYR A 129 -12.885 -3.161 -2.944 1.00 0.00 H new ATOM 0 HA TYR A 129 -12.952 -0.795 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.322 -0.752 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.363 -1.510 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -14.000 -0.169 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.432 1.667 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -14.547 2.038 -6.375 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -11.978 3.875 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 129 -13.798 4.238 -6.474 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.384 -1.370 -3.473 1.00 0.00 N ATOM 2077 CA GLN A 130 -16.743 -0.985 -3.837 1.00 0.00 C ATOM 2078 C GLN A 130 -17.643 -0.942 -2.607 1.00 0.00 C ATOM 2079 O GLN A 130 -18.368 0.029 -2.391 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.313 -1.961 -4.867 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.508 -2.025 -6.155 1.00 0.00 C ATOM 2082 CD GLN A 130 -16.952 -0.992 -7.172 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -17.981 -0.338 -7.002 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.175 -0.838 -8.238 1.00 0.00 N ATOM 0 H GLN A 130 -15.021 -2.173 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 130 -16.707 0.013 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.357 -2.957 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.337 -1.671 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.453 -1.875 -5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -16.602 -3.020 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.331 -1.401 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.423 -0.157 -8.955 1.00 0.00 H new ATOM 2093 N GLU A 131 -17.592 -2.000 -1.804 1.00 0.00 N ATOM 2094 CA GLU A 131 -18.405 -2.083 -0.597 1.00 0.00 C ATOM 2095 C GLU A 131 -18.449 -0.737 0.123 1.00 0.00 C ATOM 2096 O GLU A 131 -19.518 -0.257 0.501 1.00 0.00 O ATOM 2097 CB GLU A 131 -17.855 -3.158 0.343 1.00 0.00 C ATOM 2098 CG GLU A 131 -17.782 -4.538 -0.289 1.00 0.00 C ATOM 2099 CD GLU A 131 -19.108 -5.272 -0.242 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -19.955 -5.023 -1.125 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -19.298 -6.096 0.678 1.00 0.00 O ATOM 0 H GLU A 131 -16.996 -2.811 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.419 -2.352 -0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.858 -2.865 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.483 -3.207 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.461 -4.442 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.025 -5.130 0.226 1.00 0.00 H new ATOM 2108 N LEU A 132 -17.279 -0.135 0.309 1.00 0.00 N ATOM 2109 CA LEU A 132 -17.182 1.155 0.983 1.00 0.00 C ATOM 2110 C LEU A 132 -18.082 2.189 0.314 1.00 0.00 C ATOM 2111 O LEU A 132 -18.817 2.915 0.984 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.733 1.646 0.981 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.873 1.205 2.165 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -14.547 -0.277 2.065 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -13.597 2.031 2.235 1.00 0.00 C ATOM 0 H LEU A 132 -16.385 -0.519 0.003 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.514 1.024 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.256 1.303 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.740 2.735 0.949 1.00 0.00 H new ATOM 0 HG LEU A 132 -15.439 1.370 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -13.934 -0.573 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -15.472 -0.854 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -14.001 -0.468 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -12.997 1.703 3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -13.027 1.899 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -13.851 3.084 2.356 1.00 0.00 H new ATOM 2127 N LEU A 133 -18.022 2.248 -1.012 1.00 0.00 N ATOM 2128 CA LEU A 133 -18.834 3.191 -1.774 1.00 0.00 C ATOM 2129 C LEU A 133 -20.320 2.941 -1.542 1.00 0.00 C ATOM 2130 O LEU A 133 -21.031 3.801 -1.022 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.513 3.082 -3.265 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.284 3.855 -3.745 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -16.740 3.248 -5.030 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -17.623 5.324 -3.949 1.00 0.00 C ATOM 0 H LEU A 133 -17.420 1.654 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.596 4.198 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -18.374 2.029 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.379 3.429 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.512 3.784 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -15.866 3.811 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -16.458 2.211 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -17.507 3.287 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -16.736 5.858 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.412 5.415 -4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -17.964 5.753 -3.007 1.00 0.00 H new