USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 64 LYS NZ :NH3+ -113:sc= 1.06! (180deg=0.23) USER MOD Set 1.2: A 65 TYR OH : rot 148:sc= 0.106 USER MOD Set 2.1: A 39 SER OG : rot 180:sc= -0.719 USER MOD Set 2.2: A 41 SER OG : rot 180:sc= -0.0314 USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -1.96 F(o=-5.5!,f=-2.1) USER MOD Set 3.2: A 105 MET CE :methyl -148:sc= -0.183 (180deg=-0.745) USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.0356 USER MOD Single : A 7 SER OG : rot 170:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -4.85! C(o=-4.9!,f=-4.9!) USER MOD Single : A 23 THR OG1 : rot 140:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -9.62! C(o=-9.6!,f=-11!) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0586 (180deg=-0.381) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 111:sc= -0.279 USER MOD Single : A 36 SER OG : rot -29:sc= 0.81 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -151:sc= 0 (180deg=-0.139) USER MOD Single : A 42 GLN : amide:sc= -5.66! C(o=-5.7!,f=-5.5!) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0735) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -11.6! C(o=-12!,f=-11!) USER MOD Single : A 55 SER OG : rot -48:sc= 1.08 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.255 F(o=-2.5!,f=-0.25) USER MOD Single : A 72 SER OG : rot -27:sc= 1.06 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.815 USER MOD Single : A 80 SER OG : rot 125:sc= -1.92 USER MOD Single : A 82 THR OG1 : rot -89:sc= 0.00576 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc=-0.000914 (180deg=-0.128) USER MOD Single : A 84 SER OG : rot 141:sc= 0.438 USER MOD Single : A 86 MET CE :methyl -128:sc= -4.94! (180deg=-9.82!) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.91! C(o=-5.6!,f=-3.9!) USER MOD Single : A 96 LYS NZ :NH3+ -124:sc= -0.129 (180deg=-0.433) USER MOD Single : A 103 GLN : amide:sc= -5.18! C(o=-5.2!,f=-11!) USER MOD Single : A 107 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.019) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 3 6.388 -7.068 -7.760 1.00 0.00 N ATOM 34 CA THR A 3 7.480 -7.950 -8.138 1.00 0.00 C ATOM 35 C THR A 3 8.663 -7.210 -8.752 1.00 0.00 C ATOM 36 O THR A 3 9.694 -7.828 -9.016 1.00 0.00 O ATOM 37 CB THR A 3 7.002 -9.030 -9.123 1.00 0.00 C ATOM 38 OG1 THR A 3 6.541 -8.419 -10.335 1.00 0.00 O ATOM 39 CG2 THR A 3 5.885 -9.858 -8.510 1.00 0.00 C ATOM 0 HA THR A 3 7.819 -8.412 -7.211 1.00 0.00 H new ATOM 0 HB THR A 3 7.842 -9.687 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.104 -7.567 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.561 -10.616 -9.223 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.247 -10.343 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.045 -9.209 -8.263 1.00 0.00 H new ATOM 47 N ASP A 4 8.531 -5.899 -8.997 1.00 0.00 N ATOM 48 CA ASP A 4 9.626 -5.110 -9.575 1.00 0.00 C ATOM 49 C ASP A 4 10.979 -5.512 -9.000 1.00 0.00 C ATOM 50 O ASP A 4 11.654 -6.377 -9.560 1.00 0.00 O ATOM 51 CB ASP A 4 9.388 -3.616 -9.346 1.00 0.00 C ATOM 52 CG ASP A 4 8.361 -3.040 -10.302 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.153 -3.252 -10.076 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.769 -2.376 -11.279 1.00 0.00 O ATOM 0 H ASP A 4 7.683 -5.366 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 4 9.642 -5.314 -10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.055 -3.457 -8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.329 -3.079 -9.462 1.00 0.00 H new ATOM 59 N ILE A 5 11.388 -4.899 -7.891 1.00 0.00 N ATOM 60 CA ILE A 5 12.665 -5.268 -7.303 1.00 0.00 C ATOM 61 C ILE A 5 12.524 -5.665 -5.836 1.00 0.00 C ATOM 62 O ILE A 5 12.645 -4.843 -4.937 1.00 0.00 O ATOM 63 CB ILE A 5 13.635 -4.076 -7.394 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.754 -3.599 -8.841 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.998 -4.431 -6.830 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.818 -2.093 -8.973 1.00 0.00 C ATOM 0 H ILE A 5 10.872 -4.170 -7.399 1.00 0.00 H new ATOM 0 HA ILE A 5 13.045 -6.125 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 5 13.231 -3.263 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.649 -4.034 -9.287 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.902 -3.970 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.660 -3.569 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.896 -4.715 -5.783 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.419 -5.264 -7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.902 -1.823 -10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.912 -1.652 -8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.686 -1.717 -8.432 1.00 0.00 H new ATOM 78 N LEU A 6 12.276 -6.946 -5.626 1.00 0.00 N ATOM 79 CA LEU A 6 12.191 -7.515 -4.292 1.00 0.00 C ATOM 80 C LEU A 6 12.003 -9.032 -4.332 1.00 0.00 C ATOM 81 O LEU A 6 11.737 -9.609 -5.387 1.00 0.00 O ATOM 82 CB LEU A 6 11.144 -6.814 -3.415 1.00 0.00 C ATOM 83 CG LEU A 6 9.778 -6.544 -4.026 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.804 -5.301 -4.901 1.00 0.00 C ATOM 85 CD2 LEU A 6 9.325 -7.755 -4.791 1.00 0.00 C ATOM 0 H LEU A 6 12.128 -7.621 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 6 13.152 -7.330 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.998 -7.418 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.561 -5.860 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 6 9.061 -6.350 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.814 -5.133 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.093 -4.439 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.524 -5.439 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.346 -7.563 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.041 -7.974 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.259 -8.608 -4.116 1.00 0.00 H new ATOM 97 N SER A 7 12.147 -9.668 -3.174 1.00 0.00 N ATOM 98 CA SER A 7 12.001 -11.120 -3.074 1.00 0.00 C ATOM 99 C SER A 7 10.573 -11.547 -3.419 1.00 0.00 C ATOM 100 O SER A 7 9.625 -11.242 -2.698 1.00 0.00 O ATOM 101 CB SER A 7 12.357 -11.595 -1.665 1.00 0.00 C ATOM 102 OG SER A 7 13.669 -11.194 -1.308 1.00 0.00 O ATOM 0 H SER A 7 12.364 -9.204 -2.292 1.00 0.00 H new ATOM 0 HA SER A 7 12.685 -11.579 -3.788 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.642 -11.189 -0.949 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.278 -12.681 -1.613 1.00 0.00 H new ATOM 0 HG SER A 7 13.815 -11.366 -0.354 1.00 0.00 H new ATOM 108 N ALA A 8 10.443 -12.265 -4.534 1.00 0.00 N ATOM 109 CA ALA A 8 9.144 -12.731 -5.020 1.00 0.00 C ATOM 110 C ALA A 8 8.444 -13.630 -4.004 1.00 0.00 C ATOM 111 O ALA A 8 7.231 -13.549 -3.816 1.00 0.00 O ATOM 112 CB ALA A 8 9.312 -13.464 -6.340 1.00 0.00 C ATOM 0 H ALA A 8 11.230 -12.539 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 8 8.515 -11.854 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.339 -13.806 -6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.748 -12.790 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.969 -14.322 -6.199 1.00 0.00 H new ATOM 118 N GLU A 9 9.215 -14.506 -3.373 1.00 0.00 N ATOM 119 CA GLU A 9 8.667 -15.433 -2.391 1.00 0.00 C ATOM 120 C GLU A 9 8.086 -14.678 -1.206 1.00 0.00 C ATOM 121 O GLU A 9 6.944 -14.904 -0.806 1.00 0.00 O ATOM 122 CB GLU A 9 9.755 -16.394 -1.919 1.00 0.00 C ATOM 123 CG GLU A 9 10.265 -17.296 -3.019 1.00 0.00 C ATOM 124 CD GLU A 9 9.196 -18.231 -3.550 1.00 0.00 C ATOM 125 OE1 GLU A 9 8.488 -17.843 -4.503 1.00 0.00 O ATOM 126 OE2 GLU A 9 9.066 -19.351 -3.012 1.00 0.00 O ATOM 0 H GLU A 9 10.220 -14.594 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 9 7.866 -16.003 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.588 -15.820 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.363 -17.007 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.647 -16.685 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.102 -17.884 -2.643 1.00 0.00 H new ATOM 133 N ASP A 10 8.884 -13.780 -0.650 1.00 0.00 N ATOM 134 CA ASP A 10 8.451 -12.970 0.473 1.00 0.00 C ATOM 135 C ASP A 10 7.173 -12.235 0.163 1.00 0.00 C ATOM 136 O ASP A 10 6.425 -11.908 1.061 1.00 0.00 O ATOM 137 CB ASP A 10 9.548 -11.978 0.862 1.00 0.00 C ATOM 138 CG ASP A 10 10.771 -12.665 1.436 1.00 0.00 C ATOM 139 OD1 ASP A 10 10.810 -12.880 2.666 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.691 -12.990 0.656 1.00 0.00 O ATOM 0 H ASP A 10 9.838 -13.595 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 10 8.257 -13.639 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.838 -11.399 -0.015 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.154 -11.273 1.594 1.00 0.00 H new ATOM 145 N ILE A 11 6.923 -11.974 -1.103 1.00 0.00 N ATOM 146 CA ILE A 11 5.714 -11.274 -1.493 1.00 0.00 C ATOM 147 C ILE A 11 4.479 -12.080 -1.074 1.00 0.00 C ATOM 148 O ILE A 11 3.572 -11.555 -0.428 1.00 0.00 O ATOM 149 CB ILE A 11 5.746 -10.973 -3.021 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.048 -9.483 -3.242 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.484 -11.417 -3.781 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.020 -9.065 -4.696 1.00 0.00 C ATOM 0 H ILE A 11 7.536 -12.233 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 11 5.657 -10.316 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 11 6.546 -11.579 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.322 -8.888 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.030 -9.255 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.590 -11.170 -4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.353 -12.494 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.614 -10.902 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.242 -8.001 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.766 -9.633 -5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.031 -9.260 -5.112 1.00 0.00 H new ATOM 164 N ALA A 12 4.458 -13.350 -1.451 1.00 0.00 N ATOM 165 CA ALA A 12 3.343 -14.222 -1.109 1.00 0.00 C ATOM 166 C ALA A 12 3.156 -14.274 0.392 1.00 0.00 C ATOM 167 O ALA A 12 2.051 -14.095 0.895 1.00 0.00 O ATOM 168 CB ALA A 12 3.574 -15.619 -1.646 1.00 0.00 C ATOM 0 H ALA A 12 5.197 -13.799 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 12 2.441 -13.815 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.730 -16.255 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.671 -15.580 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.487 -16.028 -1.214 1.00 0.00 H new ATOM 174 N ALA A 13 4.239 -14.532 1.106 1.00 0.00 N ATOM 175 CA ALA A 13 4.177 -14.579 2.560 1.00 0.00 C ATOM 176 C ALA A 13 3.796 -13.207 3.086 1.00 0.00 C ATOM 177 O ALA A 13 2.878 -13.052 3.881 1.00 0.00 O ATOM 178 CB ALA A 13 5.508 -15.021 3.143 1.00 0.00 C ATOM 0 H ALA A 13 5.162 -14.710 0.710 1.00 0.00 H new ATOM 0 HA ALA A 13 3.424 -15.306 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.438 -15.049 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.757 -16.015 2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.286 -14.317 2.848 1.00 0.00 H new ATOM 184 N ALA A 14 4.528 -12.217 2.605 1.00 0.00 N ATOM 185 CA ALA A 14 4.297 -10.827 2.973 1.00 0.00 C ATOM 186 C ALA A 14 2.819 -10.497 2.870 1.00 0.00 C ATOM 187 O ALA A 14 2.235 -9.903 3.776 1.00 0.00 O ATOM 188 CB ALA A 14 5.089 -9.902 2.055 1.00 0.00 C ATOM 0 H ALA A 14 5.298 -12.351 1.950 1.00 0.00 H new ATOM 0 HA ALA A 14 4.627 -10.681 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.909 -8.865 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.152 -10.123 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.773 -10.055 1.023 1.00 0.00 H new ATOM 194 N LEU A 15 2.222 -10.891 1.758 1.00 0.00 N ATOM 195 CA LEU A 15 0.813 -10.651 1.530 1.00 0.00 C ATOM 196 C LEU A 15 -0.030 -11.625 2.325 1.00 0.00 C ATOM 197 O LEU A 15 -0.750 -11.248 3.241 1.00 0.00 O ATOM 198 CB LEU A 15 0.479 -10.801 0.044 1.00 0.00 C ATOM 199 CG LEU A 15 -0.846 -10.169 -0.410 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.158 -10.564 -1.844 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.998 -10.561 0.502 1.00 0.00 C ATOM 0 H LEU A 15 2.696 -11.380 0.998 1.00 0.00 H new ATOM 0 HA LEU A 15 0.591 -9.634 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.288 -10.360 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.455 -11.863 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.729 -9.087 -0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.100 -10.108 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.358 -10.219 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.241 -11.649 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.917 -10.094 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.115 -11.645 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.788 -10.225 1.518 1.00 0.00 H new ATOM 213 N GLN A 16 0.117 -12.893 1.979 1.00 0.00 N ATOM 214 CA GLN A 16 -0.661 -13.985 2.541 1.00 0.00 C ATOM 215 C GLN A 16 -0.403 -14.254 4.023 1.00 0.00 C ATOM 216 O GLN A 16 -1.071 -15.102 4.614 1.00 0.00 O ATOM 217 CB GLN A 16 -0.293 -15.239 1.747 1.00 0.00 C ATOM 218 CG GLN A 16 -0.408 -15.051 0.247 1.00 0.00 C ATOM 219 CD GLN A 16 -1.819 -15.241 -0.258 1.00 0.00 C ATOM 220 OE1 GLN A 16 -2.564 -14.148 -0.333 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -2.233 -16.354 -0.584 1.00 0.00 N flip ATOM 0 H GLN A 16 0.797 -13.199 1.283 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.714 -13.712 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.728 -15.530 1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.941 -16.059 2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.064 -14.051 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.252 -15.759 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.622 -17.167 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.187 -16.462 -0.929 1.00 0.00 H new ATOM 230 N GLU A 17 0.545 -13.560 4.633 1.00 0.00 N ATOM 231 CA GLU A 17 0.873 -13.853 6.022 1.00 0.00 C ATOM 232 C GLU A 17 -0.262 -13.528 6.985 1.00 0.00 C ATOM 233 O GLU A 17 -0.943 -14.425 7.482 1.00 0.00 O ATOM 234 CB GLU A 17 2.141 -13.078 6.424 1.00 0.00 C ATOM 235 CG GLU A 17 2.357 -12.940 7.923 1.00 0.00 C ATOM 236 CD GLU A 17 3.702 -12.332 8.269 1.00 0.00 C ATOM 237 OE1 GLU A 17 4.691 -13.089 8.360 1.00 0.00 O ATOM 238 OE2 GLU A 17 3.766 -11.097 8.449 1.00 0.00 O ATOM 0 H GLU A 17 1.088 -12.810 4.205 1.00 0.00 H new ATOM 0 HA GLU A 17 1.044 -14.927 6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.008 -13.578 5.991 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.095 -12.082 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.565 -12.321 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.277 -13.922 8.389 1.00 0.00 H new ATOM 245 N CYS A 18 -0.459 -12.251 7.246 1.00 0.00 N ATOM 246 CA CYS A 18 -1.477 -11.787 8.174 1.00 0.00 C ATOM 247 C CYS A 18 -2.658 -11.115 7.486 1.00 0.00 C ATOM 248 O CYS A 18 -3.552 -10.621 8.167 1.00 0.00 O ATOM 249 CB CYS A 18 -0.850 -10.823 9.172 1.00 0.00 C ATOM 250 SG CYS A 18 -0.313 -11.597 10.715 1.00 0.00 S ATOM 0 H CYS A 18 0.084 -11.500 6.819 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.870 -12.668 8.681 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.008 -10.340 8.704 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.570 -10.039 9.404 1.00 0.00 H new ATOM 0 HG CYS A 18 0.207 -10.696 11.494 1.00 0.00 H new ATOM 256 N GLN A 19 -2.689 -11.119 6.153 1.00 0.00 N ATOM 257 CA GLN A 19 -3.710 -10.359 5.426 1.00 0.00 C ATOM 258 C GLN A 19 -5.100 -10.491 6.037 1.00 0.00 C ATOM 259 O GLN A 19 -5.515 -11.557 6.490 1.00 0.00 O ATOM 260 CB GLN A 19 -3.772 -10.819 3.970 1.00 0.00 C ATOM 261 CG GLN A 19 -4.677 -9.969 3.095 1.00 0.00 C ATOM 262 CD GLN A 19 -4.757 -10.491 1.674 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.686 -11.697 1.440 1.00 0.00 O ATOM 264 NE2 GLN A 19 -4.895 -9.584 0.712 1.00 0.00 N ATOM 0 H GLN A 19 -2.033 -11.629 5.562 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.414 -9.312 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.765 -10.809 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.119 -11.852 3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.677 -9.943 3.527 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.308 -8.943 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.950 -8.593 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.946 -9.879 -0.263 1.00 0.00 H new ATOM 273 N ASP A 20 -5.795 -9.355 6.025 1.00 0.00 N ATOM 274 CA ASP A 20 -7.138 -9.226 6.567 1.00 0.00 C ATOM 275 C ASP A 20 -7.555 -7.761 6.540 1.00 0.00 C ATOM 276 O ASP A 20 -6.711 -6.876 6.388 1.00 0.00 O ATOM 277 CB ASP A 20 -7.201 -9.763 8.000 1.00 0.00 C ATOM 278 CG ASP A 20 -7.637 -11.214 8.060 1.00 0.00 C ATOM 279 OD1 ASP A 20 -8.795 -11.502 7.693 1.00 0.00 O ATOM 280 OD2 ASP A 20 -6.819 -12.063 8.476 1.00 0.00 O ATOM 0 H ASP A 20 -5.431 -8.487 5.631 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.822 -9.813 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.220 -9.663 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.894 -9.155 8.582 1.00 0.00 H new ATOM 285 N PRO A 21 -8.853 -7.477 6.688 1.00 0.00 N ATOM 286 CA PRO A 21 -9.359 -6.108 6.689 1.00 0.00 C ATOM 287 C PRO A 21 -9.121 -5.404 8.021 1.00 0.00 C ATOM 288 O PRO A 21 -10.053 -4.859 8.610 1.00 0.00 O ATOM 289 CB PRO A 21 -10.848 -6.312 6.455 1.00 0.00 C ATOM 290 CG PRO A 21 -11.145 -7.611 7.101 1.00 0.00 C ATOM 291 CD PRO A 21 -9.939 -8.461 6.852 1.00 0.00 C ATOM 0 HA PRO A 21 -8.868 -5.478 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.434 -5.505 6.895 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.084 -6.333 5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.325 -7.487 8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.041 -8.065 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.746 -9.137 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.060 -9.078 5.962 1.00 0.00 H new ATOM 299 N ASP A 22 -7.865 -5.400 8.477 1.00 0.00 N ATOM 300 CA ASP A 22 -7.527 -4.771 9.763 1.00 0.00 C ATOM 301 C ASP A 22 -6.049 -4.920 10.166 1.00 0.00 C ATOM 302 O ASP A 22 -5.604 -4.256 11.103 1.00 0.00 O ATOM 303 CB ASP A 22 -8.378 -5.384 10.876 1.00 0.00 C ATOM 304 CG ASP A 22 -8.462 -4.493 12.100 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.443 -4.362 12.810 1.00 0.00 O ATOM 306 OD2 ASP A 22 -9.548 -3.930 12.351 1.00 0.00 O ATOM 0 H ASP A 22 -7.074 -5.817 7.986 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.727 -3.708 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.383 -5.573 10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.958 -6.349 11.161 1.00 0.00 H new ATOM 311 N THR A 23 -5.284 -5.773 9.485 1.00 0.00 N ATOM 312 CA THR A 23 -3.892 -5.995 9.864 1.00 0.00 C ATOM 313 C THR A 23 -2.882 -5.237 9.001 1.00 0.00 C ATOM 314 O THR A 23 -1.765 -5.019 9.457 1.00 0.00 O ATOM 315 CB THR A 23 -3.558 -7.491 9.802 1.00 0.00 C ATOM 316 OG1 THR A 23 -2.258 -7.731 10.354 1.00 0.00 O ATOM 317 CG2 THR A 23 -3.607 -7.988 8.365 1.00 0.00 C ATOM 0 H THR A 23 -5.600 -6.314 8.680 1.00 0.00 H new ATOM 0 HA THR A 23 -3.803 -5.610 10.880 1.00 0.00 H new ATOM 0 HB THR A 23 -4.300 -8.034 10.388 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.276 -8.553 10.887 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.368 -9.051 8.339 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.607 -7.831 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.882 -7.438 7.765 1.00 0.00 H new ATOM 325 N PHE A 24 -3.290 -4.869 7.773 1.00 0.00 N ATOM 326 CA PHE A 24 -2.452 -4.143 6.788 1.00 0.00 C ATOM 327 C PHE A 24 -2.120 -5.070 5.628 1.00 0.00 C ATOM 328 O PHE A 24 -1.094 -5.744 5.642 1.00 0.00 O ATOM 329 CB PHE A 24 -1.133 -3.584 7.348 1.00 0.00 C ATOM 330 CG PHE A 24 -1.241 -2.278 8.108 1.00 0.00 C ATOM 331 CD1 PHE A 24 -1.957 -2.162 9.295 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.589 -1.158 7.623 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.016 -0.957 9.970 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.642 0.046 8.295 1.00 0.00 C ATOM 335 CZ PHE A 24 -1.358 0.148 9.471 1.00 0.00 C ATOM 0 H PHE A 24 -4.228 -5.069 7.426 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.048 -3.285 6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.695 -4.332 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.439 -3.444 6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.473 -3.023 9.694 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.029 -1.227 6.702 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.578 -0.881 10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.124 0.908 7.901 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.403 1.089 9.998 1.00 0.00 H new ATOM 345 N GLU A 25 -2.987 -5.110 4.634 1.00 0.00 N ATOM 346 CA GLU A 25 -2.779 -5.985 3.485 1.00 0.00 C ATOM 347 C GLU A 25 -1.709 -5.489 2.506 1.00 0.00 C ATOM 348 O GLU A 25 -0.937 -6.292 1.985 1.00 0.00 O ATOM 349 CB GLU A 25 -4.088 -6.164 2.727 1.00 0.00 C ATOM 350 CG GLU A 25 -5.273 -6.452 3.618 1.00 0.00 C ATOM 351 CD GLU A 25 -6.548 -6.694 2.834 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.121 -5.713 2.315 1.00 0.00 O ATOM 353 OE2 GLU A 25 -6.971 -7.865 2.736 1.00 0.00 O ATOM 0 H GLU A 25 -3.840 -4.551 4.594 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.423 -6.930 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.290 -5.261 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.975 -6.980 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.057 -7.326 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.423 -5.614 4.299 1.00 0.00 H new ATOM 360 N PRO A 26 -1.639 -4.176 2.231 1.00 0.00 N ATOM 361 CA PRO A 26 -0.685 -3.634 1.269 1.00 0.00 C ATOM 362 C PRO A 26 0.709 -3.325 1.827 1.00 0.00 C ATOM 363 O PRO A 26 1.707 -3.835 1.328 1.00 0.00 O ATOM 364 CB PRO A 26 -1.358 -2.349 0.801 1.00 0.00 C ATOM 365 CG PRO A 26 -2.312 -1.957 1.876 1.00 0.00 C ATOM 366 CD PRO A 26 -2.476 -3.126 2.818 1.00 0.00 C ATOM 0 HA PRO A 26 -0.482 -4.368 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.621 -1.564 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.880 -2.506 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.939 -1.086 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.274 -1.679 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.150 -2.874 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.518 -3.439 2.888 1.00 0.00 H new ATOM 374 N GLN A 27 0.778 -2.481 2.844 1.00 0.00 N ATOM 375 CA GLN A 27 2.067 -2.078 3.414 1.00 0.00 C ATOM 376 C GLN A 27 2.889 -3.249 3.950 1.00 0.00 C ATOM 377 O GLN A 27 4.105 -3.289 3.770 1.00 0.00 O ATOM 378 CB GLN A 27 1.864 -1.059 4.526 1.00 0.00 C ATOM 379 CG GLN A 27 1.419 0.305 4.033 1.00 0.00 C ATOM 380 CD GLN A 27 0.072 0.265 3.345 1.00 0.00 C ATOM 381 OE1 GLN A 27 -0.013 0.169 2.120 1.00 0.00 O ATOM 382 NE2 GLN A 27 -0.989 0.319 4.136 1.00 0.00 N ATOM 0 H GLN A 27 -0.035 -2.060 3.294 1.00 0.00 H new ATOM 0 HA GLN A 27 2.630 -1.637 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.121 -1.442 5.226 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.796 -0.948 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.372 0.994 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.164 0.698 3.342 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.869 0.398 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.926 0.281 3.735 1.00 0.00 H new ATOM 391 N LYS A 28 2.233 -4.197 4.606 1.00 0.00 N ATOM 392 CA LYS A 28 2.929 -5.334 5.161 1.00 0.00 C ATOM 393 C LYS A 28 3.505 -6.142 4.022 1.00 0.00 C ATOM 394 O LYS A 28 4.623 -6.650 4.086 1.00 0.00 O ATOM 395 CB LYS A 28 1.959 -6.161 5.981 1.00 0.00 C ATOM 396 CG LYS A 28 1.731 -5.632 7.382 1.00 0.00 C ATOM 397 CD LYS A 28 0.904 -6.599 8.212 1.00 0.00 C ATOM 398 CE LYS A 28 0.822 -6.156 9.661 1.00 0.00 C ATOM 399 NZ LYS A 28 2.158 -6.160 10.319 1.00 0.00 N ATOM 0 H LYS A 28 1.225 -4.195 4.763 1.00 0.00 H new ATOM 0 HA LYS A 28 3.740 -5.013 5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.003 -6.204 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.333 -7.183 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.691 -5.461 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.224 -4.668 7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.100 -6.672 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.344 -7.595 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.396 -5.154 9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.147 -6.817 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.036 -6.154 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.681 -7.013 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.691 -5.315 10.028 1.00 0.00 H new ATOM 413 N PHE A 29 2.706 -6.244 2.978 1.00 0.00 N ATOM 414 CA PHE A 29 3.091 -6.929 1.762 1.00 0.00 C ATOM 415 C PHE A 29 4.446 -6.411 1.275 1.00 0.00 C ATOM 416 O PHE A 29 5.335 -7.173 0.898 1.00 0.00 O ATOM 417 CB PHE A 29 2.015 -6.641 0.713 1.00 0.00 C ATOM 418 CG PHE A 29 1.975 -7.589 -0.445 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.036 -8.421 -0.715 1.00 0.00 C ATOM 420 CD2 PHE A 29 0.873 -7.619 -1.281 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.007 -9.270 -1.792 1.00 0.00 C ATOM 422 CE2 PHE A 29 0.833 -8.473 -2.365 1.00 0.00 C ATOM 423 CZ PHE A 29 1.905 -9.302 -2.622 1.00 0.00 C ATOM 0 H PHE A 29 1.765 -5.851 2.951 1.00 0.00 H new ATOM 0 HA PHE A 29 3.181 -8.001 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.042 -6.652 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.167 -5.632 0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.903 -8.406 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.035 -6.967 -1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.850 -9.916 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.034 -8.492 -3.009 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.882 -9.973 -3.468 1.00 0.00 H new ATOM 433 N PHE A 30 4.590 -5.096 1.329 1.00 0.00 N ATOM 434 CA PHE A 30 5.798 -4.432 0.881 1.00 0.00 C ATOM 435 C PHE A 30 6.960 -4.708 1.815 1.00 0.00 C ATOM 436 O PHE A 30 8.006 -5.195 1.410 1.00 0.00 O ATOM 437 CB PHE A 30 5.578 -2.928 0.821 1.00 0.00 C ATOM 438 CG PHE A 30 4.375 -2.514 0.058 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.945 -3.238 -1.031 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.672 -1.382 0.439 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.829 -2.838 -1.726 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.553 -0.982 -0.255 1.00 0.00 C ATOM 443 CZ PHE A 30 2.129 -1.711 -1.340 1.00 0.00 C ATOM 0 H PHE A 30 3.873 -4.463 1.684 1.00 0.00 H new ATOM 0 HA PHE A 30 6.035 -4.822 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.498 -2.544 1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.456 -2.462 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.485 -4.121 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.006 -0.807 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.497 -3.409 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.011 -0.100 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.251 -1.404 -1.889 1.00 0.00 H new ATOM 453 N GLN A 31 6.743 -4.405 3.077 1.00 0.00 N ATOM 454 CA GLN A 31 7.771 -4.519 4.100 1.00 0.00 C ATOM 455 C GLN A 31 8.490 -5.854 4.083 1.00 0.00 C ATOM 456 O GLN A 31 9.696 -5.916 3.843 1.00 0.00 O ATOM 457 CB GLN A 31 7.133 -4.300 5.476 1.00 0.00 C ATOM 458 CG GLN A 31 8.107 -3.824 6.534 1.00 0.00 C ATOM 459 CD GLN A 31 8.473 -2.374 6.332 1.00 0.00 C ATOM 460 OE1 GLN A 31 9.434 -2.138 5.458 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 7.885 -1.478 6.937 1.00 0.00 N flip ATOM 0 H GLN A 31 5.846 -4.071 3.428 1.00 0.00 H new ATOM 0 HA GLN A 31 8.521 -3.757 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.329 -3.570 5.381 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.678 -5.233 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.666 -3.955 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.008 -4.436 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.149 -1.711 7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.134 -0.503 6.772 1.00 0.00 H new ATOM 470 N THR A 32 7.759 -6.910 4.334 1.00 0.00 N ATOM 471 CA THR A 32 8.354 -8.231 4.382 1.00 0.00 C ATOM 472 C THR A 32 9.174 -8.527 3.121 1.00 0.00 C ATOM 473 O THR A 32 10.348 -8.884 3.209 1.00 0.00 O ATOM 474 CB THR A 32 7.277 -9.317 4.595 1.00 0.00 C ATOM 475 OG1 THR A 32 6.692 -9.169 5.894 1.00 0.00 O ATOM 476 CG2 THR A 32 7.856 -10.720 4.458 1.00 0.00 C ATOM 0 H THR A 32 6.754 -6.887 4.508 1.00 0.00 H new ATOM 0 HA THR A 32 9.034 -8.249 5.234 1.00 0.00 H new ATOM 0 HB THR A 32 6.518 -9.188 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.008 -9.858 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.067 -11.456 4.615 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.276 -10.845 3.460 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.640 -10.864 5.202 1.00 0.00 H new ATOM 484 N SER A 33 8.555 -8.378 1.953 1.00 0.00 N ATOM 485 CA SER A 33 9.229 -8.670 0.687 1.00 0.00 C ATOM 486 C SER A 33 10.107 -7.539 0.153 1.00 0.00 C ATOM 487 O SER A 33 11.320 -7.697 0.028 1.00 0.00 O ATOM 488 CB SER A 33 8.224 -9.086 -0.383 1.00 0.00 C ATOM 489 OG SER A 33 8.851 -9.209 -1.647 1.00 0.00 O ATOM 0 H SER A 33 7.591 -8.058 1.855 1.00 0.00 H new ATOM 0 HA SER A 33 9.903 -9.495 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.765 -10.035 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.423 -8.349 -0.441 1.00 0.00 H new ATOM 0 HG SER A 33 8.872 -10.152 -1.911 1.00 0.00 H new ATOM 495 N GLY A 34 9.494 -6.397 -0.165 1.00 0.00 N ATOM 496 CA GLY A 34 10.248 -5.323 -0.791 1.00 0.00 C ATOM 497 C GLY A 34 10.740 -4.218 0.125 1.00 0.00 C ATOM 498 O GLY A 34 11.928 -3.957 0.184 1.00 0.00 O ATOM 0 H GLY A 34 8.506 -6.200 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.111 -5.760 -1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.624 -4.873 -1.563 1.00 0.00 H new ATOM 502 N LEU A 35 9.839 -3.581 0.853 1.00 0.00 N ATOM 503 CA LEU A 35 10.160 -2.466 1.757 1.00 0.00 C ATOM 504 C LEU A 35 11.078 -2.846 2.936 1.00 0.00 C ATOM 505 O LEU A 35 11.358 -2.009 3.793 1.00 0.00 O ATOM 506 CB LEU A 35 8.869 -1.835 2.275 1.00 0.00 C ATOM 507 CG LEU A 35 8.490 -0.508 1.618 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.586 -0.620 0.108 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.088 -0.094 2.034 1.00 0.00 C ATOM 0 H LEU A 35 8.847 -3.819 0.840 1.00 0.00 H new ATOM 0 HA LEU A 35 10.727 -1.749 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.052 -2.542 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.965 -1.677 3.349 1.00 0.00 H new ATOM 0 HG LEU A 35 9.190 0.258 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.313 0.333 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.607 -0.877 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.907 -1.397 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.832 0.853 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.376 -0.859 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.049 0.022 3.117 1.00 0.00 H new ATOM 521 N SER A 36 11.541 -4.093 2.981 1.00 0.00 N ATOM 522 CA SER A 36 12.380 -4.548 4.077 1.00 0.00 C ATOM 523 C SER A 36 13.486 -3.522 4.359 1.00 0.00 C ATOM 524 O SER A 36 13.515 -2.905 5.423 1.00 0.00 O ATOM 525 CB SER A 36 12.988 -5.902 3.728 1.00 0.00 C ATOM 526 OG SER A 36 11.982 -6.855 3.435 1.00 0.00 O ATOM 0 H SER A 36 11.348 -4.801 2.272 1.00 0.00 H new ATOM 0 HA SER A 36 11.771 -4.653 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.652 -5.795 2.870 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.596 -6.256 4.560 1.00 0.00 H new ATOM 0 HG SER A 36 11.169 -6.638 3.938 1.00 0.00 H new ATOM 532 N LYS A 37 14.390 -3.348 3.396 1.00 0.00 N ATOM 533 CA LYS A 37 15.473 -2.377 3.536 1.00 0.00 C ATOM 534 C LYS A 37 16.108 -2.038 2.196 1.00 0.00 C ATOM 535 O LYS A 37 17.328 -2.080 2.038 1.00 0.00 O ATOM 536 CB LYS A 37 16.514 -2.917 4.480 1.00 0.00 C ATOM 537 CG LYS A 37 17.049 -4.273 4.083 1.00 0.00 C ATOM 538 CD LYS A 37 17.744 -4.933 5.251 1.00 0.00 C ATOM 539 CE LYS A 37 16.933 -6.097 5.798 1.00 0.00 C ATOM 540 NZ LYS A 37 17.582 -6.713 6.989 1.00 0.00 N ATOM 0 H LYS A 37 14.394 -3.863 2.516 1.00 0.00 H new ATOM 0 HA LYS A 37 15.050 -1.456 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.343 -2.211 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.085 -2.984 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.232 -4.905 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.746 -4.166 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.726 -5.288 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.907 -4.199 6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.935 -5.750 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.810 -6.851 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.999 -7.503 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.524 -7.067 6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.677 -6.000 7.740 1.00 0.00 H new ATOM 554 N MET A 38 15.263 -1.704 1.244 1.00 0.00 N ATOM 555 CA MET A 38 15.710 -1.358 -0.100 1.00 0.00 C ATOM 556 C MET A 38 15.802 0.151 -0.310 1.00 0.00 C ATOM 557 O MET A 38 15.476 0.935 0.583 1.00 0.00 O ATOM 558 CB MET A 38 14.758 -1.949 -1.118 1.00 0.00 C ATOM 559 CG MET A 38 14.305 -3.341 -0.750 1.00 0.00 C ATOM 560 SD MET A 38 15.630 -4.555 -0.886 1.00 0.00 S ATOM 561 CE MET A 38 14.830 -5.990 -0.180 1.00 0.00 C ATOM 0 H MET A 38 14.252 -1.663 1.372 1.00 0.00 H new ATOM 0 HA MET A 38 16.711 -1.771 -0.228 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.887 -1.301 -1.214 1.00 0.00 H new ATOM 0 HB3 MET A 38 15.245 -1.975 -2.093 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.923 -3.337 0.271 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.479 -3.634 -1.398 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.579 -6.634 0.281 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.111 -5.671 0.575 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.311 -6.540 -0.965 1.00 0.00 H new ATOM 571 N SER A 39 16.248 0.549 -1.502 1.00 0.00 N ATOM 572 CA SER A 39 16.388 1.959 -1.848 1.00 0.00 C ATOM 573 C SER A 39 15.043 2.620 -2.121 1.00 0.00 C ATOM 574 O SER A 39 14.017 1.952 -2.223 1.00 0.00 O ATOM 575 CB SER A 39 17.285 2.121 -3.073 1.00 0.00 C ATOM 576 OG SER A 39 17.211 3.440 -3.588 1.00 0.00 O ATOM 0 H SER A 39 16.520 -0.092 -2.247 1.00 0.00 H new ATOM 0 HA SER A 39 16.840 2.452 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.316 1.889 -2.806 1.00 0.00 H new ATOM 0 HB3 SER A 39 16.987 1.409 -3.843 1.00 0.00 H new ATOM 0 HG SER A 39 17.795 3.519 -4.371 1.00 0.00 H new ATOM 582 N ALA A 40 15.082 3.945 -2.234 1.00 0.00 N ATOM 583 CA ALA A 40 13.893 4.759 -2.503 1.00 0.00 C ATOM 584 C ALA A 40 13.318 4.516 -3.904 1.00 0.00 C ATOM 585 O ALA A 40 12.102 4.454 -4.085 1.00 0.00 O ATOM 586 CB ALA A 40 14.219 6.234 -2.319 1.00 0.00 C ATOM 0 H ALA A 40 15.940 4.489 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 40 13.128 4.459 -1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.330 6.831 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.549 6.409 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 40 15.013 6.520 -3.009 1.00 0.00 H new ATOM 592 N SER A 41 14.201 4.385 -4.896 1.00 0.00 N ATOM 593 CA SER A 41 13.794 4.206 -6.290 1.00 0.00 C ATOM 594 C SER A 41 12.733 3.133 -6.478 1.00 0.00 C ATOM 595 O SER A 41 11.640 3.422 -6.965 1.00 0.00 O ATOM 596 CB SER A 41 15.017 3.870 -7.144 1.00 0.00 C ATOM 597 OG SER A 41 15.736 2.779 -6.599 1.00 0.00 O ATOM 0 H SER A 41 15.211 4.400 -4.757 1.00 0.00 H new ATOM 0 HA SER A 41 13.348 5.148 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.701 3.630 -8.159 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.668 4.742 -7.211 1.00 0.00 H new ATOM 0 HG SER A 41 16.512 2.583 -7.165 1.00 0.00 H new ATOM 603 N GLN A 42 13.041 1.903 -6.099 1.00 0.00 N ATOM 604 CA GLN A 42 12.074 0.821 -6.275 1.00 0.00 C ATOM 605 C GLN A 42 10.782 1.142 -5.543 1.00 0.00 C ATOM 606 O GLN A 42 9.708 0.679 -5.917 1.00 0.00 O ATOM 607 CB GLN A 42 12.624 -0.522 -5.817 1.00 0.00 C ATOM 608 CG GLN A 42 12.941 -0.585 -4.349 1.00 0.00 C ATOM 609 CD GLN A 42 13.480 -1.946 -3.955 1.00 0.00 C ATOM 610 OE1 GLN A 42 14.676 -2.206 -4.085 1.00 0.00 O ATOM 611 NE2 GLN A 42 12.602 -2.834 -3.492 1.00 0.00 N ATOM 0 H GLN A 42 13.928 1.628 -5.678 1.00 0.00 H new ATOM 0 HA GLN A 42 11.870 0.739 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.899 -1.300 -6.055 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.528 -0.745 -6.383 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.673 0.183 -4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.042 -0.367 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.619 -2.579 -3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.913 -3.770 -3.230 1.00 0.00 H new ATOM 620 N VAL A 43 10.895 1.965 -4.516 1.00 0.00 N ATOM 621 CA VAL A 43 9.729 2.348 -3.739 1.00 0.00 C ATOM 622 C VAL A 43 8.702 3.009 -4.647 1.00 0.00 C ATOM 623 O VAL A 43 7.500 2.815 -4.483 1.00 0.00 O ATOM 624 CB VAL A 43 10.060 3.307 -2.588 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.885 3.383 -1.634 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.322 2.872 -1.866 1.00 0.00 C ATOM 0 H VAL A 43 11.773 2.378 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 43 9.333 1.432 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 43 10.244 4.300 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.123 4.065 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.007 3.747 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.679 2.392 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.535 3.568 -1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.181 1.871 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.157 2.864 -2.566 1.00 0.00 H new ATOM 636 N LYS A 44 9.183 3.804 -5.599 1.00 0.00 N ATOM 637 CA LYS A 44 8.300 4.462 -6.553 1.00 0.00 C ATOM 638 C LYS A 44 7.482 3.415 -7.294 1.00 0.00 C ATOM 639 O LYS A 44 6.266 3.543 -7.441 1.00 0.00 O ATOM 640 CB LYS A 44 9.105 5.299 -7.547 1.00 0.00 C ATOM 641 CG LYS A 44 9.592 6.613 -6.969 1.00 0.00 C ATOM 642 CD LYS A 44 11.107 6.705 -6.979 1.00 0.00 C ATOM 643 CE LYS A 44 11.658 6.644 -8.388 1.00 0.00 C ATOM 644 NZ LYS A 44 11.303 7.857 -9.175 1.00 0.00 N ATOM 0 H LYS A 44 10.174 4.006 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 44 7.630 5.129 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.963 4.720 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.489 5.502 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.174 7.440 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.228 6.718 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.419 7.636 -6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.526 5.891 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.742 6.540 -8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.271 5.758 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.808 7.841 -10.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.278 7.870 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.575 8.708 -8.643 1.00 0.00 H new ATOM 658 N ASP A 45 8.169 2.375 -7.759 1.00 0.00 N ATOM 659 CA ASP A 45 7.526 1.287 -8.466 1.00 0.00 C ATOM 660 C ASP A 45 6.659 0.491 -7.503 1.00 0.00 C ATOM 661 O ASP A 45 5.532 0.119 -7.819 1.00 0.00 O ATOM 662 CB ASP A 45 8.586 0.381 -9.084 1.00 0.00 C ATOM 663 CG ASP A 45 8.698 0.556 -10.586 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.928 -0.100 -11.320 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.554 1.350 -11.029 1.00 0.00 O ATOM 0 H ASP A 45 9.178 2.269 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 45 6.897 1.692 -9.258 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.552 0.592 -8.624 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.346 -0.658 -8.860 1.00 0.00 H new ATOM 670 N ILE A 46 7.209 0.229 -6.327 1.00 0.00 N ATOM 671 CA ILE A 46 6.509 -0.498 -5.297 1.00 0.00 C ATOM 672 C ILE A 46 5.206 0.216 -4.929 1.00 0.00 C ATOM 673 O ILE A 46 4.129 -0.376 -4.947 1.00 0.00 O ATOM 674 CB ILE A 46 7.453 -0.686 -4.090 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.246 -1.974 -4.281 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.724 -0.693 -2.751 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.932 -2.088 -5.628 1.00 0.00 C ATOM 0 H ILE A 46 8.152 0.517 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 46 6.223 -1.487 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 46 8.124 0.172 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.999 -2.044 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.574 -2.823 -4.155 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.445 -0.829 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.203 0.255 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.002 -1.510 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.474 -3.032 -5.682 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.185 -2.052 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.631 -1.261 -5.751 1.00 0.00 H new ATOM 689 N PHE A 47 5.311 1.491 -4.599 1.00 0.00 N ATOM 690 CA PHE A 47 4.142 2.290 -4.253 1.00 0.00 C ATOM 691 C PHE A 47 3.017 2.078 -5.254 1.00 0.00 C ATOM 692 O PHE A 47 1.837 2.168 -4.917 1.00 0.00 O ATOM 693 CB PHE A 47 4.522 3.760 -4.234 1.00 0.00 C ATOM 694 CG PHE A 47 3.401 4.658 -3.829 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.561 4.295 -2.797 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.187 5.866 -4.475 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.530 5.118 -2.414 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.152 6.692 -4.089 1.00 0.00 C ATOM 699 CZ PHE A 47 1.331 6.314 -3.059 1.00 0.00 C ATOM 0 H PHE A 47 6.195 1.999 -4.562 1.00 0.00 H new ATOM 0 HA PHE A 47 3.794 1.977 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.357 3.903 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.870 4.050 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.715 3.356 -2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.835 6.162 -5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.876 4.825 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.990 7.632 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.522 6.961 -2.752 1.00 0.00 H new ATOM 709 N ARG A 48 3.402 1.794 -6.488 1.00 0.00 N ATOM 710 CA ARG A 48 2.435 1.580 -7.557 1.00 0.00 C ATOM 711 C ARG A 48 1.397 0.533 -7.164 1.00 0.00 C ATOM 712 O ARG A 48 0.280 0.545 -7.682 1.00 0.00 O ATOM 713 CB ARG A 48 3.134 1.183 -8.853 1.00 0.00 C ATOM 714 CG ARG A 48 4.215 2.167 -9.265 1.00 0.00 C ATOM 715 CD ARG A 48 3.688 3.595 -9.292 1.00 0.00 C ATOM 716 NE ARG A 48 2.566 3.750 -10.216 1.00 0.00 N ATOM 717 CZ ARG A 48 2.702 4.042 -11.508 1.00 0.00 C ATOM 718 NH1 ARG A 48 3.907 4.185 -12.044 1.00 0.00 N ATOM 719 NH2 ARG A 48 1.625 4.181 -12.269 1.00 0.00 N ATOM 0 H ARG A 48 4.377 1.706 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 48 1.914 2.523 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.576 0.194 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.395 1.108 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.053 2.100 -8.571 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.595 1.900 -10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.374 3.884 -8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.492 4.272 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 48 1.622 3.627 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.739 4.071 -11.465 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.001 4.409 -13.035 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.696 4.064 -11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.726 4.405 -13.259 1.00 0.00 H new ATOM 733 N PHE A 49 1.755 -0.376 -6.248 1.00 0.00 N ATOM 734 CA PHE A 49 0.806 -1.397 -5.789 1.00 0.00 C ATOM 735 C PHE A 49 -0.512 -0.720 -5.442 1.00 0.00 C ATOM 736 O PHE A 49 -1.538 -0.962 -6.078 1.00 0.00 O ATOM 737 CB PHE A 49 1.356 -2.139 -4.573 1.00 0.00 C ATOM 738 CG PHE A 49 0.476 -3.266 -4.106 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.516 -4.496 -4.745 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.388 -3.102 -3.032 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.287 -5.539 -4.324 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.193 -4.143 -2.607 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.142 -5.362 -3.255 1.00 0.00 C ATOM 0 H PHE A 49 2.678 -0.426 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 49 0.649 -2.127 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.342 -2.536 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.489 -1.431 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.183 -4.641 -5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.432 -2.151 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.246 -6.492 -4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.861 -4.003 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.771 -6.176 -2.925 1.00 0.00 H new ATOM 753 N ILE A 50 -0.471 0.130 -4.423 1.00 0.00 N ATOM 754 CA ILE A 50 -1.637 0.902 -4.042 1.00 0.00 C ATOM 755 C ILE A 50 -1.775 2.045 -5.028 1.00 0.00 C ATOM 756 O ILE A 50 -0.761 2.555 -5.501 1.00 0.00 O ATOM 757 CB ILE A 50 -1.541 1.486 -2.610 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.113 1.938 -2.272 1.00 0.00 C ATOM 759 CG2 ILE A 50 -2.038 0.480 -1.591 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.011 2.675 -0.948 1.00 0.00 C ATOM 0 H ILE A 50 0.356 0.299 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.500 0.236 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.180 2.368 -2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.539 1.065 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.253 2.585 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.963 0.908 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.078 0.231 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.431 -0.424 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.025 2.965 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.638 3.566 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.347 2.023 -0.142 1.00 0.00 H new ATOM 772 N ASP A 51 -3.018 2.382 -5.395 1.00 0.00 N ATOM 773 CA ASP A 51 -3.304 3.491 -6.333 1.00 0.00 C ATOM 774 C ASP A 51 -2.192 4.553 -6.342 1.00 0.00 C ATOM 775 O ASP A 51 -1.521 4.761 -5.338 1.00 0.00 O ATOM 776 CB ASP A 51 -4.645 4.134 -5.982 1.00 0.00 C ATOM 777 CG ASP A 51 -5.818 3.336 -6.514 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.098 3.433 -7.727 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.457 2.615 -5.719 1.00 0.00 O ATOM 0 H ASP A 51 -3.852 1.902 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.349 3.067 -7.336 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.730 4.225 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.680 5.144 -6.390 1.00 0.00 H new ATOM 784 N ASN A 52 -1.981 5.212 -7.478 1.00 0.00 N ATOM 785 CA ASN A 52 -0.913 6.205 -7.568 1.00 0.00 C ATOM 786 C ASN A 52 -1.416 7.602 -7.913 1.00 0.00 C ATOM 787 O ASN A 52 -0.973 8.587 -7.325 1.00 0.00 O ATOM 788 CB ASN A 52 0.109 5.769 -8.616 1.00 0.00 C ATOM 789 CG ASN A 52 1.277 6.728 -8.718 1.00 0.00 C ATOM 790 OD1 ASN A 52 1.938 7.029 -7.723 1.00 0.00 O ATOM 791 ND2 ASN A 52 1.531 7.224 -9.924 1.00 0.00 N ATOM 0 H ASN A 52 -2.522 5.082 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.458 6.262 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.480 4.775 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.380 5.692 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.300 7.882 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.957 6.947 -10.721 1.00 0.00 H new ATOM 798 N ASP A 53 -2.338 7.692 -8.860 1.00 0.00 N ATOM 799 CA ASP A 53 -2.854 8.988 -9.283 1.00 0.00 C ATOM 800 C ASP A 53 -4.113 9.383 -8.523 1.00 0.00 C ATOM 801 O ASP A 53 -4.057 10.164 -7.573 1.00 0.00 O ATOM 802 CB ASP A 53 -3.140 8.978 -10.786 1.00 0.00 C ATOM 803 CG ASP A 53 -1.872 8.960 -11.618 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.345 7.857 -11.873 1.00 0.00 O ATOM 805 OD2 ASP A 53 -1.408 10.050 -12.013 1.00 0.00 O ATOM 0 H ASP A 53 -2.742 6.892 -9.347 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.086 9.728 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.745 8.105 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.729 9.857 -11.046 1.00 0.00 H new ATOM 810 N GLN A 54 -5.239 8.819 -8.938 1.00 0.00 N ATOM 811 CA GLN A 54 -6.527 9.129 -8.353 1.00 0.00 C ATOM 812 C GLN A 54 -6.879 10.563 -8.687 1.00 0.00 C ATOM 813 O GLN A 54 -7.805 10.838 -9.450 1.00 0.00 O ATOM 814 CB GLN A 54 -6.514 8.929 -6.839 1.00 0.00 C ATOM 815 CG GLN A 54 -5.598 7.816 -6.361 1.00 0.00 C ATOM 816 CD GLN A 54 -6.360 6.669 -5.726 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.862 5.787 -6.421 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.437 6.664 -4.402 1.00 0.00 N ATOM 0 H GLN A 54 -5.280 8.133 -9.692 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.275 8.452 -8.765 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.210 9.862 -6.364 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.529 8.716 -6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.018 7.440 -7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.887 8.219 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.006 7.415 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.927 5.909 -3.922 1.00 0.00 H new ATOM 827 N SER A 55 -6.120 11.468 -8.100 1.00 0.00 N ATOM 828 CA SER A 55 -6.294 12.888 -8.330 1.00 0.00 C ATOM 829 C SER A 55 -5.026 13.643 -7.943 1.00 0.00 C ATOM 830 O SER A 55 -5.078 14.823 -7.595 1.00 0.00 O ATOM 831 CB SER A 55 -7.490 13.419 -7.539 1.00 0.00 C ATOM 832 OG SER A 55 -7.687 14.802 -7.781 1.00 0.00 O ATOM 0 H SER A 55 -5.367 11.240 -7.451 1.00 0.00 H new ATOM 0 HA SER A 55 -6.487 13.045 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.388 12.866 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.329 13.252 -6.474 1.00 0.00 H new ATOM 0 HG SER A 55 -6.832 15.274 -7.697 1.00 0.00 H new ATOM 838 N GLY A 56 -3.887 12.956 -8.008 1.00 0.00 N ATOM 839 CA GLY A 56 -2.627 13.580 -7.640 1.00 0.00 C ATOM 840 C GLY A 56 -2.021 12.974 -6.387 1.00 0.00 C ATOM 841 O GLY A 56 -0.829 13.132 -6.122 1.00 0.00 O ATOM 0 H GLY A 56 -3.814 11.984 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.922 13.481 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.786 14.647 -7.483 1.00 0.00 H new ATOM 845 N TYR A 57 -2.850 12.278 -5.619 1.00 0.00 N ATOM 846 CA TYR A 57 -2.424 11.656 -4.367 1.00 0.00 C ATOM 847 C TYR A 57 -3.442 10.617 -3.952 1.00 0.00 C ATOM 848 O TYR A 57 -4.531 10.541 -4.520 1.00 0.00 O ATOM 849 CB TYR A 57 -2.291 12.697 -3.236 1.00 0.00 C ATOM 850 CG TYR A 57 -2.465 14.121 -3.685 1.00 0.00 C ATOM 851 CD1 TYR A 57 -1.394 14.882 -4.131 1.00 0.00 C ATOM 852 CD2 TYR A 57 -3.718 14.686 -3.676 1.00 0.00 C ATOM 853 CE1 TYR A 57 -1.577 16.185 -4.554 1.00 0.00 C ATOM 854 CE2 TYR A 57 -3.919 15.986 -4.099 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.844 16.732 -4.537 1.00 0.00 C ATOM 856 OH TYR A 57 -3.036 18.028 -4.961 1.00 0.00 O ATOM 0 H TYR A 57 -3.834 12.128 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.449 11.197 -4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.031 12.477 -2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.310 12.591 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.404 14.450 -4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.560 14.104 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.736 16.770 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.910 16.415 -4.087 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.985 18.259 -4.887 1.00 0.00 H new ATOM 866 N LEU A 58 -3.092 9.817 -2.965 1.00 0.00 N ATOM 867 CA LEU A 58 -4.013 8.816 -2.475 1.00 0.00 C ATOM 868 C LEU A 58 -4.669 9.349 -1.215 1.00 0.00 C ATOM 869 O LEU A 58 -4.041 10.080 -0.456 1.00 0.00 O ATOM 870 CB LEU A 58 -3.296 7.505 -2.165 1.00 0.00 C ATOM 871 CG LEU A 58 -2.390 6.960 -3.268 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.594 5.775 -2.739 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.228 6.545 -4.457 1.00 0.00 C ATOM 0 H LEU A 58 -2.188 9.840 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.759 8.612 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.696 7.646 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.047 6.750 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.694 7.737 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.949 5.389 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.983 6.095 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.279 4.992 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.579 6.157 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.933 5.771 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.777 7.408 -4.834 1.00 0.00 H new ATOM 885 N ASP A 59 -5.929 9.001 -0.994 1.00 0.00 N ATOM 886 CA ASP A 59 -6.625 9.485 0.187 1.00 0.00 C ATOM 887 C ASP A 59 -7.637 8.469 0.694 1.00 0.00 C ATOM 888 O ASP A 59 -8.119 7.622 -0.056 1.00 0.00 O ATOM 889 CB ASP A 59 -7.302 10.823 -0.106 1.00 0.00 C ATOM 890 CG ASP A 59 -7.905 11.450 1.136 1.00 0.00 C ATOM 891 OD1 ASP A 59 -7.189 12.201 1.830 1.00 0.00 O ATOM 892 OD2 ASP A 59 -9.094 11.188 1.416 1.00 0.00 O ATOM 0 H ASP A 59 -6.480 8.397 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.886 9.632 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.573 11.509 -0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.083 10.676 -0.852 1.00 0.00 H new ATOM 897 N GLY A 60 -7.952 8.571 1.971 1.00 0.00 N ATOM 898 CA GLY A 60 -8.849 7.620 2.613 1.00 0.00 C ATOM 899 C GLY A 60 -10.045 7.218 1.774 1.00 0.00 C ATOM 900 O GLY A 60 -10.505 6.077 1.850 1.00 0.00 O ATOM 0 H GLY A 60 -7.601 9.303 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.284 6.724 2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.206 8.051 3.548 1.00 0.00 H new ATOM 904 N ASP A 61 -10.543 8.132 0.959 1.00 0.00 N ATOM 905 CA ASP A 61 -11.708 7.842 0.139 1.00 0.00 C ATOM 906 C ASP A 61 -11.321 6.954 -1.029 1.00 0.00 C ATOM 907 O ASP A 61 -11.978 5.957 -1.328 1.00 0.00 O ATOM 908 CB ASP A 61 -12.320 9.129 -0.397 1.00 0.00 C ATOM 909 CG ASP A 61 -13.786 8.970 -0.746 1.00 0.00 C ATOM 910 OD1 ASP A 61 -14.625 9.009 0.179 1.00 0.00 O ATOM 911 OD2 ASP A 61 -14.097 8.804 -1.944 1.00 0.00 O ATOM 0 H ASP A 61 -10.164 9.072 0.847 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.440 7.328 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.210 9.918 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.771 9.448 -1.283 1.00 0.00 H new ATOM 916 N GLU A 62 -10.238 7.344 -1.681 1.00 0.00 N ATOM 917 CA GLU A 62 -9.741 6.651 -2.852 1.00 0.00 C ATOM 918 C GLU A 62 -8.969 5.382 -2.491 1.00 0.00 C ATOM 919 O GLU A 62 -8.951 4.418 -3.255 1.00 0.00 O ATOM 920 CB GLU A 62 -8.867 7.605 -3.651 1.00 0.00 C ATOM 921 CG GLU A 62 -9.524 8.946 -3.912 1.00 0.00 C ATOM 922 CD GLU A 62 -10.606 8.873 -4.970 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.261 8.842 -6.171 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.798 8.845 -4.599 1.00 0.00 O ATOM 0 H GLU A 62 -9.679 8.153 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.593 6.332 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.932 7.765 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.613 7.141 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.955 9.321 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.765 9.663 -4.224 1.00 0.00 H new ATOM 931 N LEU A 63 -8.333 5.388 -1.321 1.00 0.00 N ATOM 932 CA LEU A 63 -7.534 4.248 -0.871 1.00 0.00 C ATOM 933 C LEU A 63 -8.255 2.921 -1.102 1.00 0.00 C ATOM 934 O LEU A 63 -7.653 1.956 -1.573 1.00 0.00 O ATOM 935 CB LEU A 63 -7.188 4.387 0.619 1.00 0.00 C ATOM 936 CG LEU A 63 -6.129 5.425 0.958 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.657 5.242 2.386 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.976 5.364 -0.027 1.00 0.00 C ATOM 0 H LEU A 63 -8.355 6.170 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.618 4.247 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.100 4.634 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.851 3.418 0.986 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.571 6.418 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.899 5.990 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.501 5.358 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.231 4.246 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.232 6.116 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.520 4.375 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.347 5.558 -1.034 1.00 0.00 H new ATOM 950 N LYS A 64 -9.537 2.873 -0.765 1.00 0.00 N ATOM 951 CA LYS A 64 -10.322 1.652 -0.933 1.00 0.00 C ATOM 952 C LYS A 64 -10.384 1.183 -2.391 1.00 0.00 C ATOM 953 O LYS A 64 -10.780 0.048 -2.657 1.00 0.00 O ATOM 954 CB LYS A 64 -11.754 1.859 -0.403 1.00 0.00 C ATOM 955 CG LYS A 64 -12.270 3.294 -0.466 1.00 0.00 C ATOM 956 CD LYS A 64 -13.719 3.383 -0.022 1.00 0.00 C ATOM 957 CE LYS A 64 -14.633 3.760 -1.169 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.475 5.189 -1.557 1.00 0.00 N ATOM 0 H LYS A 64 -10.056 3.660 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.817 0.876 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.430 1.221 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.793 1.521 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.654 3.932 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.176 3.671 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.032 2.425 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.811 4.121 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.419 3.124 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.669 3.573 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.347 5.709 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.679 5.605 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.289 5.253 -2.578 1.00 0.00 H new ATOM 972 N TYR A 65 -10.001 2.039 -3.335 1.00 0.00 N ATOM 973 CA TYR A 65 -10.021 1.654 -4.749 1.00 0.00 C ATOM 974 C TYR A 65 -8.828 0.768 -5.120 1.00 0.00 C ATOM 975 O TYR A 65 -8.856 0.080 -6.140 1.00 0.00 O ATOM 976 CB TYR A 65 -10.031 2.882 -5.662 1.00 0.00 C ATOM 977 CG TYR A 65 -11.104 3.899 -5.333 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.169 3.573 -4.504 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.043 5.187 -5.850 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.144 4.505 -4.199 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.016 6.121 -5.550 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.063 5.775 -4.725 1.00 0.00 C ATOM 983 OH TYR A 65 -14.032 6.704 -4.424 1.00 0.00 O ATOM 0 H TYR A 65 -9.678 2.989 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.939 1.085 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.057 3.369 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.164 2.552 -6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.237 2.577 -4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.223 5.462 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.966 4.238 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.956 7.118 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.633 7.599 -4.406 1.00 0.00 H new ATOM 993 N PHE A 66 -7.786 0.781 -4.291 1.00 0.00 N ATOM 994 CA PHE A 66 -6.576 0.005 -4.571 1.00 0.00 C ATOM 995 C PHE A 66 -6.915 -1.431 -4.984 1.00 0.00 C ATOM 996 O PHE A 66 -6.495 -1.896 -6.043 1.00 0.00 O ATOM 997 CB PHE A 66 -5.625 0.046 -3.344 1.00 0.00 C ATOM 998 CG PHE A 66 -5.134 -1.297 -2.851 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.395 -2.126 -3.678 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.435 -1.730 -1.572 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.961 -3.361 -3.235 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.009 -2.964 -1.124 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.270 -3.782 -1.957 1.00 0.00 C ATOM 0 H PHE A 66 -7.753 1.317 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.059 0.458 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.760 0.658 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.140 0.547 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.155 -1.804 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.011 -1.094 -0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.381 -3.996 -3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.253 -3.290 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.935 -4.748 -1.609 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.671 -2.122 -4.145 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.055 -3.495 -4.442 1.00 0.00 C ATOM 1015 C LEU A 67 -8.956 -3.522 -5.660 1.00 0.00 C ATOM 1016 O LEU A 67 -8.936 -4.457 -6.445 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.781 -4.127 -3.254 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.880 -4.592 -2.107 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.720 -5.160 -0.973 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.882 -5.632 -2.598 1.00 0.00 C ATOM 0 H LEU A 67 -8.028 -1.760 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.150 -4.069 -4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.497 -3.405 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.354 -4.982 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.325 -3.731 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.066 -5.487 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.399 -4.392 -0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.298 -6.009 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.250 -5.950 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.420 -6.493 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.261 -5.198 -3.382 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.740 -2.474 -5.802 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.658 -2.334 -6.906 1.00 0.00 C ATOM 1034 C GLN A 68 -9.919 -2.172 -8.225 1.00 0.00 C ATOM 1035 O GLN A 68 -10.357 -2.674 -9.256 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.578 -1.158 -6.621 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.762 -1.557 -5.771 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.662 -0.391 -5.417 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.777 0.574 -6.173 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.308 -0.475 -4.259 1.00 0.00 N ATOM 0 H GLN A 68 -9.756 -1.691 -5.148 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.256 -3.240 -7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.016 -0.373 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.933 -0.739 -7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.345 -2.310 -6.302 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.402 -2.022 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.183 -1.294 -3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.929 0.279 -3.966 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.795 -1.474 -8.215 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.020 -1.320 -9.434 1.00 0.00 C ATOM 1051 C LYS A 69 -7.750 -2.679 -10.071 1.00 0.00 C ATOM 1052 O LYS A 69 -8.042 -2.902 -11.246 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.688 -0.646 -9.107 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.829 0.670 -8.357 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.927 1.540 -8.941 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.722 1.769 -10.432 1.00 0.00 C ATOM 1057 NZ LYS A 69 -8.832 2.561 -11.030 1.00 0.00 N ATOM 0 H LYS A 69 -8.405 -1.013 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.588 -0.707 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.083 -1.329 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.145 -0.467 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.045 0.468 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.882 1.210 -8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.895 1.068 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.947 2.499 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.778 2.289 -10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.647 0.808 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.655 2.695 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.730 2.053 -10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.887 3.489 -10.563 1.00 0.00 H new ATOM 1071 N PHE A 70 -7.191 -3.577 -9.277 1.00 0.00 N ATOM 1072 CA PHE A 70 -6.865 -4.917 -9.748 1.00 0.00 C ATOM 1073 C PHE A 70 -8.023 -5.908 -9.531 1.00 0.00 C ATOM 1074 O PHE A 70 -8.483 -6.552 -10.473 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.553 -5.378 -9.068 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.628 -6.665 -8.280 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.501 -7.891 -8.913 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.825 -6.639 -6.909 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.568 -9.068 -8.192 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.894 -7.813 -6.182 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.765 -9.030 -6.825 1.00 0.00 C ATOM 0 H PHE A 70 -6.952 -3.404 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.712 -4.891 -10.827 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.789 -5.491 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.217 -4.586 -8.399 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.348 -7.927 -9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.926 -5.691 -6.402 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.466 -10.017 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.048 -7.779 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.818 -9.949 -6.260 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.482 -6.020 -8.290 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.556 -6.950 -7.934 1.00 0.00 C ATOM 1093 C GLN A 71 -10.952 -6.409 -8.284 1.00 0.00 C ATOM 1094 O GLN A 71 -11.941 -7.115 -8.097 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.474 -7.252 -6.435 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.347 -8.414 -5.978 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.706 -8.354 -4.500 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -10.997 -7.156 -3.995 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.749 -9.381 -3.824 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.126 -5.475 -7.505 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.417 -7.859 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.437 -7.469 -6.177 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.760 -6.358 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.264 -8.424 -6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.828 -9.351 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.519 -10.280 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.015 -9.333 -2.840 1.00 0.00 H new ATOM 1108 N SER A 72 -11.015 -5.178 -8.822 1.00 0.00 N ATOM 1109 CA SER A 72 -12.284 -4.501 -9.193 1.00 0.00 C ATOM 1110 C SER A 72 -13.532 -5.170 -8.630 1.00 0.00 C ATOM 1111 O SER A 72 -14.453 -5.539 -9.358 1.00 0.00 O ATOM 1112 CB SER A 72 -12.405 -4.394 -10.710 1.00 0.00 C ATOM 1113 OG SER A 72 -11.341 -3.637 -11.258 1.00 0.00 O ATOM 0 H SER A 72 -10.186 -4.616 -9.015 1.00 0.00 H new ATOM 0 HA SER A 72 -12.231 -3.510 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.408 -5.392 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.356 -3.929 -10.969 1.00 0.00 H new ATOM 0 HG SER A 72 -11.007 -3.007 -10.585 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.528 -5.309 -7.320 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.635 -5.908 -6.589 1.00 0.00 C ATOM 1121 C ASP A 73 -14.599 -5.438 -5.142 1.00 0.00 C ATOM 1122 O ASP A 73 -15.638 -5.184 -4.540 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.559 -7.436 -6.648 1.00 0.00 C ATOM 1124 CG ASP A 73 -15.721 -8.099 -5.936 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -15.603 -8.357 -4.719 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -16.749 -8.362 -6.594 1.00 0.00 O ATOM 0 H ASP A 73 -12.755 -5.009 -6.726 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.572 -5.596 -7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.544 -7.757 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.623 -7.768 -6.198 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.370 -5.383 -4.612 1.00 0.00 N ATOM 1132 CA ALA A 74 -13.052 -4.938 -3.246 1.00 0.00 C ATOM 1133 C ALA A 74 -14.246 -4.480 -2.417 1.00 0.00 C ATOM 1134 O ALA A 74 -15.072 -3.680 -2.855 1.00 0.00 O ATOM 1135 CB ALA A 74 -12.005 -3.833 -3.280 1.00 0.00 C ATOM 0 H ALA A 74 -12.541 -5.656 -5.139 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.669 -5.828 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.780 -3.514 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.097 -4.207 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.388 -2.986 -3.849 1.00 0.00 H new ATOM 1141 N ARG A 75 -14.267 -4.939 -1.171 1.00 0.00 N ATOM 1142 CA ARG A 75 -15.325 -4.594 -0.233 1.00 0.00 C ATOM 1143 C ARG A 75 -15.198 -3.146 0.255 1.00 0.00 C ATOM 1144 O ARG A 75 -15.990 -2.710 1.089 1.00 0.00 O ATOM 1145 CB ARG A 75 -15.272 -5.536 0.970 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.981 -5.418 1.770 1.00 0.00 C ATOM 1147 CD ARG A 75 -13.053 -6.599 1.524 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.664 -6.289 1.858 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.745 -7.216 2.111 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.069 -8.502 2.073 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.502 -6.858 2.400 1.00 0.00 N ATOM 0 H ARG A 75 -13.554 -5.558 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.278 -4.697 -0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.118 -5.326 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.384 -6.563 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.471 -4.493 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.216 -5.356 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.386 -7.450 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.116 -6.896 0.477 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.385 -5.309 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.024 -8.781 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.363 -9.212 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.249 -5.870 2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.798 -7.570 2.594 1.00 0.00 H new ATOM 1165 N GLU A 76 -14.191 -2.418 -0.260 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.923 -1.027 0.109 1.00 0.00 C ATOM 1167 C GLU A 76 -12.936 -1.008 1.250 1.00 0.00 C ATOM 1168 O GLU A 76 -13.024 -0.200 2.175 1.00 0.00 O ATOM 1169 CB GLU A 76 -15.192 -0.260 0.473 1.00 0.00 C ATOM 1170 CG GLU A 76 -16.265 -0.348 -0.596 1.00 0.00 C ATOM 1171 CD GLU A 76 -17.560 0.327 -0.187 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -18.342 -0.294 0.562 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -17.790 1.476 -0.617 1.00 0.00 O ATOM 0 H GLU A 76 -13.537 -2.788 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.502 -0.518 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.589 -0.649 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.941 0.787 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.896 0.111 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.462 -1.396 -0.821 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.982 -1.921 1.137 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.920 -2.120 2.123 1.00 0.00 C ATOM 1182 C LEU A 77 -11.363 -1.770 3.538 1.00 0.00 C ATOM 1183 O LEU A 77 -10.585 -1.275 4.347 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.699 -1.328 1.697 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.876 -2.046 0.633 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -8.492 -1.111 -0.495 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.652 -2.692 1.255 1.00 0.00 C ATOM 0 H LEU A 77 -11.920 -2.559 0.343 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.667 -3.180 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.015 -0.358 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.072 -1.137 2.568 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.494 -2.833 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.906 -1.656 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.394 -0.717 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.899 -0.287 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.076 -3.200 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.034 -1.926 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.965 -3.415 2.008 1.00 0.00 H new ATOM 1199 N THR A 78 -12.623 -2.081 3.806 1.00 0.00 N ATOM 1200 CA THR A 78 -13.267 -1.841 5.092 1.00 0.00 C ATOM 1201 C THR A 78 -12.855 -0.520 5.730 1.00 0.00 C ATOM 1202 O THR A 78 -12.080 0.257 5.178 1.00 0.00 O ATOM 1203 CB THR A 78 -12.969 -2.977 6.087 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.612 -2.888 6.539 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.203 -4.334 5.443 1.00 0.00 C ATOM 0 H THR A 78 -13.241 -2.517 3.121 1.00 0.00 H new ATOM 0 HA THR A 78 -14.335 -1.799 4.876 1.00 0.00 H new ATOM 0 HB THR A 78 -13.644 -2.873 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.514 -3.382 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.986 -5.122 6.165 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.242 -4.411 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.549 -4.444 4.578 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.451 -0.241 6.870 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.114 0.952 7.617 1.00 0.00 C ATOM 1215 C GLU A 79 -11.679 0.827 8.122 1.00 0.00 C ATOM 1216 O GLU A 79 -10.883 1.763 8.047 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.074 1.135 8.792 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.537 1.160 8.380 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.476 1.269 9.566 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -16.812 0.221 10.155 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.875 2.403 9.904 1.00 0.00 O ATOM 0 H GLU A 79 -14.170 -0.823 7.299 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.202 1.824 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.920 0.327 9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.833 2.065 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.707 2.002 7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.768 0.254 7.820 1.00 0.00 H new ATOM 1228 N SER A 80 -11.379 -0.365 8.635 1.00 0.00 N ATOM 1229 CA SER A 80 -10.076 -0.685 9.207 1.00 0.00 C ATOM 1230 C SER A 80 -8.943 -0.792 8.181 1.00 0.00 C ATOM 1231 O SER A 80 -7.910 -0.148 8.342 1.00 0.00 O ATOM 1232 CB SER A 80 -10.165 -1.988 9.998 1.00 0.00 C ATOM 1233 OG SER A 80 -8.972 -2.226 10.723 1.00 0.00 O ATOM 0 H SER A 80 -12.040 -1.141 8.665 1.00 0.00 H new ATOM 0 HA SER A 80 -9.823 0.154 9.855 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.009 -1.943 10.686 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.352 -2.818 9.317 1.00 0.00 H new ATOM 0 HG SER A 80 -9.185 -2.356 11.671 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.115 -1.595 7.127 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.041 -1.793 6.152 1.00 0.00 C ATOM 1241 C GLU A 81 -7.533 -0.488 5.546 1.00 0.00 C ATOM 1242 O GLU A 81 -6.322 -0.273 5.490 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.493 -2.736 5.037 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.489 -3.833 4.730 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.132 -3.287 4.333 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.371 -2.878 5.234 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.829 -3.269 3.122 1.00 0.00 O ATOM 0 H GLU A 81 -9.973 -2.110 6.929 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.211 -2.238 6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.442 -3.191 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.674 -2.156 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.377 -4.473 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.875 -4.458 3.925 1.00 0.00 H new ATOM 1254 N THR A 82 -8.424 0.388 5.090 1.00 0.00 N ATOM 1255 CA THR A 82 -7.971 1.642 4.513 1.00 0.00 C ATOM 1256 C THR A 82 -7.086 2.381 5.506 1.00 0.00 C ATOM 1257 O THR A 82 -6.239 3.185 5.120 1.00 0.00 O ATOM 1258 CB THR A 82 -9.136 2.547 4.097 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.974 2.829 5.223 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.955 1.902 2.989 1.00 0.00 C ATOM 0 H THR A 82 -9.435 0.256 5.108 1.00 0.00 H new ATOM 0 HA THR A 82 -7.405 1.396 3.614 1.00 0.00 H new ATOM 0 HB THR A 82 -8.720 3.482 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.669 2.142 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.776 2.563 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.319 1.728 2.121 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.358 0.952 3.340 1.00 0.00 H new ATOM 1268 N LYS A 83 -7.288 2.102 6.795 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.469 2.712 7.825 1.00 0.00 C ATOM 1270 C LYS A 83 -5.030 2.300 7.579 1.00 0.00 C ATOM 1271 O LYS A 83 -4.104 3.073 7.796 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.921 2.280 9.223 1.00 0.00 C ATOM 1273 CG LYS A 83 -6.317 3.115 10.339 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.833 2.680 11.702 1.00 0.00 C ATOM 1275 CE LYS A 83 -6.519 1.219 11.981 1.00 0.00 C ATOM 1276 NZ LYS A 83 -5.054 0.950 11.951 1.00 0.00 N ATOM 0 H LYS A 83 -8.005 1.464 7.141 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.568 3.797 7.780 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.008 2.342 9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.653 1.235 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.231 3.026 10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.554 4.167 10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.385 3.303 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.911 2.836 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.919 0.942 12.956 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.018 0.593 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.870 -0.009 12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.707 1.027 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.561 1.644 12.549 1.00 0.00 H new ATOM 1290 N SER A 84 -4.853 1.053 7.134 1.00 0.00 N ATOM 1291 CA SER A 84 -3.550 0.534 6.807 1.00 0.00 C ATOM 1292 C SER A 84 -2.921 1.427 5.760 1.00 0.00 C ATOM 1293 O SER A 84 -1.809 1.930 5.928 1.00 0.00 O ATOM 1294 CB SER A 84 -3.704 -0.886 6.284 1.00 0.00 C ATOM 1295 OG SER A 84 -4.470 -1.678 7.176 1.00 0.00 O ATOM 0 H SER A 84 -5.614 0.388 6.995 1.00 0.00 H new ATOM 0 HA SER A 84 -2.908 0.515 7.687 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.185 -0.866 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.720 -1.335 6.147 1.00 0.00 H new ATOM 0 HG SER A 84 -5.059 -2.270 6.664 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.654 1.615 4.674 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.237 2.482 3.601 1.00 0.00 C ATOM 1303 C LEU A 85 -2.994 3.880 4.172 1.00 0.00 C ATOM 1304 O LEU A 85 -2.037 4.565 3.818 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.358 2.490 2.565 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.473 1.229 1.715 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -5.540 1.405 0.648 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -3.138 0.876 1.084 1.00 0.00 C ATOM 0 H LEU A 85 -4.556 1.166 4.518 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.313 2.143 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.305 2.647 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.211 3.342 1.902 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.766 0.405 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.610 0.496 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.501 1.601 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.276 2.244 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.247 -0.027 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.808 1.697 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.400 0.704 1.867 1.00 0.00 H new ATOM 1320 N MET A 86 -3.883 4.267 5.078 1.00 0.00 N ATOM 1321 CA MET A 86 -3.802 5.534 5.767 1.00 0.00 C ATOM 1322 C MET A 86 -2.480 5.641 6.528 1.00 0.00 C ATOM 1323 O MET A 86 -1.764 6.638 6.431 1.00 0.00 O ATOM 1324 CB MET A 86 -4.977 5.646 6.732 1.00 0.00 C ATOM 1325 CG MET A 86 -5.330 7.070 7.038 1.00 0.00 C ATOM 1326 SD MET A 86 -7.037 7.473 6.649 1.00 0.00 S ATOM 1327 CE MET A 86 -6.914 7.560 4.871 1.00 0.00 C ATOM 0 H MET A 86 -4.685 3.700 5.353 1.00 0.00 H new ATOM 0 HA MET A 86 -3.844 6.347 5.042 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.844 5.143 6.304 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.733 5.127 7.659 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.149 7.264 8.095 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.670 7.730 6.476 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.330 8.505 4.523 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.867 7.494 4.575 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.469 6.734 4.427 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.176 4.590 7.286 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.949 4.491 8.080 1.00 0.00 C ATOM 1339 C ASP A 87 0.304 4.315 7.211 1.00 0.00 C ATOM 1340 O ASP A 87 1.423 4.277 7.725 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.058 3.308 9.032 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.209 3.447 10.008 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -2.197 4.406 10.809 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -3.125 2.599 9.970 1.00 0.00 O ATOM 0 H ASP A 87 -2.780 3.773 7.369 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.843 5.427 8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.185 2.393 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.126 3.207 9.588 1.00 0.00 H new ATOM 1349 N ALA A 88 0.112 4.209 5.903 1.00 0.00 N ATOM 1350 CA ALA A 88 1.209 3.982 4.970 1.00 0.00 C ATOM 1351 C ALA A 88 2.178 5.163 4.859 1.00 0.00 C ATOM 1352 O ALA A 88 3.346 4.971 4.524 1.00 0.00 O ATOM 1353 CB ALA A 88 0.634 3.646 3.611 1.00 0.00 C ATOM 0 H ALA A 88 -0.804 4.277 5.460 1.00 0.00 H new ATOM 0 HA ALA A 88 1.798 3.152 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.446 3.474 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.023 2.747 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.018 4.475 3.261 1.00 0.00 H new ATOM 1359 N ALA A 89 1.708 6.379 5.131 1.00 0.00 N ATOM 1360 CA ALA A 89 2.580 7.551 5.024 1.00 0.00 C ATOM 1361 C ALA A 89 2.032 8.765 5.773 1.00 0.00 C ATOM 1362 O ALA A 89 2.452 9.056 6.893 1.00 0.00 O ATOM 1363 CB ALA A 89 2.808 7.897 3.558 1.00 0.00 C ATOM 0 H ALA A 89 0.751 6.579 5.421 1.00 0.00 H new ATOM 0 HA ALA A 89 3.528 7.290 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.457 8.770 3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.278 7.053 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.852 8.117 3.083 1.00 0.00 H new ATOM 1369 N ASP A 90 1.093 9.469 5.149 1.00 0.00 N ATOM 1370 CA ASP A 90 0.506 10.658 5.762 1.00 0.00 C ATOM 1371 C ASP A 90 -0.725 10.256 6.561 1.00 0.00 C ATOM 1372 O ASP A 90 -1.858 10.449 6.122 1.00 0.00 O ATOM 1373 CB ASP A 90 0.152 11.702 4.708 1.00 0.00 C ATOM 1374 CG ASP A 90 0.337 13.117 5.220 1.00 0.00 C ATOM 1375 OD1 ASP A 90 -0.462 13.545 6.079 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.285 13.794 4.769 1.00 0.00 O ATOM 0 H ASP A 90 0.724 9.240 4.226 1.00 0.00 H new ATOM 0 HA ASP A 90 1.238 11.109 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.775 11.552 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.883 11.563 4.394 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.488 9.699 7.736 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.569 9.216 8.591 1.00 0.00 C ATOM 1383 C ASN A 91 -1.883 10.172 9.738 1.00 0.00 C ATOM 1384 O ASN A 91 -3.033 10.566 9.934 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.244 7.823 9.152 1.00 0.00 C ATOM 1386 CG ASN A 91 0.239 7.496 9.123 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.696 6.928 8.010 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.964 7.751 10.084 1.00 0.00 N flip ATOM 0 H ASN A 91 0.446 9.568 8.125 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.455 9.156 7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.603 7.759 10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.786 7.072 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.571 8.187 10.918 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.958 7.526 10.047 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.855 10.539 10.491 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.024 11.410 11.648 1.00 0.00 C ATOM 1397 C ASP A 92 -1.242 12.875 11.272 1.00 0.00 C ATOM 1398 O ASP A 92 -1.313 13.728 12.158 1.00 0.00 O ATOM 1399 CB ASP A 92 0.193 11.295 12.566 1.00 0.00 C ATOM 1400 CG ASP A 92 0.055 12.137 13.818 1.00 0.00 C ATOM 1401 OD1 ASP A 92 0.468 13.315 13.790 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -0.468 11.619 14.827 1.00 0.00 O ATOM 0 H ASP A 92 0.107 10.247 10.321 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.925 11.075 12.162 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.335 10.252 12.847 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.086 11.603 12.021 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.347 13.187 9.984 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.548 14.574 9.604 1.00 0.00 C ATOM 1409 C GLY A 93 -2.661 14.786 8.590 1.00 0.00 C ATOM 1410 O GLY A 93 -3.819 14.980 8.959 1.00 0.00 O ATOM 0 H GLY A 93 -1.298 12.522 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.771 15.156 10.498 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.617 14.965 9.193 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.304 14.748 7.310 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.263 14.976 6.231 1.00 0.00 C ATOM 1416 C ASP A 94 -4.172 13.772 5.986 1.00 0.00 C ATOM 1417 O ASP A 94 -5.397 13.896 6.011 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.530 15.338 4.939 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.783 16.653 5.044 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -0.623 16.642 5.508 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -2.358 17.695 4.663 1.00 0.00 O ATOM 0 H ASP A 94 -1.353 14.561 6.992 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.897 15.805 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.827 14.543 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.249 15.396 4.122 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.571 12.609 5.751 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.352 11.415 5.474 1.00 0.00 C ATOM 1428 C GLY A 95 -4.209 10.956 4.034 1.00 0.00 C ATOM 1429 O GLY A 95 -5.005 10.151 3.551 1.00 0.00 O ATOM 0 H GLY A 95 -2.560 12.472 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.036 10.614 6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.402 11.613 5.688 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.187 11.466 3.345 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.945 11.103 1.955 1.00 0.00 C ATOM 1435 C LYS A 96 -1.697 10.232 1.829 1.00 0.00 C ATOM 1436 O LYS A 96 -0.807 10.278 2.673 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.827 12.385 1.085 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.555 12.525 0.228 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.281 12.738 1.052 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.511 13.668 2.235 1.00 0.00 C ATOM 1441 NZ LYS A 96 -1.010 15.002 1.802 1.00 0.00 N ATOM 0 H LYS A 96 -2.516 12.131 3.730 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.790 10.517 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.691 12.426 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.890 13.251 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.438 11.629 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.679 13.364 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.081 11.776 1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.498 13.152 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.230 13.216 2.918 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.421 13.790 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.377 15.744 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.034 15.043 0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.968 15.153 2.177 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.648 9.436 0.771 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.489 8.602 0.514 1.00 0.00 C ATOM 1457 C ILE A 97 0.013 8.800 -0.906 1.00 0.00 C ATOM 1458 O ILE A 97 -0.619 8.348 -1.846 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.765 7.100 0.676 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.446 6.784 1.999 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.544 6.333 0.562 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.641 7.178 3.216 1.00 0.00 C ATOM 0 H ILE A 97 -2.395 9.352 0.081 1.00 0.00 H new ATOM 0 HA ILE A 97 0.248 8.912 1.255 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.447 6.794 -0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.408 7.295 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.652 5.715 2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.352 5.266 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.990 6.518 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.229 6.664 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.195 6.920 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.311 6.647 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.457 8.252 3.198 1.00 0.00 H new ATOM 1474 N GLY A 98 1.088 9.554 -1.059 1.00 0.00 N ATOM 1475 CA GLY A 98 1.711 9.735 -2.356 1.00 0.00 C ATOM 1476 C GLY A 98 3.072 9.068 -2.407 1.00 0.00 C ATOM 1477 O GLY A 98 3.584 8.633 -1.384 1.00 0.00 O ATOM 0 H GLY A 98 1.548 10.052 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.069 9.318 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.816 10.799 -2.567 1.00 0.00 H new ATOM 1481 N ALA A 99 3.657 8.977 -3.590 1.00 0.00 N ATOM 1482 CA ALA A 99 4.960 8.332 -3.727 1.00 0.00 C ATOM 1483 C ALA A 99 5.971 8.949 -2.763 1.00 0.00 C ATOM 1484 O ALA A 99 6.688 8.236 -2.061 1.00 0.00 O ATOM 1485 CB ALA A 99 5.450 8.438 -5.159 1.00 0.00 C ATOM 0 H ALA A 99 3.261 9.334 -4.459 1.00 0.00 H new ATOM 0 HA ALA A 99 4.853 7.277 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.422 7.953 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.739 7.949 -5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.542 9.488 -5.435 1.00 0.00 H new ATOM 1491 N ASP A 100 6.022 10.276 -2.734 1.00 0.00 N ATOM 1492 CA ASP A 100 6.928 10.985 -1.836 1.00 0.00 C ATOM 1493 C ASP A 100 6.617 10.631 -0.386 1.00 0.00 C ATOM 1494 O ASP A 100 7.510 10.281 0.381 1.00 0.00 O ATOM 1495 CB ASP A 100 6.831 12.496 -2.057 1.00 0.00 C ATOM 1496 CG ASP A 100 5.505 13.077 -1.610 1.00 0.00 C ATOM 1497 OD1 ASP A 100 4.469 12.721 -2.209 1.00 0.00 O ATOM 1498 OD2 ASP A 100 5.504 13.888 -0.662 1.00 0.00 O ATOM 0 H ASP A 100 5.448 10.882 -3.320 1.00 0.00 H new ATOM 0 HA ASP A 100 7.950 10.675 -2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.638 12.989 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.978 12.713 -3.115 1.00 0.00 H new ATOM 1503 N GLU A 101 5.342 10.717 -0.025 1.00 0.00 N ATOM 1504 CA GLU A 101 4.892 10.387 1.324 1.00 0.00 C ATOM 1505 C GLU A 101 5.229 8.929 1.622 1.00 0.00 C ATOM 1506 O GLU A 101 5.832 8.611 2.644 1.00 0.00 O ATOM 1507 CB GLU A 101 3.377 10.631 1.432 1.00 0.00 C ATOM 1508 CG GLU A 101 2.962 11.959 2.074 1.00 0.00 C ATOM 1509 CD GLU A 101 4.023 13.044 2.003 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.973 13.002 2.814 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.897 13.940 1.144 1.00 0.00 O ATOM 0 H GLU A 101 4.595 11.015 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 101 5.397 11.020 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.948 10.582 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.937 9.817 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.057 12.319 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.710 11.781 3.119 1.00 0.00 H new ATOM 1518 N PHE A 102 4.820 8.046 0.720 1.00 0.00 N ATOM 1519 CA PHE A 102 5.107 6.625 0.846 1.00 0.00 C ATOM 1520 C PHE A 102 6.608 6.405 1.031 1.00 0.00 C ATOM 1521 O PHE A 102 7.030 5.653 1.908 1.00 0.00 O ATOM 1522 CB PHE A 102 4.609 5.870 -0.388 1.00 0.00 C ATOM 1523 CG PHE A 102 4.804 4.390 -0.269 1.00 0.00 C ATOM 1524 CD1 PHE A 102 6.075 3.847 -0.302 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.720 3.544 -0.103 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.263 2.488 -0.174 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.902 2.181 0.021 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.176 1.652 -0.014 1.00 0.00 C ATOM 0 H PHE A 102 4.285 8.293 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 102 4.586 6.240 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.551 6.083 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.136 6.233 -1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.930 4.495 -0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.722 3.955 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.261 2.077 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.049 1.530 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.322 0.586 0.084 1.00 0.00 H new ATOM 1538 N GLN A 103 7.409 7.070 0.198 1.00 0.00 N ATOM 1539 CA GLN A 103 8.865 6.958 0.280 1.00 0.00 C ATOM 1540 C GLN A 103 9.356 7.311 1.682 1.00 0.00 C ATOM 1541 O GLN A 103 10.370 6.790 2.144 1.00 0.00 O ATOM 1542 CB GLN A 103 9.528 7.880 -0.740 1.00 0.00 C ATOM 1543 CG GLN A 103 9.318 7.450 -2.173 1.00 0.00 C ATOM 1544 CD GLN A 103 10.521 6.733 -2.752 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.221 6.004 -2.050 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.776 6.951 -4.036 1.00 0.00 N ATOM 0 H GLN A 103 7.075 7.690 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 103 9.136 5.925 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.138 8.890 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.598 7.924 -0.536 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.449 6.794 -2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.095 8.326 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.168 7.563 -4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.580 6.506 -4.479 1.00 0.00 H new ATOM 1555 N GLU A 104 8.626 8.202 2.356 1.00 0.00 N ATOM 1556 CA GLU A 104 9.004 8.622 3.705 1.00 0.00 C ATOM 1557 C GLU A 104 8.893 7.458 4.684 1.00 0.00 C ATOM 1558 O GLU A 104 9.739 7.290 5.562 1.00 0.00 O ATOM 1559 CB GLU A 104 8.142 9.791 4.188 1.00 0.00 C ATOM 1560 CG GLU A 104 8.344 11.071 3.394 1.00 0.00 C ATOM 1561 CD GLU A 104 9.736 11.647 3.558 1.00 0.00 C ATOM 1562 OE1 GLU A 104 10.669 11.146 2.894 1.00 0.00 O ATOM 1563 OE2 GLU A 104 9.896 12.601 4.349 1.00 0.00 O ATOM 0 H GLU A 104 7.780 8.642 1.994 1.00 0.00 H new ATOM 0 HA GLU A 104 10.041 8.955 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.092 9.503 4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.365 9.986 5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.160 10.872 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.609 11.811 3.712 1.00 0.00 H new ATOM 1570 N MET A 105 7.842 6.659 4.529 1.00 0.00 N ATOM 1571 CA MET A 105 7.618 5.510 5.398 1.00 0.00 C ATOM 1572 C MET A 105 8.783 4.528 5.310 1.00 0.00 C ATOM 1573 O MET A 105 9.407 4.197 6.317 1.00 0.00 O ATOM 1574 CB MET A 105 6.310 4.814 5.027 1.00 0.00 C ATOM 1575 CG MET A 105 5.637 4.126 6.202 1.00 0.00 C ATOM 1576 SD MET A 105 6.591 2.732 6.832 1.00 0.00 S ATOM 1577 CE MET A 105 6.571 1.642 5.412 1.00 0.00 C ATOM 0 H MET A 105 7.131 6.787 3.809 1.00 0.00 H new ATOM 0 HA MET A 105 7.549 5.866 6.426 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.624 5.548 4.604 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.508 4.077 4.249 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.486 4.849 7.003 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.650 3.777 5.897 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.580 0.605 5.749 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.671 1.825 4.826 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.450 1.831 4.796 1.00 0.00 H new ATOM 1587 N VAL A 106 9.070 4.065 4.097 1.00 0.00 N ATOM 1588 CA VAL A 106 10.163 3.129 3.869 1.00 0.00 C ATOM 1589 C VAL A 106 11.500 3.747 4.262 1.00 0.00 C ATOM 1590 O VAL A 106 12.389 3.065 4.773 1.00 0.00 O ATOM 1591 CB VAL A 106 10.222 2.705 2.387 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.318 3.926 1.488 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.389 1.756 2.134 1.00 0.00 C ATOM 0 H VAL A 106 8.558 4.325 3.254 1.00 0.00 H new ATOM 0 HA VAL A 106 9.976 2.252 4.489 1.00 0.00 H new ATOM 0 HB VAL A 106 9.301 2.173 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.359 3.608 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.444 4.560 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.220 4.487 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.406 1.473 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.324 2.253 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.271 0.863 2.748 1.00 0.00 H new ATOM 1603 N HIS A 107 11.630 5.046 4.017 1.00 0.00 N ATOM 1604 CA HIS A 107 12.857 5.771 4.336 1.00 0.00 C ATOM 1605 C HIS A 107 12.947 6.078 5.827 1.00 0.00 C ATOM 1606 O HIS A 107 14.040 6.236 6.371 1.00 0.00 O ATOM 1607 CB HIS A 107 12.920 7.074 3.538 1.00 0.00 C ATOM 1608 CG HIS A 107 14.125 7.907 3.849 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.283 7.863 3.102 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.346 8.813 4.830 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.165 8.704 3.612 1.00 0.00 C ATOM 1612 NE2 HIS A 107 15.621 9.293 4.661 1.00 0.00 N ATOM 0 H HIS A 107 10.899 5.621 3.597 1.00 0.00 H new ATOM 0 HA HIS A 107 13.701 5.136 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.915 6.840 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.022 7.658 3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.649 9.104 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.162 8.880 3.235 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.074 9.991 5.250 1.00 0.00 H new ATOM 1621 N SER A 108 11.796 6.161 6.483 1.00 0.00 N ATOM 1622 CA SER A 108 11.754 6.454 7.910 1.00 0.00 C ATOM 1623 C SER A 108 12.456 5.361 8.710 1.00 0.00 C ATOM 1624 O SER A 108 11.777 4.391 9.106 1.00 0.00 O ATOM 1625 CB SER A 108 10.308 6.599 8.381 1.00 0.00 C ATOM 1626 OG SER A 108 10.248 6.899 9.766 1.00 0.00 O ATOM 1627 OXT SER A 108 13.679 5.486 8.933 1.00 0.00 O ATOM 0 H SER A 108 10.881 6.030 6.051 1.00 0.00 H new ATOM 0 HA SER A 108 12.278 7.395 8.078 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.815 7.388 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.764 5.676 8.182 1.00 0.00 H new ATOM 0 HG SER A 108 9.312 6.988 10.041 1.00 0.00 H new