USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 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 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -6.04! C(o=-6!,f=-6.4!) USER MOD Set 2.1: A 45 SER OG : rot -95:sc= 0.704 USER MOD Set 2.2: A 47 THR OG1 : rot -164:sc= 1.25 USER MOD Set 3.1: A 7 ASN : amide:sc= -7.59! C(o=-8.3!,f=-11!) USER MOD Set 3.2: A 36 GLN : amide:sc= -0.661 X(o=-8.3,f=-8.4) USER MOD Set 3.3: A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Set 4.1: A 18 SER OG : rot 23:sc= -1.43! USER MOD Set 4.2: A 19 HIS : no HD1:sc= -1.53! C(o=-3!,f=-8.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.24 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 13 HIS : no HD1:sc= -2.61 X(o=-2.6,f=-2.3) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 30:sc= 1.96 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=-1.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0305 K(o=-0.031,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= -10.9! C(o=-11!,f=-24!) USER MOD Single : A 63 ASN : amide:sc= -0.0962 K(o=-0.096,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.310 -0.118 7.550 1.00 0.00 N ATOM 2 CA GLY A 1 -6.844 0.033 7.330 1.00 0.00 C ATOM 3 C GLY A 1 -6.085 -0.767 8.389 1.00 0.00 C ATOM 4 O GLY A 1 -6.227 -0.538 9.574 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.827 0.426 6.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.570 -1.122 7.478 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.557 0.237 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.577 -0.318 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.564 1.085 7.383 1.00 0.00 H new ATOM 10 N SER A 2 -5.277 -1.704 7.973 1.00 0.00 N ATOM 11 CA SER A 2 -4.508 -2.518 8.958 1.00 0.00 C ATOM 12 C SER A 2 -3.851 -1.606 9.998 1.00 0.00 C ATOM 13 O SER A 2 -4.197 -1.640 11.161 1.00 0.00 O ATOM 14 CB SER A 2 -3.446 -3.241 8.131 1.00 0.00 C ATOM 15 OG SER A 2 -3.599 -4.645 8.287 1.00 0.00 O ATOM 0 H SER A 2 -5.116 -1.941 6.994 1.00 0.00 H new ATOM 0 HA SER A 2 -5.143 -3.216 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.541 -2.969 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.450 -2.935 8.451 1.00 0.00 H new ATOM 0 HG SER A 2 -2.919 -5.109 7.756 1.00 0.00 H new ATOM 21 N PRO A 3 -2.919 -0.819 9.536 1.00 0.00 N ATOM 22 CA PRO A 3 -2.222 0.103 10.472 1.00 0.00 C ATOM 23 C PRO A 3 -3.231 1.034 11.150 1.00 0.00 C ATOM 24 O PRO A 3 -3.046 1.449 12.277 1.00 0.00 O ATOM 25 CB PRO A 3 -1.274 0.894 9.575 1.00 0.00 C ATOM 26 CG PRO A 3 -1.897 0.837 8.220 1.00 0.00 C ATOM 27 CD PRO A 3 -2.638 -0.469 8.135 1.00 0.00 C ATOM 0 HA PRO A 3 -1.699 -0.420 11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.169 1.923 9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.276 0.456 9.570 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.576 1.677 8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.136 0.901 7.442 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.557 -0.368 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.037 -1.236 7.646 1.00 0.00 H new ATOM 35 N LEU A 4 -4.295 1.366 10.472 1.00 0.00 N ATOM 36 CA LEU A 4 -5.315 2.270 11.080 1.00 0.00 C ATOM 37 C LEU A 4 -5.821 1.683 12.400 1.00 0.00 C ATOM 38 O LEU A 4 -6.263 2.398 13.279 1.00 0.00 O ATOM 39 CB LEU A 4 -6.446 2.337 10.053 1.00 0.00 C ATOM 40 CG LEU A 4 -7.415 3.459 10.431 1.00 0.00 C ATOM 41 CD1 LEU A 4 -8.197 3.057 11.683 1.00 0.00 C ATOM 42 CD2 LEU A 4 -6.627 4.741 10.712 1.00 0.00 C ATOM 0 H LEU A 4 -4.503 1.051 9.524 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.911 3.257 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.038 2.515 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.974 1.384 10.015 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.109 3.632 9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.888 3.856 11.953 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.758 2.144 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.503 2.884 12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.317 5.541 10.981 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.933 4.568 11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.069 5.028 9.821 1.00 0.00 H new ATOM 54 N GLN A 5 -5.759 0.389 12.547 1.00 0.00 N ATOM 55 CA GLN A 5 -6.237 -0.242 13.811 1.00 0.00 C ATOM 56 C GLN A 5 -5.246 0.027 14.945 1.00 0.00 C ATOM 57 O GLN A 5 -5.578 -0.073 16.109 1.00 0.00 O ATOM 58 CB GLN A 5 -6.305 -1.739 13.504 1.00 0.00 C ATOM 59 CG GLN A 5 -7.388 -1.997 12.455 1.00 0.00 C ATOM 60 CD GLN A 5 -7.396 -3.482 12.085 1.00 0.00 C ATOM 61 OE1 GLN A 5 -6.497 -4.215 12.449 1.00 0.00 O ATOM 62 NE2 GLN A 5 -8.380 -3.960 11.374 1.00 0.00 N ATOM 0 H GLN A 5 -5.398 -0.260 11.847 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.201 0.154 14.131 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.340 -2.090 13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.525 -2.298 14.414 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.363 -1.703 12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.202 -1.391 11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.134 -3.345 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.395 -4.949 11.124 1.00 0.00 H new ATOM 71 N ASP A 6 -4.028 0.366 14.616 1.00 0.00 N ATOM 72 CA ASP A 6 -3.018 0.639 15.680 1.00 0.00 C ATOM 73 C ASP A 6 -3.076 -0.454 16.751 1.00 0.00 C ATOM 74 O ASP A 6 -3.043 -0.180 17.934 1.00 0.00 O ATOM 75 CB ASP A 6 -3.418 1.991 16.269 1.00 0.00 C ATOM 76 CG ASP A 6 -3.460 3.040 15.156 1.00 0.00 C ATOM 77 OD1 ASP A 6 -2.716 2.890 14.200 1.00 0.00 O ATOM 78 OD2 ASP A 6 -4.234 3.973 15.277 1.00 0.00 O ATOM 0 H ASP A 6 -3.689 0.466 13.659 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.999 0.651 15.292 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.393 1.916 16.750 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.706 2.290 17.038 1.00 0.00 H new ATOM 83 N ASN A 7 -3.167 -1.690 16.343 1.00 0.00 N ATOM 84 CA ASN A 7 -3.231 -2.801 17.335 1.00 0.00 C ATOM 85 C ASN A 7 -1.827 -3.337 17.627 1.00 0.00 C ATOM 86 O ASN A 7 -1.279 -4.116 16.873 1.00 0.00 O ATOM 87 CB ASN A 7 -4.088 -3.876 16.667 1.00 0.00 C ATOM 88 CG ASN A 7 -4.533 -4.899 17.715 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.060 -4.884 18.834 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.430 -5.791 17.398 1.00 0.00 N ATOM 0 H ASN A 7 -3.200 -1.979 15.365 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.649 -2.479 18.289 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.959 -3.421 16.195 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.521 -4.371 15.879 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.735 -6.476 18.090 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.827 -5.803 16.459 1.00 0.00 H new ATOM 97 N LEU A 8 -1.242 -2.927 18.721 1.00 0.00 N ATOM 98 CA LEU A 8 0.125 -3.414 19.064 1.00 0.00 C ATOM 99 C LEU A 8 0.042 -4.469 20.171 1.00 0.00 C ATOM 100 O LEU A 8 -0.772 -4.375 21.069 1.00 0.00 O ATOM 101 CB LEU A 8 0.876 -2.177 19.555 1.00 0.00 C ATOM 102 CG LEU A 8 2.370 -2.490 19.648 1.00 0.00 C ATOM 103 CD1 LEU A 8 2.936 -2.703 18.242 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.097 -1.323 20.319 1.00 0.00 C ATOM 0 H LEU A 8 -1.652 -2.276 19.391 1.00 0.00 H new ATOM 0 HA LEU A 8 0.625 -3.880 18.215 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.710 -1.343 18.873 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.496 -1.871 20.530 1.00 0.00 H new ATOM 0 HG LEU A 8 2.514 -3.395 20.239 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.001 -2.926 18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.420 -3.536 17.764 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.791 -1.799 17.651 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.162 -1.547 20.385 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.953 -0.417 19.730 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.695 -1.172 21.321 1.00 0.00 H new ATOM 116 N VAL A 9 0.872 -5.473 20.116 1.00 0.00 N ATOM 117 CA VAL A 9 0.832 -6.530 21.167 1.00 0.00 C ATOM 118 C VAL A 9 2.248 -6.992 21.515 1.00 0.00 C ATOM 119 O VAL A 9 3.194 -6.722 20.803 1.00 0.00 O ATOM 120 CB VAL A 9 0.038 -7.678 20.542 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.352 -7.182 20.143 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.773 -8.190 19.302 1.00 0.00 C ATOM 0 H VAL A 9 1.576 -5.608 19.390 1.00 0.00 H new ATOM 0 HA VAL A 9 0.380 -6.171 22.092 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.061 -8.487 21.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.917 -8.001 19.698 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.876 -6.818 21.027 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.256 -6.372 19.420 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.208 -9.008 18.856 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.873 -7.381 18.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.763 -8.546 19.587 1.00 0.00 H new ATOM 132 N ILE A 10 2.397 -7.695 22.603 1.00 0.00 N ATOM 133 CA ILE A 10 3.746 -8.187 22.999 1.00 0.00 C ATOM 134 C ILE A 10 3.791 -9.712 22.889 1.00 0.00 C ATOM 135 O ILE A 10 2.800 -10.385 23.089 1.00 0.00 O ATOM 136 CB ILE A 10 3.921 -7.747 24.453 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.771 -6.227 24.549 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.311 -8.154 24.946 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.819 -5.802 26.018 1.00 0.00 C ATOM 0 H ILE A 10 1.640 -7.951 23.237 1.00 0.00 H new ATOM 0 HA ILE A 10 4.538 -7.793 22.362 1.00 0.00 H new ATOM 0 HB ILE A 10 3.161 -8.227 25.070 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.568 -5.736 23.991 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.828 -5.915 24.099 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.436 -7.840 25.982 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.418 -9.237 24.879 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.071 -7.675 24.328 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.712 -4.719 26.087 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.006 -6.282 26.562 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.773 -6.101 26.452 1.00 0.00 H new ATOM 151 N ALA A 11 4.927 -10.266 22.567 1.00 0.00 N ATOM 152 CA ALA A 11 5.016 -11.747 22.442 1.00 0.00 C ATOM 153 C ALA A 11 5.112 -12.393 23.826 1.00 0.00 C ATOM 154 O ALA A 11 6.105 -12.268 24.511 1.00 0.00 O ATOM 155 CB ALA A 11 6.295 -12.000 21.643 1.00 0.00 C ATOM 0 H ALA A 11 5.794 -9.760 22.386 1.00 0.00 H new ATOM 0 HA ALA A 11 4.139 -12.173 21.955 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.433 -13.073 21.507 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.217 -11.518 20.669 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.148 -11.590 22.183 1.00 0.00 H new ATOM 161 N LEU A 12 4.093 -13.094 24.239 1.00 0.00 N ATOM 162 CA LEU A 12 4.145 -13.755 25.573 1.00 0.00 C ATOM 163 C LEU A 12 5.148 -14.908 25.523 1.00 0.00 C ATOM 164 O LEU A 12 5.719 -15.299 26.521 1.00 0.00 O ATOM 165 CB LEU A 12 2.730 -14.282 25.813 1.00 0.00 C ATOM 166 CG LEU A 12 1.735 -13.121 25.748 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.345 -13.616 26.153 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.182 -12.013 26.705 1.00 0.00 C ATOM 0 H LEU A 12 3.231 -13.237 23.714 1.00 0.00 H new ATOM 0 HA LEU A 12 4.459 -13.079 26.369 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.478 -15.033 25.064 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.672 -14.770 26.786 1.00 0.00 H new ATOM 0 HG LEU A 12 1.698 -12.730 24.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.364 -12.789 26.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.027 -14.405 25.472 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.380 -14.007 27.170 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.474 -11.185 26.660 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.219 -12.404 27.722 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.172 -11.660 26.416 1.00 0.00 H new ATOM 180 N HIS A 13 5.364 -15.446 24.355 1.00 0.00 N ATOM 181 CA HIS A 13 6.330 -16.571 24.208 1.00 0.00 C ATOM 182 C HIS A 13 6.852 -16.612 22.769 1.00 0.00 C ATOM 183 O HIS A 13 6.173 -16.207 21.848 1.00 0.00 O ATOM 184 CB HIS A 13 5.519 -17.827 24.523 1.00 0.00 C ATOM 185 CG HIS A 13 5.282 -17.909 26.006 1.00 0.00 C ATOM 186 ND1 HIS A 13 6.297 -18.208 26.901 1.00 0.00 N ATOM 187 CD2 HIS A 13 4.152 -17.731 26.765 1.00 0.00 C ATOM 188 CE1 HIS A 13 5.763 -18.201 28.136 1.00 0.00 C ATOM 189 NE2 HIS A 13 4.458 -17.916 28.110 1.00 0.00 N ATOM 0 H HIS A 13 4.910 -15.153 23.490 1.00 0.00 H new ATOM 0 HA HIS A 13 7.195 -16.474 24.864 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.567 -17.801 23.992 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.052 -18.713 24.179 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.174 -17.485 26.377 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.321 -18.401 29.038 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.823 -17.849 28.905 1.00 0.00 H new ATOM 197 N SER A 14 8.043 -17.101 22.560 1.00 0.00 N ATOM 198 CA SER A 14 8.580 -17.161 21.170 1.00 0.00 C ATOM 199 C SER A 14 7.736 -18.122 20.330 1.00 0.00 C ATOM 200 O SER A 14 7.329 -19.169 20.795 1.00 0.00 O ATOM 201 CB SER A 14 10.007 -17.686 21.317 1.00 0.00 C ATOM 202 OG SER A 14 9.976 -19.089 21.536 1.00 0.00 O ATOM 0 H SER A 14 8.664 -17.459 23.285 1.00 0.00 H new ATOM 0 HA SER A 14 8.557 -16.192 20.671 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.583 -17.460 20.420 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.505 -17.188 22.149 1.00 0.00 H new ATOM 0 HG SER A 14 10.892 -19.426 21.629 1.00 0.00 H new ATOM 208 N TYR A 15 7.468 -17.784 19.098 1.00 0.00 N ATOM 209 CA TYR A 15 6.649 -18.693 18.248 1.00 0.00 C ATOM 210 C TYR A 15 7.554 -19.552 17.363 1.00 0.00 C ATOM 211 O TYR A 15 8.683 -19.203 17.084 1.00 0.00 O ATOM 212 CB TYR A 15 5.779 -17.772 17.395 1.00 0.00 C ATOM 213 CG TYR A 15 4.886 -18.611 16.515 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.711 -19.160 17.038 1.00 0.00 C ATOM 215 CD2 TYR A 15 5.232 -18.844 15.178 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.881 -19.943 16.228 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.401 -19.626 14.366 1.00 0.00 C ATOM 218 CZ TYR A 15 3.226 -20.175 14.891 1.00 0.00 C ATOM 219 OH TYR A 15 2.407 -20.947 14.091 1.00 0.00 O ATOM 0 H TYR A 15 7.778 -16.924 18.646 1.00 0.00 H new ATOM 0 HA TYR A 15 6.047 -19.379 18.844 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.177 -17.126 18.034 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.406 -17.122 16.784 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.444 -18.979 18.069 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.139 -18.421 14.773 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.975 -20.368 16.634 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.667 -19.805 13.335 1.00 0.00 H new ATOM 0 HH TYR A 15 1.478 -20.858 14.391 1.00 0.00 H new ATOM 229 N GLU A 16 7.063 -20.677 16.917 1.00 0.00 N ATOM 230 CA GLU A 16 7.890 -21.562 16.048 1.00 0.00 C ATOM 231 C GLU A 16 7.323 -21.586 14.627 1.00 0.00 C ATOM 232 O GLU A 16 6.164 -21.890 14.425 1.00 0.00 O ATOM 233 CB GLU A 16 7.794 -22.946 16.689 1.00 0.00 C ATOM 234 CG GLU A 16 8.575 -22.954 18.005 1.00 0.00 C ATOM 235 CD GLU A 16 9.006 -24.385 18.334 1.00 0.00 C ATOM 236 OE1 GLU A 16 8.891 -25.232 17.463 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.444 -24.608 19.450 1.00 0.00 O ATOM 0 H GLU A 16 6.124 -21.021 17.117 1.00 0.00 H new ATOM 0 HA GLU A 16 8.922 -21.220 15.971 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.750 -23.202 16.872 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.194 -23.701 16.012 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.450 -22.309 17.925 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.957 -22.555 18.809 1.00 0.00 H new ATOM 244 N PRO A 17 8.166 -21.258 13.687 1.00 0.00 N ATOM 245 CA PRO A 17 7.705 -21.250 12.273 1.00 0.00 C ATOM 246 C PRO A 17 7.697 -22.670 11.705 1.00 0.00 C ATOM 247 O PRO A 17 8.615 -23.080 11.021 1.00 0.00 O ATOM 248 CB PRO A 17 8.735 -20.387 11.553 1.00 0.00 C ATOM 249 CG PRO A 17 9.968 -20.486 12.389 1.00 0.00 C ATOM 250 CD PRO A 17 9.516 -20.690 13.811 1.00 0.00 C ATOM 0 HA PRO A 17 6.690 -20.869 12.162 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.914 -20.747 10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.396 -19.354 11.469 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.593 -21.316 12.059 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.568 -19.581 12.301 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.183 -21.365 14.347 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.503 -19.750 14.363 1.00 0.00 H new ATOM 258 N SER A 18 6.669 -23.426 11.978 1.00 0.00 N ATOM 259 CA SER A 18 6.607 -24.818 11.449 1.00 0.00 C ATOM 260 C SER A 18 6.155 -24.803 9.986 1.00 0.00 C ATOM 261 O SER A 18 6.068 -25.831 9.343 1.00 0.00 O ATOM 262 CB SER A 18 5.576 -25.530 12.325 1.00 0.00 C ATOM 263 OG SER A 18 4.298 -24.945 12.122 1.00 0.00 O ATOM 0 H SER A 18 5.870 -23.140 12.544 1.00 0.00 H new ATOM 0 HA SER A 18 7.576 -25.317 11.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.545 -26.591 12.079 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.860 -25.454 13.375 1.00 0.00 H new ATOM 0 HG SER A 18 4.278 -24.496 11.251 1.00 0.00 H new ATOM 269 N HIS A 19 5.866 -23.645 9.456 1.00 0.00 N ATOM 270 CA HIS A 19 5.420 -23.564 8.036 1.00 0.00 C ATOM 271 C HIS A 19 6.044 -22.341 7.358 1.00 0.00 C ATOM 272 O HIS A 19 6.681 -21.525 7.996 1.00 0.00 O ATOM 273 CB HIS A 19 3.899 -23.420 8.104 1.00 0.00 C ATOM 274 CG HIS A 19 3.305 -24.652 8.728 1.00 0.00 C ATOM 275 ND1 HIS A 19 2.966 -24.710 10.071 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.982 -25.880 8.207 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.464 -25.935 10.310 1.00 0.00 C ATOM 278 NE2 HIS A 19 2.452 -26.689 9.208 1.00 0.00 N ATOM 0 H HIS A 19 5.920 -22.752 9.945 1.00 0.00 H new ATOM 0 HA HIS A 19 5.720 -24.438 7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.632 -22.539 8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.492 -23.274 7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.118 -26.174 7.177 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.113 -26.268 11.276 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.125 -27.651 9.119 1.00 0.00 H new ATOM 286 N ASP A 20 5.867 -22.206 6.073 1.00 0.00 N ATOM 287 CA ASP A 20 6.450 -21.033 5.359 1.00 0.00 C ATOM 288 C ASP A 20 5.454 -19.871 5.348 1.00 0.00 C ATOM 289 O ASP A 20 4.326 -20.012 4.919 1.00 0.00 O ATOM 290 CB ASP A 20 6.716 -21.528 3.937 1.00 0.00 C ATOM 291 CG ASP A 20 7.468 -20.449 3.156 1.00 0.00 C ATOM 292 OD1 ASP A 20 8.686 -20.426 3.239 1.00 0.00 O ATOM 293 OD2 ASP A 20 6.816 -19.665 2.486 1.00 0.00 O ATOM 0 H ASP A 20 5.344 -22.856 5.486 1.00 0.00 H new ATOM 0 HA ASP A 20 7.357 -20.666 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.301 -22.447 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.775 -21.763 3.440 1.00 0.00 H new ATOM 298 N GLY A 21 5.861 -18.724 5.818 1.00 0.00 N ATOM 299 CA GLY A 21 4.937 -17.555 5.834 1.00 0.00 C ATOM 300 C GLY A 21 4.510 -17.262 7.274 1.00 0.00 C ATOM 301 O GLY A 21 3.657 -16.431 7.520 1.00 0.00 O ATOM 0 H GLY A 21 6.793 -18.546 6.192 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.430 -16.683 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.061 -17.762 5.219 1.00 0.00 H new ATOM 305 N ASP A 22 5.092 -17.936 8.227 1.00 0.00 N ATOM 306 CA ASP A 22 4.716 -17.693 9.649 1.00 0.00 C ATOM 307 C ASP A 22 5.799 -16.868 10.351 1.00 0.00 C ATOM 308 O ASP A 22 6.906 -16.739 9.866 1.00 0.00 O ATOM 309 CB ASP A 22 4.611 -19.084 10.275 1.00 0.00 C ATOM 310 CG ASP A 22 3.271 -19.716 9.891 1.00 0.00 C ATOM 311 OD1 ASP A 22 2.635 -19.204 8.983 1.00 0.00 O ATOM 312 OD2 ASP A 22 2.903 -20.699 10.511 1.00 0.00 O ATOM 0 H ASP A 22 5.812 -18.644 8.083 1.00 0.00 H new ATOM 0 HA ASP A 22 3.784 -17.134 9.739 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.433 -19.712 9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.695 -19.014 11.360 1.00 0.00 H new ATOM 317 N LEU A 23 5.489 -16.309 11.488 1.00 0.00 N ATOM 318 CA LEU A 23 6.499 -15.492 12.221 1.00 0.00 C ATOM 319 C LEU A 23 6.856 -16.162 13.550 1.00 0.00 C ATOM 320 O LEU A 23 6.012 -16.365 14.400 1.00 0.00 O ATOM 321 CB LEU A 23 5.815 -14.146 12.461 1.00 0.00 C ATOM 322 CG LEU A 23 6.847 -13.131 12.959 1.00 0.00 C ATOM 323 CD1 LEU A 23 7.995 -13.035 11.953 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.183 -11.762 13.108 1.00 0.00 C ATOM 0 H LEU A 23 4.579 -16.382 11.942 1.00 0.00 H new ATOM 0 HA LEU A 23 7.429 -15.382 11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.355 -13.790 11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.016 -14.258 13.194 1.00 0.00 H new ATOM 0 HG LEU A 23 7.237 -13.453 13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.730 -12.312 12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.468 -14.011 11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.606 -12.713 10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.917 -11.038 13.463 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.793 -11.440 12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.365 -11.830 13.825 1.00 0.00 H new ATOM 336 N GLY A 24 8.102 -16.508 13.737 1.00 0.00 N ATOM 337 CA GLY A 24 8.512 -17.167 15.009 1.00 0.00 C ATOM 338 C GLY A 24 9.155 -16.135 15.940 1.00 0.00 C ATOM 339 O GLY A 24 10.264 -16.310 16.402 1.00 0.00 O ATOM 0 H GLY A 24 8.853 -16.362 13.063 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.645 -17.617 15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.216 -17.973 14.802 1.00 0.00 H new ATOM 343 N PHE A 25 8.471 -15.056 16.211 1.00 0.00 N ATOM 344 CA PHE A 25 9.044 -14.005 17.102 1.00 0.00 C ATOM 345 C PHE A 25 9.509 -14.603 18.433 1.00 0.00 C ATOM 346 O PHE A 25 9.299 -15.765 18.715 1.00 0.00 O ATOM 347 CB PHE A 25 7.897 -13.015 17.330 1.00 0.00 C ATOM 348 CG PHE A 25 6.690 -13.738 17.891 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.729 -14.280 17.027 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.525 -13.857 19.277 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.610 -14.942 17.546 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.403 -14.517 19.795 1.00 0.00 C ATOM 353 CZ PHE A 25 4.447 -15.060 18.930 1.00 0.00 C ATOM 0 H PHE A 25 7.537 -14.856 15.853 1.00 0.00 H new ATOM 0 HA PHE A 25 9.919 -13.531 16.658 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.214 -12.231 18.018 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.635 -12.527 16.391 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.852 -14.187 15.958 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.263 -13.440 19.946 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.873 -15.362 16.878 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.276 -14.607 20.864 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.584 -15.570 19.331 1.00 0.00 H new ATOM 363 N GLU A 26 10.145 -13.805 19.250 1.00 0.00 N ATOM 364 CA GLU A 26 10.635 -14.308 20.566 1.00 0.00 C ATOM 365 C GLU A 26 9.751 -13.778 21.700 1.00 0.00 C ATOM 366 O GLU A 26 8.847 -12.991 21.485 1.00 0.00 O ATOM 367 CB GLU A 26 12.057 -13.760 20.693 1.00 0.00 C ATOM 368 CG GLU A 26 12.918 -14.311 19.554 1.00 0.00 C ATOM 369 CD GLU A 26 14.358 -13.819 19.720 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.580 -12.974 20.571 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.213 -14.297 18.992 1.00 0.00 O ATOM 0 H GLU A 26 10.347 -12.823 19.061 1.00 0.00 H new ATOM 0 HA GLU A 26 10.609 -15.396 20.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.043 -12.671 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.483 -14.043 21.655 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.892 -15.401 19.558 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.520 -13.986 18.593 1.00 0.00 H new ATOM 378 N LYS A 27 10.013 -14.188 22.911 1.00 0.00 N ATOM 379 CA LYS A 27 9.190 -13.702 24.053 1.00 0.00 C ATOM 380 C LYS A 27 9.490 -12.229 24.335 1.00 0.00 C ATOM 381 O LYS A 27 10.629 -11.810 24.359 1.00 0.00 O ATOM 382 CB LYS A 27 9.607 -14.570 25.240 1.00 0.00 C ATOM 383 CG LYS A 27 8.693 -14.274 26.432 1.00 0.00 C ATOM 384 CD LYS A 27 8.969 -15.284 27.548 1.00 0.00 C ATOM 385 CE LYS A 27 7.954 -15.086 28.676 1.00 0.00 C ATOM 386 NZ LYS A 27 8.664 -14.251 29.686 1.00 0.00 N ATOM 0 H LYS A 27 10.760 -14.837 23.158 1.00 0.00 H new ATOM 0 HA LYS A 27 8.121 -13.774 23.850 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.545 -15.625 24.973 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.645 -14.369 25.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.865 -13.260 26.793 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.648 -14.330 26.126 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.903 -16.300 27.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.982 -15.154 27.929 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.053 -14.589 28.315 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.643 -16.041 29.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.033 -14.071 30.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.513 -14.753 30.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.942 -13.346 29.255 1.00 0.00 H new ATOM 400 N GLY A 28 8.473 -11.445 24.551 1.00 0.00 N ATOM 401 CA GLY A 28 8.693 -10.002 24.834 1.00 0.00 C ATOM 402 C GLY A 28 8.816 -9.234 23.519 1.00 0.00 C ATOM 403 O GLY A 28 8.755 -8.021 23.495 1.00 0.00 O ATOM 0 H GLY A 28 7.497 -11.742 24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.865 -9.606 25.422 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.597 -9.872 25.429 1.00 0.00 H new ATOM 407 N GLU A 29 8.991 -9.922 22.421 1.00 0.00 N ATOM 408 CA GLU A 29 9.120 -9.202 21.122 1.00 0.00 C ATOM 409 C GLU A 29 7.820 -8.462 20.803 1.00 0.00 C ATOM 410 O GLU A 29 6.737 -8.989 20.964 1.00 0.00 O ATOM 411 CB GLU A 29 9.395 -10.289 20.082 1.00 0.00 C ATOM 412 CG GLU A 29 10.906 -10.514 19.966 1.00 0.00 C ATOM 413 CD GLU A 29 11.601 -9.184 19.667 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.197 -8.525 18.722 1.00 0.00 O ATOM 415 OE2 GLU A 29 12.525 -8.846 20.388 1.00 0.00 O ATOM 0 H GLU A 29 9.050 -10.939 22.368 1.00 0.00 H new ATOM 0 HA GLU A 29 9.915 -8.456 21.140 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.899 -11.216 20.370 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.985 -9.995 19.116 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.293 -10.938 20.893 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.117 -11.233 19.174 1.00 0.00 H new ATOM 422 N GLN A 30 7.919 -7.241 20.352 1.00 0.00 N ATOM 423 CA GLN A 30 6.689 -6.465 20.025 1.00 0.00 C ATOM 424 C GLN A 30 6.151 -6.886 18.657 1.00 0.00 C ATOM 425 O GLN A 30 6.867 -6.904 17.675 1.00 0.00 O ATOM 426 CB GLN A 30 7.137 -5.003 20.001 1.00 0.00 C ATOM 427 CG GLN A 30 7.623 -4.594 21.392 1.00 0.00 C ATOM 428 CD GLN A 30 8.111 -3.145 21.356 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.165 -2.536 20.307 1.00 0.00 O ATOM 430 NE2 GLN A 30 8.471 -2.561 22.467 1.00 0.00 N ATOM 0 H GLN A 30 8.798 -6.748 20.196 1.00 0.00 H new ATOM 0 HA GLN A 30 5.889 -6.632 20.746 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.936 -4.868 19.271 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.311 -4.364 19.691 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.815 -4.699 22.117 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.429 -5.253 21.715 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.426 -3.071 23.349 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.797 -1.595 22.453 1.00 0.00 H new ATOM 439 N LEU A 31 4.894 -7.225 18.583 1.00 0.00 N ATOM 440 CA LEU A 31 4.312 -7.646 17.278 1.00 0.00 C ATOM 441 C LEU A 31 3.097 -6.783 16.933 1.00 0.00 C ATOM 442 O LEU A 31 2.308 -6.432 17.788 1.00 0.00 O ATOM 443 CB LEU A 31 3.893 -9.102 17.483 1.00 0.00 C ATOM 444 CG LEU A 31 5.093 -10.019 17.241 1.00 0.00 C ATOM 445 CD1 LEU A 31 6.125 -9.813 18.351 1.00 0.00 C ATOM 446 CD2 LEU A 31 4.629 -11.477 17.240 1.00 0.00 C ATOM 0 H LEU A 31 4.245 -7.229 19.370 1.00 0.00 H new ATOM 0 HA LEU A 31 5.021 -7.536 16.457 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.513 -9.243 18.495 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.083 -9.358 16.800 1.00 0.00 H new ATOM 0 HG LEU A 31 5.544 -9.780 16.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.980 -10.466 18.179 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.456 -8.775 18.352 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.675 -10.051 19.315 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.484 -12.131 17.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.178 -11.716 18.203 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.894 -11.624 16.449 1.00 0.00 H new ATOM 458 N ARG A 32 2.939 -6.443 15.683 1.00 0.00 N ATOM 459 CA ARG A 32 1.772 -5.610 15.277 1.00 0.00 C ATOM 460 C ARG A 32 0.696 -6.503 14.654 1.00 0.00 C ATOM 461 O ARG A 32 0.984 -7.352 13.835 1.00 0.00 O ATOM 462 CB ARG A 32 2.331 -4.627 14.245 1.00 0.00 C ATOM 463 CG ARG A 32 1.187 -4.055 13.404 1.00 0.00 C ATOM 464 CD ARG A 32 1.728 -2.957 12.486 1.00 0.00 C ATOM 465 NE ARG A 32 0.542 -2.118 12.155 1.00 0.00 N ATOM 466 CZ ARG A 32 0.294 -1.036 12.842 1.00 0.00 C ATOM 467 NH1 ARG A 32 0.736 0.118 12.422 1.00 0.00 N ATOM 468 NH2 ARG A 32 -0.393 -1.109 13.948 1.00 0.00 N ATOM 0 H ARG A 32 3.568 -6.706 14.925 1.00 0.00 H new ATOM 0 HA ARG A 32 1.310 -5.091 16.116 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.864 -3.820 14.748 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.051 -5.131 13.601 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.727 -4.845 12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.411 -3.651 14.054 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.501 -2.371 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.177 -3.379 11.587 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.077 -2.389 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.275 0.174 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.543 0.964 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.737 -2.012 14.276 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.587 -0.264 14.485 1.00 0.00 H new ATOM 482 N ILE A 33 -0.540 -6.320 15.031 1.00 0.00 N ATOM 483 CA ILE A 33 -1.622 -7.168 14.452 1.00 0.00 C ATOM 484 C ILE A 33 -2.117 -6.570 13.132 1.00 0.00 C ATOM 485 O ILE A 33 -2.383 -5.388 13.036 1.00 0.00 O ATOM 486 CB ILE A 33 -2.736 -7.160 15.499 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.160 -7.563 16.858 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.824 -8.155 15.090 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.289 -7.648 17.885 1.00 0.00 C ATOM 0 H ILE A 33 -0.847 -5.624 15.711 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.280 -8.179 14.231 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.165 -6.160 15.569 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.653 -8.524 16.779 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.415 -6.835 17.180 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.619 -8.151 15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.233 -7.869 14.121 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.396 -9.155 15.022 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.879 -7.935 18.853 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.777 -6.677 17.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.017 -8.393 17.564 1.00 0.00 H new ATOM 501 N LEU A 34 -2.240 -7.378 12.116 1.00 0.00 N ATOM 502 CA LEU A 34 -2.717 -6.858 10.803 1.00 0.00 C ATOM 503 C LEU A 34 -4.024 -7.550 10.406 1.00 0.00 C ATOM 504 O LEU A 34 -4.872 -6.972 9.756 1.00 0.00 O ATOM 505 CB LEU A 34 -1.606 -7.203 9.812 1.00 0.00 C ATOM 506 CG LEU A 34 -0.410 -6.278 10.043 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.885 -7.031 9.730 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.524 -5.057 9.128 1.00 0.00 C ATOM 0 H LEU A 34 -2.031 -8.376 12.138 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.919 -5.787 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.304 -8.243 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.970 -7.096 8.790 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.399 -5.952 11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.738 -6.372 9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.967 -7.900 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.874 -7.357 8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.328 -4.398 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.536 -5.382 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.446 -4.520 9.351 1.00 0.00 H new ATOM 520 N GLU A 35 -4.194 -8.786 10.793 1.00 0.00 N ATOM 521 CA GLU A 35 -5.447 -9.511 10.436 1.00 0.00 C ATOM 522 C GLU A 35 -5.979 -10.276 11.650 1.00 0.00 C ATOM 523 O GLU A 35 -5.228 -10.707 12.503 1.00 0.00 O ATOM 524 CB GLU A 35 -5.040 -10.482 9.327 1.00 0.00 C ATOM 525 CG GLU A 35 -4.410 -9.701 8.172 1.00 0.00 C ATOM 526 CD GLU A 35 -4.143 -10.649 7.001 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.232 -11.849 7.204 1.00 0.00 O ATOM 528 OE2 GLU A 35 -3.852 -10.158 5.922 1.00 0.00 O ATOM 0 H GLU A 35 -3.521 -9.323 11.339 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.239 -8.834 10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.332 -11.216 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.911 -11.034 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.075 -8.896 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.479 -9.237 8.498 1.00 0.00 H new ATOM 535 N GLN A 36 -7.270 -10.447 11.735 1.00 0.00 N ATOM 536 CA GLN A 36 -7.849 -11.184 12.895 1.00 0.00 C ATOM 537 C GLN A 36 -8.920 -12.167 12.414 1.00 0.00 C ATOM 538 O GLN A 36 -10.066 -12.097 12.812 1.00 0.00 O ATOM 539 CB GLN A 36 -8.471 -10.103 13.780 1.00 0.00 C ATOM 540 CG GLN A 36 -7.360 -9.307 14.466 1.00 0.00 C ATOM 541 CD GLN A 36 -7.981 -8.257 15.390 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.085 -7.805 15.159 1.00 0.00 O ATOM 543 NE2 GLN A 36 -7.313 -7.846 16.433 1.00 0.00 N ATOM 0 H GLN A 36 -7.948 -10.109 11.053 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.100 -11.767 13.431 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.092 -9.438 13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.121 -10.559 14.527 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.718 -9.977 15.038 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.730 -8.823 13.719 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.386 -8.225 16.627 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.718 -7.145 17.054 1.00 0.00 H new ATOM 552 N SER A 37 -8.554 -13.084 11.560 1.00 0.00 N ATOM 553 CA SER A 37 -9.550 -14.072 11.053 1.00 0.00 C ATOM 554 C SER A 37 -9.063 -15.499 11.319 1.00 0.00 C ATOM 555 O SER A 37 -7.912 -15.823 11.100 1.00 0.00 O ATOM 556 CB SER A 37 -9.639 -13.807 9.550 1.00 0.00 C ATOM 557 OG SER A 37 -10.659 -14.617 8.985 1.00 0.00 O ATOM 0 H SER A 37 -7.609 -13.192 11.191 1.00 0.00 H new ATOM 0 HA SER A 37 -10.518 -13.971 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.854 -12.754 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.682 -14.024 9.075 1.00 0.00 H new ATOM 0 HG SER A 37 -10.717 -14.446 8.022 1.00 0.00 H new ATOM 563 N GLY A 38 -9.929 -16.353 11.790 1.00 0.00 N ATOM 564 CA GLY A 38 -9.515 -17.757 12.070 1.00 0.00 C ATOM 565 C GLY A 38 -8.735 -17.806 13.385 1.00 0.00 C ATOM 566 O GLY A 38 -8.480 -16.793 14.006 1.00 0.00 O ATOM 0 H GLY A 38 -10.906 -16.140 11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.392 -18.401 12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.898 -18.135 11.255 1.00 0.00 H new ATOM 570 N GLU A 39 -8.353 -18.978 13.816 1.00 0.00 N ATOM 571 CA GLU A 39 -7.590 -19.092 15.092 1.00 0.00 C ATOM 572 C GLU A 39 -6.239 -18.384 14.966 1.00 0.00 C ATOM 573 O GLU A 39 -5.677 -17.918 15.938 1.00 0.00 O ATOM 574 CB GLU A 39 -7.389 -20.593 15.301 1.00 0.00 C ATOM 575 CG GLU A 39 -8.750 -21.274 15.450 1.00 0.00 C ATOM 576 CD GLU A 39 -8.545 -22.773 15.688 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.449 -23.247 15.437 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.486 -23.418 16.118 1.00 0.00 O ATOM 0 H GLU A 39 -8.536 -19.861 13.340 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.114 -18.630 15.928 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.848 -21.019 14.456 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.783 -20.769 16.190 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.300 -20.834 16.282 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.349 -21.115 14.553 1.00 0.00 H new ATOM 585 N TRP A 40 -5.712 -18.300 13.775 1.00 0.00 N ATOM 586 CA TRP A 40 -4.396 -17.624 13.587 1.00 0.00 C ATOM 587 C TRP A 40 -4.603 -16.190 13.094 1.00 0.00 C ATOM 588 O TRP A 40 -5.524 -15.905 12.354 1.00 0.00 O ATOM 589 CB TRP A 40 -3.674 -18.453 12.524 1.00 0.00 C ATOM 590 CG TRP A 40 -3.303 -19.785 13.093 1.00 0.00 C ATOM 591 CD1 TRP A 40 -3.990 -20.933 12.897 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.170 -20.125 13.943 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.352 -21.957 13.573 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.225 -21.508 14.233 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.111 -19.375 14.484 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.262 -22.127 15.032 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.141 -19.992 15.289 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.217 -21.366 15.562 1.00 0.00 C ATOM 0 H TRP A 40 -6.135 -18.670 12.924 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.828 -17.563 14.515 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.316 -18.584 11.653 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.780 -17.929 12.185 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.890 -21.034 12.309 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.674 -22.925 13.583 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.044 -18.317 14.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.324 -23.185 15.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.668 -19.406 15.700 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.532 -21.836 16.182 1.00 0.00 H new ATOM 609 N TRP A 41 -3.750 -15.286 13.493 1.00 0.00 N ATOM 610 CA TRP A 41 -3.896 -13.872 13.043 1.00 0.00 C ATOM 611 C TRP A 41 -2.619 -13.409 12.337 1.00 0.00 C ATOM 612 O TRP A 41 -1.550 -13.939 12.557 1.00 0.00 O ATOM 613 CB TRP A 41 -4.117 -13.069 14.325 1.00 0.00 C ATOM 614 CG TRP A 41 -5.496 -13.320 14.846 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.509 -13.863 14.134 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.029 -13.048 16.174 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.630 -13.942 14.940 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.384 -13.453 16.207 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.472 -12.495 17.342 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.160 -13.314 17.359 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.250 -12.354 18.502 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.592 -12.762 18.511 1.00 0.00 C ATOM 0 H TRP A 41 -2.959 -15.465 14.111 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.716 -13.746 12.336 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.378 -13.352 15.074 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.980 -12.006 14.128 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.452 -14.183 13.104 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.529 -14.316 14.635 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.440 -12.177 17.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.192 -13.631 17.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.812 -11.929 19.393 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.185 -12.650 19.406 1.00 0.00 H new ATOM 633 N LYS A 42 -2.721 -12.418 11.493 1.00 0.00 N ATOM 634 CA LYS A 42 -1.510 -11.917 10.782 1.00 0.00 C ATOM 635 C LYS A 42 -0.902 -10.746 11.557 1.00 0.00 C ATOM 636 O LYS A 42 -1.609 -9.928 12.113 1.00 0.00 O ATOM 637 CB LYS A 42 -2.018 -11.454 9.415 1.00 0.00 C ATOM 638 CG LYS A 42 -0.828 -11.205 8.487 1.00 0.00 C ATOM 639 CD LYS A 42 -1.324 -10.582 7.180 1.00 0.00 C ATOM 640 CE LYS A 42 -0.127 -10.125 6.346 1.00 0.00 C ATOM 641 NZ LYS A 42 -0.400 -10.640 4.974 1.00 0.00 N ATOM 0 H LYS A 42 -3.590 -11.934 11.265 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.734 -12.677 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.677 -12.209 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.606 -10.542 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.109 -10.542 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.310 -12.142 8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.915 -11.307 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.977 -9.735 7.393 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.034 -9.039 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.806 -10.526 6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.378 -10.367 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.477 -11.677 5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.291 -10.236 4.622 1.00 0.00 H new ATOM 655 N ALA A 43 0.400 -10.655 11.603 1.00 0.00 N ATOM 656 CA ALA A 43 1.036 -9.532 12.351 1.00 0.00 C ATOM 657 C ALA A 43 2.443 -9.253 11.818 1.00 0.00 C ATOM 658 O ALA A 43 2.924 -9.917 10.922 1.00 0.00 O ATOM 659 CB ALA A 43 1.103 -10.016 13.799 1.00 0.00 C ATOM 0 H ALA A 43 1.048 -11.305 11.158 1.00 0.00 H new ATOM 0 HA ALA A 43 0.474 -8.604 12.249 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.560 -9.245 14.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.096 -10.223 14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.701 -10.926 13.851 1.00 0.00 H new ATOM 665 N GLN A 44 3.107 -8.274 12.371 1.00 0.00 N ATOM 666 CA GLN A 44 4.487 -7.946 11.910 1.00 0.00 C ATOM 667 C GLN A 44 5.359 -7.560 13.108 1.00 0.00 C ATOM 668 O GLN A 44 4.877 -7.037 14.093 1.00 0.00 O ATOM 669 CB GLN A 44 4.316 -6.757 10.963 1.00 0.00 C ATOM 670 CG GLN A 44 5.690 -6.169 10.630 1.00 0.00 C ATOM 671 CD GLN A 44 5.511 -4.903 9.789 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.406 -4.543 9.439 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.561 -4.207 9.450 1.00 0.00 N ATOM 0 H GLN A 44 2.752 -7.685 13.125 1.00 0.00 H new ATOM 0 HA GLN A 44 4.974 -8.788 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.813 -7.075 10.050 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.686 -5.997 11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.230 -5.936 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.288 -6.899 10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.490 -4.509 9.744 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.453 -3.361 8.891 1.00 0.00 H new ATOM 682 N SER A 45 6.637 -7.815 13.035 1.00 0.00 N ATOM 683 CA SER A 45 7.530 -7.461 14.175 1.00 0.00 C ATOM 684 C SER A 45 8.176 -6.094 13.938 1.00 0.00 C ATOM 685 O SER A 45 8.885 -5.892 12.972 1.00 0.00 O ATOM 686 CB SER A 45 8.593 -8.560 14.202 1.00 0.00 C ATOM 687 OG SER A 45 9.365 -8.443 15.387 1.00 0.00 O ATOM 0 H SER A 45 7.100 -8.252 12.238 1.00 0.00 H new ATOM 0 HA SER A 45 6.988 -7.395 15.118 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.119 -9.540 14.160 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.237 -8.479 13.326 1.00 0.00 H new ATOM 0 HG SER A 45 10.176 -7.925 15.200 1.00 0.00 H new ATOM 693 N LEU A 46 7.935 -5.153 14.810 1.00 0.00 N ATOM 694 CA LEU A 46 8.537 -3.800 14.631 1.00 0.00 C ATOM 695 C LEU A 46 10.007 -3.808 15.062 1.00 0.00 C ATOM 696 O LEU A 46 10.656 -2.782 15.101 1.00 0.00 O ATOM 697 CB LEU A 46 7.719 -2.882 15.540 1.00 0.00 C ATOM 698 CG LEU A 46 6.355 -2.613 14.900 1.00 0.00 C ATOM 699 CD1 LEU A 46 5.349 -3.658 15.384 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.871 -1.217 15.302 1.00 0.00 C ATOM 0 H LEU A 46 7.348 -5.262 15.637 1.00 0.00 H new ATOM 0 HA LEU A 46 8.515 -3.474 13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.589 -3.344 16.519 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.250 -1.943 15.699 1.00 0.00 H new ATOM 0 HG LEU A 46 6.445 -2.670 13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.378 -3.466 14.928 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.693 -4.653 15.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.258 -3.601 16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.900 -1.024 14.847 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.781 -1.161 16.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.587 -0.471 14.959 1.00 0.00 H new ATOM 712 N THR A 47 10.537 -4.957 15.382 1.00 0.00 N ATOM 713 CA THR A 47 11.966 -5.024 15.806 1.00 0.00 C ATOM 714 C THR A 47 12.848 -5.407 14.616 1.00 0.00 C ATOM 715 O THR A 47 13.951 -4.919 14.466 1.00 0.00 O ATOM 716 CB THR A 47 12.009 -6.112 16.880 1.00 0.00 C ATOM 717 OG1 THR A 47 11.672 -7.364 16.297 1.00 0.00 O ATOM 718 CG2 THR A 47 11.011 -5.778 17.988 1.00 0.00 C ATOM 0 H THR A 47 10.045 -5.850 15.369 1.00 0.00 H new ATOM 0 HA THR A 47 12.334 -4.069 16.181 1.00 0.00 H new ATOM 0 HB THR A 47 13.012 -6.166 17.303 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.446 -8.004 17.004 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.043 -6.554 18.753 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.271 -4.818 18.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.006 -5.723 17.568 1.00 0.00 H new ATOM 726 N THR A 48 12.371 -6.277 13.766 1.00 0.00 N ATOM 727 CA THR A 48 13.184 -6.687 12.585 1.00 0.00 C ATOM 728 C THR A 48 12.440 -6.348 11.291 1.00 0.00 C ATOM 729 O THR A 48 12.963 -6.497 10.205 1.00 0.00 O ATOM 730 CB THR A 48 13.353 -8.202 12.726 1.00 0.00 C ATOM 731 OG1 THR A 48 12.080 -8.827 12.650 1.00 0.00 O ATOM 732 CG2 THR A 48 14.003 -8.521 14.073 1.00 0.00 C ATOM 0 H THR A 48 11.455 -6.721 13.838 1.00 0.00 H new ATOM 0 HA THR A 48 14.144 -6.173 12.545 1.00 0.00 H new ATOM 0 HB THR A 48 13.989 -8.575 11.923 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.186 -9.797 12.738 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.123 -9.600 14.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.980 -8.041 14.128 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.370 -8.150 14.879 1.00 0.00 H new ATOM 740 N GLY A 49 11.221 -5.895 11.400 1.00 0.00 N ATOM 741 CA GLY A 49 10.443 -5.548 10.177 1.00 0.00 C ATOM 742 C GLY A 49 10.029 -6.833 9.459 1.00 0.00 C ATOM 743 O GLY A 49 10.072 -6.921 8.248 1.00 0.00 O ATOM 0 H GLY A 49 10.730 -5.750 12.282 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.560 -4.968 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.044 -4.925 9.514 1.00 0.00 H new ATOM 747 N GLN A 50 9.631 -7.833 10.197 1.00 0.00 N ATOM 748 CA GLN A 50 9.215 -9.113 9.557 1.00 0.00 C ATOM 749 C GLN A 50 7.705 -9.313 9.703 1.00 0.00 C ATOM 750 O GLN A 50 7.125 -9.009 10.726 1.00 0.00 O ATOM 751 CB GLN A 50 9.975 -10.201 10.317 1.00 0.00 C ATOM 752 CG GLN A 50 9.654 -11.568 9.708 1.00 0.00 C ATOM 753 CD GLN A 50 10.376 -12.661 10.499 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.197 -12.372 11.347 1.00 0.00 O ATOM 755 NE2 GLN A 50 10.102 -13.914 10.258 1.00 0.00 N ATOM 0 H GLN A 50 9.576 -7.819 11.215 1.00 0.00 H new ATOM 0 HA GLN A 50 9.435 -9.131 8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.047 -10.012 10.268 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.696 -10.186 11.371 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.578 -11.742 9.725 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.965 -11.595 8.664 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.413 -14.158 9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.577 -14.650 10.781 1.00 0.00 H new ATOM 764 N GLU A 51 7.066 -9.825 8.687 1.00 0.00 N ATOM 765 CA GLU A 51 5.593 -10.046 8.768 1.00 0.00 C ATOM 766 C GLU A 51 5.282 -11.541 8.651 1.00 0.00 C ATOM 767 O GLU A 51 5.843 -12.237 7.829 1.00 0.00 O ATOM 768 CB GLU A 51 5.011 -9.281 7.581 1.00 0.00 C ATOM 769 CG GLU A 51 5.425 -7.811 7.669 1.00 0.00 C ATOM 770 CD GLU A 51 4.875 -7.052 6.460 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.417 -7.703 5.535 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.921 -5.833 6.479 1.00 0.00 O ATOM 0 H GLU A 51 7.499 -10.100 7.805 1.00 0.00 H new ATOM 0 HA GLU A 51 5.173 -9.705 9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.366 -9.714 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.924 -9.364 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.046 -7.370 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.512 -7.729 7.699 1.00 0.00 H new ATOM 779 N GLY A 52 4.394 -12.038 9.466 1.00 0.00 N ATOM 780 CA GLY A 52 4.052 -13.485 9.398 1.00 0.00 C ATOM 781 C GLY A 52 2.828 -13.766 10.272 1.00 0.00 C ATOM 782 O GLY A 52 2.444 -12.964 11.100 1.00 0.00 O ATOM 0 H GLY A 52 3.891 -11.505 10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.848 -13.773 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.897 -14.085 9.735 1.00 0.00 H new ATOM 786 N PHE A 53 2.212 -14.903 10.093 1.00 0.00 N ATOM 787 CA PHE A 53 1.014 -15.239 10.914 1.00 0.00 C ATOM 788 C PHE A 53 1.426 -15.482 12.367 1.00 0.00 C ATOM 789 O PHE A 53 2.485 -16.009 12.642 1.00 0.00 O ATOM 790 CB PHE A 53 0.452 -16.519 10.292 1.00 0.00 C ATOM 791 CG PHE A 53 -0.066 -16.217 8.907 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.288 -15.554 8.744 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.676 -16.601 7.783 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.767 -15.273 7.460 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.195 -16.322 6.498 1.00 0.00 C ATOM 796 CZ PHE A 53 -1.026 -15.657 6.337 1.00 0.00 C ATOM 0 H PHE A 53 2.486 -15.613 9.414 1.00 0.00 H new ATOM 0 HA PHE A 53 0.278 -14.435 10.922 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.227 -17.284 10.244 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.350 -16.917 10.914 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.862 -15.259 9.610 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.619 -17.112 7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.709 -14.760 7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.766 -16.620 5.631 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.396 -15.440 5.346 1.00 0.00 H new ATOM 806 N ILE A 54 0.599 -15.099 13.300 1.00 0.00 N ATOM 807 CA ILE A 54 0.946 -15.306 14.734 1.00 0.00 C ATOM 808 C ILE A 54 -0.265 -15.841 15.500 1.00 0.00 C ATOM 809 O ILE A 54 -1.380 -15.409 15.285 1.00 0.00 O ATOM 810 CB ILE A 54 1.335 -13.919 15.249 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.140 -12.973 15.118 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.506 -13.380 14.425 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.229 -12.423 16.497 1.00 0.00 C ATOM 0 H ILE A 54 -0.302 -14.652 13.131 1.00 0.00 H new ATOM 0 HA ILE A 54 1.749 -16.031 14.864 1.00 0.00 H new ATOM 0 HB ILE A 54 1.629 -13.989 16.296 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.384 -12.154 14.441 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.710 -13.501 14.686 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.784 -12.392 14.791 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.357 -14.054 14.518 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.212 -13.310 13.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.080 -11.749 16.404 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.490 -13.248 17.160 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.620 -11.880 16.911 1.00 0.00 H new ATOM 825 N PRO A 55 -0.001 -16.770 16.377 1.00 0.00 N ATOM 826 CA PRO A 55 -1.116 -17.344 17.172 1.00 0.00 C ATOM 827 C PRO A 55 -1.741 -16.266 18.060 1.00 0.00 C ATOM 828 O PRO A 55 -1.086 -15.328 18.471 1.00 0.00 O ATOM 829 CB PRO A 55 -0.456 -18.431 18.009 1.00 0.00 C ATOM 830 CG PRO A 55 0.973 -18.021 18.114 1.00 0.00 C ATOM 831 CD PRO A 55 1.302 -17.243 16.868 1.00 0.00 C ATOM 0 HA PRO A 55 -1.923 -17.736 16.553 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.918 -18.507 18.993 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.553 -19.408 17.535 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.135 -17.411 19.003 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.619 -18.894 18.205 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.971 -16.410 17.085 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.802 -17.869 16.129 1.00 0.00 H new ATOM 839 N PHE A 56 -3.006 -16.388 18.349 1.00 0.00 N ATOM 840 CA PHE A 56 -3.680 -15.363 19.200 1.00 0.00 C ATOM 841 C PHE A 56 -3.493 -15.671 20.692 1.00 0.00 C ATOM 842 O PHE A 56 -4.000 -14.968 21.542 1.00 0.00 O ATOM 843 CB PHE A 56 -5.160 -15.443 18.810 1.00 0.00 C ATOM 844 CG PHE A 56 -5.814 -16.620 19.501 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.689 -17.907 18.965 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.544 -16.420 20.678 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.294 -18.994 19.607 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.150 -17.506 21.320 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.025 -18.793 20.785 1.00 0.00 C ATOM 0 H PHE A 56 -3.604 -17.152 18.034 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.264 -14.368 19.044 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.668 -14.519 19.087 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.255 -15.547 17.729 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.126 -18.061 18.056 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.640 -15.427 21.091 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.197 -19.987 19.194 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.714 -17.351 22.228 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.492 -19.631 21.280 1.00 0.00 H new ATOM 859 N ASN A 57 -2.784 -16.718 21.021 1.00 0.00 N ATOM 860 CA ASN A 57 -2.596 -17.052 22.465 1.00 0.00 C ATOM 861 C ASN A 57 -1.223 -16.585 22.968 1.00 0.00 C ATOM 862 O ASN A 57 -1.032 -16.366 24.147 1.00 0.00 O ATOM 863 CB ASN A 57 -2.712 -18.577 22.542 1.00 0.00 C ATOM 864 CG ASN A 57 -1.621 -19.226 21.688 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.825 -18.546 21.075 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.550 -20.528 21.624 1.00 0.00 N ATOM 0 H ASN A 57 -2.331 -17.351 20.362 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.335 -16.553 23.092 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.619 -18.906 23.577 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.695 -18.894 22.194 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.826 -20.972 21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.218 -21.101 22.139 1.00 0.00 H new ATOM 873 N PHE A 58 -0.263 -16.435 22.094 1.00 0.00 N ATOM 874 CA PHE A 58 1.087 -15.986 22.549 1.00 0.00 C ATOM 875 C PHE A 58 1.220 -14.467 22.422 1.00 0.00 C ATOM 876 O PHE A 58 2.252 -13.899 22.721 1.00 0.00 O ATOM 877 CB PHE A 58 2.079 -16.692 21.623 1.00 0.00 C ATOM 878 CG PHE A 58 1.838 -18.183 21.664 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.270 -18.771 22.801 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.184 -18.976 20.564 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.048 -20.153 22.838 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.962 -20.358 20.601 1.00 0.00 C ATOM 883 CZ PHE A 58 1.394 -20.947 21.737 1.00 0.00 C ATOM 0 H PHE A 58 -0.353 -16.602 21.092 1.00 0.00 H new ATOM 0 HA PHE A 58 1.265 -16.229 23.597 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.966 -16.323 20.604 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.101 -16.470 21.931 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.003 -18.158 23.649 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.622 -18.522 19.687 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.610 -20.607 23.715 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.229 -20.970 19.752 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.223 -22.013 21.764 1.00 0.00 H new ATOM 893 N VAL A 59 0.186 -13.803 21.985 1.00 0.00 N ATOM 894 CA VAL A 59 0.264 -12.320 21.846 1.00 0.00 C ATOM 895 C VAL A 59 -0.951 -11.662 22.508 1.00 0.00 C ATOM 896 O VAL A 59 -2.039 -12.203 22.504 1.00 0.00 O ATOM 897 CB VAL A 59 0.259 -12.061 20.339 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.475 -12.736 19.701 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.021 -12.634 19.728 1.00 0.00 C ATOM 0 H VAL A 59 -0.706 -14.220 21.719 1.00 0.00 H new ATOM 0 HA VAL A 59 1.151 -11.907 22.327 1.00 0.00 H new ATOM 0 HB VAL A 59 0.301 -10.988 20.155 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.472 -12.552 18.627 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.387 -12.328 20.136 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.433 -13.810 19.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.025 -12.450 18.654 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.063 -13.707 19.912 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.888 -12.154 20.182 1.00 0.00 H new ATOM 909 N ALA A 60 -0.773 -10.501 23.076 1.00 0.00 N ATOM 910 CA ALA A 60 -1.919 -9.812 23.738 1.00 0.00 C ATOM 911 C ALA A 60 -1.867 -8.308 23.458 1.00 0.00 C ATOM 912 O ALA A 60 -0.841 -7.769 23.096 1.00 0.00 O ATOM 913 CB ALA A 60 -1.738 -10.086 25.231 1.00 0.00 C ATOM 0 H ALA A 60 0.115 -10.000 23.111 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.882 -10.169 23.372 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.545 -9.610 25.789 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.759 -11.161 25.409 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.781 -9.682 25.562 1.00 0.00 H new ATOM 919 N LYS A 61 -2.968 -7.625 23.622 1.00 0.00 N ATOM 920 CA LYS A 61 -2.982 -6.156 23.365 1.00 0.00 C ATOM 921 C LYS A 61 -2.279 -5.412 24.505 1.00 0.00 C ATOM 922 O LYS A 61 -2.503 -5.685 25.668 1.00 0.00 O ATOM 923 CB LYS A 61 -4.462 -5.776 23.309 1.00 0.00 C ATOM 924 CG LYS A 61 -5.085 -6.341 22.031 1.00 0.00 C ATOM 925 CD LYS A 61 -6.504 -5.791 21.870 1.00 0.00 C ATOM 926 CE LYS A 61 -7.199 -6.506 20.709 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.514 -5.426 19.732 1.00 0.00 N ATOM 0 H LYS A 61 -3.859 -8.021 23.923 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.459 -5.894 22.445 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.982 -6.167 24.184 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.571 -4.692 23.331 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.478 -6.070 21.167 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.108 -7.430 22.075 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.069 -5.936 22.791 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.471 -4.718 21.683 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.552 -7.264 20.267 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.104 -7.015 21.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.932 -5.843 18.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.190 -4.759 20.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.641 -4.920 19.480 1.00 0.00 H new ATOM 941 N ALA A 62 -1.432 -4.474 24.180 1.00 0.00 N ATOM 942 CA ALA A 62 -0.717 -3.714 25.245 1.00 0.00 C ATOM 943 C ALA A 62 -1.724 -3.013 26.160 1.00 0.00 C ATOM 944 O ALA A 62 -1.509 -2.880 27.349 1.00 0.00 O ATOM 945 CB ALA A 62 0.133 -2.687 24.496 1.00 0.00 C ATOM 0 H ALA A 62 -1.204 -4.201 23.224 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.110 -4.361 25.878 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.692 -2.085 25.213 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.829 -3.203 23.835 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.515 -2.039 23.906 1.00 0.00 H new ATOM 951 N ASN A 63 -2.821 -2.562 25.616 1.00 0.00 N ATOM 952 CA ASN A 63 -3.841 -1.870 26.456 1.00 0.00 C ATOM 953 C ASN A 63 -5.249 -2.307 26.045 1.00 0.00 C ATOM 954 O ASN A 63 -5.544 -2.248 24.863 1.00 0.00 O ATOM 955 CB ASN A 63 -3.638 -0.380 26.177 1.00 0.00 C ATOM 956 CG ASN A 63 -4.302 0.440 27.285 1.00 0.00 C ATOM 957 OD1 ASN A 63 -4.749 -0.103 28.276 1.00 0.00 O ATOM 958 ND2 ASN A 63 -4.385 1.737 27.159 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.008 -2.692 26.919 1.00 0.00 O ATOM 0 H ASN A 63 -3.056 -2.642 24.627 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.733 -2.105 27.515 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.574 -0.150 26.127 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.066 -0.118 25.209 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.825 2.294 27.892 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.010 2.194 26.328 1.00 0.00 H new TER 966 ASN A 63