USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 7 ASN : amide:sc= -1.62 K(o=-6.8,f=-4.5) USER MOD Set 1.2: A 36 GLN : amide:sc= -3.69! C(o=-6.8!,f=-4.5!) USER MOD Set 1.3: A 61 LYS NZ :NH3+ -139:sc= -1.53 (180deg=-1.22) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.399 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 13 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-5.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -4:sc= 1.16 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= 0.073 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.56! C(o=-2.6!,f=-6.1!) USER MOD Single : A 45 SER OG : rot 173:sc= -0.265 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 48 THR OG1 : rot -150:sc= -2.66 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.99!) USER MOD Single : A 57 ASN : amide:sc= -6.02! C(o=-6!,f=-9.1!) USER MOD Single : A 63 ASN : amide:sc= -0.0498 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.926 0.542 16.444 1.00 0.00 N ATOM 2 CA GLY A 1 -11.522 1.966 16.622 1.00 0.00 C ATOM 3 C GLY A 1 -10.245 2.236 15.823 1.00 0.00 C ATOM 4 O GLY A 1 -10.291 2.579 14.659 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.794 0.357 16.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.101 0.354 15.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.165 -0.080 16.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.321 2.627 16.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.355 2.179 17.678 1.00 0.00 H new ATOM 10 N SER A 2 -9.105 2.085 16.440 1.00 0.00 N ATOM 11 CA SER A 2 -7.826 2.334 15.715 1.00 0.00 C ATOM 12 C SER A 2 -7.622 1.279 14.623 1.00 0.00 C ATOM 13 O SER A 2 -7.985 0.133 14.792 1.00 0.00 O ATOM 14 CB SER A 2 -6.737 2.220 16.781 1.00 0.00 C ATOM 15 OG SER A 2 -5.800 3.273 16.616 1.00 0.00 O ATOM 0 H SER A 2 -9.004 1.800 17.414 1.00 0.00 H new ATOM 0 HA SER A 2 -7.813 3.306 15.223 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.181 2.266 17.776 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.234 1.256 16.701 1.00 0.00 H new ATOM 0 HG SER A 2 -5.103 3.201 17.301 1.00 0.00 H new ATOM 21 N PRO A 3 -7.046 1.710 13.534 1.00 0.00 N ATOM 22 CA PRO A 3 -6.806 0.758 12.418 1.00 0.00 C ATOM 23 C PRO A 3 -5.973 -0.432 12.903 1.00 0.00 C ATOM 24 O PRO A 3 -5.216 -0.329 13.848 1.00 0.00 O ATOM 25 CB PRO A 3 -6.031 1.578 11.393 1.00 0.00 C ATOM 26 CG PRO A 3 -5.369 2.654 12.186 1.00 0.00 C ATOM 27 CD PRO A 3 -6.264 2.944 13.361 1.00 0.00 C ATOM 0 HA PRO A 3 -7.727 0.343 12.009 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.298 0.965 10.869 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.696 1.996 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.382 2.335 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.226 3.548 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.685 3.177 14.255 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.910 3.801 13.168 1.00 0.00 H new ATOM 35 N LEU A 4 -6.107 -1.562 12.263 1.00 0.00 N ATOM 36 CA LEU A 4 -5.322 -2.756 12.688 1.00 0.00 C ATOM 37 C LEU A 4 -3.823 -2.475 12.562 1.00 0.00 C ATOM 38 O LEU A 4 -3.016 -3.015 13.293 1.00 0.00 O ATOM 39 CB LEU A 4 -5.742 -3.869 11.727 1.00 0.00 C ATOM 40 CG LEU A 4 -7.252 -4.089 11.833 1.00 0.00 C ATOM 41 CD1 LEU A 4 -7.636 -5.357 11.067 1.00 0.00 C ATOM 42 CD2 LEU A 4 -7.643 -4.242 13.303 1.00 0.00 C ATOM 0 H LEU A 4 -6.725 -1.710 11.465 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.508 -3.024 13.728 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.473 -3.603 10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.211 -4.791 11.966 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.776 -3.234 11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.712 -5.515 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.357 -5.248 10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.113 -6.213 11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.719 -4.399 13.379 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.121 -5.097 13.731 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.369 -3.339 13.848 1.00 0.00 H new ATOM 54 N GLN A 5 -3.443 -1.632 11.640 1.00 0.00 N ATOM 55 CA GLN A 5 -1.996 -1.316 11.470 1.00 0.00 C ATOM 56 C GLN A 5 -1.434 -0.702 12.754 1.00 0.00 C ATOM 57 O GLN A 5 -0.288 -0.905 13.101 1.00 0.00 O ATOM 58 CB GLN A 5 -1.944 -0.305 10.324 1.00 0.00 C ATOM 59 CG GLN A 5 -2.423 -0.971 9.032 1.00 0.00 C ATOM 60 CD GLN A 5 -2.394 0.047 7.892 1.00 0.00 C ATOM 61 OE1 GLN A 5 -2.279 1.235 8.125 1.00 0.00 O ATOM 62 NE2 GLN A 5 -2.493 -0.368 6.658 1.00 0.00 N ATOM 0 H GLN A 5 -4.071 -1.149 10.998 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.401 -2.204 11.257 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.571 0.556 10.556 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.927 0.066 10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.785 -1.821 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.434 -1.358 9.163 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.589 -1.364 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.474 0.304 5.891 1.00 0.00 H new ATOM 71 N ASP A 6 -2.234 0.047 13.463 1.00 0.00 N ATOM 72 CA ASP A 6 -1.746 0.672 14.724 1.00 0.00 C ATOM 73 C ASP A 6 -1.956 -0.282 15.904 1.00 0.00 C ATOM 74 O ASP A 6 -1.740 0.071 17.046 1.00 0.00 O ATOM 75 CB ASP A 6 -2.595 1.932 14.896 1.00 0.00 C ATOM 76 CG ASP A 6 -2.323 2.892 13.736 1.00 0.00 C ATOM 77 OD1 ASP A 6 -1.333 2.695 13.051 1.00 0.00 O ATOM 78 OD2 ASP A 6 -3.109 3.807 13.554 1.00 0.00 O ATOM 0 H ASP A 6 -3.204 0.253 13.223 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.681 0.900 14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.653 1.670 14.925 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.360 2.415 15.845 1.00 0.00 H new ATOM 83 N ASN A 7 -2.374 -1.489 15.635 1.00 0.00 N ATOM 84 CA ASN A 7 -2.596 -2.464 16.742 1.00 0.00 C ATOM 85 C ASN A 7 -1.280 -3.154 17.111 1.00 0.00 C ATOM 86 O ASN A 7 -0.753 -3.950 16.361 1.00 0.00 O ATOM 87 CB ASN A 7 -3.594 -3.478 16.181 1.00 0.00 C ATOM 88 CG ASN A 7 -4.425 -4.062 17.325 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.326 -3.420 17.827 1.00 0.00 O ATOM 90 ND2 ASN A 7 -4.158 -5.262 17.763 1.00 0.00 N ATOM 0 H ASN A 7 -2.571 -1.842 14.699 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.967 -1.984 17.647 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.246 -2.997 15.452 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.064 -4.275 15.658 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.706 -5.660 18.526 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.402 -5.802 17.342 1.00 0.00 H new ATOM 97 N LEU A 8 -0.744 -2.853 18.263 1.00 0.00 N ATOM 98 CA LEU A 8 0.538 -3.491 18.680 1.00 0.00 C ATOM 99 C LEU A 8 0.294 -4.460 19.840 1.00 0.00 C ATOM 100 O LEU A 8 -0.665 -4.336 20.574 1.00 0.00 O ATOM 101 CB LEU A 8 1.429 -2.332 19.128 1.00 0.00 C ATOM 102 CG LEU A 8 1.890 -1.540 17.904 1.00 0.00 C ATOM 103 CD1 LEU A 8 0.751 -0.642 17.418 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.096 -0.676 18.280 1.00 0.00 C ATOM 0 H LEU A 8 -1.138 -2.193 18.933 1.00 0.00 H new ATOM 0 HA LEU A 8 0.993 -4.068 17.875 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.882 -1.681 19.810 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.292 -2.713 19.674 1.00 0.00 H new ATOM 0 HG LEU A 8 2.172 -2.231 17.109 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.080 -0.077 16.545 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.108 -1.257 17.150 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.469 0.049 18.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.425 -0.111 17.408 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.815 0.015 19.075 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.908 -1.316 18.626 1.00 0.00 H new ATOM 116 N VAL A 9 1.157 -5.426 20.009 1.00 0.00 N ATOM 117 CA VAL A 9 0.974 -6.402 21.123 1.00 0.00 C ATOM 118 C VAL A 9 2.327 -6.963 21.565 1.00 0.00 C ATOM 119 O VAL A 9 3.341 -6.736 20.935 1.00 0.00 O ATOM 120 CB VAL A 9 0.104 -7.518 20.543 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.323 -7.006 20.343 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.677 -7.974 19.198 1.00 0.00 C ATOM 0 H VAL A 9 1.979 -5.582 19.425 1.00 0.00 H new ATOM 0 HA VAL A 9 0.516 -5.940 21.998 1.00 0.00 H new ATOM 0 HB VAL A 9 0.093 -8.360 21.235 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.941 -7.803 19.930 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.733 -6.689 21.302 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.313 -6.161 19.655 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.054 -8.769 18.788 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.693 -7.132 18.505 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.692 -8.345 19.342 1.00 0.00 H new ATOM 132 N ILE A 10 2.348 -7.696 22.643 1.00 0.00 N ATOM 133 CA ILE A 10 3.632 -8.277 23.127 1.00 0.00 C ATOM 134 C ILE A 10 3.598 -9.802 22.993 1.00 0.00 C ATOM 135 O ILE A 10 2.572 -10.427 23.179 1.00 0.00 O ATOM 136 CB ILE A 10 3.723 -7.873 24.599 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.625 -6.351 24.718 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.059 -8.345 25.175 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.497 -5.962 26.192 1.00 0.00 C ATOM 0 H ILE A 10 1.530 -7.918 23.211 1.00 0.00 H new ATOM 0 HA ILE A 10 4.489 -7.922 22.555 1.00 0.00 H new ATOM 0 HB ILE A 10 2.905 -8.333 25.153 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.509 -5.884 24.283 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.764 -5.986 24.158 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.125 -8.057 26.224 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.129 -9.430 25.091 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.877 -7.885 24.621 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.427 -4.878 26.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.600 -6.418 26.612 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.372 -6.313 26.738 1.00 0.00 H new ATOM 151 N ALA A 11 4.707 -10.406 22.669 1.00 0.00 N ATOM 152 CA ALA A 11 4.728 -11.889 22.524 1.00 0.00 C ATOM 153 C ALA A 11 4.829 -12.555 23.899 1.00 0.00 C ATOM 154 O ALA A 11 5.845 -12.481 24.560 1.00 0.00 O ATOM 155 CB ALA A 11 5.974 -12.187 21.690 1.00 0.00 C ATOM 0 H ALA A 11 5.598 -9.939 22.499 1.00 0.00 H new ATOM 0 HA ALA A 11 3.822 -12.271 22.054 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.061 -13.263 21.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.893 -11.689 20.724 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.858 -11.821 22.213 1.00 0.00 H new ATOM 161 N LEU A 12 3.789 -13.213 24.331 1.00 0.00 N ATOM 162 CA LEU A 12 3.841 -13.889 25.658 1.00 0.00 C ATOM 163 C LEU A 12 4.888 -15.004 25.621 1.00 0.00 C ATOM 164 O LEU A 12 5.455 -15.377 26.628 1.00 0.00 O ATOM 165 CB LEU A 12 2.442 -14.468 25.867 1.00 0.00 C ATOM 166 CG LEU A 12 1.490 -13.356 26.315 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.031 -12.704 27.588 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.381 -12.303 25.209 1.00 0.00 C ATOM 0 H LEU A 12 2.909 -13.312 23.825 1.00 0.00 H new ATOM 0 HA LEU A 12 4.117 -13.210 26.465 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.082 -14.919 24.942 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.473 -15.259 26.616 1.00 0.00 H new ATOM 0 HG LEU A 12 0.505 -13.778 26.514 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.354 -11.912 27.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.110 -13.454 28.375 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.016 -12.281 27.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.703 -11.511 25.527 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.366 -11.880 25.011 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.996 -12.767 24.301 1.00 0.00 H new ATOM 180 N HIS A 13 5.146 -15.533 24.457 1.00 0.00 N ATOM 181 CA HIS A 13 6.156 -16.622 24.332 1.00 0.00 C ATOM 182 C HIS A 13 6.688 -16.669 22.897 1.00 0.00 C ATOM 183 O HIS A 13 6.023 -16.257 21.969 1.00 0.00 O ATOM 184 CB HIS A 13 5.392 -17.903 24.665 1.00 0.00 C ATOM 185 CG HIS A 13 5.199 -17.999 26.153 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.057 -17.530 26.783 1.00 0.00 N ATOM 187 CD2 HIS A 13 5.995 -18.506 27.151 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.196 -17.763 28.102 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.360 -18.356 28.380 1.00 0.00 N ATOM 0 H HIS A 13 4.699 -15.257 23.583 1.00 0.00 H new ATOM 0 HA HIS A 13 7.014 -16.479 24.989 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.425 -17.904 24.161 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.941 -18.772 24.302 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.967 -18.953 27.004 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.456 -17.502 28.845 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.708 -18.638 29.296 1.00 0.00 H new ATOM 197 N SER A 14 7.878 -17.165 22.702 1.00 0.00 N ATOM 198 CA SER A 14 8.438 -17.228 21.321 1.00 0.00 C ATOM 199 C SER A 14 7.602 -18.178 20.458 1.00 0.00 C ATOM 200 O SER A 14 7.125 -19.193 20.923 1.00 0.00 O ATOM 201 CB SER A 14 9.856 -17.771 21.492 1.00 0.00 C ATOM 202 OG SER A 14 9.800 -19.160 21.781 1.00 0.00 O ATOM 0 H SER A 14 8.486 -17.529 23.436 1.00 0.00 H new ATOM 0 HA SER A 14 8.431 -16.256 20.827 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.434 -17.601 20.584 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.365 -17.241 22.297 1.00 0.00 H new ATOM 0 HG SER A 14 10.710 -19.509 21.889 1.00 0.00 H new ATOM 208 N TYR A 15 7.421 -17.862 19.203 1.00 0.00 N ATOM 209 CA TYR A 15 6.617 -18.759 18.325 1.00 0.00 C ATOM 210 C TYR A 15 7.541 -19.624 17.462 1.00 0.00 C ATOM 211 O TYR A 15 8.716 -19.347 17.324 1.00 0.00 O ATOM 212 CB TYR A 15 5.781 -17.828 17.448 1.00 0.00 C ATOM 213 CG TYR A 15 4.953 -18.655 16.494 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.750 -19.223 16.928 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.391 -18.861 15.180 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.983 -19.997 16.048 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.623 -19.634 14.300 1.00 0.00 C ATOM 218 CZ TYR A 15 3.420 -20.201 14.733 1.00 0.00 C ATOM 219 OH TYR A 15 2.665 -20.964 13.866 1.00 0.00 O ATOM 0 H TYR A 15 7.793 -17.027 18.751 1.00 0.00 H new ATOM 0 HA TYR A 15 5.990 -19.439 18.902 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.133 -17.209 18.069 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.431 -17.152 16.892 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.413 -19.065 17.942 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.320 -18.424 14.845 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.055 -20.436 16.383 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.960 -19.792 13.286 1.00 0.00 H new ATOM 0 HH TYR A 15 1.896 -21.338 14.344 1.00 0.00 H new ATOM 229 N GLU A 16 7.017 -20.668 16.882 1.00 0.00 N ATOM 230 CA GLU A 16 7.862 -21.551 16.028 1.00 0.00 C ATOM 231 C GLU A 16 7.340 -21.547 14.589 1.00 0.00 C ATOM 232 O GLU A 16 6.181 -21.823 14.348 1.00 0.00 O ATOM 233 CB GLU A 16 7.728 -22.945 16.643 1.00 0.00 C ATOM 234 CG GLU A 16 9.032 -23.318 17.350 1.00 0.00 C ATOM 235 CD GLU A 16 8.725 -24.218 18.548 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.301 -23.693 19.565 1.00 0.00 O ATOM 237 OE2 GLU A 16 8.915 -25.416 18.428 1.00 0.00 O ATOM 0 H GLU A 16 6.040 -20.949 16.962 1.00 0.00 H new ATOM 0 HA GLU A 16 8.900 -21.221 15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.900 -22.964 17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.500 -23.676 15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.699 -23.832 16.658 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.549 -22.417 17.682 1.00 0.00 H new ATOM 244 N PRO A 17 8.219 -21.230 13.679 1.00 0.00 N ATOM 245 CA PRO A 17 7.801 -21.198 12.254 1.00 0.00 C ATOM 246 C PRO A 17 7.734 -22.619 11.686 1.00 0.00 C ATOM 247 O PRO A 17 8.654 -23.081 11.040 1.00 0.00 O ATOM 248 CB PRO A 17 8.895 -20.393 11.563 1.00 0.00 C ATOM 249 CG PRO A 17 10.097 -20.557 12.433 1.00 0.00 C ATOM 250 CD PRO A 17 9.598 -20.745 13.841 1.00 0.00 C ATOM 0 HA PRO A 17 6.812 -20.762 12.114 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.082 -20.764 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.615 -19.344 11.469 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.689 -21.416 12.116 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.744 -19.682 12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.210 -21.463 14.387 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.627 -19.810 14.401 1.00 0.00 H new ATOM 258 N SER A 18 6.655 -23.313 11.920 1.00 0.00 N ATOM 259 CA SER A 18 6.536 -24.702 11.392 1.00 0.00 C ATOM 260 C SER A 18 6.146 -24.667 9.911 1.00 0.00 C ATOM 261 O SER A 18 6.041 -25.690 9.263 1.00 0.00 O ATOM 262 CB SER A 18 5.427 -25.348 12.222 1.00 0.00 C ATOM 263 OG SER A 18 5.839 -25.432 13.578 1.00 0.00 O ATOM 0 H SER A 18 5.852 -22.980 12.453 1.00 0.00 H new ATOM 0 HA SER A 18 7.472 -25.255 11.464 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.511 -24.762 12.145 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.202 -26.343 11.837 1.00 0.00 H new ATOM 0 HG SER A 18 5.128 -25.845 14.111 1.00 0.00 H new ATOM 269 N HIS A 19 5.935 -23.498 9.373 1.00 0.00 N ATOM 270 CA HIS A 19 5.555 -23.397 7.934 1.00 0.00 C ATOM 271 C HIS A 19 6.169 -22.139 7.315 1.00 0.00 C ATOM 272 O HIS A 19 6.738 -21.312 8.000 1.00 0.00 O ATOM 273 CB HIS A 19 4.029 -23.303 7.935 1.00 0.00 C ATOM 274 CG HIS A 19 3.531 -23.229 6.517 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.616 -24.305 5.647 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.939 -22.217 5.804 1.00 0.00 C ATOM 277 CE1 HIS A 19 3.089 -23.917 4.471 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.661 -22.653 4.512 1.00 0.00 N ATOM 0 H HIS A 19 6.009 -22.608 9.866 1.00 0.00 H new ATOM 0 HA HIS A 19 5.911 -24.246 7.350 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.601 -24.170 8.438 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.708 -22.422 8.491 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.722 -21.231 6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.021 -24.551 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.224 -22.122 3.759 1.00 0.00 H new ATOM 286 N ASP A 20 6.060 -21.987 6.024 1.00 0.00 N ATOM 287 CA ASP A 20 6.638 -20.782 5.363 1.00 0.00 C ATOM 288 C ASP A 20 5.697 -19.586 5.527 1.00 0.00 C ATOM 289 O ASP A 20 4.517 -19.668 5.251 1.00 0.00 O ATOM 290 CB ASP A 20 6.767 -21.164 3.889 1.00 0.00 C ATOM 291 CG ASP A 20 7.521 -20.063 3.141 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.741 -20.090 3.157 1.00 0.00 O ATOM 293 OD2 ASP A 20 6.867 -19.210 2.563 1.00 0.00 O ATOM 0 H ASP A 20 5.596 -22.645 5.398 1.00 0.00 H new ATOM 0 HA ASP A 20 7.596 -20.493 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.296 -22.112 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.779 -21.305 3.451 1.00 0.00 H new ATOM 298 N GLY A 21 6.211 -18.473 5.976 1.00 0.00 N ATOM 299 CA GLY A 21 5.345 -17.273 6.156 1.00 0.00 C ATOM 300 C GLY A 21 4.909 -17.173 7.621 1.00 0.00 C ATOM 301 O GLY A 21 3.960 -16.489 7.950 1.00 0.00 O ATOM 0 H GLY A 21 7.191 -18.343 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.887 -16.373 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.470 -17.342 5.509 1.00 0.00 H new ATOM 305 N ASP A 22 5.594 -17.850 8.501 1.00 0.00 N ATOM 306 CA ASP A 22 5.216 -17.790 9.943 1.00 0.00 C ATOM 307 C ASP A 22 6.233 -16.953 10.724 1.00 0.00 C ATOM 308 O ASP A 22 7.397 -16.892 10.380 1.00 0.00 O ATOM 309 CB ASP A 22 5.243 -19.244 10.419 1.00 0.00 C ATOM 310 CG ASP A 22 4.028 -19.987 9.858 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.371 -19.437 8.988 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.775 -21.093 10.307 1.00 0.00 O ATOM 0 H ASP A 22 6.397 -18.441 8.286 1.00 0.00 H new ATOM 0 HA ASP A 22 4.241 -17.327 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.163 -19.728 10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.235 -19.282 11.508 1.00 0.00 H new ATOM 317 N LEU A 23 5.801 -16.308 11.774 1.00 0.00 N ATOM 318 CA LEU A 23 6.741 -15.476 12.578 1.00 0.00 C ATOM 319 C LEU A 23 7.072 -16.183 13.896 1.00 0.00 C ATOM 320 O LEU A 23 6.229 -16.335 14.757 1.00 0.00 O ATOM 321 CB LEU A 23 5.986 -14.172 12.841 1.00 0.00 C ATOM 322 CG LEU A 23 6.957 -13.121 13.383 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.182 -13.040 12.470 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.261 -11.759 13.426 1.00 0.00 C ATOM 0 H LEU A 23 4.838 -16.321 12.110 1.00 0.00 H new ATOM 0 HA LEU A 23 7.687 -15.302 12.065 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.524 -13.815 11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.182 -14.343 13.557 1.00 0.00 H new ATOM 0 HG LEU A 23 7.272 -13.400 14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.874 -12.291 12.855 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.677 -14.010 12.439 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.868 -12.760 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.952 -11.009 13.812 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.947 -11.479 12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.388 -11.817 14.076 1.00 0.00 H new ATOM 336 N GLY A 24 8.293 -16.616 14.058 1.00 0.00 N ATOM 337 CA GLY A 24 8.676 -17.317 15.318 1.00 0.00 C ATOM 338 C GLY A 24 9.300 -16.320 16.297 1.00 0.00 C ATOM 339 O GLY A 24 10.318 -16.588 16.904 1.00 0.00 O ATOM 0 H GLY A 24 9.042 -16.515 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.798 -17.781 15.768 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.383 -18.117 15.099 1.00 0.00 H new ATOM 343 N PHE A 25 8.702 -15.171 16.454 1.00 0.00 N ATOM 344 CA PHE A 25 9.260 -14.152 17.390 1.00 0.00 C ATOM 345 C PHE A 25 9.634 -14.790 18.731 1.00 0.00 C ATOM 346 O PHE A 25 9.337 -15.939 18.990 1.00 0.00 O ATOM 347 CB PHE A 25 8.132 -13.131 17.576 1.00 0.00 C ATOM 348 CG PHE A 25 6.866 -13.831 18.023 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.971 -14.342 17.073 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.583 -13.963 19.389 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.799 -14.987 17.488 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.409 -14.606 19.802 1.00 0.00 C ATOM 353 CZ PHE A 25 4.518 -15.118 18.851 1.00 0.00 C ATOM 0 H PHE A 25 7.847 -14.892 15.972 1.00 0.00 H new ATOM 0 HA PHE A 25 10.171 -13.696 17.001 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.424 -12.385 18.315 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.953 -12.601 16.641 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.185 -14.238 16.020 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.270 -13.569 20.123 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.112 -15.383 16.755 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.191 -14.707 20.855 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.614 -15.614 19.171 1.00 0.00 H new ATOM 363 N GLU A 26 10.289 -14.046 19.583 1.00 0.00 N ATOM 364 CA GLU A 26 10.690 -14.600 20.908 1.00 0.00 C ATOM 365 C GLU A 26 9.739 -14.102 22.001 1.00 0.00 C ATOM 366 O GLU A 26 8.843 -13.318 21.750 1.00 0.00 O ATOM 367 CB GLU A 26 12.104 -14.069 21.147 1.00 0.00 C ATOM 368 CG GLU A 26 13.001 -14.461 19.971 1.00 0.00 C ATOM 369 CD GLU A 26 14.392 -13.859 20.169 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.527 -12.996 21.022 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.300 -14.270 19.464 1.00 0.00 O ATOM 0 H GLU A 26 10.563 -13.078 19.418 1.00 0.00 H new ATOM 0 HA GLU A 26 10.654 -15.689 20.928 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.083 -12.985 21.257 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.505 -14.476 22.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.070 -15.546 19.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.569 -14.105 19.036 1.00 0.00 H new ATOM 378 N LYS A 27 9.930 -14.547 23.213 1.00 0.00 N ATOM 379 CA LYS A 27 9.038 -14.099 24.321 1.00 0.00 C ATOM 380 C LYS A 27 9.292 -12.625 24.643 1.00 0.00 C ATOM 381 O LYS A 27 10.409 -12.217 24.893 1.00 0.00 O ATOM 382 CB LYS A 27 9.413 -14.981 25.512 1.00 0.00 C ATOM 383 CG LYS A 27 8.595 -14.561 26.736 1.00 0.00 C ATOM 384 CD LYS A 27 8.658 -15.663 27.796 1.00 0.00 C ATOM 385 CE LYS A 27 7.638 -15.369 28.898 1.00 0.00 C ATOM 386 NZ LYS A 27 8.435 -14.768 30.005 1.00 0.00 N ATOM 0 H LYS A 27 10.664 -15.201 23.484 1.00 0.00 H new ATOM 0 HA LYS A 27 7.983 -14.189 24.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.223 -16.028 25.277 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.478 -14.890 25.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.984 -13.628 27.143 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.560 -14.377 26.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.450 -16.632 27.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.661 -15.718 28.219 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.866 -14.683 28.549 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.133 -16.279 29.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.806 -14.538 30.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.158 -15.446 30.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.898 -13.900 29.668 1.00 0.00 H new ATOM 400 N GLY A 28 8.263 -11.825 24.643 1.00 0.00 N ATOM 401 CA GLY A 28 8.443 -10.380 24.952 1.00 0.00 C ATOM 402 C GLY A 28 8.625 -9.597 23.651 1.00 0.00 C ATOM 403 O GLY A 28 8.636 -8.382 23.645 1.00 0.00 O ATOM 0 H GLY A 28 7.304 -12.110 24.442 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.577 -10.004 25.497 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.311 -10.241 25.597 1.00 0.00 H new ATOM 407 N GLU A 29 8.771 -10.280 22.548 1.00 0.00 N ATOM 408 CA GLU A 29 8.956 -9.562 21.254 1.00 0.00 C ATOM 409 C GLU A 29 7.678 -8.808 20.877 1.00 0.00 C ATOM 410 O GLU A 29 6.605 -9.375 20.817 1.00 0.00 O ATOM 411 CB GLU A 29 9.253 -10.657 20.228 1.00 0.00 C ATOM 412 CG GLU A 29 9.997 -10.046 19.038 1.00 0.00 C ATOM 413 CD GLU A 29 10.383 -11.153 18.054 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.167 -12.008 18.434 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.890 -11.125 16.939 1.00 0.00 O ATOM 0 H GLU A 29 8.770 -11.298 22.486 1.00 0.00 H new ATOM 0 HA GLU A 29 9.757 -8.824 21.306 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.855 -11.444 20.683 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.324 -11.119 19.893 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.367 -9.307 18.542 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.890 -9.524 19.383 1.00 0.00 H new ATOM 422 N GLN A 30 7.785 -7.532 20.623 1.00 0.00 N ATOM 423 CA GLN A 30 6.577 -6.743 20.249 1.00 0.00 C ATOM 424 C GLN A 30 6.239 -6.974 18.774 1.00 0.00 C ATOM 425 O GLN A 30 7.109 -7.015 17.928 1.00 0.00 O ATOM 426 CB GLN A 30 6.967 -5.284 20.488 1.00 0.00 C ATOM 427 CG GLN A 30 7.201 -5.056 21.983 1.00 0.00 C ATOM 428 CD GLN A 30 7.538 -3.585 22.229 1.00 0.00 C ATOM 429 OE1 GLN A 30 7.754 -2.834 21.298 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.592 -3.136 23.453 1.00 0.00 N ATOM 0 H GLN A 30 8.656 -7.002 20.658 1.00 0.00 H new ATOM 0 HA GLN A 30 5.698 -7.028 20.828 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.869 -5.041 19.927 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.179 -4.622 20.127 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.312 -5.335 22.548 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.015 -5.690 22.335 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.411 -3.765 24.235 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.815 -2.156 23.627 1.00 0.00 H new ATOM 439 N LEU A 31 4.982 -7.127 18.460 1.00 0.00 N ATOM 440 CA LEU A 31 4.594 -7.359 17.039 1.00 0.00 C ATOM 441 C LEU A 31 3.313 -6.591 16.704 1.00 0.00 C ATOM 442 O LEU A 31 2.577 -6.177 17.577 1.00 0.00 O ATOM 443 CB LEU A 31 4.351 -8.867 16.929 1.00 0.00 C ATOM 444 CG LEU A 31 5.464 -9.632 17.650 1.00 0.00 C ATOM 445 CD1 LEU A 31 5.070 -11.105 17.770 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.765 -9.518 16.851 1.00 0.00 C ATOM 0 H LEU A 31 4.208 -7.102 19.124 1.00 0.00 H new ATOM 0 HA LEU A 31 5.363 -7.017 16.346 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.384 -9.120 17.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.316 -9.162 15.880 1.00 0.00 H new ATOM 0 HG LEU A 31 5.611 -9.209 18.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.861 -11.652 18.283 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.143 -11.189 18.338 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.925 -11.525 16.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.557 -10.063 17.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.620 -9.941 15.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.046 -8.469 16.761 1.00 0.00 H new ATOM 458 N ARG A 32 3.037 -6.409 15.441 1.00 0.00 N ATOM 459 CA ARG A 32 1.797 -5.680 15.042 1.00 0.00 C ATOM 460 C ARG A 32 0.766 -6.674 14.501 1.00 0.00 C ATOM 461 O ARG A 32 1.082 -7.525 13.699 1.00 0.00 O ATOM 462 CB ARG A 32 2.242 -4.711 13.945 1.00 0.00 C ATOM 463 CG ARG A 32 1.018 -4.221 13.167 1.00 0.00 C ATOM 464 CD ARG A 32 1.421 -3.051 12.268 1.00 0.00 C ATOM 465 NE ARG A 32 2.267 -3.663 11.203 1.00 0.00 N ATOM 466 CZ ARG A 32 3.430 -3.148 10.917 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.531 -2.244 9.980 1.00 0.00 N ATOM 468 NH2 ARG A 32 4.494 -3.535 11.566 1.00 0.00 N ATOM 0 H ARG A 32 3.617 -6.734 14.667 1.00 0.00 H new ATOM 0 HA ARG A 32 1.331 -5.156 15.877 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.769 -3.864 14.385 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.941 -5.205 13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.608 -5.032 12.565 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.235 -3.910 13.858 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.546 -2.558 11.844 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.973 -2.295 12.826 1.00 0.00 H new ATOM 0 HE ARG A 32 1.935 -4.485 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.700 -1.941 9.472 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.441 -1.841 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.416 -4.241 12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.403 -3.131 11.341 1.00 0.00 H new ATOM 482 N ILE A 33 -0.462 -6.578 14.934 1.00 0.00 N ATOM 483 CA ILE A 33 -1.502 -7.528 14.440 1.00 0.00 C ATOM 484 C ILE A 33 -2.317 -6.895 13.309 1.00 0.00 C ATOM 485 O ILE A 33 -3.272 -6.180 13.544 1.00 0.00 O ATOM 486 CB ILE A 33 -2.393 -7.805 15.651 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.538 -8.336 16.802 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.450 -8.845 15.278 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.449 -8.854 17.917 1.00 0.00 C ATOM 0 H ILE A 33 -0.790 -5.885 15.607 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.063 -8.440 14.036 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.884 -6.882 15.960 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.888 -9.136 16.447 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.891 -7.546 17.184 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.086 -9.043 16.141 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.059 -8.466 14.458 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.959 -9.768 14.969 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.840 -9.233 18.738 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.080 -8.042 18.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.077 -9.657 17.530 1.00 0.00 H new ATOM 501 N LEU A 34 -1.942 -7.141 12.084 1.00 0.00 N ATOM 502 CA LEU A 34 -2.689 -6.541 10.941 1.00 0.00 C ATOM 503 C LEU A 34 -3.974 -7.328 10.658 1.00 0.00 C ATOM 504 O LEU A 34 -4.908 -6.813 10.077 1.00 0.00 O ATOM 505 CB LEU A 34 -1.732 -6.637 9.752 1.00 0.00 C ATOM 506 CG LEU A 34 -0.471 -5.822 10.046 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.406 -5.770 8.793 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.864 -4.401 10.455 1.00 0.00 C ATOM 0 H LEU A 34 -1.151 -7.731 11.824 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.992 -5.514 11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.470 -7.678 9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.217 -6.264 8.850 1.00 0.00 H new ATOM 0 HG LEU A 34 0.084 -6.292 10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.305 -5.189 9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.687 -6.783 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.148 -5.301 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.035 -3.821 10.664 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.420 -3.930 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.488 -4.439 11.348 1.00 0.00 H new ATOM 520 N GLU A 35 -4.036 -8.568 11.063 1.00 0.00 N ATOM 521 CA GLU A 35 -5.269 -9.368 10.808 1.00 0.00 C ATOM 522 C GLU A 35 -5.650 -10.170 12.055 1.00 0.00 C ATOM 523 O GLU A 35 -4.836 -10.860 12.634 1.00 0.00 O ATOM 524 CB GLU A 35 -4.904 -10.304 9.657 1.00 0.00 C ATOM 525 CG GLU A 35 -6.124 -11.145 9.277 1.00 0.00 C ATOM 526 CD GLU A 35 -5.718 -12.197 8.244 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.560 -12.205 7.860 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.571 -12.976 7.852 1.00 0.00 O ATOM 0 H GLU A 35 -3.291 -9.060 11.557 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.125 -8.739 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.566 -9.726 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.079 -10.953 9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.535 -11.630 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.908 -10.505 8.871 1.00 0.00 H new ATOM 535 N GLN A 36 -6.884 -10.083 12.470 1.00 0.00 N ATOM 536 CA GLN A 36 -7.321 -10.841 13.677 1.00 0.00 C ATOM 537 C GLN A 36 -8.549 -11.692 13.348 1.00 0.00 C ATOM 538 O GLN A 36 -9.569 -11.610 14.005 1.00 0.00 O ATOM 539 CB GLN A 36 -7.672 -9.772 14.712 1.00 0.00 C ATOM 540 CG GLN A 36 -6.413 -8.986 15.084 1.00 0.00 C ATOM 541 CD GLN A 36 -6.789 -7.838 16.022 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.917 -7.384 16.026 1.00 0.00 O ATOM 543 NE2 GLN A 36 -5.887 -7.343 16.825 1.00 0.00 N ATOM 0 H GLN A 36 -7.609 -9.520 12.025 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.550 -11.521 14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.429 -9.098 14.311 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.098 -10.238 15.601 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.690 -9.643 15.567 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.937 -8.595 14.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.940 -7.722 16.824 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.129 -6.577 17.454 1.00 0.00 H new ATOM 552 N SER A 37 -8.460 -12.510 12.337 1.00 0.00 N ATOM 553 CA SER A 37 -9.623 -13.366 11.964 1.00 0.00 C ATOM 554 C SER A 37 -9.246 -14.846 12.064 1.00 0.00 C ATOM 555 O SER A 37 -8.087 -15.205 12.013 1.00 0.00 O ATOM 556 CB SER A 37 -9.946 -12.990 10.518 1.00 0.00 C ATOM 557 OG SER A 37 -8.797 -13.194 9.709 1.00 0.00 O ATOM 0 H SER A 37 -7.632 -12.624 11.752 1.00 0.00 H new ATOM 0 HA SER A 37 -10.476 -13.212 12.624 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.775 -13.594 10.150 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.262 -11.948 10.464 1.00 0.00 H new ATOM 0 HG SER A 37 -9.003 -12.955 8.781 1.00 0.00 H new ATOM 563 N GLY A 38 -10.216 -15.707 12.207 1.00 0.00 N ATOM 564 CA GLY A 38 -9.911 -17.162 12.309 1.00 0.00 C ATOM 565 C GLY A 38 -9.145 -17.432 13.605 1.00 0.00 C ATOM 566 O GLY A 38 -8.993 -16.563 14.440 1.00 0.00 O ATOM 0 H GLY A 38 -11.206 -15.466 12.258 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.835 -17.740 12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.320 -17.482 11.451 1.00 0.00 H new ATOM 570 N GLU A 39 -8.659 -18.631 13.780 1.00 0.00 N ATOM 571 CA GLU A 39 -7.903 -18.955 15.022 1.00 0.00 C ATOM 572 C GLU A 39 -6.527 -18.284 14.996 1.00 0.00 C ATOM 573 O GLU A 39 -6.008 -17.869 16.013 1.00 0.00 O ATOM 574 CB GLU A 39 -7.758 -20.477 15.012 1.00 0.00 C ATOM 575 CG GLU A 39 -9.144 -21.123 15.000 1.00 0.00 C ATOM 576 CD GLU A 39 -8.998 -22.645 14.934 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.905 -23.103 14.647 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.982 -23.326 15.170 1.00 0.00 O ATOM 0 H GLU A 39 -8.753 -19.400 13.116 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.411 -18.600 15.918 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.191 -20.793 14.137 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.200 -20.805 15.889 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.697 -20.839 15.895 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.716 -20.765 14.144 1.00 0.00 H new ATOM 585 N TRP A 40 -5.931 -18.177 13.840 1.00 0.00 N ATOM 586 CA TRP A 40 -4.588 -17.535 13.749 1.00 0.00 C ATOM 587 C TRP A 40 -4.715 -16.101 13.227 1.00 0.00 C ATOM 588 O TRP A 40 -5.611 -15.782 12.472 1.00 0.00 O ATOM 589 CB TRP A 40 -3.805 -18.398 12.761 1.00 0.00 C ATOM 590 CG TRP A 40 -3.559 -19.744 13.364 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.477 -20.733 13.458 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.334 -20.265 13.957 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.894 -21.828 14.071 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.574 -21.587 14.398 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.052 -19.721 14.154 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.577 -22.345 15.013 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.045 -20.481 14.772 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.308 -21.791 15.200 1.00 0.00 C ATOM 0 H TRP A 40 -6.316 -18.506 12.954 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.095 -17.473 14.719 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.362 -18.501 11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.857 -17.919 12.514 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.498 -20.677 13.111 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.379 -22.705 14.258 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.841 -18.713 13.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.785 -23.352 15.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.936 -20.055 14.918 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.470 -22.371 15.674 1.00 0.00 H new ATOM 609 N TRP A 41 -3.824 -15.236 13.627 1.00 0.00 N ATOM 610 CA TRP A 41 -3.890 -13.820 13.159 1.00 0.00 C ATOM 611 C TRP A 41 -2.602 -13.445 12.420 1.00 0.00 C ATOM 612 O TRP A 41 -1.554 -14.017 12.650 1.00 0.00 O ATOM 613 CB TRP A 41 -4.034 -12.992 14.436 1.00 0.00 C ATOM 614 CG TRP A 41 -5.372 -13.251 15.052 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.436 -13.778 14.404 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.806 -13.006 16.422 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.496 -13.872 15.288 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.157 -13.409 16.543 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.166 -12.479 17.557 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.848 -13.293 17.750 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.859 -12.361 18.773 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.197 -12.767 18.870 1.00 0.00 C ATOM 0 H TRP A 41 -3.052 -15.448 14.259 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.714 -13.651 12.465 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.242 -13.249 15.140 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.926 -11.932 14.208 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.455 -14.077 13.366 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.416 -14.239 15.042 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.135 -12.163 17.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.879 -13.608 17.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.358 -11.955 19.639 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.724 -12.674 19.808 1.00 0.00 H new ATOM 633 N LYS A 42 -2.670 -12.484 11.539 1.00 0.00 N ATOM 634 CA LYS A 42 -1.450 -12.065 10.792 1.00 0.00 C ATOM 635 C LYS A 42 -0.808 -10.866 11.491 1.00 0.00 C ATOM 636 O LYS A 42 -1.490 -10.007 12.018 1.00 0.00 O ATOM 637 CB LYS A 42 -1.949 -11.675 9.400 1.00 0.00 C ATOM 638 CG LYS A 42 -0.796 -11.762 8.399 1.00 0.00 C ATOM 639 CD LYS A 42 -1.291 -11.343 7.013 1.00 0.00 C ATOM 640 CE LYS A 42 -0.160 -11.508 5.996 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.607 -10.738 4.801 1.00 0.00 N ATOM 0 H LYS A 42 -3.519 -11.970 11.304 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.697 -12.852 10.742 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.760 -12.336 9.095 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.353 -10.663 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.023 -11.116 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.405 -12.779 8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.148 -11.951 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.628 -10.307 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.782 -11.122 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.003 -12.558 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.328 -11.245 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.642 -10.634 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.164 -9.797 4.809 1.00 0.00 H new ATOM 655 N ALA A 43 0.494 -10.793 11.509 1.00 0.00 N ATOM 656 CA ALA A 43 1.150 -9.643 12.190 1.00 0.00 C ATOM 657 C ALA A 43 2.526 -9.357 11.585 1.00 0.00 C ATOM 658 O ALA A 43 2.993 -10.058 10.709 1.00 0.00 O ATOM 659 CB ALA A 43 1.293 -10.081 13.647 1.00 0.00 C ATOM 0 H ALA A 43 1.126 -11.473 11.086 1.00 0.00 H new ATOM 0 HA ALA A 43 0.570 -8.726 12.084 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.770 -9.286 14.221 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.307 -10.288 14.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.904 -10.982 13.698 1.00 0.00 H new ATOM 665 N GLN A 44 3.176 -8.329 12.057 1.00 0.00 N ATOM 666 CA GLN A 44 4.524 -7.980 11.530 1.00 0.00 C ATOM 667 C GLN A 44 5.404 -7.457 12.668 1.00 0.00 C ATOM 668 O GLN A 44 4.915 -6.907 13.635 1.00 0.00 O ATOM 669 CB GLN A 44 4.273 -6.886 10.493 1.00 0.00 C ATOM 670 CG GLN A 44 5.611 -6.372 9.956 1.00 0.00 C ATOM 671 CD GLN A 44 5.371 -5.118 9.112 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.243 -4.718 8.905 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.392 -4.476 8.615 1.00 0.00 N ATOM 0 H GLN A 44 2.828 -7.712 12.791 1.00 0.00 H new ATOM 0 HA GLN A 44 5.039 -8.836 11.094 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.668 -7.278 9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.711 -6.067 10.942 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.284 -6.144 10.783 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.094 -7.142 9.354 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.339 -4.812 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.243 -3.638 8.053 1.00 0.00 H new ATOM 682 N SER A 45 6.693 -7.624 12.567 1.00 0.00 N ATOM 683 CA SER A 45 7.589 -7.136 13.652 1.00 0.00 C ATOM 684 C SER A 45 7.923 -5.657 13.440 1.00 0.00 C ATOM 685 O SER A 45 7.986 -5.178 12.325 1.00 0.00 O ATOM 686 CB SER A 45 8.850 -7.993 13.540 1.00 0.00 C ATOM 687 OG SER A 45 8.597 -9.282 14.079 1.00 0.00 O ATOM 0 H SER A 45 7.164 -8.076 11.783 1.00 0.00 H new ATOM 0 HA SER A 45 7.127 -7.217 14.636 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.154 -8.077 12.497 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.673 -7.519 14.075 1.00 0.00 H new ATOM 0 HG SER A 45 9.365 -9.865 13.907 1.00 0.00 H new ATOM 693 N LEU A 46 8.141 -4.933 14.502 1.00 0.00 N ATOM 694 CA LEU A 46 8.476 -3.488 14.364 1.00 0.00 C ATOM 695 C LEU A 46 9.990 -3.291 14.463 1.00 0.00 C ATOM 696 O LEU A 46 10.514 -2.243 14.143 1.00 0.00 O ATOM 697 CB LEU A 46 7.766 -2.804 15.533 1.00 0.00 C ATOM 698 CG LEU A 46 6.254 -2.840 15.301 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.715 -4.226 15.666 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.577 -1.783 16.176 1.00 0.00 C ATOM 0 H LEU A 46 8.102 -5.280 15.460 1.00 0.00 H new ATOM 0 HA LEU A 46 8.163 -3.078 13.404 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.014 -3.307 16.468 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.106 -1.773 15.626 1.00 0.00 H new ATOM 0 HG LEU A 46 6.043 -2.632 14.252 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.638 -4.253 15.501 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.196 -4.979 15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.927 -4.434 16.715 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.500 -1.809 16.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.788 -1.990 17.225 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.960 -0.796 15.917 1.00 0.00 H new ATOM 712 N THR A 47 10.696 -4.297 14.902 1.00 0.00 N ATOM 713 CA THR A 47 12.177 -4.173 15.021 1.00 0.00 C ATOM 714 C THR A 47 12.863 -4.861 13.837 1.00 0.00 C ATOM 715 O THR A 47 13.956 -4.499 13.448 1.00 0.00 O ATOM 716 CB THR A 47 12.530 -4.884 16.329 1.00 0.00 C ATOM 717 OG1 THR A 47 12.219 -6.265 16.215 1.00 0.00 O ATOM 718 CG2 THR A 47 11.726 -4.271 17.478 1.00 0.00 C ATOM 0 H THR A 47 10.312 -5.199 15.183 1.00 0.00 H new ATOM 0 HA THR A 47 12.505 -3.134 15.019 1.00 0.00 H new ATOM 0 HB THR A 47 13.595 -4.767 16.530 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.446 -6.722 17.052 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.978 -4.778 18.409 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.966 -3.211 17.565 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.661 -4.387 17.279 1.00 0.00 H new ATOM 726 N THR A 48 12.234 -5.852 13.263 1.00 0.00 N ATOM 727 CA THR A 48 12.859 -6.559 12.109 1.00 0.00 C ATOM 728 C THR A 48 12.138 -6.194 10.808 1.00 0.00 C ATOM 729 O THR A 48 12.660 -6.379 9.726 1.00 0.00 O ATOM 730 CB THR A 48 12.688 -8.047 12.417 1.00 0.00 C ATOM 731 OG1 THR A 48 11.304 -8.354 12.507 1.00 0.00 O ATOM 732 CG2 THR A 48 13.373 -8.378 13.744 1.00 0.00 C ATOM 0 H THR A 48 11.317 -6.201 13.543 1.00 0.00 H new ATOM 0 HA THR A 48 13.906 -6.287 11.977 1.00 0.00 H new ATOM 0 HB THR A 48 13.141 -8.637 11.620 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.174 -9.098 13.132 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.250 -9.439 13.962 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.435 -8.142 13.674 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.923 -7.789 14.543 1.00 0.00 H new ATOM 740 N GLY A 49 10.942 -5.682 10.903 1.00 0.00 N ATOM 741 CA GLY A 49 10.191 -5.313 9.670 1.00 0.00 C ATOM 742 C GLY A 49 9.801 -6.586 8.917 1.00 0.00 C ATOM 743 O GLY A 49 9.892 -6.656 7.707 1.00 0.00 O ATOM 0 H GLY A 49 10.453 -5.503 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.299 -4.743 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.804 -4.674 9.034 1.00 0.00 H new ATOM 747 N GLN A 50 9.369 -7.593 9.623 1.00 0.00 N ATOM 748 CA GLN A 50 8.973 -8.863 8.951 1.00 0.00 C ATOM 749 C GLN A 50 7.499 -9.169 9.222 1.00 0.00 C ATOM 750 O GLN A 50 6.959 -8.810 10.249 1.00 0.00 O ATOM 751 CB GLN A 50 9.867 -9.936 9.575 1.00 0.00 C ATOM 752 CG GLN A 50 10.960 -10.333 8.581 1.00 0.00 C ATOM 753 CD GLN A 50 12.005 -11.196 9.292 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.758 -11.711 10.365 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.171 -11.377 8.735 1.00 0.00 N ATOM 0 H GLN A 50 9.273 -7.592 10.638 1.00 0.00 H new ATOM 0 HA GLN A 50 9.092 -8.811 7.869 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.316 -9.560 10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.272 -10.808 9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.525 -10.883 7.746 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.430 -9.442 8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.379 -10.945 7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.875 -11.950 9.200 1.00 0.00 H new ATOM 764 N GLU A 51 6.843 -9.833 8.309 1.00 0.00 N ATOM 765 CA GLU A 51 5.404 -10.163 8.519 1.00 0.00 C ATOM 766 C GLU A 51 5.215 -11.680 8.589 1.00 0.00 C ATOM 767 O GLU A 51 5.747 -12.419 7.784 1.00 0.00 O ATOM 768 CB GLU A 51 4.681 -9.586 7.302 1.00 0.00 C ATOM 769 CG GLU A 51 3.169 -9.651 7.529 1.00 0.00 C ATOM 770 CD GLU A 51 2.443 -9.095 6.303 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.111 -8.809 5.323 1.00 0.00 O ATOM 772 OE2 GLU A 51 1.232 -8.964 6.365 1.00 0.00 O ATOM 0 H GLU A 51 7.240 -10.161 7.429 1.00 0.00 H new ATOM 0 HA GLU A 51 5.018 -9.752 9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.991 -8.554 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.950 -10.146 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.862 -10.681 7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.899 -9.077 8.416 1.00 0.00 H new ATOM 779 N GLY A 52 4.464 -12.151 9.547 1.00 0.00 N ATOM 780 CA GLY A 52 4.245 -13.620 9.668 1.00 0.00 C ATOM 781 C GLY A 52 2.990 -13.881 10.502 1.00 0.00 C ATOM 782 O GLY A 52 2.593 -13.070 11.314 1.00 0.00 O ATOM 0 H GLY A 52 3.993 -11.582 10.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.136 -14.065 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.110 -14.090 10.136 1.00 0.00 H new ATOM 786 N PHE A 53 2.364 -15.009 10.310 1.00 0.00 N ATOM 787 CA PHE A 53 1.135 -15.323 11.095 1.00 0.00 C ATOM 788 C PHE A 53 1.499 -15.567 12.561 1.00 0.00 C ATOM 789 O PHE A 53 2.523 -16.144 12.869 1.00 0.00 O ATOM 790 CB PHE A 53 0.573 -16.596 10.461 1.00 0.00 C ATOM 791 CG PHE A 53 -0.031 -16.266 9.116 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.274 -15.624 9.046 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.651 -16.602 7.940 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.834 -15.318 7.799 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.091 -16.296 6.694 1.00 0.00 C ATOM 796 CZ PHE A 53 -1.151 -15.655 6.624 1.00 0.00 C ATOM 0 H PHE A 53 2.649 -15.727 9.644 1.00 0.00 H new ATOM 0 HA PHE A 53 0.411 -14.508 11.077 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.364 -17.336 10.344 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.182 -17.036 11.112 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.800 -15.365 9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.609 -17.097 7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.792 -14.822 7.744 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.617 -16.555 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.583 -15.420 5.663 1.00 0.00 H new ATOM 806 N ILE A 54 0.669 -15.131 13.470 1.00 0.00 N ATOM 807 CA ILE A 54 0.973 -15.340 14.915 1.00 0.00 C ATOM 808 C ILE A 54 -0.251 -15.900 15.643 1.00 0.00 C ATOM 809 O ILE A 54 -1.348 -15.399 15.493 1.00 0.00 O ATOM 810 CB ILE A 54 1.321 -13.950 15.449 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.202 -12.969 15.091 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.634 -13.477 14.824 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.095 -12.071 16.293 1.00 0.00 C ATOM 0 H ILE A 54 -0.204 -14.641 13.275 1.00 0.00 H new ATOM 0 HA ILE A 54 1.783 -16.053 15.065 1.00 0.00 H new ATOM 0 HB ILE A 54 1.430 -13.995 16.533 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.496 -12.362 14.235 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.696 -13.515 14.801 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.882 -12.486 15.205 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.431 -14.174 15.081 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.526 -13.433 13.740 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.892 -11.373 16.037 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.408 -12.685 17.138 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.803 -11.514 16.562 1.00 0.00 H new ATOM 825 N PRO A 55 -0.017 -16.926 16.415 1.00 0.00 N ATOM 826 CA PRO A 55 -1.143 -17.533 17.167 1.00 0.00 C ATOM 827 C PRO A 55 -1.748 -16.501 18.121 1.00 0.00 C ATOM 828 O PRO A 55 -1.102 -15.545 18.503 1.00 0.00 O ATOM 829 CB PRO A 55 -0.500 -18.679 17.939 1.00 0.00 C ATOM 830 CG PRO A 55 0.934 -18.291 18.081 1.00 0.00 C ATOM 831 CD PRO A 55 1.279 -17.427 16.895 1.00 0.00 C ATOM 0 HA PRO A 55 -1.954 -17.875 16.524 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.971 -18.813 18.913 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.603 -19.623 17.403 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.096 -17.749 19.013 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.571 -19.175 18.112 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.940 -16.608 17.179 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.794 -17.999 16.123 1.00 0.00 H new ATOM 839 N PHE A 56 -2.985 -16.673 18.495 1.00 0.00 N ATOM 840 CA PHE A 56 -3.627 -15.687 19.410 1.00 0.00 C ATOM 841 C PHE A 56 -3.221 -15.932 20.866 1.00 0.00 C ATOM 842 O PHE A 56 -3.535 -15.149 21.739 1.00 0.00 O ATOM 843 CB PHE A 56 -5.128 -15.913 19.233 1.00 0.00 C ATOM 844 CG PHE A 56 -5.505 -17.253 19.819 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.818 -17.359 21.180 1.00 0.00 C ATOM 846 CD2 PHE A 56 -5.540 -18.390 19.003 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.167 -18.600 21.724 1.00 0.00 C ATOM 848 CE2 PHE A 56 -5.888 -19.633 19.548 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.202 -19.737 20.908 1.00 0.00 C ATOM 0 H PHE A 56 -3.578 -17.451 18.208 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.325 -14.666 19.177 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.687 -15.118 19.726 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.390 -15.879 18.176 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.790 -16.482 21.810 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.299 -18.309 17.953 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.409 -18.681 22.773 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -5.914 -20.511 18.919 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.471 -20.695 21.328 1.00 0.00 H new ATOM 859 N ASN A 57 -2.539 -17.011 21.149 1.00 0.00 N ATOM 860 CA ASN A 57 -2.142 -17.283 22.562 1.00 0.00 C ATOM 861 C ASN A 57 -0.748 -16.718 22.859 1.00 0.00 C ATOM 862 O ASN A 57 -0.432 -16.396 23.987 1.00 0.00 O ATOM 863 CB ASN A 57 -2.134 -18.808 22.682 1.00 0.00 C ATOM 864 CG ASN A 57 -3.552 -19.303 22.975 1.00 0.00 C ATOM 865 OD1 ASN A 57 -4.344 -18.599 23.569 1.00 0.00 O ATOM 866 ND2 ASN A 57 -3.907 -20.495 22.580 1.00 0.00 N ATOM 0 H ASN A 57 -2.242 -17.711 20.469 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.824 -16.814 23.271 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.765 -19.254 21.759 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.457 -19.117 23.478 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.849 -20.836 22.770 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.242 -21.086 22.081 1.00 0.00 H new ATOM 873 N PHE A 58 0.088 -16.592 21.865 1.00 0.00 N ATOM 874 CA PHE A 58 1.454 -16.046 22.115 1.00 0.00 C ATOM 875 C PHE A 58 1.412 -14.516 22.135 1.00 0.00 C ATOM 876 O PHE A 58 2.389 -13.861 22.439 1.00 0.00 O ATOM 877 CB PHE A 58 2.312 -16.543 20.950 1.00 0.00 C ATOM 878 CG PHE A 58 2.559 -18.026 21.100 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.500 -18.932 20.960 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.849 -18.494 21.378 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.732 -20.306 21.098 1.00 0.00 C ATOM 882 CE2 PHE A 58 4.079 -19.868 21.518 1.00 0.00 C ATOM 883 CZ PHE A 58 3.021 -20.774 21.378 1.00 0.00 C ATOM 0 H PHE A 58 -0.113 -16.841 20.897 1.00 0.00 H new ATOM 0 HA PHE A 58 1.855 -16.370 23.076 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.810 -16.341 20.004 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.260 -16.006 20.929 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.505 -18.571 20.746 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.666 -17.796 21.484 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.916 -21.005 20.988 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.074 -20.229 21.734 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.199 -21.834 21.486 1.00 0.00 H new ATOM 893 N VAL A 59 0.284 -13.944 21.816 1.00 0.00 N ATOM 894 CA VAL A 59 0.172 -12.458 21.819 1.00 0.00 C ATOM 895 C VAL A 59 -1.097 -12.037 22.565 1.00 0.00 C ATOM 896 O VAL A 59 -1.891 -12.865 22.967 1.00 0.00 O ATOM 897 CB VAL A 59 0.084 -12.066 20.344 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.010 -10.542 20.223 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.325 -12.575 19.607 1.00 0.00 C ATOM 0 H VAL A 59 -0.566 -14.442 21.553 1.00 0.00 H new ATOM 0 HA VAL A 59 1.013 -11.975 22.316 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.809 -12.509 19.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.053 -10.263 19.171 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.873 -10.178 20.748 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.903 -10.098 20.663 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.263 -12.296 18.555 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.218 -12.132 20.048 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.379 -13.660 19.692 1.00 0.00 H new ATOM 909 N ALA A 60 -1.298 -10.763 22.755 1.00 0.00 N ATOM 910 CA ALA A 60 -2.521 -10.307 23.477 1.00 0.00 C ATOM 911 C ALA A 60 -2.806 -8.836 23.160 1.00 0.00 C ATOM 912 O ALA A 60 -1.907 -8.061 22.901 1.00 0.00 O ATOM 913 CB ALA A 60 -2.192 -10.482 24.960 1.00 0.00 C ATOM 0 H ALA A 60 -0.672 -10.020 22.444 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.407 -10.871 23.186 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.045 -10.167 25.561 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.972 -11.530 25.163 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.324 -9.874 25.214 1.00 0.00 H new ATOM 919 N LYS A 61 -4.052 -8.447 23.178 1.00 0.00 N ATOM 920 CA LYS A 61 -4.395 -7.028 22.878 1.00 0.00 C ATOM 921 C LYS A 61 -3.894 -6.112 23.999 1.00 0.00 C ATOM 922 O LYS A 61 -4.360 -6.175 25.119 1.00 0.00 O ATOM 923 CB LYS A 61 -5.922 -7.000 22.803 1.00 0.00 C ATOM 924 CG LYS A 61 -6.387 -7.796 21.582 1.00 0.00 C ATOM 925 CD LYS A 61 -7.875 -7.533 21.338 1.00 0.00 C ATOM 926 CE LYS A 61 -8.361 -8.397 20.172 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.527 -7.975 19.010 1.00 0.00 N ATOM 0 H LYS A 61 -4.847 -9.051 23.388 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.934 -6.677 21.955 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.349 -7.424 23.712 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.275 -5.971 22.735 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.807 -7.509 20.705 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.216 -8.861 21.742 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.448 -7.761 22.237 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.037 -6.478 21.116 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.233 -9.458 20.386 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.421 -8.237 19.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.122 -7.916 18.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.107 -7.044 19.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.770 -8.671 18.855 1.00 0.00 H new ATOM 941 N ALA A 62 -2.946 -5.264 23.706 1.00 0.00 N ATOM 942 CA ALA A 62 -2.416 -4.347 24.756 1.00 0.00 C ATOM 943 C ALA A 62 -3.566 -3.769 25.585 1.00 0.00 C ATOM 944 O ALA A 62 -4.619 -3.451 25.068 1.00 0.00 O ATOM 945 CB ALA A 62 -1.698 -3.238 23.987 1.00 0.00 C ATOM 0 H ALA A 62 -2.516 -5.166 22.786 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.750 -4.857 25.452 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.278 -2.520 24.691 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.896 -3.671 23.389 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.407 -2.732 23.332 1.00 0.00 H new ATOM 951 N ASN A 63 -3.374 -3.632 26.868 1.00 0.00 N ATOM 952 CA ASN A 63 -4.457 -3.075 27.730 1.00 0.00 C ATOM 953 C ASN A 63 -4.198 -1.593 28.015 1.00 0.00 C ATOM 954 O ASN A 63 -3.196 -1.085 27.539 1.00 0.00 O ATOM 955 CB ASN A 63 -4.394 -3.889 29.022 1.00 0.00 C ATOM 956 CG ASN A 63 -4.615 -5.370 28.704 1.00 0.00 C ATOM 957 OD1 ASN A 63 -3.846 -6.213 29.119 1.00 0.00 O ATOM 958 ND2 ASN A 63 -5.641 -5.722 27.979 1.00 0.00 N ATOM 959 OXT ASN A 63 -5.006 -0.993 28.704 1.00 0.00 O ATOM 0 H ASN A 63 -2.515 -3.881 27.358 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.436 -3.140 27.255 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.427 -3.750 29.505 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.153 -3.539 29.722 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.798 -6.706 27.760 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.287 -5.013 27.631 1.00 0.00 H new TER 966 ASN A 63