USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 HIS : no HD1:sc= -3.55! C(o=-3.6!,f=-3.9!) USER MOD Single : A 10 HIS : no HD1:sc= -2.25 K(o=-2.3,f=-3.2!) USER MOD Single : A 12 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.512 K(o=0.51,f=-0.53) USER MOD Single : A 23 THR OG1 : rot 77:sc=0.000796 USER MOD Single : A 24 HIS : no HE2:sc= -3.33 K(o=-3.3,f=-6.1!) USER MOD Single : A 27 ASN : amide:sc= -0.447 K(o=-0.45,f=-2!) USER MOD Single : A 28 THR OG1 : rot -100:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.675 X(o=-0.68,f=-0.33) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.355 X(o=-0.35,f=-0.58) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.0228 (180deg=-0.371) USER MOD Single : A 38 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 40 TYR OH : rot 107:sc= 0.0528 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 95:sc= -2.52 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.68) USER MOD Single : A 68 SER OG : rot 83:sc= 0.0549 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= -0.687 (180deg=-1.33) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0564 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 83 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.0038) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -7.744 11.409 9.555 1.00 0.00 N ATOM 69 CA HIS A 8 -7.089 10.679 8.476 1.00 0.00 C ATOM 70 C HIS A 8 -8.084 9.786 7.736 1.00 0.00 C ATOM 71 O HIS A 8 -8.325 8.648 8.138 1.00 0.00 O ATOM 72 CB HIS A 8 -5.943 9.831 9.031 1.00 0.00 C ATOM 73 CG HIS A 8 -4.980 10.604 9.878 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.486 10.157 11.083 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.417 11.822 9.671 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.658 11.095 11.561 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.581 12.126 10.743 1.00 0.00 N ATOM 0 HA HIS A 8 -6.688 11.407 7.770 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.359 9.015 9.622 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.401 9.379 8.200 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.590 12.454 8.813 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.123 11.017 12.496 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.024 12.971 10.869 1.00 0.00 H new ATOM 85 N PRO A 9 -8.678 10.292 6.641 1.00 0.00 N ATOM 86 CA PRO A 9 -9.650 9.532 5.847 1.00 0.00 C ATOM 87 C PRO A 9 -9.006 8.384 5.075 1.00 0.00 C ATOM 88 O PRO A 9 -9.690 7.462 4.634 1.00 0.00 O ATOM 89 CB PRO A 9 -10.214 10.576 4.880 1.00 0.00 C ATOM 90 CG PRO A 9 -9.133 11.592 4.751 1.00 0.00 C ATOM 91 CD PRO A 9 -8.450 11.642 6.089 1.00 0.00 C ATOM 0 HA PRO A 9 -10.405 9.060 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.457 10.132 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.131 11.020 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.431 11.317 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.543 12.566 4.485 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.387 11.861 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.876 12.415 6.729 1.00 0.00 H new ATOM 99 N HIS A 10 -7.688 8.448 4.911 1.00 0.00 N ATOM 100 CA HIS A 10 -6.959 7.411 4.188 1.00 0.00 C ATOM 101 C HIS A 10 -6.292 6.436 5.154 1.00 0.00 C ATOM 102 O HIS A 10 -6.204 5.239 4.879 1.00 0.00 O ATOM 103 CB HIS A 10 -5.908 8.042 3.273 1.00 0.00 C ATOM 104 CG HIS A 10 -6.489 8.702 2.060 1.00 0.00 C ATOM 105 ND1 HIS A 10 -6.874 10.023 2.017 1.00 0.00 N ATOM 106 CD2 HIS A 10 -6.747 8.195 0.829 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.346 10.272 0.787 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.289 9.195 0.027 1.00 0.00 N ATOM 0 H HIS A 10 -7.104 9.205 5.268 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.674 6.856 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.339 8.779 3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.205 7.272 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.561 7.177 0.520 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.724 11.230 0.461 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.582 9.112 -0.947 1.00 0.00 H new ATOM 116 N ILE A 11 -5.822 6.956 6.283 1.00 0.00 N ATOM 117 CA ILE A 11 -5.162 6.128 7.286 1.00 0.00 C ATOM 118 C ILE A 11 -6.176 5.327 8.095 1.00 0.00 C ATOM 119 O ILE A 11 -5.894 4.213 8.533 1.00 0.00 O ATOM 120 CB ILE A 11 -4.316 6.981 8.251 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.442 7.964 7.468 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.456 6.088 9.133 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.626 8.882 8.352 1.00 0.00 C ATOM 0 H ILE A 11 -5.886 7.945 6.526 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.508 5.443 6.746 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.989 7.552 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.768 7.403 6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.078 8.567 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.864 6.705 9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.097 5.425 9.714 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.790 5.493 8.508 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.031 9.551 7.731 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.294 9.470 8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.964 8.287 8.982 1.00 0.00 H new ATOM 135 N GLN A 12 -7.358 5.902 8.289 1.00 0.00 N ATOM 136 CA GLN A 12 -8.415 5.241 9.046 1.00 0.00 C ATOM 137 C GLN A 12 -8.952 4.029 8.292 1.00 0.00 C ATOM 138 O GLN A 12 -9.300 3.015 8.895 1.00 0.00 O ATOM 139 CB GLN A 12 -9.553 6.221 9.336 1.00 0.00 C ATOM 140 CG GLN A 12 -9.331 7.061 10.583 1.00 0.00 C ATOM 141 CD GLN A 12 -10.057 6.509 11.795 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.943 7.158 12.351 1.00 0.00 O ATOM 143 NE2 GLN A 12 -9.684 5.304 12.210 1.00 0.00 N ATOM 0 H GLN A 12 -7.608 6.824 7.933 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.990 4.898 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.678 6.884 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.483 5.663 9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.263 7.113 10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.669 8.080 10.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.945 4.802 11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.137 4.881 13.020 1.00 0.00 H new ATOM 152 N LEU A 13 -9.018 4.143 6.970 1.00 0.00 N ATOM 153 CA LEU A 13 -9.514 3.056 6.134 1.00 0.00 C ATOM 154 C LEU A 13 -8.657 1.805 6.298 1.00 0.00 C ATOM 155 O LEU A 13 -9.152 0.683 6.196 1.00 0.00 O ATOM 156 CB LEU A 13 -9.535 3.484 4.664 1.00 0.00 C ATOM 157 CG LEU A 13 -10.575 4.551 4.317 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.375 5.046 2.892 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.982 4.004 4.501 1.00 0.00 C ATOM 0 H LEU A 13 -8.735 4.976 6.455 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.530 2.822 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.547 3.860 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.719 2.604 4.047 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.444 5.394 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.123 5.804 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.379 5.477 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.479 4.211 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.709 4.777 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.126 3.144 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.121 3.699 5.538 1.00 0.00 H new ATOM 171 N LEU A 14 -7.369 2.007 6.555 1.00 0.00 N ATOM 172 CA LEU A 14 -6.442 0.895 6.734 1.00 0.00 C ATOM 173 C LEU A 14 -6.664 0.214 8.081 1.00 0.00 C ATOM 174 O LEU A 14 -6.752 -1.012 8.161 1.00 0.00 O ATOM 175 CB LEU A 14 -4.997 1.386 6.628 1.00 0.00 C ATOM 176 CG LEU A 14 -4.627 2.028 5.290 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.352 2.844 5.424 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.472 0.963 4.215 1.00 0.00 C ATOM 0 H LEU A 14 -6.943 2.930 6.644 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.629 0.167 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.816 2.110 7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.329 0.543 6.806 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.433 2.700 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.105 3.293 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.499 3.630 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.536 2.195 5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.209 1.436 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.685 0.266 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.411 0.422 4.101 1.00 0.00 H new ATOM 190 N LYS A 15 -6.753 1.016 9.137 1.00 0.00 N ATOM 191 CA LYS A 15 -6.964 0.490 10.480 1.00 0.00 C ATOM 192 C LYS A 15 -8.306 -0.229 10.580 1.00 0.00 C ATOM 193 O LYS A 15 -8.377 -1.371 11.034 1.00 0.00 O ATOM 194 CB LYS A 15 -6.901 1.620 11.509 1.00 0.00 C ATOM 195 CG LYS A 15 -5.616 2.430 11.446 1.00 0.00 C ATOM 196 CD LYS A 15 -5.660 3.620 12.391 1.00 0.00 C ATOM 197 CE LYS A 15 -4.309 4.311 12.479 1.00 0.00 C ATOM 198 NZ LYS A 15 -4.445 5.794 12.515 1.00 0.00 N ATOM 0 H LYS A 15 -6.682 2.032 9.088 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.171 -0.228 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.749 2.287 11.356 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.005 1.197 12.508 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.770 1.792 11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.455 2.780 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.412 4.331 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.965 3.287 13.383 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.786 3.973 13.373 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.698 4.023 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.502 6.228 12.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.922 6.120 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.007 6.071 13.345 1.00 0.00 H new ATOM 212 N SER A 16 -9.367 0.447 10.152 1.00 0.00 N ATOM 213 CA SER A 16 -10.707 -0.128 10.194 1.00 0.00 C ATOM 214 C SER A 16 -10.805 -1.345 9.281 1.00 0.00 C ATOM 215 O SER A 16 -11.465 -2.330 9.611 1.00 0.00 O ATOM 216 CB SER A 16 -11.746 0.918 9.785 1.00 0.00 C ATOM 217 OG SER A 16 -12.260 1.596 10.917 1.00 0.00 O ATOM 0 H SER A 16 -9.325 1.393 9.772 1.00 0.00 H new ATOM 0 HA SER A 16 -10.907 -0.447 11.217 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.294 1.636 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.561 0.434 9.246 1.00 0.00 H new ATOM 0 HG SER A 16 -12.920 2.260 10.629 1.00 0.00 H new ATOM 223 N ASN A 17 -10.143 -1.271 8.130 1.00 0.00 N ATOM 224 CA ASN A 17 -10.155 -2.367 7.168 1.00 0.00 C ATOM 225 C ASN A 17 -8.765 -2.978 7.022 1.00 0.00 C ATOM 226 O ASN A 17 -8.229 -3.076 5.918 1.00 0.00 O ATOM 227 CB ASN A 17 -10.655 -1.873 5.807 1.00 0.00 C ATOM 228 CG ASN A 17 -11.921 -1.047 5.921 1.00 0.00 C ATOM 229 OD1 ASN A 17 -13.004 -1.579 6.167 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.791 0.262 5.741 1.00 0.00 N ATOM 0 H ASN A 17 -9.592 -0.463 7.841 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.832 -3.136 7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.877 -1.276 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.840 -2.729 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.608 0.869 5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.874 0.660 5.539 1.00 0.00 H new ATOM 237 N ARG A 18 -8.186 -3.389 8.146 1.00 0.00 N ATOM 238 CA ARG A 18 -6.857 -3.991 8.145 1.00 0.00 C ATOM 239 C ARG A 18 -6.943 -5.497 7.925 1.00 0.00 C ATOM 240 O ARG A 18 -6.267 -6.047 7.055 1.00 0.00 O ATOM 241 CB ARG A 18 -6.139 -3.695 9.463 1.00 0.00 C ATOM 242 CG ARG A 18 -4.714 -4.220 9.510 1.00 0.00 C ATOM 243 CD ARG A 18 -4.181 -4.258 10.933 1.00 0.00 C ATOM 244 NE ARG A 18 -3.438 -3.046 11.273 1.00 0.00 N ATOM 245 CZ ARG A 18 -2.263 -2.723 10.738 1.00 0.00 C ATOM 246 NH1 ARG A 18 -1.694 -3.517 9.839 1.00 0.00 N ATOM 247 NH2 ARG A 18 -1.655 -1.602 11.102 1.00 0.00 N ATOM 0 H ARG A 18 -8.616 -3.316 9.068 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.288 -3.555 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.126 -2.617 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.707 -4.135 10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.680 -5.221 9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.072 -3.588 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.012 -4.381 11.628 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.533 -5.126 11.054 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.844 -2.411 11.960 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.157 -4.380 9.555 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.793 -3.264 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.088 -0.988 11.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.754 -1.354 10.692 1.00 0.00 H new ATOM 261 N GLU A 19 -7.777 -6.160 8.719 1.00 0.00 N ATOM 262 CA GLU A 19 -7.950 -7.604 8.612 1.00 0.00 C ATOM 263 C GLU A 19 -8.641 -7.973 7.303 1.00 0.00 C ATOM 264 O GLU A 19 -8.400 -9.044 6.743 1.00 0.00 O ATOM 265 CB GLU A 19 -8.761 -8.131 9.797 1.00 0.00 C ATOM 266 CG GLU A 19 -7.916 -8.443 11.023 1.00 0.00 C ATOM 267 CD GLU A 19 -7.855 -9.927 11.328 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.884 -10.611 11.155 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.777 -10.403 11.741 1.00 0.00 O ATOM 0 H GLU A 19 -8.344 -5.720 9.444 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.962 -8.065 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.517 -7.393 10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.290 -9.034 9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.905 -8.066 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.324 -7.915 11.885 1.00 0.00 H new ATOM 276 N LEU A 20 -9.501 -7.083 6.821 1.00 0.00 N ATOM 277 CA LEU A 20 -10.226 -7.317 5.577 1.00 0.00 C ATOM 278 C LEU A 20 -9.296 -7.208 4.374 1.00 0.00 C ATOM 279 O LEU A 20 -9.492 -7.882 3.362 1.00 0.00 O ATOM 280 CB LEU A 20 -11.376 -6.318 5.437 1.00 0.00 C ATOM 281 CG LEU A 20 -12.205 -6.461 4.160 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.302 -7.497 4.349 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.800 -5.120 3.759 1.00 0.00 C ATOM 0 H LEU A 20 -9.713 -6.193 7.272 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.632 -8.328 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -12.038 -6.427 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.967 -5.308 5.475 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.548 -6.800 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.882 -7.585 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.854 -8.461 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.958 -7.188 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.387 -5.240 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.443 -4.753 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.997 -4.404 3.582 1.00 0.00 H new ATOM 295 N LEU A 21 -8.282 -6.357 4.491 1.00 0.00 N ATOM 296 CA LEU A 21 -7.321 -6.160 3.412 1.00 0.00 C ATOM 297 C LEU A 21 -6.384 -7.358 3.292 1.00 0.00 C ATOM 298 O LEU A 21 -5.923 -7.692 2.200 1.00 0.00 O ATOM 299 CB LEU A 21 -6.510 -4.886 3.650 1.00 0.00 C ATOM 300 CG LEU A 21 -7.171 -3.597 3.160 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.307 -2.392 3.501 1.00 0.00 C ATOM 302 CD2 LEU A 21 -7.426 -3.665 1.662 1.00 0.00 C ATOM 0 H LEU A 21 -8.105 -5.793 5.322 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.876 -6.061 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.314 -4.792 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.544 -4.991 3.157 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.130 -3.487 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.793 -1.484 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.175 -2.333 4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.334 -2.495 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.897 -2.739 1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.480 -3.799 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.084 -4.506 1.443 1.00 0.00 H new ATOM 314 N VAL A 22 -6.105 -8.000 4.421 1.00 0.00 N ATOM 315 CA VAL A 22 -5.220 -9.159 4.441 1.00 0.00 C ATOM 316 C VAL A 22 -5.846 -10.341 3.706 1.00 0.00 C ATOM 317 O VAL A 22 -5.140 -11.182 3.150 1.00 0.00 O ATOM 318 CB VAL A 22 -4.883 -9.586 5.883 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.845 -10.698 5.884 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.397 -8.394 6.694 1.00 0.00 C ATOM 0 H VAL A 22 -6.478 -7.738 5.333 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.301 -8.863 3.934 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.791 -9.968 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.621 -10.985 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.235 -11.560 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.935 -10.346 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.164 -8.715 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.502 -7.979 6.230 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.176 -7.632 6.724 1.00 0.00 H new ATOM 330 N THR A 23 -7.174 -10.400 3.710 1.00 0.00 N ATOM 331 CA THR A 23 -7.892 -11.481 3.044 1.00 0.00 C ATOM 332 C THR A 23 -8.080 -11.179 1.559 1.00 0.00 C ATOM 333 O THR A 23 -7.795 -12.018 0.705 1.00 0.00 O ATOM 334 CB THR A 23 -9.253 -11.701 3.706 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.106 -11.892 5.102 1.00 0.00 O ATOM 336 CG2 THR A 23 -10.000 -12.897 3.156 1.00 0.00 C ATOM 0 H THR A 23 -7.774 -9.713 4.166 1.00 0.00 H new ATOM 0 HA THR A 23 -7.297 -12.389 3.139 1.00 0.00 H new ATOM 0 HB THR A 23 -9.829 -10.802 3.488 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.948 -11.028 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.957 -12.996 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.173 -12.759 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.409 -13.799 3.314 1.00 0.00 H new ATOM 344 N HIS A 24 -8.561 -9.977 1.261 1.00 0.00 N ATOM 345 CA HIS A 24 -8.787 -9.566 -0.119 1.00 0.00 C ATOM 346 C HIS A 24 -7.487 -9.591 -0.917 1.00 0.00 C ATOM 347 O HIS A 24 -7.406 -10.218 -1.973 1.00 0.00 O ATOM 348 CB HIS A 24 -9.398 -8.164 -0.163 1.00 0.00 C ATOM 349 CG HIS A 24 -10.770 -8.089 0.433 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.576 -9.185 0.644 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.476 -7.015 0.868 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.723 -8.753 1.188 1.00 0.00 C ATOM 353 NE2 HIS A 24 -12.712 -7.443 1.345 1.00 0.00 N ATOM 0 H HIS A 24 -8.802 -9.271 1.956 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.483 -10.273 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.742 -7.474 0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.442 -7.828 -1.199 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -11.342 -10.153 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.134 -5.991 0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.548 -9.394 1.462 1.00 0.00 H new ATOM 361 N ILE A 25 -6.470 -8.906 -0.403 1.00 0.00 N ATOM 362 CA ILE A 25 -5.173 -8.849 -1.067 1.00 0.00 C ATOM 363 C ILE A 25 -4.492 -10.213 -1.056 1.00 0.00 C ATOM 364 O ILE A 25 -4.481 -10.906 -0.039 1.00 0.00 O ATOM 365 CB ILE A 25 -4.244 -7.816 -0.399 1.00 0.00 C ATOM 366 CG1 ILE A 25 -4.949 -6.463 -0.278 1.00 0.00 C ATOM 367 CG2 ILE A 25 -2.949 -7.674 -1.187 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.140 -5.424 0.467 1.00 0.00 C ATOM 0 H ILE A 25 -6.519 -8.383 0.471 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.357 -8.546 -2.098 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.000 -8.169 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.174 -6.089 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.902 -6.603 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.306 -6.941 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.439 -8.636 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.174 -7.343 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.701 -4.491 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.937 -5.777 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.198 -5.255 -0.054 1.00 0.00 H new ATOM 380 N ARG A 26 -3.923 -10.593 -2.197 1.00 0.00 N ATOM 381 CA ARG A 26 -3.237 -11.874 -2.321 1.00 0.00 C ATOM 382 C ARG A 26 -1.747 -11.671 -2.570 1.00 0.00 C ATOM 383 O ARG A 26 -0.911 -12.391 -2.023 1.00 0.00 O ATOM 384 CB ARG A 26 -3.849 -12.696 -3.457 1.00 0.00 C ATOM 385 CG ARG A 26 -3.901 -14.189 -3.167 1.00 0.00 C ATOM 386 CD ARG A 26 -5.331 -14.676 -2.986 1.00 0.00 C ATOM 387 NE ARG A 26 -5.467 -15.557 -1.829 1.00 0.00 N ATOM 388 CZ ARG A 26 -5.546 -15.125 -0.573 1.00 0.00 C ATOM 389 NH1 ARG A 26 -5.504 -13.824 -0.308 1.00 0.00 N ATOM 390 NH2 ARG A 26 -5.667 -15.994 0.421 1.00 0.00 N ATOM 0 H ARG A 26 -3.924 -10.031 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.359 -12.416 -1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.859 -12.336 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.271 -12.531 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.431 -14.735 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.326 -14.405 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.994 -13.819 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.650 -15.205 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.504 -16.563 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.411 -13.151 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.565 -13.498 0.656 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.700 -16.994 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.728 -15.662 1.384 1.00 0.00 H new ATOM 404 N ASN A 27 -1.420 -10.685 -3.400 1.00 0.00 N ATOM 405 CA ASN A 27 -0.029 -10.387 -3.723 1.00 0.00 C ATOM 406 C ASN A 27 0.433 -9.113 -3.022 1.00 0.00 C ATOM 407 O ASN A 27 -0.296 -8.123 -2.970 1.00 0.00 O ATOM 408 CB ASN A 27 0.144 -10.240 -5.237 1.00 0.00 C ATOM 409 CG ASN A 27 1.472 -10.786 -5.723 1.00 0.00 C ATOM 410 OD1 ASN A 27 2.072 -11.651 -5.085 1.00 0.00 O ATOM 411 ND2 ASN A 27 1.939 -10.280 -6.859 1.00 0.00 N ATOM 0 H ASN A 27 -2.099 -10.079 -3.861 1.00 0.00 H new ATOM 0 HA ASN A 27 0.585 -11.216 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.668 -10.761 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.066 -9.187 -5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.829 -10.607 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.408 -9.564 -7.355 1.00 0.00 H new ATOM 418 N THR A 28 1.648 -9.146 -2.485 1.00 0.00 N ATOM 419 CA THR A 28 2.207 -7.993 -1.788 1.00 0.00 C ATOM 420 C THR A 28 3.332 -7.359 -2.601 1.00 0.00 C ATOM 421 O THR A 28 3.509 -6.141 -2.589 1.00 0.00 O ATOM 422 CB THR A 28 2.730 -8.408 -0.411 1.00 0.00 C ATOM 423 OG1 THR A 28 3.444 -9.628 -0.492 1.00 0.00 O ATOM 424 CG2 THR A 28 1.634 -8.585 0.617 1.00 0.00 C ATOM 0 H THR A 28 2.264 -9.958 -2.519 1.00 0.00 H new ATOM 0 HA THR A 28 1.414 -7.256 -1.662 1.00 0.00 H new ATOM 0 HB THR A 28 3.378 -7.592 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.868 -10.364 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.073 -8.879 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.096 -7.645 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.943 -9.358 0.282 1.00 0.00 H new ATOM 432 N GLN A 29 4.089 -8.194 -3.304 1.00 0.00 N ATOM 433 CA GLN A 29 5.198 -7.716 -4.123 1.00 0.00 C ATOM 434 C GLN A 29 4.709 -6.740 -5.189 1.00 0.00 C ATOM 435 O GLN A 29 5.434 -5.829 -5.590 1.00 0.00 O ATOM 436 CB GLN A 29 5.915 -8.894 -4.786 1.00 0.00 C ATOM 437 CG GLN A 29 7.388 -8.635 -5.057 1.00 0.00 C ATOM 438 CD GLN A 29 8.182 -8.405 -3.786 1.00 0.00 C ATOM 439 OE1 GLN A 29 8.666 -9.351 -3.163 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.321 -7.144 -3.394 1.00 0.00 N ATOM 0 H GLN A 29 3.955 -9.205 -3.324 1.00 0.00 H new ATOM 0 HA GLN A 29 5.897 -7.193 -3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.821 -9.772 -4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.417 -9.129 -5.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.809 -9.484 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.487 -7.765 -5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.903 -6.391 -3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.846 -6.928 -2.546 1.00 0.00 H new ATOM 449 N CYS A 30 3.475 -6.936 -5.643 1.00 0.00 N ATOM 450 CA CYS A 30 2.890 -6.074 -6.663 1.00 0.00 C ATOM 451 C CYS A 30 2.839 -4.625 -6.187 1.00 0.00 C ATOM 452 O CYS A 30 3.259 -3.712 -6.898 1.00 0.00 O ATOM 453 CB CYS A 30 1.483 -6.554 -7.021 1.00 0.00 C ATOM 454 SG CYS A 30 0.979 -6.164 -8.714 1.00 0.00 S ATOM 0 H CYS A 30 2.861 -7.684 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 30 3.521 -6.125 -7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.431 -7.633 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.770 -6.106 -6.329 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.223 -6.612 -8.923 1.00 0.00 H new ATOM 460 N LEU A 31 2.322 -4.422 -4.980 1.00 0.00 N ATOM 461 CA LEU A 31 2.216 -3.085 -4.407 1.00 0.00 C ATOM 462 C LEU A 31 3.598 -2.495 -4.144 1.00 0.00 C ATOM 463 O LEU A 31 3.865 -1.341 -4.478 1.00 0.00 O ATOM 464 CB LEU A 31 1.410 -3.126 -3.108 1.00 0.00 C ATOM 465 CG LEU A 31 0.022 -3.762 -3.226 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.198 -4.779 -2.117 1.00 0.00 C ATOM 467 CD2 LEU A 31 -1.060 -2.693 -3.194 1.00 0.00 C ATOM 0 H LEU A 31 1.969 -5.167 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 31 1.700 -2.449 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.982 -3.675 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.296 -2.108 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.036 -4.281 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.190 -5.219 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.556 -5.563 -2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.118 -4.285 -1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.039 -3.164 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.002 -2.144 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.915 -2.004 -4.026 1.00 0.00 H new ATOM 479 N VAL A 32 4.471 -3.295 -3.541 1.00 0.00 N ATOM 480 CA VAL A 32 5.825 -2.853 -3.231 1.00 0.00 C ATOM 481 C VAL A 32 6.636 -2.625 -4.502 1.00 0.00 C ATOM 482 O VAL A 32 7.521 -1.771 -4.540 1.00 0.00 O ATOM 483 CB VAL A 32 6.561 -3.876 -2.345 1.00 0.00 C ATOM 484 CG1 VAL A 32 7.890 -3.312 -1.868 1.00 0.00 C ATOM 485 CG2 VAL A 32 5.692 -4.284 -1.165 1.00 0.00 C ATOM 0 H VAL A 32 4.265 -4.253 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 32 5.732 -1.912 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 32 6.764 -4.765 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.395 -4.049 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.515 -3.076 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.714 -2.406 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.229 -5.007 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.455 -3.404 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.769 -4.733 -1.531 1.00 0.00 H new ATOM 495 N ASP A 33 6.327 -3.394 -5.541 1.00 0.00 N ATOM 496 CA ASP A 33 7.026 -3.275 -6.814 1.00 0.00 C ATOM 497 C ASP A 33 6.654 -1.976 -7.523 1.00 0.00 C ATOM 498 O ASP A 33 7.481 -1.370 -8.203 1.00 0.00 O ATOM 499 CB ASP A 33 6.702 -4.470 -7.712 1.00 0.00 C ATOM 500 CG ASP A 33 7.479 -4.444 -9.013 1.00 0.00 C ATOM 501 OD1 ASP A 33 8.630 -3.959 -9.008 1.00 0.00 O ATOM 502 OD2 ASP A 33 6.937 -4.908 -10.039 1.00 0.00 O ATOM 0 H ASP A 33 5.597 -4.106 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 33 8.097 -3.262 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.925 -5.393 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.634 -4.478 -7.930 1.00 0.00 H new ATOM 507 N ASN A 34 5.404 -1.556 -7.358 1.00 0.00 N ATOM 508 CA ASN A 34 4.923 -0.329 -7.982 1.00 0.00 C ATOM 509 C ASN A 34 5.247 0.886 -7.118 1.00 0.00 C ATOM 510 O ASN A 34 5.466 1.983 -7.631 1.00 0.00 O ATOM 511 CB ASN A 34 3.414 -0.412 -8.221 1.00 0.00 C ATOM 512 CG ASN A 34 3.027 -1.615 -9.059 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.792 -2.062 -9.913 1.00 0.00 O ATOM 514 ND2 ASN A 34 1.834 -2.145 -8.818 1.00 0.00 N ATOM 0 H ASN A 34 4.707 -2.047 -6.798 1.00 0.00 H new ATOM 0 HA ASN A 34 5.431 -0.215 -8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.899 -0.460 -7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.077 0.497 -8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.519 -2.956 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.232 -1.741 -8.100 1.00 0.00 H new ATOM 521 N LEU A 35 5.277 0.682 -5.805 1.00 0.00 N ATOM 522 CA LEU A 35 5.575 1.761 -4.870 1.00 0.00 C ATOM 523 C LEU A 35 7.068 2.077 -4.862 1.00 0.00 C ATOM 524 O LEU A 35 7.469 3.220 -4.643 1.00 0.00 O ATOM 525 CB LEU A 35 5.113 1.385 -3.462 1.00 0.00 C ATOM 526 CG LEU A 35 3.609 1.523 -3.215 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.142 0.504 -2.188 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.273 2.935 -2.760 1.00 0.00 C ATOM 0 H LEU A 35 5.099 -0.220 -5.364 1.00 0.00 H new ATOM 0 HA LEU A 35 5.036 2.651 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.405 0.354 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.643 2.010 -2.743 1.00 0.00 H new ATOM 0 HG LEU A 35 3.086 1.330 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.070 0.617 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.350 -0.502 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.671 0.665 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.200 3.016 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.806 3.156 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.572 3.646 -3.530 1.00 0.00 H new ATOM 540 N LEU A 36 7.885 1.055 -5.100 1.00 0.00 N ATOM 541 CA LEU A 36 9.333 1.224 -5.118 1.00 0.00 C ATOM 542 C LEU A 36 9.775 2.008 -6.350 1.00 0.00 C ATOM 543 O LEU A 36 10.707 2.809 -6.286 1.00 0.00 O ATOM 544 CB LEU A 36 10.026 -0.139 -5.091 1.00 0.00 C ATOM 545 CG LEU A 36 10.108 -0.797 -3.713 1.00 0.00 C ATOM 546 CD1 LEU A 36 10.592 -2.234 -3.835 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.024 0.000 -2.796 1.00 0.00 C ATOM 0 H LEU A 36 7.569 0.103 -5.283 1.00 0.00 H new ATOM 0 HA LEU A 36 9.619 1.788 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.498 -0.811 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.037 -0.023 -5.482 1.00 0.00 H new ATOM 0 HG LEU A 36 9.109 -0.808 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.644 -2.686 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.898 -2.800 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.581 -2.247 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.071 -0.482 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.024 0.043 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.634 1.012 -2.682 1.00 0.00 H new ATOM 559 N LYS A 37 9.098 1.772 -7.470 1.00 0.00 N ATOM 560 CA LYS A 37 9.422 2.457 -8.717 1.00 0.00 C ATOM 561 C LYS A 37 9.271 3.966 -8.563 1.00 0.00 C ATOM 562 O LYS A 37 10.084 4.737 -9.071 1.00 0.00 O ATOM 563 CB LYS A 37 8.522 1.954 -9.847 1.00 0.00 C ATOM 564 CG LYS A 37 9.131 2.127 -11.230 1.00 0.00 C ATOM 565 CD LYS A 37 8.916 0.894 -12.093 1.00 0.00 C ATOM 566 CE LYS A 37 8.660 1.268 -13.544 1.00 0.00 C ATOM 567 NZ LYS A 37 9.651 2.260 -14.046 1.00 0.00 N ATOM 0 H LYS A 37 8.323 1.113 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 37 10.461 2.238 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.303 0.899 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.571 2.486 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.688 2.995 -11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.199 2.325 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.792 0.248 -12.032 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.071 0.322 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.699 0.371 -14.162 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.655 1.678 -13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.705 2.203 -15.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.356 3.217 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.586 2.053 -13.639 1.00 0.00 H new ATOM 581 N ASN A 38 8.224 4.381 -7.857 1.00 0.00 N ATOM 582 CA ASN A 38 7.966 5.800 -7.633 1.00 0.00 C ATOM 583 C ASN A 38 8.789 6.339 -6.464 1.00 0.00 C ATOM 584 O ASN A 38 8.699 7.519 -6.126 1.00 0.00 O ATOM 585 CB ASN A 38 6.476 6.031 -7.370 1.00 0.00 C ATOM 586 CG ASN A 38 5.632 5.831 -8.613 1.00 0.00 C ATOM 587 OD1 ASN A 38 5.620 6.674 -9.511 1.00 0.00 O ATOM 588 ND2 ASN A 38 4.918 4.713 -8.671 1.00 0.00 N ATOM 0 H ASN A 38 7.541 3.756 -7.430 1.00 0.00 H new ATOM 0 HA ASN A 38 8.263 6.338 -8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.137 5.348 -6.591 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.329 7.043 -6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.329 4.525 -9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.958 4.042 -7.904 1.00 0.00 H new ATOM 595 N ASP A 39 9.591 5.473 -5.846 1.00 0.00 N ATOM 596 CA ASP A 39 10.423 5.871 -4.717 1.00 0.00 C ATOM 597 C ASP A 39 9.564 6.275 -3.523 1.00 0.00 C ATOM 598 O ASP A 39 9.894 7.211 -2.794 1.00 0.00 O ATOM 599 CB ASP A 39 11.343 7.029 -5.114 1.00 0.00 C ATOM 600 CG ASP A 39 12.705 6.937 -4.454 1.00 0.00 C ATOM 601 OD1 ASP A 39 13.146 5.807 -4.157 1.00 0.00 O ATOM 602 OD2 ASP A 39 13.329 7.995 -4.233 1.00 0.00 O ATOM 0 H ASP A 39 9.681 4.492 -6.110 1.00 0.00 H new ATOM 0 HA ASP A 39 11.033 5.015 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.467 7.036 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.873 7.973 -4.840 1.00 0.00 H new ATOM 607 N TYR A 40 8.460 5.561 -3.328 1.00 0.00 N ATOM 608 CA TYR A 40 7.552 5.843 -2.222 1.00 0.00 C ATOM 609 C TYR A 40 7.942 5.045 -0.982 1.00 0.00 C ATOM 610 O TYR A 40 7.883 5.551 0.139 1.00 0.00 O ATOM 611 CB TYR A 40 6.113 5.515 -2.620 1.00 0.00 C ATOM 612 CG TYR A 40 5.394 6.661 -3.298 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.863 7.190 -4.493 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.246 7.210 -2.742 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.210 8.236 -5.116 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.586 8.257 -3.358 1.00 0.00 C ATOM 617 CZ TYR A 40 4.072 8.766 -4.545 1.00 0.00 C ATOM 618 OH TYR A 40 3.417 9.807 -5.162 1.00 0.00 O ATOM 0 H TYR A 40 8.173 4.783 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 40 7.624 6.905 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.117 4.654 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.556 5.224 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.753 6.777 -4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.863 6.813 -1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.589 8.636 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.695 8.674 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 40 2.580 9.480 -5.554 1.00 0.00 H new ATOM 628 N PHE A 41 8.340 3.795 -1.191 1.00 0.00 N ATOM 629 CA PHE A 41 8.740 2.925 -0.091 1.00 0.00 C ATOM 630 C PHE A 41 10.256 2.927 0.079 1.00 0.00 C ATOM 631 O PHE A 41 11.000 2.767 -0.889 1.00 0.00 O ATOM 632 CB PHE A 41 8.243 1.499 -0.335 1.00 0.00 C ATOM 633 CG PHE A 41 7.035 1.136 0.480 1.00 0.00 C ATOM 634 CD1 PHE A 41 5.835 1.806 0.301 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.099 0.125 1.426 1.00 0.00 C ATOM 636 CE1 PHE A 41 4.722 1.474 1.051 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.989 -0.211 2.178 1.00 0.00 C ATOM 638 CZ PHE A 41 4.800 0.465 1.991 1.00 0.00 C ATOM 0 H PHE A 41 8.394 3.361 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 41 8.289 3.307 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.006 1.382 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.047 0.799 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.769 2.596 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.027 -0.406 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.792 2.003 0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.052 -1.002 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.932 0.205 2.579 1.00 0.00 H new ATOM 648 N SER A 42 10.707 3.111 1.316 1.00 0.00 N ATOM 649 CA SER A 42 12.135 3.133 1.614 1.00 0.00 C ATOM 650 C SER A 42 12.728 1.730 1.537 1.00 0.00 C ATOM 651 O SER A 42 11.998 0.740 1.471 1.00 0.00 O ATOM 652 CB SER A 42 12.378 3.728 3.002 1.00 0.00 C ATOM 653 OG SER A 42 11.681 4.951 3.162 1.00 0.00 O ATOM 0 H SER A 42 10.105 3.247 2.128 1.00 0.00 H new ATOM 0 HA SER A 42 12.628 3.757 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.056 3.020 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.445 3.892 3.149 1.00 0.00 H new ATOM 0 HG SER A 42 11.851 5.310 4.058 1.00 0.00 H new ATOM 659 N ALA A 43 14.054 1.652 1.547 1.00 0.00 N ATOM 660 CA ALA A 43 14.743 0.369 1.478 1.00 0.00 C ATOM 661 C ALA A 43 14.542 -0.431 2.761 1.00 0.00 C ATOM 662 O ALA A 43 14.317 -1.640 2.720 1.00 0.00 O ATOM 663 CB ALA A 43 16.226 0.580 1.213 1.00 0.00 C ATOM 0 H ALA A 43 14.673 2.461 1.602 1.00 0.00 H new ATOM 0 HA ALA A 43 14.315 -0.201 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.728 -0.386 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.355 1.105 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.659 1.173 2.019 1.00 0.00 H new ATOM 669 N GLU A 44 14.623 0.252 3.897 1.00 0.00 N ATOM 670 CA GLU A 44 14.449 -0.395 5.193 1.00 0.00 C ATOM 671 C GLU A 44 13.011 -0.871 5.374 1.00 0.00 C ATOM 672 O GLU A 44 12.766 -1.939 5.936 1.00 0.00 O ATOM 673 CB GLU A 44 14.826 0.566 6.321 1.00 0.00 C ATOM 674 CG GLU A 44 16.327 0.739 6.496 1.00 0.00 C ATOM 675 CD GLU A 44 16.932 1.665 5.458 1.00 0.00 C ATOM 676 OE1 GLU A 44 16.846 2.896 5.640 1.00 0.00 O ATOM 677 OE2 GLU A 44 17.492 1.156 4.464 1.00 0.00 O ATOM 0 H GLU A 44 14.808 1.254 3.947 1.00 0.00 H new ATOM 0 HA GLU A 44 15.108 -1.263 5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.377 1.539 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.399 0.202 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.530 1.133 7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.811 -0.236 6.434 1.00 0.00 H new ATOM 684 N ASP A 45 12.064 -0.071 4.896 1.00 0.00 N ATOM 685 CA ASP A 45 10.649 -0.410 5.005 1.00 0.00 C ATOM 686 C ASP A 45 10.334 -1.689 4.235 1.00 0.00 C ATOM 687 O ASP A 45 9.685 -2.595 4.756 1.00 0.00 O ATOM 688 CB ASP A 45 9.787 0.739 4.481 1.00 0.00 C ATOM 689 CG ASP A 45 9.836 1.958 5.381 1.00 0.00 C ATOM 690 OD1 ASP A 45 10.918 2.243 5.936 1.00 0.00 O ATOM 691 OD2 ASP A 45 8.792 2.627 5.532 1.00 0.00 O ATOM 0 H ASP A 45 12.250 0.817 4.429 1.00 0.00 H new ATOM 0 HA ASP A 45 10.421 -0.576 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.124 1.015 3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.755 0.401 4.388 1.00 0.00 H new ATOM 696 N ALA A 46 10.799 -1.754 2.991 1.00 0.00 N ATOM 697 CA ALA A 46 10.566 -2.921 2.149 1.00 0.00 C ATOM 698 C ALA A 46 11.232 -4.164 2.730 1.00 0.00 C ATOM 699 O ALA A 46 10.780 -5.286 2.502 1.00 0.00 O ATOM 700 CB ALA A 46 11.071 -2.661 0.737 1.00 0.00 C ATOM 0 H ALA A 46 11.339 -1.013 2.545 1.00 0.00 H new ATOM 0 HA ALA A 46 9.492 -3.102 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.891 -3.540 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.544 -1.806 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.140 -2.451 0.766 1.00 0.00 H new ATOM 706 N GLU A 47 12.311 -3.958 3.480 1.00 0.00 N ATOM 707 CA GLU A 47 13.039 -5.065 4.091 1.00 0.00 C ATOM 708 C GLU A 47 12.191 -5.757 5.154 1.00 0.00 C ATOM 709 O GLU A 47 12.330 -6.958 5.387 1.00 0.00 O ATOM 710 CB GLU A 47 14.348 -4.562 4.708 1.00 0.00 C ATOM 711 CG GLU A 47 15.563 -5.380 4.304 1.00 0.00 C ATOM 712 CD GLU A 47 16.387 -5.831 5.495 1.00 0.00 C ATOM 713 OE1 GLU A 47 15.790 -6.287 6.492 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.630 -5.725 5.431 1.00 0.00 O ATOM 0 H GLU A 47 12.700 -3.036 3.679 1.00 0.00 H new ATOM 0 HA GLU A 47 13.269 -5.791 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.504 -3.524 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.257 -4.574 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.236 -6.254 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.190 -4.788 3.637 1.00 0.00 H new ATOM 721 N ILE A 48 11.314 -4.993 5.797 1.00 0.00 N ATOM 722 CA ILE A 48 10.446 -5.538 6.835 1.00 0.00 C ATOM 723 C ILE A 48 9.314 -6.363 6.230 1.00 0.00 C ATOM 724 O ILE A 48 8.944 -7.410 6.762 1.00 0.00 O ATOM 725 CB ILE A 48 9.841 -4.420 7.706 1.00 0.00 C ATOM 726 CG1 ILE A 48 10.938 -3.473 8.193 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.088 -5.017 8.886 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.406 -2.217 8.848 1.00 0.00 C ATOM 0 H ILE A 48 11.186 -3.997 5.618 1.00 0.00 H new ATOM 0 HA ILE A 48 11.067 -6.180 7.460 1.00 0.00 H new ATOM 0 HB ILE A 48 9.137 -3.849 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.574 -4.002 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.567 -3.194 7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.666 -4.215 9.492 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.284 -5.656 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.773 -5.609 9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.240 -1.593 9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.793 -1.666 8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.801 -2.486 9.714 1.00 0.00 H new ATOM 740 N VAL A 49 8.768 -5.886 5.116 1.00 0.00 N ATOM 741 CA VAL A 49 7.678 -6.580 4.440 1.00 0.00 C ATOM 742 C VAL A 49 8.088 -7.997 4.049 1.00 0.00 C ATOM 743 O VAL A 49 7.398 -8.964 4.372 1.00 0.00 O ATOM 744 CB VAL A 49 7.225 -5.823 3.179 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.967 -6.450 2.601 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.001 -4.351 3.492 1.00 0.00 C ATOM 0 H VAL A 49 9.063 -5.021 4.662 1.00 0.00 H new ATOM 0 HA VAL A 49 6.847 -6.625 5.144 1.00 0.00 H new ATOM 0 HB VAL A 49 8.015 -5.896 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.663 -5.900 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.167 -7.488 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.168 -6.411 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.681 -3.832 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.231 -4.255 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.930 -3.911 3.854 1.00 0.00 H new ATOM 756 N CYS A 50 9.213 -8.111 3.353 1.00 0.00 N ATOM 757 CA CYS A 50 9.716 -9.408 2.918 1.00 0.00 C ATOM 758 C CYS A 50 10.126 -10.264 4.113 1.00 0.00 C ATOM 759 O CYS A 50 10.061 -11.492 4.061 1.00 0.00 O ATOM 760 CB CYS A 50 10.907 -9.227 1.975 1.00 0.00 C ATOM 761 SG CYS A 50 11.110 -10.566 0.777 1.00 0.00 S ATOM 0 H CYS A 50 9.795 -7.320 3.078 1.00 0.00 H new ATOM 0 HA CYS A 50 8.913 -9.919 2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.791 -8.287 1.436 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.817 -9.144 2.569 1.00 0.00 H new ATOM 0 HG CYS A 50 12.141 -10.322 0.024 1.00 0.00 H new ATOM 767 N ALA A 51 10.550 -9.606 5.188 1.00 0.00 N ATOM 768 CA ALA A 51 10.971 -10.305 6.397 1.00 0.00 C ATOM 769 C ALA A 51 9.858 -11.196 6.943 1.00 0.00 C ATOM 770 O ALA A 51 10.120 -12.149 7.676 1.00 0.00 O ATOM 771 CB ALA A 51 11.416 -9.306 7.454 1.00 0.00 C ATOM 0 H ALA A 51 10.611 -8.589 5.246 1.00 0.00 H new ATOM 0 HA ALA A 51 11.813 -10.947 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.728 -9.840 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.252 -8.720 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.588 -8.641 7.697 1.00 0.00 H new ATOM 777 N CYS A 52 8.616 -10.880 6.584 1.00 0.00 N ATOM 778 CA CYS A 52 7.468 -11.654 7.044 1.00 0.00 C ATOM 779 C CYS A 52 7.627 -13.133 6.694 1.00 0.00 C ATOM 780 O CYS A 52 8.171 -13.475 5.643 1.00 0.00 O ATOM 781 CB CYS A 52 6.178 -11.109 6.426 1.00 0.00 C ATOM 782 SG CYS A 52 5.639 -9.530 7.122 1.00 0.00 S ATOM 0 H CYS A 52 8.380 -10.095 5.977 1.00 0.00 H new ATOM 0 HA CYS A 52 7.413 -11.561 8.129 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.324 -10.990 5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.384 -11.844 6.561 1.00 0.00 H new ATOM 0 HG CYS A 52 6.073 -8.557 6.377 1.00 0.00 H new ATOM 788 N PRO A 53 7.154 -14.034 7.573 1.00 0.00 N ATOM 789 CA PRO A 53 7.249 -15.478 7.352 1.00 0.00 C ATOM 790 C PRO A 53 6.230 -15.979 6.333 1.00 0.00 C ATOM 791 O PRO A 53 6.532 -16.848 5.514 1.00 0.00 O ATOM 792 CB PRO A 53 6.952 -16.061 8.733 1.00 0.00 C ATOM 793 CG PRO A 53 6.059 -15.058 9.377 1.00 0.00 C ATOM 794 CD PRO A 53 6.491 -13.713 8.854 1.00 0.00 C ATOM 0 HA PRO A 53 8.219 -15.767 6.947 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.466 -17.034 8.657 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.867 -16.205 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.015 -15.253 9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.146 -15.100 10.463 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.640 -13.047 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.172 -13.215 9.544 1.00 0.00 H new ATOM 802 N THR A 54 5.022 -15.428 6.391 1.00 0.00 N ATOM 803 CA THR A 54 3.958 -15.822 5.474 1.00 0.00 C ATOM 804 C THR A 54 3.436 -14.620 4.693 1.00 0.00 C ATOM 805 O THR A 54 3.941 -13.506 4.836 1.00 0.00 O ATOM 806 CB THR A 54 2.813 -16.480 6.244 1.00 0.00 C ATOM 807 OG1 THR A 54 2.333 -15.619 7.262 1.00 0.00 O ATOM 808 CG2 THR A 54 3.206 -17.788 6.897 1.00 0.00 C ATOM 0 H THR A 54 4.755 -14.708 7.063 1.00 0.00 H new ATOM 0 HA THR A 54 4.372 -16.539 4.765 1.00 0.00 H new ATOM 0 HB THR A 54 2.042 -16.680 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.600 -16.057 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.348 -18.202 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.535 -18.492 6.133 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.018 -17.613 7.602 1.00 0.00 H new ATOM 816 N GLN A 55 2.423 -14.855 3.864 1.00 0.00 N ATOM 817 CA GLN A 55 1.832 -13.793 3.058 1.00 0.00 C ATOM 818 C GLN A 55 0.958 -12.877 3.913 1.00 0.00 C ATOM 819 O GLN A 55 1.138 -11.660 3.915 1.00 0.00 O ATOM 820 CB GLN A 55 1.006 -14.392 1.916 1.00 0.00 C ATOM 821 CG GLN A 55 1.348 -13.816 0.552 1.00 0.00 C ATOM 822 CD GLN A 55 2.719 -14.244 0.067 1.00 0.00 C ATOM 823 OE1 GLN A 55 3.197 -15.329 0.397 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.360 -13.389 -0.721 1.00 0.00 N ATOM 0 H GLN A 55 1.995 -15.771 3.733 1.00 0.00 H new ATOM 0 HA GLN A 55 2.642 -13.197 2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.160 -15.471 1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.052 -14.225 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.596 -14.132 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.307 -12.728 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.926 -12.500 -0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.287 -13.621 -1.078 1.00 0.00 H new ATOM 833 N PRO A 56 -0.002 -13.454 4.659 1.00 0.00 N ATOM 834 CA PRO A 56 -0.903 -12.681 5.520 1.00 0.00 C ATOM 835 C PRO A 56 -0.150 -11.701 6.414 1.00 0.00 C ATOM 836 O PRO A 56 -0.686 -10.663 6.804 1.00 0.00 O ATOM 837 CB PRO A 56 -1.590 -13.756 6.364 1.00 0.00 C ATOM 838 CG PRO A 56 -1.561 -14.978 5.514 1.00 0.00 C ATOM 839 CD PRO A 56 -0.286 -14.901 4.718 1.00 0.00 C ATOM 0 HA PRO A 56 -1.593 -12.066 4.943 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.065 -13.916 7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.612 -13.471 6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.585 -15.880 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.430 -15.016 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.523 -15.449 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.409 -15.327 3.722 1.00 0.00 H new ATOM 847 N ASP A 57 1.095 -12.037 6.732 1.00 0.00 N ATOM 848 CA ASP A 57 1.924 -11.186 7.577 1.00 0.00 C ATOM 849 C ASP A 57 2.421 -9.970 6.801 1.00 0.00 C ATOM 850 O ASP A 57 2.534 -8.873 7.350 1.00 0.00 O ATOM 851 CB ASP A 57 3.113 -11.978 8.124 1.00 0.00 C ATOM 852 CG ASP A 57 2.834 -12.568 9.494 1.00 0.00 C ATOM 853 OD1 ASP A 57 2.326 -13.708 9.557 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.125 -11.891 10.502 1.00 0.00 O ATOM 0 H ASP A 57 1.552 -12.893 6.417 1.00 0.00 H new ATOM 0 HA ASP A 57 1.314 -10.839 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.362 -12.781 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.984 -11.326 8.183 1.00 0.00 H new ATOM 859 N LYS A 58 2.715 -10.173 5.521 1.00 0.00 N ATOM 860 CA LYS A 58 3.200 -9.095 4.667 1.00 0.00 C ATOM 861 C LYS A 58 2.135 -8.018 4.491 1.00 0.00 C ATOM 862 O LYS A 58 2.396 -6.833 4.700 1.00 0.00 O ATOM 863 CB LYS A 58 3.614 -9.646 3.301 1.00 0.00 C ATOM 864 CG LYS A 58 4.682 -10.724 3.379 1.00 0.00 C ATOM 865 CD LYS A 58 4.806 -11.483 2.067 1.00 0.00 C ATOM 866 CE LYS A 58 5.996 -11.000 1.252 1.00 0.00 C ATOM 867 NZ LYS A 58 7.031 -12.060 1.098 1.00 0.00 N ATOM 0 H LYS A 58 2.626 -11.074 5.052 1.00 0.00 H new ATOM 0 HA LYS A 58 4.068 -8.646 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.735 -10.052 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.981 -8.826 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.641 -10.270 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.439 -11.420 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.912 -12.548 2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.892 -11.359 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.656 -10.679 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.438 -10.129 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.825 -11.691 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.375 -12.348 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.617 -12.882 0.613 1.00 0.00 H new ATOM 881 N VAL A 59 0.933 -8.436 4.106 1.00 0.00 N ATOM 882 CA VAL A 59 -0.173 -7.506 3.903 1.00 0.00 C ATOM 883 C VAL A 59 -0.422 -6.662 5.150 1.00 0.00 C ATOM 884 O VAL A 59 -0.887 -5.526 5.060 1.00 0.00 O ATOM 885 CB VAL A 59 -1.472 -8.247 3.533 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.558 -7.258 3.137 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.218 -9.246 2.415 1.00 0.00 C ATOM 0 H VAL A 59 0.700 -9.413 3.928 1.00 0.00 H new ATOM 0 HA VAL A 59 0.113 -6.854 3.078 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.816 -8.797 4.409 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.468 -7.800 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.760 -6.586 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.225 -6.678 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.147 -9.759 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.848 -8.720 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.476 -9.975 2.740 1.00 0.00 H new ATOM 897 N ARG A 60 -0.110 -7.226 6.312 1.00 0.00 N ATOM 898 CA ARG A 60 -0.299 -6.525 7.576 1.00 0.00 C ATOM 899 C ARG A 60 0.877 -5.598 7.865 1.00 0.00 C ATOM 900 O ARG A 60 0.721 -4.567 8.519 1.00 0.00 O ATOM 901 CB ARG A 60 -0.468 -7.530 8.718 1.00 0.00 C ATOM 902 CG ARG A 60 -1.584 -7.170 9.686 1.00 0.00 C ATOM 903 CD ARG A 60 -2.184 -8.409 10.332 1.00 0.00 C ATOM 904 NE ARG A 60 -2.398 -8.229 11.765 1.00 0.00 N ATOM 905 CZ ARG A 60 -1.415 -8.059 12.646 1.00 0.00 C ATOM 906 NH1 ARG A 60 -0.149 -8.047 12.245 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.697 -7.903 13.933 1.00 0.00 N ATOM 0 H ARG A 60 0.275 -8.166 6.404 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.202 -5.920 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.667 -8.515 8.297 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.470 -7.603 9.269 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.196 -6.507 10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.363 -6.621 9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.133 -8.646 9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.523 -9.260 10.168 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.357 -8.234 12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.074 -8.168 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.600 -7.916 12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.667 -7.913 14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.944 -7.773 14.608 1.00 0.00 H new ATOM 921 N LYS A 61 2.055 -5.971 7.375 1.00 0.00 N ATOM 922 CA LYS A 61 3.257 -5.173 7.582 1.00 0.00 C ATOM 923 C LYS A 61 3.217 -3.898 6.747 1.00 0.00 C ATOM 924 O LYS A 61 3.568 -2.819 7.225 1.00 0.00 O ATOM 925 CB LYS A 61 4.503 -5.987 7.229 1.00 0.00 C ATOM 926 CG LYS A 61 5.806 -5.235 7.450 1.00 0.00 C ATOM 927 CD LYS A 61 5.902 -4.682 8.863 1.00 0.00 C ATOM 928 CE LYS A 61 5.975 -5.797 9.895 1.00 0.00 C ATOM 929 NZ LYS A 61 5.089 -5.533 11.062 1.00 0.00 N ATOM 0 H LYS A 61 2.202 -6.822 6.832 1.00 0.00 H new ATOM 0 HA LYS A 61 3.299 -4.895 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.513 -6.898 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.443 -6.293 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.648 -5.902 7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.881 -4.417 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.785 -4.048 8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.037 -4.052 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.691 -6.741 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.004 -5.907 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.168 -6.316 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.376 -4.645 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.104 -5.453 10.739 1.00 0.00 H new ATOM 943 N ILE A 62 2.786 -4.027 5.496 1.00 0.00 N ATOM 944 CA ILE A 62 2.700 -2.883 4.596 1.00 0.00 C ATOM 945 C ILE A 62 1.767 -1.813 5.158 1.00 0.00 C ATOM 946 O ILE A 62 2.071 -0.623 5.106 1.00 0.00 O ATOM 947 CB ILE A 62 2.206 -3.303 3.197 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.098 -4.408 2.627 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.179 -2.104 2.258 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.615 -4.951 1.300 1.00 0.00 C ATOM 0 H ILE A 62 2.491 -4.912 5.083 1.00 0.00 H new ATOM 0 HA ILE A 62 3.706 -2.472 4.506 1.00 0.00 H new ATOM 0 HB ILE A 62 1.191 -3.690 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.109 -4.020 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.154 -5.225 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.828 -2.419 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.507 -1.344 2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.183 -1.689 2.169 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.295 -5.730 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.616 -5.369 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.586 -4.146 0.566 1.00 0.00 H new ATOM 962 N LEU A 63 0.631 -2.248 5.693 1.00 0.00 N ATOM 963 CA LEU A 63 -0.344 -1.326 6.264 1.00 0.00 C ATOM 964 C LEU A 63 0.265 -0.531 7.413 1.00 0.00 C ATOM 965 O LEU A 63 0.048 0.676 7.530 1.00 0.00 O ATOM 966 CB LEU A 63 -1.574 -2.093 6.755 1.00 0.00 C ATOM 967 CG LEU A 63 -2.310 -2.893 5.679 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.205 -3.944 6.314 1.00 0.00 C ATOM 969 CD2 LEU A 63 -3.122 -1.964 4.789 1.00 0.00 C ATOM 0 H LEU A 63 0.363 -3.231 5.743 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.646 -0.627 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.265 -2.776 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.272 -1.384 7.200 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.571 -3.402 5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.720 -4.503 5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.599 -4.627 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.939 -3.457 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.640 -2.549 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.853 -1.427 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.456 -1.249 4.306 1.00 0.00 H new ATOM 981 N ASP A 64 1.030 -1.213 8.259 1.00 0.00 N ATOM 982 CA ASP A 64 1.672 -0.569 9.399 1.00 0.00 C ATOM 983 C ASP A 64 2.745 0.411 8.936 1.00 0.00 C ATOM 984 O ASP A 64 2.998 1.424 9.589 1.00 0.00 O ATOM 985 CB ASP A 64 2.287 -1.620 10.326 1.00 0.00 C ATOM 986 CG ASP A 64 2.007 -1.336 11.788 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.517 -0.320 12.305 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.277 -2.131 12.418 1.00 0.00 O ATOM 0 H ASP A 64 1.220 -2.212 8.177 1.00 0.00 H new ATOM 0 HA ASP A 64 0.911 -0.013 9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.893 -2.603 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.365 -1.656 10.166 1.00 0.00 H new ATOM 993 N LEU A 65 3.372 0.103 7.806 1.00 0.00 N ATOM 994 CA LEU A 65 4.419 0.957 7.255 1.00 0.00 C ATOM 995 C LEU A 65 3.821 2.197 6.598 1.00 0.00 C ATOM 996 O LEU A 65 4.302 3.312 6.799 1.00 0.00 O ATOM 997 CB LEU A 65 5.256 0.181 6.238 1.00 0.00 C ATOM 998 CG LEU A 65 6.397 -0.644 6.833 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.955 -1.609 5.798 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.494 0.268 7.360 1.00 0.00 C ATOM 0 H LEU A 65 3.174 -0.731 7.254 1.00 0.00 H new ATOM 0 HA LEU A 65 5.061 1.277 8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.597 -0.486 5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.674 0.887 5.520 1.00 0.00 H new ATOM 0 HG LEU A 65 6.003 -1.226 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.766 -2.187 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.166 -2.284 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.333 -1.048 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.298 -0.336 7.780 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.885 0.876 6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.086 0.918 8.134 1.00 0.00 H new ATOM 1012 N VAL A 66 2.768 1.994 5.813 1.00 0.00 N ATOM 1013 CA VAL A 66 2.103 3.095 5.125 1.00 0.00 C ATOM 1014 C VAL A 66 1.597 4.137 6.117 1.00 0.00 C ATOM 1015 O VAL A 66 1.661 5.339 5.856 1.00 0.00 O ATOM 1016 CB VAL A 66 0.919 2.594 4.275 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.342 3.727 3.439 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.350 1.433 3.389 1.00 0.00 C ATOM 0 H VAL A 66 2.357 1.077 5.637 1.00 0.00 H new ATOM 0 HA VAL A 66 2.844 3.551 4.469 1.00 0.00 H new ATOM 0 HB VAL A 66 0.139 2.238 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.493 3.353 2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.008 4.523 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.113 4.118 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.501 1.093 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.149 1.760 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.709 0.614 4.012 1.00 0.00 H new ATOM 1028 N GLN A 67 1.096 3.670 7.255 1.00 0.00 N ATOM 1029 CA GLN A 67 0.580 4.562 8.287 1.00 0.00 C ATOM 1030 C GLN A 67 1.697 5.418 8.875 1.00 0.00 C ATOM 1031 O GLN A 67 1.466 6.547 9.304 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.099 3.756 9.394 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.444 3.177 8.988 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.804 1.930 9.772 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.260 1.682 10.848 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -2.723 1.137 9.235 1.00 0.00 N ATOM 0 H GLN A 67 1.036 2.678 7.486 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.154 5.223 7.827 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.561 2.943 9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.237 4.396 10.266 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.218 3.930 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.427 2.940 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.148 1.382 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.004 0.283 9.717 1.00 0.00 H new ATOM 1045 N SER A 68 2.909 4.871 8.892 1.00 0.00 N ATOM 1046 CA SER A 68 4.062 5.585 9.428 1.00 0.00 C ATOM 1047 C SER A 68 4.555 6.639 8.442 1.00 0.00 C ATOM 1048 O SER A 68 5.048 7.694 8.842 1.00 0.00 O ATOM 1049 CB SER A 68 5.191 4.603 9.751 1.00 0.00 C ATOM 1050 OG SER A 68 4.846 3.772 10.846 1.00 0.00 O ATOM 0 H SER A 68 3.117 3.936 8.541 1.00 0.00 H new ATOM 0 HA SER A 68 3.754 6.087 10.345 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.404 3.988 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.102 5.155 9.982 1.00 0.00 H new ATOM 0 HG SER A 68 4.294 3.027 10.530 1.00 0.00 H new ATOM 1056 N LYS A 69 4.420 6.346 7.153 1.00 0.00 N ATOM 1057 CA LYS A 69 4.851 7.269 6.110 1.00 0.00 C ATOM 1058 C LYS A 69 3.986 8.526 6.103 1.00 0.00 C ATOM 1059 O LYS A 69 4.490 9.637 5.939 1.00 0.00 O ATOM 1060 CB LYS A 69 4.793 6.588 4.741 1.00 0.00 C ATOM 1061 CG LYS A 69 5.700 5.373 4.628 1.00 0.00 C ATOM 1062 CD LYS A 69 5.822 4.902 3.188 1.00 0.00 C ATOM 1063 CE LYS A 69 6.825 3.767 3.058 1.00 0.00 C ATOM 1064 NZ LYS A 69 8.225 4.239 3.238 1.00 0.00 N ATOM 0 H LYS A 69 4.015 5.476 6.806 1.00 0.00 H new ATOM 0 HA LYS A 69 5.880 7.560 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.766 6.285 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.069 7.310 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.688 5.618 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.306 4.565 5.244 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.848 4.571 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.129 5.735 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.603 3.000 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.722 3.302 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.826 3.441 3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.578 4.629 2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.251 4.977 3.970 1.00 0.00 H new ATOM 1078 N GLY A 70 2.683 8.342 6.282 1.00 0.00 N ATOM 1079 CA GLY A 70 1.769 9.470 6.294 1.00 0.00 C ATOM 1080 C GLY A 70 0.710 9.372 5.214 1.00 0.00 C ATOM 1081 O GLY A 70 0.701 8.425 4.427 1.00 0.00 O ATOM 0 H GLY A 70 2.243 7.432 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.285 9.530 7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.334 10.393 6.161 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.186 10.352 5.177 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.256 10.374 4.186 1.00 0.00 C ATOM 1087 C GLU A 71 -0.692 10.511 2.774 1.00 0.00 C ATOM 1088 O GLU A 71 -1.315 10.081 1.803 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.223 11.525 4.474 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.853 11.458 5.855 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.820 12.597 6.111 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.974 12.514 5.637 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -3.425 13.572 6.784 1.00 0.00 O ATOM 0 H GLU A 71 -0.193 11.142 5.822 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.795 9.429 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.690 12.470 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.013 11.522 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.378 10.509 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.067 11.477 6.610 1.00 0.00 H new ATOM 1100 N GLU A 72 0.491 11.110 2.666 1.00 0.00 N ATOM 1101 CA GLU A 72 1.137 11.303 1.372 1.00 0.00 C ATOM 1102 C GLU A 72 1.306 9.973 0.643 1.00 0.00 C ATOM 1103 O GLU A 72 1.256 9.918 -0.586 1.00 0.00 O ATOM 1104 CB GLU A 72 2.498 11.977 1.555 1.00 0.00 C ATOM 1105 CG GLU A 72 2.473 13.475 1.303 1.00 0.00 C ATOM 1106 CD GLU A 72 3.859 14.057 1.107 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.660 13.448 0.366 1.00 0.00 O ATOM 1108 OE2 GLU A 72 4.145 15.122 1.694 1.00 0.00 O ATOM 0 H GLU A 72 1.021 11.470 3.459 1.00 0.00 H new ATOM 0 HA GLU A 72 0.499 11.947 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.852 11.793 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.217 11.515 0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.868 13.681 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.989 13.973 2.143 1.00 0.00 H new ATOM 1115 N VAL A 73 1.507 8.905 1.407 1.00 0.00 N ATOM 1116 CA VAL A 73 1.685 7.578 0.831 1.00 0.00 C ATOM 1117 C VAL A 73 0.414 6.744 0.971 1.00 0.00 C ATOM 1118 O VAL A 73 0.139 5.872 0.147 1.00 0.00 O ATOM 1119 CB VAL A 73 2.853 6.827 1.495 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.160 5.541 0.743 1.00 0.00 C ATOM 1121 CG2 VAL A 73 4.086 7.717 1.571 1.00 0.00 C ATOM 0 H VAL A 73 1.551 8.933 2.426 1.00 0.00 H new ATOM 0 HA VAL A 73 1.910 7.720 -0.226 1.00 0.00 H new ATOM 0 HB VAL A 73 2.560 6.564 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.989 5.025 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.280 4.898 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.432 5.777 -0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.902 7.169 2.043 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.383 8.014 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.857 8.606 2.159 1.00 0.00 H new ATOM 1131 N SER A 74 -0.355 7.017 2.020 1.00 0.00 N ATOM 1132 CA SER A 74 -1.596 6.291 2.267 1.00 0.00 C ATOM 1133 C SER A 74 -2.556 6.434 1.090 1.00 0.00 C ATOM 1134 O SER A 74 -3.246 5.483 0.720 1.00 0.00 O ATOM 1135 CB SER A 74 -2.261 6.800 3.547 1.00 0.00 C ATOM 1136 OG SER A 74 -2.997 5.770 4.184 1.00 0.00 O ATOM 0 H SER A 74 -0.141 7.735 2.712 1.00 0.00 H new ATOM 0 HA SER A 74 -1.352 5.235 2.386 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.501 7.183 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.924 7.632 3.310 1.00 0.00 H new ATOM 0 HG SER A 74 -3.411 6.120 5.000 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.595 7.626 0.506 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.471 7.893 -0.630 1.00 0.00 C ATOM 1144 C GLU A 75 -3.004 7.133 -1.867 1.00 0.00 C ATOM 1145 O GLU A 75 -3.811 6.554 -2.593 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.514 9.393 -0.925 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.623 9.792 -1.885 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.832 11.293 -1.944 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -3.830 12.034 -1.867 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -5.996 11.726 -2.068 1.00 0.00 O ATOM 0 H GLU A 75 -2.031 8.423 0.800 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.474 7.551 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.643 9.936 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.555 9.701 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.385 9.423 -2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.553 9.311 -1.580 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.695 7.139 -2.100 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.121 6.450 -3.250 1.00 0.00 C ATOM 1159 C PHE A 76 -1.288 4.939 -3.118 1.00 0.00 C ATOM 1160 O PHE A 76 -1.572 4.249 -4.096 1.00 0.00 O ATOM 1161 CB PHE A 76 0.362 6.800 -3.392 1.00 0.00 C ATOM 1162 CG PHE A 76 0.949 6.399 -4.715 1.00 0.00 C ATOM 1163 CD1 PHE A 76 1.370 5.098 -4.935 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.080 7.324 -5.738 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.911 4.724 -6.151 1.00 0.00 C ATOM 1166 CE2 PHE A 76 1.621 6.957 -6.957 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.037 5.656 -7.164 1.00 0.00 C ATOM 0 H PHE A 76 -1.013 7.613 -1.508 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.653 6.780 -4.143 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.488 7.874 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.920 6.312 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.274 4.366 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.756 8.342 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.235 3.706 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.718 7.687 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.460 5.368 -8.115 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.110 4.433 -1.902 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.241 3.004 -1.642 1.00 0.00 C ATOM 1179 C PHE A 77 -2.643 2.514 -1.989 1.00 0.00 C ATOM 1180 O PHE A 77 -2.807 1.516 -2.688 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.930 2.700 -0.175 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.789 1.234 0.118 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.236 0.496 -0.451 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.683 0.594 0.962 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.368 -0.854 -0.184 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.556 -0.755 1.233 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.530 -1.480 0.660 1.00 0.00 C ATOM 0 H PHE A 77 -0.875 4.991 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.525 2.478 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.007 3.208 0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.723 3.112 0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.940 0.981 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.488 1.156 1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.171 -1.418 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.259 -1.242 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.429 -2.534 0.871 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.650 3.225 -1.493 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.039 2.863 -1.748 1.00 0.00 C ATOM 1199 C LEU A 78 -5.394 3.064 -3.218 1.00 0.00 C ATOM 1200 O LEU A 78 -6.231 2.349 -3.769 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.974 3.696 -0.868 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.221 3.128 0.532 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.099 4.221 1.584 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.589 2.466 0.607 1.00 0.00 C ATOM 0 H LEU A 78 -3.530 4.055 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.164 1.808 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.558 4.699 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.933 3.798 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.461 2.372 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.278 3.797 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.097 4.649 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.834 5.001 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.746 2.068 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.362 3.201 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.640 1.653 -0.118 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.750 4.042 -3.847 1.00 0.00 N ATOM 1217 CA TYR A 79 -4.998 4.339 -5.254 1.00 0.00 C ATOM 1218 C TYR A 79 -4.623 3.151 -6.135 1.00 0.00 C ATOM 1219 O TYR A 79 -5.276 2.883 -7.143 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.207 5.576 -5.682 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.895 6.396 -6.750 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -4.851 6.011 -8.084 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.589 7.554 -6.424 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.478 6.758 -9.064 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.220 8.306 -7.397 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.160 7.904 -8.715 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.787 8.650 -9.687 1.00 0.00 O ATOM 0 H TYR A 79 -4.053 4.642 -3.406 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.063 4.537 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.032 6.205 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.230 5.263 -6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.318 5.113 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.636 7.872 -5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.434 6.446 -10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.757 9.203 -7.127 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.223 9.425 -9.274 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.566 2.444 -5.749 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.104 1.286 -6.505 1.00 0.00 C ATOM 1239 C LEU A 80 -4.103 0.137 -6.408 1.00 0.00 C ATOM 1240 O LEU A 80 -4.308 -0.604 -7.370 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.736 0.830 -5.994 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.639 1.895 -6.040 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.451 1.582 -5.027 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.055 1.998 -7.440 1.00 0.00 C ATOM 0 H LEU A 80 -3.013 2.653 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.016 1.579 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.845 0.487 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.413 -0.028 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.081 2.857 -5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.223 2.350 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.021 1.560 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.891 0.611 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.724 2.760 -7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.372 1.037 -7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.842 2.270 -8.143 1.00 0.00 H new ATOM 1256 N LEU A 81 -4.725 -0.004 -5.242 1.00 0.00 N ATOM 1257 CA LEU A 81 -5.702 -1.062 -5.020 1.00 0.00 C ATOM 1258 C LEU A 81 -6.884 -0.921 -5.975 1.00 0.00 C ATOM 1259 O LEU A 81 -7.495 -1.913 -6.371 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.196 -1.033 -3.572 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.227 -1.624 -2.546 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.579 -1.150 -1.145 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.241 -3.144 -2.616 1.00 0.00 C ATOM 0 H LEU A 81 -4.569 0.602 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.215 -2.018 -5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.407 0.000 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.139 -1.577 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.221 -1.278 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.879 -1.580 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.518 -0.063 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.592 -1.467 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.546 -3.549 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.246 -3.509 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.940 -3.465 -3.613 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.200 0.317 -6.340 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.308 0.587 -7.248 1.00 0.00 C ATOM 1277 C GLN A 82 -7.885 0.382 -8.699 1.00 0.00 C ATOM 1278 O GLN A 82 -8.632 -0.179 -9.500 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.820 2.014 -7.051 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.283 2.192 -7.424 1.00 0.00 C ATOM 1281 CD GLN A 82 -10.816 3.563 -7.055 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.062 4.445 -6.645 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.123 3.748 -7.199 1.00 0.00 N ATOM 0 H GLN A 82 -6.704 1.149 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.111 -0.114 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.682 2.300 -6.008 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.215 2.694 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.402 2.036 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.877 1.428 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.711 2.988 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.539 4.650 -6.966 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.682 0.840 -9.030 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.160 0.707 -10.385 1.00 0.00 C ATOM 1294 C GLN A 83 -5.826 -0.747 -10.699 1.00 0.00 C ATOM 1295 O GLN A 83 -6.148 -1.252 -11.775 1.00 0.00 O ATOM 1296 CB GLN A 83 -4.915 1.579 -10.563 1.00 0.00 C ATOM 1297 CG GLN A 83 -4.807 2.212 -11.940 1.00 0.00 C ATOM 1298 CD GLN A 83 -3.458 2.861 -12.179 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -3.377 4.036 -12.536 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -2.390 2.098 -11.983 1.00 0.00 N ATOM 0 H GLN A 83 -6.051 1.306 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.931 1.042 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.923 2.367 -9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.028 0.973 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.979 1.450 -12.700 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.591 2.960 -12.054 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.503 1.129 -11.687 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.456 2.481 -12.128 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.178 -1.418 -9.751 1.00 0.00 N ATOM 1310 CA LEU A 84 -4.799 -2.815 -9.925 1.00 0.00 C ATOM 1311 C LEU A 84 -6.025 -3.727 -9.925 1.00 0.00 C ATOM 1312 O LEU A 84 -5.939 -4.894 -10.306 1.00 0.00 O ATOM 1313 CB LEU A 84 -3.832 -3.243 -8.820 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.368 -2.870 -9.060 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -1.504 -3.324 -7.894 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -1.872 -3.477 -10.363 1.00 0.00 C ATOM 0 H LEU A 84 -4.905 -1.016 -8.854 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.305 -2.909 -10.892 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.156 -2.794 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.900 -4.324 -8.697 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.296 -1.785 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.466 -3.050 -8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.846 -2.842 -6.978 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.580 -4.406 -7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.829 -3.202 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.958 -4.563 -10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.473 -3.102 -11.191 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.165 -3.192 -9.492 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.403 -3.963 -9.444 1.00 0.00 C ATOM 1330 C ALA A 85 -8.704 -4.618 -10.789 1.00 0.00 C ATOM 1331 O ALA A 85 -9.372 -5.650 -10.850 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.561 -3.072 -9.021 1.00 0.00 C ATOM 0 H ALA A 85 -7.256 -2.228 -9.170 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.275 -4.756 -8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.479 -3.659 -8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.360 -2.659 -8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.675 -2.259 -9.738 1.00 0.00 H new ATOM 1338 N ASP A 86 -8.206 -4.015 -11.864 1.00 0.00 N ATOM 1339 CA ASP A 86 -8.422 -4.545 -13.207 1.00 0.00 C ATOM 1340 C ASP A 86 -7.896 -5.971 -13.323 1.00 0.00 C ATOM 1341 O ASP A 86 -8.425 -6.779 -14.087 1.00 0.00 O ATOM 1342 CB ASP A 86 -7.741 -3.651 -14.244 1.00 0.00 C ATOM 1343 CG ASP A 86 -8.670 -2.582 -14.786 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -9.764 -2.938 -15.273 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -8.303 -1.390 -14.723 1.00 0.00 O ATOM 0 H ASP A 86 -7.651 -3.160 -11.832 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.495 -4.559 -13.397 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.869 -3.176 -13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.379 -4.266 -15.068 1.00 0.00 H new ATOM 1350 N ALA A 87 -6.852 -6.277 -12.560 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.254 -7.606 -12.577 1.00 0.00 C ATOM 1352 C ALA A 87 -6.689 -8.420 -11.364 1.00 0.00 C ATOM 1353 O ALA A 87 -6.831 -9.640 -11.440 1.00 0.00 O ATOM 1354 CB ALA A 87 -4.737 -7.503 -12.630 1.00 0.00 C ATOM 0 H ALA A 87 -6.402 -5.621 -11.921 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.603 -8.122 -13.472 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.305 -8.503 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.440 -6.968 -13.532 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.378 -6.963 -11.754 1.00 0.00 H new ATOM 1360 N TYR A 88 -6.900 -7.736 -10.244 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.320 -8.395 -9.013 1.00 0.00 C ATOM 1362 C TYR A 88 -8.762 -8.881 -9.120 1.00 0.00 C ATOM 1363 O TYR A 88 -9.673 -8.098 -9.391 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.178 -7.441 -7.826 1.00 0.00 C ATOM 1365 CG TYR A 88 -5.796 -7.441 -7.210 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -4.786 -6.638 -7.725 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.503 -8.242 -6.115 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.522 -6.636 -7.166 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.242 -8.245 -5.549 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.255 -7.441 -6.079 1.00 0.00 C ATOM 1371 OH TYR A 88 -1.998 -7.441 -5.519 1.00 0.00 O ATOM 0 H TYR A 88 -6.787 -6.725 -10.164 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.675 -9.260 -8.855 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.421 -6.430 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.907 -7.713 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.992 -6.005 -8.576 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.273 -8.874 -5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.747 -6.007 -7.579 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.031 -8.874 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.977 -8.062 -4.761 1.00 0.00 H new ATOM 1381 N VAL A 89 -8.961 -10.177 -8.906 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.293 -10.767 -8.979 1.00 0.00 C ATOM 1383 C VAL A 89 -10.883 -10.967 -7.588 1.00 0.00 C ATOM 1384 O VAL A 89 -11.654 -11.898 -7.357 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.268 -12.120 -9.714 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -9.994 -11.919 -11.195 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.234 -13.047 -9.093 1.00 0.00 C ATOM 0 H VAL A 89 -8.218 -10.839 -8.681 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.917 -10.070 -9.538 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.248 -12.586 -9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.980 -12.886 -11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.777 -11.296 -11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.028 -11.430 -11.323 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.231 -13.998 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.247 -12.589 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.482 -13.219 -8.046 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.516 -10.085 -6.662 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.009 -10.163 -5.293 1.00 0.00 C ATOM 1399 C ASP A 90 -11.434 -8.789 -4.789 1.00 0.00 C ATOM 1400 O ASP A 90 -12.504 -8.637 -4.198 1.00 0.00 O ATOM 1401 CB ASP A 90 -9.935 -10.747 -4.373 1.00 0.00 C ATOM 1402 CG ASP A 90 -9.403 -12.075 -4.875 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -8.617 -12.071 -5.846 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -9.770 -13.119 -4.297 1.00 0.00 O ATOM 0 H ASP A 90 -9.878 -9.308 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.880 -10.819 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.111 -10.039 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.349 -10.879 -3.374 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.590 -7.789 -5.024 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.878 -6.427 -4.593 1.00 0.00 C ATOM 1411 C LEU A 91 -11.825 -5.736 -5.568 1.00 0.00 C ATOM 1412 O LEU A 91 -11.537 -5.628 -6.760 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.583 -5.624 -4.467 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.587 -6.159 -3.436 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.160 -5.986 -3.931 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -8.778 -5.459 -2.099 1.00 0.00 C ATOM 0 H LEU A 91 -9.700 -7.897 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.362 -6.477 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.095 -5.596 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.835 -4.596 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.774 -7.224 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.466 -6.372 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.030 -6.533 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.959 -4.928 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.062 -5.851 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.618 -4.388 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.791 -5.635 -1.737 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.957 -5.267 -5.053 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.950 -4.583 -5.874 1.00 0.00 C ATOM 1430 C ARG A 92 -15.143 -4.139 -5.029 1.00 0.00 C ATOM 1431 O ARG A 92 -15.527 -2.969 -5.055 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.421 -5.491 -7.014 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.458 -4.799 -8.368 1.00 0.00 C ATOM 1434 CD ARG A 92 -13.935 -5.703 -9.473 1.00 0.00 C ATOM 1435 NE ARG A 92 -13.217 -4.952 -10.501 1.00 0.00 N ATOM 1436 CZ ARG A 92 -12.781 -5.486 -11.639 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -12.988 -6.771 -11.901 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -12.137 -4.733 -12.520 1.00 0.00 N ATOM 0 H ARG A 92 -13.210 -5.348 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.481 -3.696 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.760 -6.356 -7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.417 -5.867 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.481 -4.499 -8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.860 -3.889 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.272 -6.454 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.768 -6.237 -9.930 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.040 -3.961 -10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.484 -7.355 -11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.651 -7.174 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.976 -3.745 -12.325 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.803 -5.142 -13.393 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.748 -5.067 -4.264 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.901 -4.756 -3.411 1.00 0.00 C ATOM 1454 C PRO A 93 -16.555 -3.739 -2.328 1.00 0.00 C ATOM 1455 O PRO A 93 -17.407 -2.960 -1.899 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.267 -6.105 -2.777 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.604 -7.133 -3.630 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.361 -6.484 -4.166 1.00 0.00 C ATOM 0 HA PRO A 93 -17.716 -4.310 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.917 -6.163 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.347 -6.249 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.361 -8.024 -3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.260 -7.450 -4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.511 -6.626 -3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.077 -6.894 -5.135 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.302 -3.754 -1.889 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.842 -2.834 -0.855 1.00 0.00 C ATOM 1468 C TRP A 94 -14.624 -1.436 -1.425 1.00 0.00 C ATOM 1469 O TRP A 94 -15.060 -0.443 -0.844 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.545 -3.349 -0.226 1.00 0.00 C ATOM 1471 CG TRP A 94 -13.031 -2.478 0.878 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.649 -2.204 2.065 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.790 -1.763 0.898 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.869 -1.364 2.821 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.722 -1.079 2.127 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.729 -1.635 -0.003 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.635 -0.280 2.476 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.651 -0.842 0.345 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.612 -0.175 1.575 1.00 0.00 C ATOM 0 H TRP A 94 -14.586 -4.393 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.613 -2.776 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.712 -4.354 0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.782 -3.430 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.611 -2.592 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.105 -1.010 3.748 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.751 -2.146 -0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.602 0.237 3.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.826 -0.736 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.755 0.436 1.818 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.948 -1.368 -2.567 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.671 -0.092 -3.218 1.00 0.00 C ATOM 1492 C LEU A 95 -14.963 0.670 -3.498 1.00 0.00 C ATOM 1493 O LEU A 95 -14.984 1.901 -3.494 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.906 -0.317 -4.524 1.00 0.00 C ATOM 1495 CG LEU A 95 -11.590 -1.080 -4.378 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -11.297 -1.880 -5.637 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.448 -0.120 -4.077 1.00 0.00 C ATOM 0 H LEU A 95 -13.582 -2.182 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.058 0.505 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.549 -0.861 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.698 0.652 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.684 -1.774 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.356 -2.417 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.103 -2.593 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.222 -1.204 -6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.519 -0.680 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.352 0.598 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.654 0.411 -3.148 1.00 0.00 H new ATOM 1509 N LEU A 96 -16.040 -0.070 -3.741 1.00 0.00 N ATOM 1510 CA LEU A 96 -17.336 0.535 -4.023 1.00 0.00 C ATOM 1511 C LEU A 96 -18.084 0.848 -2.731 1.00 0.00 C ATOM 1512 O LEU A 96 -18.866 1.797 -2.670 1.00 0.00 O ATOM 1513 CB LEU A 96 -18.176 -0.396 -4.900 1.00 0.00 C ATOM 1514 CG LEU A 96 -17.823 -0.377 -6.387 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.997 -1.760 -6.995 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -18.677 0.642 -7.124 1.00 0.00 C ATOM 0 H LEU A 96 -16.040 -1.090 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.164 1.470 -4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -18.067 -1.415 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.226 -0.126 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.777 -0.087 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.741 -1.727 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.342 -2.467 -6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -19.033 -2.079 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.412 0.642 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.730 0.382 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.502 1.633 -6.706 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.838 0.046 -1.701 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.489 0.237 -0.410 1.00 0.00 C ATOM 1530 C GLU A 97 -17.953 1.482 0.290 1.00 0.00 C ATOM 1531 O GLU A 97 -18.711 2.390 0.629 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.283 -0.991 0.477 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.271 -2.113 0.204 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.146 -2.427 1.402 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.662 -3.112 2.327 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -21.315 -1.987 1.415 1.00 0.00 O ATOM 0 H GLU A 97 -17.192 -0.743 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.556 0.372 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.270 -1.367 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.366 -0.692 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -19.903 -1.837 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -18.724 -3.010 -0.087 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.641 1.515 0.504 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.004 2.649 1.164 1.00 0.00 C ATOM 1545 C ILE A 98 -16.087 3.905 0.305 1.00 0.00 C ATOM 1546 O ILE A 98 -16.110 5.022 0.822 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.526 2.356 1.484 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.794 1.870 0.230 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.419 1.327 2.600 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.463 2.553 0.006 1.00 0.00 C ATOM 0 H ILE A 98 -16.000 0.771 0.230 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.544 2.814 2.096 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.054 3.279 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -13.633 0.795 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.430 2.036 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.368 1.131 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -14.907 1.710 3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.905 0.402 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.000 2.160 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.619 3.626 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -11.810 2.365 0.858 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.130 3.716 -1.011 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.209 4.844 -1.920 1.00 0.00 C ATOM 1564 C GLY A 99 -14.963 5.706 -1.883 1.00 0.00 C ATOM 1565 O GLY A 99 -14.889 6.671 -1.123 1.00 0.00 O ATOM 0 H GLY A 99 -16.112 2.802 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.364 4.479 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.076 5.453 -1.664 1.00 0.00 H new ATOM 1569 N PHE A 100 -13.981 5.357 -2.708 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.731 6.105 -2.768 1.00 0.00 C ATOM 1571 C PHE A 100 -12.823 7.239 -3.784 1.00 0.00 C ATOM 1572 O PHE A 100 -13.175 7.021 -4.943 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.571 5.174 -3.129 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.233 5.673 -2.663 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.757 5.343 -1.405 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.453 6.472 -3.484 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.526 5.801 -0.974 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.221 6.932 -3.058 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.757 6.596 -1.802 1.00 0.00 C ATOM 0 H PHE A 100 -14.027 4.561 -3.344 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.548 6.537 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.755 4.192 -2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.544 5.043 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.354 4.721 -0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.812 6.738 -4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.166 5.538 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.622 7.554 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.795 6.954 -1.467 1.00 0.00 H new