USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 648 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 77 LYS NZ :NH3+ -163:sc= 0.779 (180deg=-0.177!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0.519 USER MOD Set 2.1: A 56 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 57 MET CE :methyl 163:sc= -2.51 (180deg=-3.17!) USER MOD Set 3.1: A 48 ASN : amide:sc= 0.974 K(o=2,f=1.3) USER MOD Set 3.2: A 54 SER OG : rot 90:sc= 1.04 USER MOD Set 4.1: A 33 GLN : amide:sc= -0.719 K(o=0.31,f=-3.9) USER MOD Set 4.2: A 76 LYS NZ :NH3+ 144:sc= 1.03 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.142 USER MOD Single : A 24 GLN :FLIP amide:sc= -0.063 F(o=-0.72,f=-0.063) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= -0.159 (180deg=-0.673) USER MOD Single : A 30 GLN : amide:sc= 0.292 K(o=0.29,f=-10!) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 38 THR OG1 : rot -81:sc= 1.19 USER MOD Single : A 43 CYS SG : rot -132:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.558) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -168:sc= 0.66 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 60 THR OG1 : rot 68:sc= 0.964 USER MOD Single : A 64 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.47) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= 1.22 (180deg=1.03) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -103:sc= -1.21 (180deg=-4.98!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0.00023) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -173:sc= -3.04! (180deg=-3.31!) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -8:sc= 0.926 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 7.215 -13.210 -10.859 1.00 0.00 N ATOM 2 CA THR A 19 8.373 -12.315 -10.672 1.00 0.00 C ATOM 3 C THR A 19 8.089 -11.298 -9.569 1.00 0.00 C ATOM 4 O THR A 19 7.062 -10.617 -9.590 1.00 0.00 O ATOM 5 CB THR A 19 8.698 -11.573 -11.984 1.00 0.00 C ATOM 6 OG1 THR A 19 8.866 -12.523 -13.045 1.00 0.00 O ATOM 7 CG2 THR A 19 9.965 -10.743 -11.844 1.00 0.00 C ATOM 0 HA THR A 19 9.230 -12.924 -10.384 1.00 0.00 H new ATOM 0 HB THR A 19 7.869 -10.903 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.375 -13.344 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.170 -10.231 -12.784 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.832 -10.007 -11.051 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.802 -11.396 -11.596 1.00 0.00 H new ATOM 15 N ILE A 20 8.990 -11.207 -8.594 1.00 0.00 N ATOM 16 CA ILE A 20 8.843 -10.239 -7.518 1.00 0.00 C ATOM 17 C ILE A 20 9.309 -8.872 -8.006 1.00 0.00 C ATOM 18 O ILE A 20 10.186 -8.772 -8.870 1.00 0.00 O ATOM 19 CB ILE A 20 9.623 -10.671 -6.242 1.00 0.00 C ATOM 20 CG1 ILE A 20 9.022 -10.023 -4.978 1.00 0.00 C ATOM 21 CG2 ILE A 20 11.099 -10.321 -6.363 1.00 0.00 C ATOM 22 CD1 ILE A 20 9.547 -8.634 -4.657 1.00 0.00 C ATOM 0 H ILE A 20 9.825 -11.790 -8.529 1.00 0.00 H new ATOM 0 HA ILE A 20 7.790 -10.185 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 20 9.531 -11.753 -6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.940 -9.968 -5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.217 -10.675 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.622 -10.633 -5.459 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.525 -10.835 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.208 -9.244 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.065 -8.263 -3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.625 -8.679 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.328 -7.962 -5.486 1.00 0.00 H new ATOM 34 N ASP A 21 8.694 -7.830 -7.475 1.00 0.00 N ATOM 35 CA ASP A 21 8.967 -6.466 -7.904 1.00 0.00 C ATOM 36 C ASP A 21 10.370 -6.016 -7.510 1.00 0.00 C ATOM 37 O ASP A 21 11.102 -6.725 -6.819 1.00 0.00 O ATOM 38 CB ASP A 21 7.945 -5.521 -7.289 1.00 0.00 C ATOM 39 CG ASP A 21 7.515 -4.435 -8.254 1.00 0.00 C ATOM 40 OD1 ASP A 21 8.351 -3.583 -8.614 1.00 0.00 O ATOM 41 OD2 ASP A 21 6.342 -4.448 -8.676 1.00 0.00 O ATOM 0 H ASP A 21 7.994 -7.903 -6.737 1.00 0.00 H new ATOM 0 HA ASP A 21 8.898 -6.442 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.071 -6.090 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.368 -5.063 -6.395 1.00 0.00 H new ATOM 46 N VAL A 22 10.718 -4.808 -7.929 1.00 0.00 N ATOM 47 CA VAL A 22 12.017 -4.221 -7.624 1.00 0.00 C ATOM 48 C VAL A 22 12.008 -3.666 -6.198 1.00 0.00 C ATOM 49 O VAL A 22 13.007 -3.157 -5.693 1.00 0.00 O ATOM 50 CB VAL A 22 12.361 -3.101 -8.640 1.00 0.00 C ATOM 51 CG1 VAL A 22 11.363 -1.968 -8.559 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.782 -2.590 -8.449 1.00 0.00 C ATOM 0 H VAL A 22 10.111 -4.208 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 22 12.782 -4.994 -7.700 1.00 0.00 H new ATOM 0 HB VAL A 22 12.299 -3.535 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.629 -1.197 -9.282 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.365 -2.346 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.375 -1.544 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.988 -1.806 -9.178 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.891 -2.187 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.486 -3.410 -8.590 1.00 0.00 H new ATOM 62 N LEU A 23 10.860 -3.795 -5.549 1.00 0.00 N ATOM 63 CA LEU A 23 10.672 -3.294 -4.197 1.00 0.00 C ATOM 64 C LEU A 23 11.285 -4.258 -3.187 1.00 0.00 C ATOM 65 O LEU A 23 10.598 -5.115 -2.633 1.00 0.00 O ATOM 66 CB LEU A 23 9.178 -3.116 -3.913 1.00 0.00 C ATOM 67 CG LEU A 23 8.359 -2.536 -5.070 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.904 -2.380 -4.670 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.936 -1.206 -5.541 1.00 0.00 C ATOM 0 H LEU A 23 10.036 -4.248 -5.944 1.00 0.00 H new ATOM 0 HA LEU A 23 11.170 -2.329 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.758 -4.085 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.064 -2.465 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 23 8.413 -3.236 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.339 -1.967 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.494 -3.354 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.832 -1.708 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.334 -0.819 -6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.926 -0.493 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.961 -1.354 -5.881 1.00 0.00 H new ATOM 81 N GLN A 24 12.581 -4.124 -2.966 1.00 0.00 N ATOM 82 CA GLN A 24 13.297 -5.025 -2.082 1.00 0.00 C ATOM 83 C GLN A 24 13.331 -4.478 -0.661 1.00 0.00 C ATOM 84 O GLN A 24 13.976 -3.465 -0.387 1.00 0.00 O ATOM 85 CB GLN A 24 14.717 -5.252 -2.596 1.00 0.00 C ATOM 86 CG GLN A 24 14.772 -5.844 -3.995 1.00 0.00 C ATOM 87 CD GLN A 24 14.184 -7.238 -4.069 1.00 0.00 C ATOM 88 OE1 GLN A 24 12.899 -7.330 -4.375 1.00 0.00 O flip ATOM 89 NE2 GLN A 24 14.881 -8.228 -3.866 1.00 0.00 N flip ATOM 0 H GLN A 24 13.160 -3.398 -3.388 1.00 0.00 H new ATOM 0 HA GLN A 24 12.770 -5.979 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 24 15.252 -4.302 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.241 -5.916 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.233 -5.191 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.809 -5.874 -4.331 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.868 -8.118 -3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.473 -9.161 -3.931 1.00 0.00 H new ATOM 98 N PHE A 25 12.620 -5.151 0.232 1.00 0.00 N ATOM 99 CA PHE A 25 12.591 -4.775 1.640 1.00 0.00 C ATOM 100 C PHE A 25 13.949 -5.030 2.270 1.00 0.00 C ATOM 101 O PHE A 25 14.551 -6.090 2.092 1.00 0.00 O ATOM 102 CB PHE A 25 11.494 -5.559 2.378 1.00 0.00 C ATOM 103 CG PHE A 25 10.170 -5.518 1.670 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.420 -4.354 1.652 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.670 -6.645 1.040 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.193 -4.315 1.017 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.447 -6.611 0.401 1.00 0.00 C ATOM 108 CZ PHE A 25 7.737 -5.438 0.334 1.00 0.00 C ATOM 0 H PHE A 25 12.051 -5.967 0.005 1.00 0.00 H new ATOM 0 HA PHE A 25 12.363 -3.712 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.809 -6.597 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.376 -5.152 3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.798 -3.467 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.243 -7.560 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.592 -3.418 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.048 -7.509 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.828 -5.387 -0.247 1.00 0.00 H new ATOM 118 N LYS A 26 14.428 -4.015 2.969 1.00 0.00 N ATOM 119 CA LYS A 26 15.695 -4.043 3.678 1.00 0.00 C ATOM 120 C LYS A 26 15.773 -5.228 4.633 1.00 0.00 C ATOM 121 O LYS A 26 16.847 -5.761 4.909 1.00 0.00 O ATOM 122 CB LYS A 26 15.825 -2.718 4.439 1.00 0.00 C ATOM 123 CG LYS A 26 16.447 -2.826 5.817 1.00 0.00 C ATOM 124 CD LYS A 26 15.449 -2.418 6.892 1.00 0.00 C ATOM 125 CE LYS A 26 15.161 -0.923 6.861 1.00 0.00 C ATOM 126 NZ LYS A 26 16.408 -0.106 6.869 1.00 0.00 N ATOM 0 H LYS A 26 13.934 -3.127 3.061 1.00 0.00 H new ATOM 0 HA LYS A 26 16.516 -4.161 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.423 -2.030 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.834 -2.275 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.779 -3.849 5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.330 -2.190 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.519 -2.970 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.839 -2.692 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.580 -0.686 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.548 -0.655 7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.243 0.773 7.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.173 -0.645 7.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.678 0.125 5.892 1.00 0.00 H new ATOM 140 N ASP A 27 14.613 -5.631 5.109 1.00 0.00 N ATOM 141 CA ASP A 27 14.475 -6.680 6.097 1.00 0.00 C ATOM 142 C ASP A 27 12.988 -6.962 6.226 1.00 0.00 C ATOM 143 O ASP A 27 12.194 -6.206 5.653 1.00 0.00 O ATOM 144 CB ASP A 27 15.081 -6.210 7.428 1.00 0.00 C ATOM 145 CG ASP A 27 14.935 -7.213 8.545 1.00 0.00 C ATOM 146 OD1 ASP A 27 15.753 -8.145 8.607 1.00 0.00 O ATOM 147 OD2 ASP A 27 13.998 -7.079 9.356 1.00 0.00 O ATOM 0 H ASP A 27 13.723 -5.230 4.814 1.00 0.00 H new ATOM 0 HA ASP A 27 15.001 -7.589 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.139 -5.995 7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.604 -5.276 7.725 1.00 0.00 H new ATOM 152 N GLU A 28 12.577 -8.006 6.939 1.00 0.00 N ATOM 153 CA GLU A 28 11.148 -8.250 7.097 1.00 0.00 C ATOM 154 C GLU A 28 10.520 -7.069 7.830 1.00 0.00 C ATOM 155 O GLU A 28 9.328 -6.814 7.705 1.00 0.00 O ATOM 156 CB GLU A 28 10.844 -9.576 7.823 1.00 0.00 C ATOM 157 CG GLU A 28 10.860 -9.503 9.347 1.00 0.00 C ATOM 158 CD GLU A 28 12.215 -9.786 9.950 1.00 0.00 C ATOM 159 OE1 GLU A 28 13.064 -10.385 9.254 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.450 -9.399 11.110 1.00 0.00 O ATOM 0 H GLU A 28 13.190 -8.677 7.403 1.00 0.00 H new ATOM 0 HA GLU A 28 10.711 -8.346 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.864 -9.930 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.572 -10.321 7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.533 -8.511 9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.138 -10.216 9.744 1.00 0.00 H new ATOM 167 N ALA A 29 11.356 -6.329 8.561 1.00 0.00 N ATOM 168 CA ALA A 29 10.939 -5.110 9.240 1.00 0.00 C ATOM 169 C ALA A 29 10.377 -4.095 8.256 1.00 0.00 C ATOM 170 O ALA A 29 9.329 -3.498 8.503 1.00 0.00 O ATOM 171 CB ALA A 29 12.105 -4.494 9.990 1.00 0.00 C ATOM 0 H ALA A 29 12.340 -6.562 8.696 1.00 0.00 H new ATOM 0 HA ALA A 29 10.155 -5.380 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.775 -3.584 10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.476 -5.202 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.903 -4.252 9.287 1.00 0.00 H new ATOM 177 N GLN A 30 11.069 -3.902 7.130 1.00 0.00 N ATOM 178 CA GLN A 30 10.592 -2.968 6.121 1.00 0.00 C ATOM 179 C GLN A 30 9.265 -3.461 5.578 1.00 0.00 C ATOM 180 O GLN A 30 8.367 -2.677 5.260 1.00 0.00 O ATOM 181 CB GLN A 30 11.569 -2.796 4.949 1.00 0.00 C ATOM 182 CG GLN A 30 11.250 -1.540 4.168 1.00 0.00 C ATOM 183 CD GLN A 30 12.176 -1.270 3.006 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.344 -1.628 3.031 1.00 0.00 O ATOM 185 NE2 GLN A 30 11.653 -0.627 1.977 1.00 0.00 N ATOM 0 H GLN A 30 11.945 -4.373 6.901 1.00 0.00 H new ATOM 0 HA GLN A 30 10.491 -1.998 6.607 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.591 -2.747 5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.513 -3.663 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.229 -1.611 3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.282 -0.688 4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.673 -0.346 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.229 -0.412 1.163 1.00 0.00 H new ATOM 194 N GLU A 31 9.148 -4.774 5.489 1.00 0.00 N ATOM 195 CA GLU A 31 7.934 -5.398 5.000 1.00 0.00 C ATOM 196 C GLU A 31 6.814 -5.298 6.043 1.00 0.00 C ATOM 197 O GLU A 31 5.641 -5.305 5.698 1.00 0.00 O ATOM 198 CB GLU A 31 8.202 -6.854 4.621 1.00 0.00 C ATOM 199 CG GLU A 31 6.957 -7.595 4.159 1.00 0.00 C ATOM 200 CD GLU A 31 7.074 -9.096 4.267 1.00 0.00 C ATOM 201 OE1 GLU A 31 8.088 -9.646 3.784 1.00 0.00 O ATOM 202 OE2 GLU A 31 6.159 -9.739 4.823 1.00 0.00 O ATOM 0 H GLU A 31 9.884 -5.430 5.751 1.00 0.00 H new ATOM 0 HA GLU A 31 7.606 -4.867 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.949 -6.884 3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.628 -7.373 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.105 -7.262 4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.749 -7.328 3.123 1.00 0.00 H new ATOM 209 N GLN A 32 7.180 -5.188 7.318 1.00 0.00 N ATOM 210 CA GLN A 32 6.198 -4.981 8.380 1.00 0.00 C ATOM 211 C GLN A 32 5.536 -3.622 8.212 1.00 0.00 C ATOM 212 O GLN A 32 4.340 -3.462 8.451 1.00 0.00 O ATOM 213 CB GLN A 32 6.853 -5.069 9.757 1.00 0.00 C ATOM 214 CG GLN A 32 7.510 -6.407 10.042 1.00 0.00 C ATOM 215 CD GLN A 32 7.860 -6.597 11.504 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.122 -5.504 12.201 1.00 0.00 O flip ATOM 217 NE2 GLN A 32 7.888 -7.720 12.003 1.00 0.00 N flip ATOM 0 H GLN A 32 8.146 -5.239 7.640 1.00 0.00 H new ATOM 0 HA GLN A 32 5.445 -5.766 8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.602 -4.282 9.843 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.099 -4.876 10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.841 -7.208 9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.416 -6.495 9.443 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.679 -8.538 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.120 -7.834 12.990 1.00 0.00 H new ATOM 226 N GLN A 33 6.329 -2.639 7.806 1.00 0.00 N ATOM 227 CA GLN A 33 5.793 -1.338 7.432 1.00 0.00 C ATOM 228 C GLN A 33 4.865 -1.496 6.237 1.00 0.00 C ATOM 229 O GLN A 33 3.737 -1.002 6.237 1.00 0.00 O ATOM 230 CB GLN A 33 6.925 -0.369 7.087 1.00 0.00 C ATOM 231 CG GLN A 33 6.446 0.902 6.410 1.00 0.00 C ATOM 232 CD GLN A 33 7.573 1.867 6.099 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.371 3.076 6.070 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.767 1.341 5.871 1.00 0.00 N ATOM 0 H GLN A 33 7.343 -2.718 7.728 1.00 0.00 H new ATOM 0 HA GLN A 33 5.236 -0.931 8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.459 -0.106 8.000 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.638 -0.873 6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.931 0.643 5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.718 1.397 7.052 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.894 0.329 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.560 1.948 5.662 1.00 0.00 H new ATOM 243 N PHE A 34 5.351 -2.221 5.238 1.00 0.00 N ATOM 244 CA PHE A 34 4.591 -2.498 4.028 1.00 0.00 C ATOM 245 C PHE A 34 3.288 -3.211 4.374 1.00 0.00 C ATOM 246 O PHE A 34 2.258 -2.980 3.744 1.00 0.00 O ATOM 247 CB PHE A 34 5.444 -3.357 3.085 1.00 0.00 C ATOM 248 CG PHE A 34 4.783 -3.717 1.785 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.775 -2.824 0.727 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.187 -4.956 1.618 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.183 -3.160 -0.474 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.591 -5.297 0.420 1.00 0.00 C ATOM 253 CZ PHE A 34 3.589 -4.398 -0.627 1.00 0.00 C ATOM 0 H PHE A 34 6.284 -2.633 5.245 1.00 0.00 H new ATOM 0 HA PHE A 34 4.341 -1.561 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.370 -2.824 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.718 -4.276 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.237 -1.855 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.188 -5.663 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.184 -2.456 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.127 -6.265 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.124 -4.662 -1.565 1.00 0.00 H new ATOM 263 N ARG A 35 3.349 -4.063 5.390 1.00 0.00 N ATOM 264 CA ARG A 35 2.195 -4.822 5.856 1.00 0.00 C ATOM 265 C ARG A 35 1.033 -3.892 6.199 1.00 0.00 C ATOM 266 O ARG A 35 -0.069 -4.039 5.678 1.00 0.00 O ATOM 267 CB ARG A 35 2.595 -5.618 7.106 1.00 0.00 C ATOM 268 CG ARG A 35 2.513 -7.132 6.982 1.00 0.00 C ATOM 269 CD ARG A 35 3.240 -7.644 5.756 1.00 0.00 C ATOM 270 NE ARG A 35 2.379 -7.633 4.579 1.00 0.00 N ATOM 271 CZ ARG A 35 2.648 -8.258 3.439 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.776 -8.951 3.292 1.00 0.00 N ATOM 273 NH2 ARG A 35 1.773 -8.190 2.446 1.00 0.00 N ATOM 0 H ARG A 35 4.203 -4.248 5.916 1.00 0.00 H new ATOM 0 HA ARG A 35 1.873 -5.496 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.617 -5.349 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.957 -5.305 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.939 -7.592 7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.467 -7.435 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.120 -7.028 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.594 -8.658 5.939 1.00 0.00 H new ATOM 0 HE ARG A 35 1.507 -7.107 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.445 -9.006 4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.971 -9.427 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.908 -7.663 2.564 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.965 -8.665 1.564 1.00 0.00 H new ATOM 287 N GLN A 36 1.300 -2.906 7.039 1.00 0.00 N ATOM 288 CA GLN A 36 0.264 -1.977 7.467 1.00 0.00 C ATOM 289 C GLN A 36 -0.092 -0.999 6.360 1.00 0.00 C ATOM 290 O GLN A 36 -1.258 -0.645 6.186 1.00 0.00 O ATOM 291 CB GLN A 36 0.697 -1.233 8.728 1.00 0.00 C ATOM 292 CG GLN A 36 1.018 -2.173 9.877 1.00 0.00 C ATOM 293 CD GLN A 36 1.263 -1.461 11.190 1.00 0.00 C ATOM 294 OE1 GLN A 36 0.984 -2.006 12.258 1.00 0.00 O ATOM 295 NE2 GLN A 36 1.779 -0.243 11.129 1.00 0.00 N ATOM 0 H GLN A 36 2.222 -2.727 7.438 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.630 -2.556 7.698 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.574 -0.625 8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.095 -0.549 9.033 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.194 -2.875 10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.900 -2.759 9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.997 0.174 10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.959 0.278 11.987 1.00 0.00 H new ATOM 304 N LEU A 37 0.910 -0.592 5.589 1.00 0.00 N ATOM 305 CA LEU A 37 0.710 0.406 4.548 1.00 0.00 C ATOM 306 C LEU A 37 -0.171 -0.136 3.423 1.00 0.00 C ATOM 307 O LEU A 37 -0.809 0.629 2.705 1.00 0.00 O ATOM 308 CB LEU A 37 2.053 0.898 3.995 1.00 0.00 C ATOM 309 CG LEU A 37 2.956 1.621 4.997 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.161 2.219 4.294 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.191 2.695 5.754 1.00 0.00 C ATOM 0 H LEU A 37 1.867 -0.938 5.666 1.00 0.00 H new ATOM 0 HA LEU A 37 0.195 1.255 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.597 0.042 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.857 1.570 3.159 1.00 0.00 H new ATOM 0 HG LEU A 37 3.306 0.886 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.791 2.729 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.732 1.425 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.826 2.933 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.860 3.190 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.799 3.428 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.365 2.238 6.299 1.00 0.00 H new ATOM 323 N THR A 38 -0.211 -1.457 3.273 1.00 0.00 N ATOM 324 CA THR A 38 -1.058 -2.070 2.259 1.00 0.00 C ATOM 325 C THR A 38 -2.384 -2.564 2.839 1.00 0.00 C ATOM 326 O THR A 38 -3.303 -2.898 2.091 1.00 0.00 O ATOM 327 CB THR A 38 -0.356 -3.242 1.546 1.00 0.00 C ATOM 328 OG1 THR A 38 0.288 -4.097 2.497 1.00 0.00 O ATOM 329 CG2 THR A 38 0.651 -2.742 0.519 1.00 0.00 C ATOM 0 H THR A 38 0.328 -2.116 3.835 1.00 0.00 H new ATOM 0 HA THR A 38 -1.260 -1.284 1.532 1.00 0.00 H new ATOM 0 HB THR A 38 -1.119 -3.815 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.152 -3.711 2.752 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.129 -3.593 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.138 -2.138 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.408 -2.136 1.017 1.00 0.00 H new ATOM 337 N GLU A 39 -2.487 -2.619 4.166 1.00 0.00 N ATOM 338 CA GLU A 39 -3.709 -3.104 4.809 1.00 0.00 C ATOM 339 C GLU A 39 -4.621 -1.960 5.240 1.00 0.00 C ATOM 340 O GLU A 39 -5.844 -2.082 5.166 1.00 0.00 O ATOM 341 CB GLU A 39 -3.378 -4.000 6.002 1.00 0.00 C ATOM 342 CG GLU A 39 -2.965 -5.405 5.598 1.00 0.00 C ATOM 343 CD GLU A 39 -2.655 -6.289 6.785 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.541 -6.472 7.644 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.523 -6.808 6.868 1.00 0.00 O ATOM 0 H GLU A 39 -1.749 -2.338 4.811 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.248 -3.693 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.574 -3.544 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.247 -4.058 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.764 -5.859 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.088 -5.350 4.953 1.00 0.00 H new ATOM 352 N GLU A 40 -4.039 -0.851 5.685 1.00 0.00 N ATOM 353 CA GLU A 40 -4.837 0.301 6.097 1.00 0.00 C ATOM 354 C GLU A 40 -5.346 1.070 4.887 1.00 0.00 C ATOM 355 O GLU A 40 -6.145 2.000 5.010 1.00 0.00 O ATOM 356 CB GLU A 40 -4.046 1.228 7.014 1.00 0.00 C ATOM 357 CG GLU A 40 -3.843 0.659 8.405 1.00 0.00 C ATOM 358 CD GLU A 40 -3.780 1.736 9.462 1.00 0.00 C ATOM 359 OE1 GLU A 40 -4.851 2.192 9.908 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.664 2.144 9.851 1.00 0.00 O ATOM 0 H GLU A 40 -3.030 -0.725 5.770 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.693 -0.079 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.073 1.430 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.566 2.183 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.658 -0.027 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.921 0.078 8.426 1.00 0.00 H new ATOM 367 N LEU A 41 -4.875 0.680 3.716 1.00 0.00 N ATOM 368 CA LEU A 41 -5.335 1.274 2.482 1.00 0.00 C ATOM 369 C LEU A 41 -6.409 0.405 1.845 1.00 0.00 C ATOM 370 O LEU A 41 -6.148 -0.721 1.432 1.00 0.00 O ATOM 371 CB LEU A 41 -4.165 1.484 1.518 1.00 0.00 C ATOM 372 CG LEU A 41 -4.562 1.931 0.116 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.546 3.083 0.191 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.328 2.322 -0.676 1.00 0.00 C ATOM 0 H LEU A 41 -4.171 -0.049 3.598 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.769 2.248 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.491 2.228 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.604 0.552 1.442 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.049 1.102 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.821 3.393 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.439 2.765 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.086 3.921 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.623 2.640 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.816 3.141 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.657 1.466 -0.750 1.00 0.00 H new ATOM 386 N ARG A 42 -7.616 0.939 1.767 1.00 0.00 N ATOM 387 CA ARG A 42 -8.726 0.214 1.183 1.00 0.00 C ATOM 388 C ARG A 42 -8.795 0.408 -0.319 1.00 0.00 C ATOM 389 O ARG A 42 -8.594 1.511 -0.829 1.00 0.00 O ATOM 390 CB ARG A 42 -10.067 0.660 1.774 1.00 0.00 C ATOM 391 CG ARG A 42 -10.552 -0.151 2.962 1.00 0.00 C ATOM 392 CD ARG A 42 -12.044 0.067 3.179 1.00 0.00 C ATOM 393 NE ARG A 42 -12.552 -0.643 4.350 1.00 0.00 N ATOM 394 CZ ARG A 42 -13.825 -1.002 4.522 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.721 -0.778 3.566 1.00 0.00 N ATOM 396 NH2 ARG A 42 -14.198 -1.591 5.652 1.00 0.00 N ATOM 0 H ARG A 42 -7.850 1.874 2.102 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.549 -0.837 1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.983 1.704 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.824 0.615 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.353 -1.209 2.794 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.002 0.138 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.239 1.133 3.293 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.588 -0.264 2.294 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.888 -0.881 5.087 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.436 -0.329 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.693 -1.055 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.512 -1.768 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.171 -1.867 5.786 1.00 0.00 H new ATOM 410 N CYS A 43 -9.072 -0.677 -1.015 1.00 0.00 N ATOM 411 CA CYS A 43 -9.501 -0.610 -2.393 1.00 0.00 C ATOM 412 C CYS A 43 -11.020 -0.705 -2.398 1.00 0.00 C ATOM 413 O CYS A 43 -11.596 -1.314 -1.491 1.00 0.00 O ATOM 414 CB CYS A 43 -8.883 -1.752 -3.203 1.00 0.00 C ATOM 415 SG CYS A 43 -9.231 -3.398 -2.539 1.00 0.00 S ATOM 0 H CYS A 43 -9.006 -1.624 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.176 0.323 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.253 -1.699 -4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.803 -1.610 -3.246 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.128 -4.084 -2.479 1.00 0.00 H new ATOM 421 N PRO A 44 -11.696 -0.097 -3.383 1.00 0.00 N ATOM 422 CA PRO A 44 -13.164 -0.087 -3.458 1.00 0.00 C ATOM 423 C PRO A 44 -13.755 -1.460 -3.801 1.00 0.00 C ATOM 424 O PRO A 44 -14.743 -1.564 -4.530 1.00 0.00 O ATOM 425 CB PRO A 44 -13.463 0.927 -4.576 1.00 0.00 C ATOM 426 CG PRO A 44 -12.176 1.650 -4.806 1.00 0.00 C ATOM 427 CD PRO A 44 -11.099 0.660 -4.489 1.00 0.00 C ATOM 0 HA PRO A 44 -13.611 0.172 -2.498 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.800 0.425 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.254 1.616 -4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.099 1.997 -5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.101 2.530 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.867 0.022 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.170 1.148 -4.195 1.00 0.00 H new ATOM 435 N LYS A 45 -13.148 -2.509 -3.266 1.00 0.00 N ATOM 436 CA LYS A 45 -13.635 -3.863 -3.460 1.00 0.00 C ATOM 437 C LYS A 45 -14.277 -4.386 -2.181 1.00 0.00 C ATOM 438 O LYS A 45 -15.378 -4.936 -2.213 1.00 0.00 O ATOM 439 CB LYS A 45 -12.500 -4.797 -3.880 1.00 0.00 C ATOM 440 CG LYS A 45 -12.941 -6.245 -4.033 1.00 0.00 C ATOM 441 CD LYS A 45 -13.765 -6.460 -5.290 1.00 0.00 C ATOM 442 CE LYS A 45 -14.339 -7.869 -5.344 1.00 0.00 C ATOM 443 NZ LYS A 45 -13.285 -8.914 -5.234 1.00 0.00 N ATOM 0 H LYS A 45 -12.309 -2.445 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.381 -3.838 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.083 -4.449 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.701 -4.743 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.063 -6.890 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.526 -6.540 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.577 -5.733 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.144 -6.285 -6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.059 -7.996 -4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.883 -8.002 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.637 -9.806 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.438 -8.609 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.042 -9.058 -4.233 1.00 0.00 H new ATOM 457 N CYS A 46 -13.572 -4.207 -1.055 1.00 0.00 N ATOM 458 CA CYS A 46 -13.998 -4.725 0.255 1.00 0.00 C ATOM 459 C CYS A 46 -13.877 -6.247 0.308 1.00 0.00 C ATOM 460 O CYS A 46 -13.390 -6.809 1.285 1.00 0.00 O ATOM 461 CB CYS A 46 -15.426 -4.278 0.587 1.00 0.00 C ATOM 462 SG CYS A 46 -15.647 -2.482 0.572 1.00 0.00 S ATOM 0 H CYS A 46 -12.688 -3.698 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.332 -4.308 1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.114 -4.726 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -15.698 -4.661 1.571 1.00 0.00 H new ATOM 0 HG CYS A 46 -16.882 -2.194 0.860 1.00 0.00 H new ATOM 468 N GLN A 47 -14.304 -6.905 -0.752 1.00 0.00 N ATOM 469 CA GLN A 47 -14.177 -8.344 -0.881 1.00 0.00 C ATOM 470 C GLN A 47 -12.786 -8.693 -1.397 1.00 0.00 C ATOM 471 O GLN A 47 -12.631 -9.281 -2.468 1.00 0.00 O ATOM 472 CB GLN A 47 -15.254 -8.857 -1.828 1.00 0.00 C ATOM 473 CG GLN A 47 -16.657 -8.470 -1.393 1.00 0.00 C ATOM 474 CD GLN A 47 -17.070 -9.136 -0.093 1.00 0.00 C ATOM 475 OE1 GLN A 47 -17.603 -10.244 -0.095 1.00 0.00 O ATOM 476 NE2 GLN A 47 -16.839 -8.459 1.022 1.00 0.00 N ATOM 0 H GLN A 47 -14.751 -6.455 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 47 -14.309 -8.820 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.068 -8.465 -2.828 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -15.186 -9.943 -1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.711 -7.388 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -17.364 -8.742 -2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.394 -7.542 0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.106 -8.855 1.923 1.00 0.00 H new ATOM 485 N ASN A 48 -11.788 -8.283 -0.625 1.00 0.00 N ATOM 486 CA ASN A 48 -10.381 -8.450 -0.969 1.00 0.00 C ATOM 487 C ASN A 48 -9.545 -7.814 0.135 1.00 0.00 C ATOM 488 O ASN A 48 -9.963 -6.817 0.729 1.00 0.00 O ATOM 489 CB ASN A 48 -10.066 -7.791 -2.323 1.00 0.00 C ATOM 490 CG ASN A 48 -8.622 -7.970 -2.755 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.265 -8.965 -3.381 1.00 0.00 O ATOM 492 ND2 ASN A 48 -7.785 -6.995 -2.442 1.00 0.00 N ATOM 0 H ASN A 48 -11.935 -7.818 0.271 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.147 -9.511 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.721 -8.212 -3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.291 -6.726 -2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.806 -7.054 -2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.119 -6.184 -1.921 1.00 0.00 H new ATOM 499 N ASN A 49 -8.384 -8.388 0.421 1.00 0.00 N ATOM 500 CA ASN A 49 -7.532 -7.893 1.502 1.00 0.00 C ATOM 501 C ASN A 49 -6.785 -6.628 1.092 1.00 0.00 C ATOM 502 O ASN A 49 -5.564 -6.649 0.902 1.00 0.00 O ATOM 503 CB ASN A 49 -6.538 -8.968 1.948 1.00 0.00 C ATOM 504 CG ASN A 49 -7.185 -10.051 2.786 1.00 0.00 C ATOM 505 OD1 ASN A 49 -7.673 -11.051 2.264 1.00 0.00 O ATOM 506 ND2 ASN A 49 -7.193 -9.857 4.095 1.00 0.00 N ATOM 0 H ASN A 49 -8.008 -9.195 -0.077 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.183 -7.646 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.079 -9.420 1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.737 -8.501 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.615 -10.552 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.777 -9.013 4.488 1.00 0.00 H new ATOM 513 N SER A 50 -7.539 -5.537 0.962 1.00 0.00 N ATOM 514 CA SER A 50 -6.995 -4.228 0.624 1.00 0.00 C ATOM 515 C SER A 50 -6.131 -4.293 -0.642 1.00 0.00 C ATOM 516 O SER A 50 -6.651 -4.525 -1.733 1.00 0.00 O ATOM 517 CB SER A 50 -6.213 -3.671 1.816 1.00 0.00 C ATOM 518 OG SER A 50 -7.030 -3.625 2.977 1.00 0.00 O ATOM 0 H SER A 50 -8.551 -5.540 1.090 1.00 0.00 H new ATOM 0 HA SER A 50 -7.820 -3.549 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.338 -4.293 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.848 -2.671 1.582 1.00 0.00 H new ATOM 0 HG SER A 50 -6.582 -3.099 3.672 1.00 0.00 H new ATOM 524 N ILE A 51 -4.827 -4.094 -0.502 1.00 0.00 N ATOM 525 CA ILE A 51 -3.911 -4.262 -1.627 1.00 0.00 C ATOM 526 C ILE A 51 -2.749 -5.162 -1.230 1.00 0.00 C ATOM 527 O ILE A 51 -1.787 -5.327 -1.981 1.00 0.00 O ATOM 528 CB ILE A 51 -3.352 -2.915 -2.141 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.615 -2.176 -1.022 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.466 -2.053 -2.716 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.956 -0.891 -1.474 1.00 0.00 C ATOM 0 H ILE A 51 -4.380 -3.818 0.372 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.485 -4.718 -2.433 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.639 -3.123 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.320 -1.951 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.856 -2.835 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.050 -1.110 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.940 -2.577 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.208 -1.853 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.453 -0.423 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.226 -1.111 -2.253 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.713 -0.213 -1.867 1.00 0.00 H new ATOM 543 N ALA A 52 -2.850 -5.749 -0.045 1.00 0.00 N ATOM 544 CA ALA A 52 -1.800 -6.613 0.471 1.00 0.00 C ATOM 545 C ALA A 52 -1.898 -7.994 -0.155 1.00 0.00 C ATOM 546 O ALA A 52 -1.065 -8.373 -0.982 1.00 0.00 O ATOM 547 CB ALA A 52 -1.889 -6.706 1.984 1.00 0.00 C ATOM 0 H ALA A 52 -3.651 -5.641 0.577 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.833 -6.183 0.208 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.097 -7.356 2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.776 -5.712 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.858 -7.117 2.267 1.00 0.00 H new ATOM 553 N ASP A 53 -2.928 -8.736 0.229 1.00 0.00 N ATOM 554 CA ASP A 53 -3.205 -10.030 -0.379 1.00 0.00 C ATOM 555 C ASP A 53 -3.935 -9.823 -1.692 1.00 0.00 C ATOM 556 O ASP A 53 -5.132 -10.082 -1.801 1.00 0.00 O ATOM 557 CB ASP A 53 -4.045 -10.915 0.546 1.00 0.00 C ATOM 558 CG ASP A 53 -3.267 -11.436 1.734 1.00 0.00 C ATOM 559 OD1 ASP A 53 -3.205 -10.734 2.764 1.00 0.00 O ATOM 560 OD2 ASP A 53 -2.725 -12.557 1.645 1.00 0.00 O ATOM 0 H ASP A 53 -3.586 -8.464 0.959 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.255 -10.535 -0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.904 -10.346 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.436 -11.758 -0.024 1.00 0.00 H new ATOM 565 N SER A 54 -3.218 -9.312 -2.674 1.00 0.00 N ATOM 566 CA SER A 54 -3.793 -9.041 -3.973 1.00 0.00 C ATOM 567 C SER A 54 -2.776 -9.320 -5.065 1.00 0.00 C ATOM 568 O SER A 54 -1.594 -9.000 -4.922 1.00 0.00 O ATOM 569 CB SER A 54 -4.272 -7.590 -4.048 1.00 0.00 C ATOM 570 OG SER A 54 -5.091 -7.282 -2.935 1.00 0.00 O ATOM 0 H SER A 54 -2.229 -9.075 -2.593 1.00 0.00 H new ATOM 0 HA SER A 54 -4.651 -9.697 -4.121 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.414 -6.918 -4.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.828 -7.431 -4.972 1.00 0.00 H new ATOM 0 HG SER A 54 -4.535 -6.941 -2.204 1.00 0.00 H new ATOM 576 N ASN A 55 -3.244 -9.918 -6.146 1.00 0.00 N ATOM 577 CA ASN A 55 -2.388 -10.264 -7.274 1.00 0.00 C ATOM 578 C ASN A 55 -2.605 -9.270 -8.403 1.00 0.00 C ATOM 579 O ASN A 55 -2.072 -9.427 -9.502 1.00 0.00 O ATOM 580 CB ASN A 55 -2.701 -11.684 -7.754 1.00 0.00 C ATOM 581 CG ASN A 55 -2.412 -12.733 -6.695 1.00 0.00 C ATOM 582 OD1 ASN A 55 -1.444 -12.626 -5.942 1.00 0.00 O ATOM 583 ND2 ASN A 55 -3.263 -13.748 -6.614 1.00 0.00 N ATOM 0 H ASN A 55 -4.223 -10.178 -6.270 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.345 -10.224 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.750 -11.743 -8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.112 -11.901 -8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.126 -14.473 -5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.054 -13.803 -7.256 1.00 0.00 H new ATOM 590 N SER A 56 -3.397 -8.248 -8.111 1.00 0.00 N ATOM 591 CA SER A 56 -3.736 -7.223 -9.081 1.00 0.00 C ATOM 592 C SER A 56 -2.520 -6.371 -9.432 1.00 0.00 C ATOM 593 O SER A 56 -1.786 -5.910 -8.555 1.00 0.00 O ATOM 594 CB SER A 56 -4.854 -6.337 -8.532 1.00 0.00 C ATOM 595 OG SER A 56 -5.169 -5.288 -9.432 1.00 0.00 O ATOM 0 H SER A 56 -3.821 -8.108 -7.194 1.00 0.00 H new ATOM 0 HA SER A 56 -4.077 -7.716 -9.991 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.743 -6.941 -8.349 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.551 -5.917 -7.573 1.00 0.00 H new ATOM 0 HG SER A 56 -5.987 -4.837 -9.136 1.00 0.00 H new ATOM 601 N MET A 57 -2.324 -6.181 -10.734 1.00 0.00 N ATOM 602 CA MET A 57 -1.263 -5.327 -11.261 1.00 0.00 C ATOM 603 C MET A 57 -1.407 -3.919 -10.711 1.00 0.00 C ATOM 604 O MET A 57 -0.422 -3.230 -10.446 1.00 0.00 O ATOM 605 CB MET A 57 -1.336 -5.256 -12.790 1.00 0.00 C ATOM 606 CG MET A 57 -1.881 -6.507 -13.449 1.00 0.00 C ATOM 607 SD MET A 57 -3.413 -6.202 -14.352 1.00 0.00 S ATOM 608 CE MET A 57 -4.556 -5.869 -13.011 1.00 0.00 C ATOM 0 H MET A 57 -2.898 -6.616 -11.456 1.00 0.00 H new ATOM 0 HA MET A 57 -0.307 -5.755 -10.959 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.961 -4.409 -13.073 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.338 -5.060 -13.181 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.134 -6.908 -14.133 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.057 -7.267 -12.688 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.445 -5.377 -13.405 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.841 -6.807 -12.535 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.077 -5.221 -12.277 1.00 0.00 H new ATOM 618 N ILE A 58 -2.651 -3.506 -10.535 1.00 0.00 N ATOM 619 CA ILE A 58 -2.956 -2.160 -10.094 1.00 0.00 C ATOM 620 C ILE A 58 -2.723 -2.046 -8.587 1.00 0.00 C ATOM 621 O ILE A 58 -2.368 -0.981 -8.084 1.00 0.00 O ATOM 622 CB ILE A 58 -4.402 -1.751 -10.507 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.404 -1.883 -9.360 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.858 -2.586 -11.696 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.452 -0.659 -8.473 1.00 0.00 C ATOM 0 H ILE A 58 -3.471 -4.091 -10.693 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.285 -1.457 -10.588 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.370 -0.697 -10.783 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.397 -2.066 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.144 -2.752 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.869 -2.294 -11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.184 -2.420 -12.537 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.847 -3.642 -11.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.181 -0.814 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.469 -0.488 -8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.741 0.209 -9.066 1.00 0.00 H new ATOM 637 N ALA A 59 -2.905 -3.154 -7.869 1.00 0.00 N ATOM 638 CA ALA A 59 -2.557 -3.195 -6.457 1.00 0.00 C ATOM 639 C ALA A 59 -1.061 -2.965 -6.312 1.00 0.00 C ATOM 640 O ALA A 59 -0.612 -2.224 -5.439 1.00 0.00 O ATOM 641 CB ALA A 59 -2.957 -4.527 -5.830 1.00 0.00 C ATOM 0 H ALA A 59 -3.287 -4.024 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.102 -2.411 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.685 -4.529 -4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.034 -4.666 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.439 -5.339 -6.340 1.00 0.00 H new ATOM 647 N THR A 60 -0.301 -3.590 -7.203 1.00 0.00 N ATOM 648 CA THR A 60 1.137 -3.394 -7.272 1.00 0.00 C ATOM 649 C THR A 60 1.474 -1.936 -7.584 1.00 0.00 C ATOM 650 O THR A 60 2.387 -1.368 -6.992 1.00 0.00 O ATOM 651 CB THR A 60 1.756 -4.301 -8.345 1.00 0.00 C ATOM 652 OG1 THR A 60 1.517 -5.675 -8.017 1.00 0.00 O ATOM 653 CG2 THR A 60 3.245 -4.049 -8.465 1.00 0.00 C ATOM 0 H THR A 60 -0.665 -4.245 -7.895 1.00 0.00 H new ATOM 0 HA THR A 60 1.553 -3.654 -6.299 1.00 0.00 H new ATOM 0 HB THR A 60 1.290 -4.073 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.560 -5.870 -8.103 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.664 -4.702 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.417 -3.009 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.727 -4.255 -7.509 1.00 0.00 H new ATOM 661 N ASP A 61 0.707 -1.345 -8.495 1.00 0.00 N ATOM 662 CA ASP A 61 0.877 0.058 -8.887 1.00 0.00 C ATOM 663 C ASP A 61 0.931 0.947 -7.650 1.00 0.00 C ATOM 664 O ASP A 61 1.850 1.747 -7.469 1.00 0.00 O ATOM 665 CB ASP A 61 -0.317 0.491 -9.748 1.00 0.00 C ATOM 666 CG ASP A 61 -0.042 1.727 -10.578 1.00 0.00 C ATOM 667 OD1 ASP A 61 -0.101 2.843 -10.019 1.00 0.00 O ATOM 668 OD2 ASP A 61 0.263 1.594 -11.781 1.00 0.00 O ATOM 0 H ASP A 61 -0.051 -1.821 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 61 1.807 0.157 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.594 -0.329 -10.411 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.173 0.680 -9.100 1.00 0.00 H new ATOM 673 N LEU A 62 -0.057 0.757 -6.790 1.00 0.00 N ATOM 674 CA LEU A 62 -0.176 1.511 -5.552 1.00 0.00 C ATOM 675 C LEU A 62 0.911 1.116 -4.558 1.00 0.00 C ATOM 676 O LEU A 62 1.447 1.959 -3.841 1.00 0.00 O ATOM 677 CB LEU A 62 -1.558 1.260 -4.943 1.00 0.00 C ATOM 678 CG LEU A 62 -2.732 1.455 -5.899 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.038 1.154 -5.190 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.737 2.869 -6.459 1.00 0.00 C ATOM 0 H LEU A 62 -0.801 0.074 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.054 2.571 -5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.589 0.241 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.689 1.927 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.622 0.762 -6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.869 1.296 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.032 0.122 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.154 1.827 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.581 2.988 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.825 3.584 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.808 3.049 -7.000 1.00 0.00 H new ATOM 692 N ARG A 63 1.233 -0.169 -4.518 1.00 0.00 N ATOM 693 CA ARG A 63 2.219 -0.680 -3.574 1.00 0.00 C ATOM 694 C ARG A 63 3.617 -0.169 -3.896 1.00 0.00 C ATOM 695 O ARG A 63 4.451 -0.028 -3.003 1.00 0.00 O ATOM 696 CB ARG A 63 2.197 -2.208 -3.541 1.00 0.00 C ATOM 697 CG ARG A 63 0.939 -2.764 -2.901 1.00 0.00 C ATOM 698 CD ARG A 63 0.971 -4.277 -2.800 1.00 0.00 C ATOM 699 NE ARG A 63 0.971 -4.923 -4.118 1.00 0.00 N ATOM 700 CZ ARG A 63 0.678 -6.209 -4.325 1.00 0.00 C ATOM 701 NH1 ARG A 63 0.250 -6.971 -3.327 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.773 -6.724 -5.546 1.00 0.00 N ATOM 0 H ARG A 63 0.826 -0.878 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 63 1.951 -0.310 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.281 -2.590 -4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.068 -2.568 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.820 -2.337 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.070 -2.458 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.859 -4.583 -2.248 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.107 -4.619 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 63 1.210 -4.352 -4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.143 -6.575 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.028 -7.953 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.070 -6.137 -6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.549 -7.707 -5.704 1.00 0.00 H new ATOM 716 N GLN A 64 3.873 0.105 -5.168 1.00 0.00 N ATOM 717 CA GLN A 64 5.119 0.736 -5.565 1.00 0.00 C ATOM 718 C GLN A 64 5.205 2.140 -4.979 1.00 0.00 C ATOM 719 O GLN A 64 6.273 2.577 -4.555 1.00 0.00 O ATOM 720 CB GLN A 64 5.241 0.760 -7.087 1.00 0.00 C ATOM 721 CG GLN A 64 5.302 -0.635 -7.693 1.00 0.00 C ATOM 722 CD GLN A 64 5.467 -0.625 -9.200 1.00 0.00 C ATOM 723 OE1 GLN A 64 5.003 0.287 -9.881 1.00 0.00 O ATOM 724 NE2 GLN A 64 6.123 -1.643 -9.736 1.00 0.00 N ATOM 0 H GLN A 64 3.236 -0.100 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 64 5.954 0.155 -5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.391 1.297 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.138 1.313 -7.367 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.133 -1.182 -7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.391 -1.175 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.494 -2.382 -9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.257 -1.688 -10.746 1.00 0.00 H new ATOM 733 N LYS A 65 4.068 2.828 -4.915 1.00 0.00 N ATOM 734 CA LYS A 65 4.006 4.129 -4.260 1.00 0.00 C ATOM 735 C LYS A 65 4.274 3.969 -2.767 1.00 0.00 C ATOM 736 O LYS A 65 5.007 4.761 -2.172 1.00 0.00 O ATOM 737 CB LYS A 65 2.648 4.793 -4.473 1.00 0.00 C ATOM 738 CG LYS A 65 2.508 6.136 -3.763 1.00 0.00 C ATOM 739 CD LYS A 65 3.205 7.268 -4.504 1.00 0.00 C ATOM 740 CE LYS A 65 4.638 7.387 -4.042 1.00 0.00 C ATOM 741 NZ LYS A 65 5.400 8.456 -4.740 1.00 0.00 N ATOM 0 H LYS A 65 3.182 2.508 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 65 4.769 4.768 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.487 4.937 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.865 4.122 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.450 6.376 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.922 6.056 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.175 7.083 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.679 8.206 -4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.651 7.584 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.142 6.433 -4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.084 8.881 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.907 8.048 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.742 9.188 -5.076 1.00 0.00 H new ATOM 755 N VAL A 66 3.671 2.939 -2.175 1.00 0.00 N ATOM 756 CA VAL A 66 3.907 2.601 -0.774 1.00 0.00 C ATOM 757 C VAL A 66 5.403 2.425 -0.504 1.00 0.00 C ATOM 758 O VAL A 66 5.912 2.880 0.520 1.00 0.00 O ATOM 759 CB VAL A 66 3.124 1.328 -0.354 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.546 0.871 1.026 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.626 1.597 -0.381 1.00 0.00 C ATOM 0 H VAL A 66 3.012 2.321 -2.648 1.00 0.00 H new ATOM 0 HA VAL A 66 3.540 3.431 -0.170 1.00 0.00 H new ATOM 0 HB VAL A 66 3.353 0.535 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.985 -0.022 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.612 0.644 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.345 1.662 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.089 0.696 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.389 2.405 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.326 1.883 -1.389 1.00 0.00 H new ATOM 771 N TYR A 67 6.110 1.799 -1.438 1.00 0.00 N ATOM 772 CA TYR A 67 7.552 1.616 -1.306 1.00 0.00 C ATOM 773 C TYR A 67 8.292 2.950 -1.437 1.00 0.00 C ATOM 774 O TYR A 67 9.171 3.257 -0.632 1.00 0.00 O ATOM 775 CB TYR A 67 8.076 0.626 -2.352 1.00 0.00 C ATOM 776 CG TYR A 67 9.578 0.424 -2.298 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.146 -0.514 -1.444 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.427 1.178 -3.099 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.516 -0.692 -1.391 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.796 1.004 -3.053 1.00 0.00 C ATOM 781 CZ TYR A 67 12.336 0.070 -2.197 1.00 0.00 C ATOM 782 OH TYR A 67 13.703 -0.099 -2.143 1.00 0.00 O ATOM 0 H TYR A 67 5.711 1.411 -2.292 1.00 0.00 H new ATOM 0 HA TYR A 67 7.740 1.210 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.583 -0.336 -2.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.801 0.980 -3.345 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.507 -1.113 -0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.008 1.914 -3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 67 11.942 -1.424 -0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 67 12.440 1.597 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 67 14.134 0.514 -2.775 1.00 0.00 H new ATOM 792 N GLU A 68 7.942 3.731 -2.454 1.00 0.00 N ATOM 793 CA GLU A 68 8.605 5.013 -2.693 1.00 0.00 C ATOM 794 C GLU A 68 8.447 5.945 -1.496 1.00 0.00 C ATOM 795 O GLU A 68 9.422 6.507 -1.006 1.00 0.00 O ATOM 796 CB GLU A 68 8.054 5.686 -3.950 1.00 0.00 C ATOM 797 CG GLU A 68 8.181 4.836 -5.199 1.00 0.00 C ATOM 798 CD GLU A 68 7.962 5.628 -6.468 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.793 5.870 -6.834 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.963 6.019 -7.106 1.00 0.00 O ATOM 0 H GLU A 68 7.207 3.503 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 68 9.666 4.811 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.003 5.929 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.579 6.628 -4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.172 4.382 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.458 4.022 -5.154 1.00 0.00 H new ATOM 807 N LEU A 69 7.217 6.077 -1.015 1.00 0.00 N ATOM 808 CA LEU A 69 6.906 6.938 0.124 1.00 0.00 C ATOM 809 C LEU A 69 7.753 6.577 1.350 1.00 0.00 C ATOM 810 O LEU A 69 8.065 7.441 2.173 1.00 0.00 O ATOM 811 CB LEU A 69 5.413 6.847 0.438 1.00 0.00 C ATOM 812 CG LEU A 69 4.492 7.479 -0.611 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.042 7.304 -0.212 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.797 8.959 -0.786 1.00 0.00 C ATOM 0 H LEU A 69 6.407 5.592 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 69 7.152 7.967 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.144 5.797 0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.229 7.328 1.399 1.00 0.00 H new ATOM 0 HG LEU A 69 4.670 6.972 -1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.400 7.758 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.812 6.241 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.869 7.786 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.129 9.382 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.651 9.475 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.830 9.082 -1.110 1.00 0.00 H new ATOM 826 N MET A 70 8.140 5.308 1.458 1.00 0.00 N ATOM 827 CA MET A 70 9.023 4.861 2.538 1.00 0.00 C ATOM 828 C MET A 70 10.343 5.625 2.507 1.00 0.00 C ATOM 829 O MET A 70 10.744 6.232 3.501 1.00 0.00 O ATOM 830 CB MET A 70 9.320 3.361 2.429 1.00 0.00 C ATOM 831 CG MET A 70 8.109 2.464 2.609 1.00 0.00 C ATOM 832 SD MET A 70 8.512 0.719 2.409 1.00 0.00 S ATOM 833 CE MET A 70 6.884 -0.002 2.574 1.00 0.00 C ATOM 0 H MET A 70 7.858 4.570 0.813 1.00 0.00 H new ATOM 0 HA MET A 70 8.506 5.057 3.477 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.762 3.161 1.453 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.067 3.096 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.685 2.625 3.600 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.343 2.743 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.779 -0.441 3.566 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.128 0.771 2.438 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.751 -0.776 1.819 1.00 0.00 H new ATOM 843 N GLN A 71 11.007 5.614 1.355 1.00 0.00 N ATOM 844 CA GLN A 71 12.302 6.268 1.222 1.00 0.00 C ATOM 845 C GLN A 71 12.142 7.777 1.080 1.00 0.00 C ATOM 846 O GLN A 71 13.090 8.529 1.298 1.00 0.00 O ATOM 847 CB GLN A 71 13.086 5.696 0.036 1.00 0.00 C ATOM 848 CG GLN A 71 12.260 5.528 -1.225 1.00 0.00 C ATOM 849 CD GLN A 71 13.104 5.204 -2.442 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.381 4.040 -2.729 1.00 0.00 O ATOM 851 NE2 GLN A 71 13.518 6.232 -3.168 1.00 0.00 N ATOM 0 H GLN A 71 10.671 5.162 0.505 1.00 0.00 H new ATOM 0 HA GLN A 71 12.868 6.071 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.930 6.352 -0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.499 4.728 0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.530 4.733 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.699 6.444 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.267 7.182 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.088 6.073 -3.999 1.00 0.00 H new ATOM 860 N GLU A 72 10.944 8.220 0.712 1.00 0.00 N ATOM 861 CA GLU A 72 10.650 9.646 0.656 1.00 0.00 C ATOM 862 C GLU A 72 10.635 10.231 2.063 1.00 0.00 C ATOM 863 O GLU A 72 10.966 11.399 2.271 1.00 0.00 O ATOM 864 CB GLU A 72 9.311 9.911 -0.037 1.00 0.00 C ATOM 865 CG GLU A 72 9.274 9.433 -1.479 1.00 0.00 C ATOM 866 CD GLU A 72 8.001 9.817 -2.212 1.00 0.00 C ATOM 867 OE1 GLU A 72 7.427 10.881 -1.904 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.570 9.056 -3.109 1.00 0.00 O ATOM 0 H GLU A 72 10.166 7.615 0.450 1.00 0.00 H new ATOM 0 HA GLU A 72 11.433 10.130 0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.517 9.417 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.102 10.980 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.130 9.846 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.381 8.348 -1.497 1.00 0.00 H new ATOM 875 N GLY A 73 10.251 9.404 3.029 1.00 0.00 N ATOM 876 CA GLY A 73 10.283 9.817 4.414 1.00 0.00 C ATOM 877 C GLY A 73 8.901 10.086 4.951 1.00 0.00 C ATOM 878 O GLY A 73 8.720 10.891 5.865 1.00 0.00 O ATOM 0 H GLY A 73 9.918 8.453 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.761 9.042 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.892 10.716 4.511 1.00 0.00 H new ATOM 882 N LYS A 74 7.921 9.415 4.372 1.00 0.00 N ATOM 883 CA LYS A 74 6.540 9.596 4.772 1.00 0.00 C ATOM 884 C LYS A 74 6.250 8.797 6.037 1.00 0.00 C ATOM 885 O LYS A 74 6.964 7.854 6.372 1.00 0.00 O ATOM 886 CB LYS A 74 5.603 9.140 3.654 1.00 0.00 C ATOM 887 CG LYS A 74 5.991 9.659 2.277 1.00 0.00 C ATOM 888 CD LYS A 74 5.661 11.127 2.120 1.00 0.00 C ATOM 889 CE LYS A 74 6.384 11.739 0.941 1.00 0.00 C ATOM 890 NZ LYS A 74 6.263 13.222 0.931 1.00 0.00 N ATOM 0 H LYS A 74 8.058 8.738 3.621 1.00 0.00 H new ATOM 0 HA LYS A 74 6.373 10.655 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.585 8.050 3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.590 9.470 3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.059 9.507 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.470 9.085 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.585 11.246 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.933 11.661 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.437 11.460 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.977 11.334 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.771 13.606 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.259 13.488 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.674 13.610 1.804 1.00 0.00 H new ATOM 904 N SER A 75 5.196 9.180 6.729 1.00 0.00 N ATOM 905 CA SER A 75 4.749 8.464 7.917 1.00 0.00 C ATOM 906 C SER A 75 3.676 7.462 7.517 1.00 0.00 C ATOM 907 O SER A 75 3.195 7.511 6.394 1.00 0.00 O ATOM 908 CB SER A 75 4.219 9.452 8.953 1.00 0.00 C ATOM 909 OG SER A 75 5.218 10.397 9.301 1.00 0.00 O ATOM 0 H SER A 75 4.625 9.991 6.490 1.00 0.00 H new ATOM 0 HA SER A 75 5.585 7.926 8.365 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.345 9.969 8.556 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.894 8.914 9.844 1.00 0.00 H new ATOM 0 HG SER A 75 4.859 11.023 9.965 1.00 0.00 H new ATOM 915 N LYS A 76 3.295 6.567 8.416 1.00 0.00 N ATOM 916 CA LYS A 76 2.358 5.497 8.073 1.00 0.00 C ATOM 917 C LYS A 76 1.056 6.054 7.505 1.00 0.00 C ATOM 918 O LYS A 76 0.651 5.695 6.398 1.00 0.00 O ATOM 919 CB LYS A 76 2.088 4.610 9.284 1.00 0.00 C ATOM 920 CG LYS A 76 3.010 3.397 9.389 1.00 0.00 C ATOM 921 CD LYS A 76 4.482 3.765 9.581 1.00 0.00 C ATOM 922 CE LYS A 76 5.182 4.059 8.263 1.00 0.00 C ATOM 923 NZ LYS A 76 6.624 4.358 8.456 1.00 0.00 N ATOM 0 H LYS A 76 3.616 6.556 9.384 1.00 0.00 H new ATOM 0 HA LYS A 76 2.820 4.887 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.190 5.209 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.055 4.265 9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.687 2.776 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.909 2.794 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.554 4.638 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.995 2.948 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.075 3.203 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.698 4.905 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.169 3.969 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.762 5.388 8.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.952 3.927 9.344 1.00 0.00 H new ATOM 937 N LYS A 77 0.415 6.937 8.250 1.00 0.00 N ATOM 938 CA LYS A 77 -0.804 7.583 7.780 1.00 0.00 C ATOM 939 C LYS A 77 -0.493 8.504 6.620 1.00 0.00 C ATOM 940 O LYS A 77 -1.325 8.719 5.751 1.00 0.00 O ATOM 941 CB LYS A 77 -1.458 8.373 8.904 1.00 0.00 C ATOM 942 CG LYS A 77 -1.588 7.573 10.178 1.00 0.00 C ATOM 943 CD LYS A 77 -2.352 6.283 9.933 1.00 0.00 C ATOM 944 CE LYS A 77 -2.677 5.561 11.227 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.628 4.440 11.010 1.00 0.00 N ATOM 0 H LYS A 77 0.715 7.225 9.181 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.496 6.809 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.871 9.270 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.447 8.702 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.597 7.344 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.102 8.167 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.276 6.505 9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.762 5.629 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.758 5.177 11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.104 6.267 11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.047 4.159 11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.382 4.745 10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.122 3.631 10.597 1.00 0.00 H new ATOM 959 N GLU A 78 0.708 9.047 6.622 1.00 0.00 N ATOM 960 CA GLU A 78 1.157 9.920 5.542 1.00 0.00 C ATOM 961 C GLU A 78 1.246 9.157 4.216 1.00 0.00 C ATOM 962 O GLU A 78 0.842 9.677 3.180 1.00 0.00 O ATOM 963 CB GLU A 78 2.501 10.552 5.896 1.00 0.00 C ATOM 964 CG GLU A 78 3.103 11.405 4.793 1.00 0.00 C ATOM 965 CD GLU A 78 2.230 12.581 4.404 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.892 13.392 5.286 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.854 12.682 3.217 1.00 0.00 O ATOM 0 H GLU A 78 1.397 8.902 7.360 1.00 0.00 H new ATOM 0 HA GLU A 78 0.422 10.715 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.376 11.167 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.205 9.760 6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.075 11.775 5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.276 10.783 3.915 1.00 0.00 H new ATOM 974 N ILE A 79 1.765 7.925 4.247 1.00 0.00 N ATOM 975 CA ILE A 79 1.814 7.094 3.044 1.00 0.00 C ATOM 976 C ILE A 79 0.407 6.899 2.490 1.00 0.00 C ATOM 977 O ILE A 79 0.145 7.190 1.326 1.00 0.00 O ATOM 978 CB ILE A 79 2.464 5.698 3.285 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.987 5.754 3.153 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.921 4.676 2.297 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.729 5.841 4.466 1.00 0.00 C ATOM 0 H ILE A 79 2.152 7.487 5.083 1.00 0.00 H new ATOM 0 HA ILE A 79 2.442 7.625 2.329 1.00 0.00 H new ATOM 0 HB ILE A 79 2.211 5.400 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.325 4.867 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.254 6.616 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.387 3.708 2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.842 4.588 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.145 4.998 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.802 5.876 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.425 6.743 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.497 4.967 5.074 1.00 0.00 H new ATOM 993 N VAL A 80 -0.505 6.448 3.341 1.00 0.00 N ATOM 994 CA VAL A 80 -1.860 6.156 2.902 1.00 0.00 C ATOM 995 C VAL A 80 -2.621 7.441 2.560 1.00 0.00 C ATOM 996 O VAL A 80 -3.429 7.461 1.628 1.00 0.00 O ATOM 997 CB VAL A 80 -2.635 5.308 3.936 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.585 5.925 5.321 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.068 5.129 3.494 1.00 0.00 C ATOM 0 H VAL A 80 -0.332 6.278 4.332 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.780 5.559 1.993 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.152 4.333 3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.141 5.299 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.548 6.000 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.030 6.920 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.604 4.530 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.545 6.105 3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.091 4.623 2.529 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.347 8.513 3.292 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.923 9.818 2.979 1.00 0.00 C ATOM 1011 C ASP A 81 -2.450 10.280 1.613 1.00 0.00 C ATOM 1012 O ASP A 81 -3.217 10.836 0.835 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.537 10.857 4.032 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.001 12.252 3.666 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.204 12.548 3.830 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.164 13.059 3.202 1.00 0.00 O ATOM 0 H ASP A 81 -1.731 8.507 4.105 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.008 9.716 2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.968 10.574 4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.454 10.859 4.157 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.182 10.024 1.327 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.597 10.366 0.039 1.00 0.00 C ATOM 1023 C TYR A 82 -1.315 9.599 -1.054 1.00 0.00 C ATOM 1024 O TYR A 82 -1.629 10.135 -2.121 1.00 0.00 O ATOM 1025 CB TYR A 82 0.885 10.004 0.008 1.00 0.00 C ATOM 1026 CG TYR A 82 1.701 10.883 -0.908 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.684 10.696 -2.285 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.490 11.901 -0.394 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.430 11.501 -3.122 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.240 12.710 -1.224 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.207 12.506 -2.586 1.00 0.00 C ATOM 1032 OH TYR A 82 3.958 13.305 -3.416 1.00 0.00 O ATOM 0 H TYR A 82 -0.534 9.577 1.976 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.702 11.439 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.289 10.072 1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.991 8.966 -0.308 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.077 9.908 -2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.518 12.064 0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.405 11.345 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 82 3.849 13.499 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 82 4.447 13.964 -2.881 1.00 0.00 H new ATOM 1042 N MET A 83 -1.570 8.333 -0.758 1.00 0.00 N ATOM 1043 CA MET A 83 -2.275 7.447 -1.663 1.00 0.00 C ATOM 1044 C MET A 83 -3.637 8.010 -2.008 1.00 0.00 C ATOM 1045 O MET A 83 -3.954 8.198 -3.170 1.00 0.00 O ATOM 1046 CB MET A 83 -2.450 6.067 -1.032 1.00 0.00 C ATOM 1047 CG MET A 83 -1.145 5.380 -0.681 1.00 0.00 C ATOM 1048 SD MET A 83 -0.110 5.075 -2.118 1.00 0.00 S ATOM 1049 CE MET A 83 -1.223 4.114 -3.135 1.00 0.00 C ATOM 0 H MET A 83 -1.292 7.893 0.119 1.00 0.00 H new ATOM 0 HA MET A 83 -1.682 7.357 -2.573 1.00 0.00 H new ATOM 0 HB2 MET A 83 -3.051 6.166 -0.128 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.009 5.433 -1.720 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.596 5.995 0.032 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.360 4.433 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.688 3.742 -4.008 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.607 3.272 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.053 4.741 -3.459 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.442 8.281 -0.992 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.799 8.777 -1.220 1.00 0.00 C ATOM 1061 C VAL A 84 -5.780 10.174 -1.829 1.00 0.00 C ATOM 1062 O VAL A 84 -6.680 10.546 -2.581 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.658 8.790 0.069 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.551 7.467 0.804 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -6.293 9.953 0.982 1.00 0.00 C ATOM 0 H VAL A 84 -4.187 8.169 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.258 8.079 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.696 8.930 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.163 7.501 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.902 6.662 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.512 7.286 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.919 9.925 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.245 9.874 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.454 10.894 0.455 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.752 10.940 -1.496 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.629 12.301 -1.980 1.00 0.00 C ATOM 1077 C ALA A 85 -4.468 12.332 -3.499 1.00 0.00 C ATOM 1078 O ALA A 85 -5.113 13.124 -4.188 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.456 12.993 -1.302 1.00 0.00 C ATOM 0 H ALA A 85 -3.989 10.638 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.545 12.837 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.373 14.015 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.617 13.010 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.537 12.451 -1.523 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.593 11.481 -4.017 1.00 0.00 N ATOM 1086 CA ARG A 86 -3.328 11.432 -5.455 1.00 0.00 C ATOM 1087 C ARG A 86 -4.118 10.312 -6.131 1.00 0.00 C ATOM 1088 O ARG A 86 -4.861 10.543 -7.086 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.830 11.238 -5.716 1.00 0.00 C ATOM 1090 CG ARG A 86 -1.035 12.531 -5.902 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.954 13.373 -4.633 1.00 0.00 C ATOM 1092 NE ARG A 86 -2.175 14.143 -4.384 1.00 0.00 N ATOM 1093 CZ ARG A 86 -2.191 15.345 -3.804 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -1.053 15.929 -3.440 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -3.347 15.966 -3.592 1.00 0.00 N ATOM 0 H ARG A 86 -3.053 10.814 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.649 12.382 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.400 10.681 -4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.708 10.623 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.026 12.285 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.495 13.122 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.761 12.721 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.108 14.056 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.066 13.737 -4.671 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.163 15.458 -3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.070 16.848 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.222 15.524 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.359 16.885 -3.149 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.977 9.109 -5.600 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.564 7.909 -6.190 1.00 0.00 C ATOM 1111 C TYR A 87 -5.961 7.647 -5.633 1.00 0.00 C ATOM 1112 O TYR A 87 -6.422 6.511 -5.615 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.662 6.701 -5.907 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.241 6.855 -6.415 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.962 6.826 -7.774 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.181 7.035 -5.531 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.670 6.970 -8.242 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.118 7.181 -5.991 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.365 7.149 -7.349 1.00 0.00 C ATOM 1120 OH TYR A 87 1.652 7.296 -7.816 1.00 0.00 O ATOM 0 H TYR A 87 -3.451 8.932 -4.744 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.648 8.064 -7.266 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.635 6.526 -4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.105 5.816 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.769 6.688 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.374 7.061 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.472 6.942 -9.303 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.931 7.319 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 87 2.062 8.085 -7.403 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.645 8.707 -5.218 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.921 8.563 -4.535 1.00 0.00 C ATOM 1132 C GLY A 88 -9.011 7.947 -5.395 1.00 0.00 C ATOM 1133 O GLY A 88 -10.051 7.548 -4.883 1.00 0.00 O ATOM 0 H GLY A 88 -6.337 9.671 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.780 7.946 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.252 9.544 -4.193 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.775 7.856 -6.697 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.748 7.251 -7.602 1.00 0.00 C ATOM 1139 C ASN A 89 -9.620 5.734 -7.596 1.00 0.00 C ATOM 1140 O ASN A 89 -10.434 5.029 -8.189 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.579 7.784 -9.030 1.00 0.00 C ATOM 1142 CG ASN A 89 -9.952 9.249 -9.158 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -11.120 9.588 -9.341 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -8.964 10.126 -9.084 1.00 0.00 N ATOM 0 H ASN A 89 -7.924 8.191 -7.150 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.742 7.522 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.544 7.648 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.197 7.196 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.159 11.123 -9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.008 9.805 -8.931 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.593 5.239 -6.924 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.342 3.805 -6.855 1.00 0.00 C ATOM 1153 C PHE A 90 -8.174 3.350 -5.409 1.00 0.00 C ATOM 1154 O PHE A 90 -8.195 2.155 -5.118 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.079 3.448 -7.648 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.108 3.890 -9.084 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.738 3.121 -10.046 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.503 5.074 -9.471 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.767 3.523 -11.367 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.527 5.483 -10.790 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.162 4.706 -11.741 1.00 0.00 C ATOM 0 H PHE A 90 -7.917 5.810 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.202 3.294 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.216 3.899 -7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.936 2.368 -7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.213 2.194 -9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.006 5.685 -8.732 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.263 2.912 -12.107 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.050 6.408 -11.078 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.185 5.024 -12.773 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.011 4.307 -4.500 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.680 3.989 -3.116 1.00 0.00 C ATOM 1173 C VAL A 91 -8.571 4.767 -2.144 1.00 0.00 C ATOM 1174 O VAL A 91 -9.203 5.753 -2.527 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.193 4.314 -2.803 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.315 4.180 -4.033 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.050 5.704 -2.225 1.00 0.00 C ATOM 0 H VAL A 91 -8.102 5.304 -4.696 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.849 2.920 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.860 3.585 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.284 4.416 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.369 3.158 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.660 4.869 -4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.999 5.905 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.423 6.436 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.624 5.775 -1.301 1.00 0.00 H new ATOM 1187 N THR A 92 -8.621 4.314 -0.893 1.00 0.00 N ATOM 1188 CA THR A 92 -9.321 5.029 0.166 1.00 0.00 C ATOM 1189 C THR A 92 -8.750 4.651 1.539 1.00 0.00 C ATOM 1190 O THR A 92 -8.467 3.483 1.796 1.00 0.00 O ATOM 1191 CB THR A 92 -10.837 4.724 0.136 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.399 5.135 -1.119 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.563 5.429 1.274 1.00 0.00 C ATOM 0 H THR A 92 -8.180 3.446 -0.589 1.00 0.00 H new ATOM 0 HA THR A 92 -9.175 6.096 -0.004 1.00 0.00 H new ATOM 0 HB THR A 92 -10.964 3.648 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.730 5.640 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.627 5.196 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.159 5.090 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.423 6.506 1.183 1.00 0.00 H new ATOM 1201 N TYR A 93 -8.563 5.637 2.412 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.049 5.373 3.752 1.00 0.00 C ATOM 1203 C TYR A 93 -9.191 5.039 4.702 1.00 0.00 C ATOM 1204 O TYR A 93 -9.973 5.908 5.077 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.241 6.567 4.279 1.00 0.00 C ATOM 1206 CG TYR A 93 -6.840 6.432 5.738 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.104 5.338 6.177 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.197 7.397 6.673 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -5.736 5.206 7.502 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -6.833 7.273 8.001 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.101 6.174 8.410 1.00 0.00 C ATOM 1212 OH TYR A 93 -5.733 6.043 9.732 1.00 0.00 O ATOM 0 H TYR A 93 -8.758 6.619 2.218 1.00 0.00 H new ATOM 0 HA TYR A 93 -7.380 4.514 3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.342 6.683 3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.829 7.476 4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.814 4.576 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.768 8.257 6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.165 4.348 7.824 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.119 8.031 8.715 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.067 6.810 10.242 1.00 0.00 H new ATOM 1222 N ASP A 94 -9.269 3.774 5.082 1.00 0.00 N ATOM 1223 CA ASP A 94 -10.346 3.276 5.929 1.00 0.00 C ATOM 1224 C ASP A 94 -9.877 2.035 6.676 1.00 0.00 C ATOM 1225 O ASP A 94 -8.901 1.405 6.267 1.00 0.00 O ATOM 1226 CB ASP A 94 -11.574 2.925 5.080 1.00 0.00 C ATOM 1227 CG ASP A 94 -12.675 3.961 5.158 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.398 3.993 6.173 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -12.801 4.776 4.220 1.00 0.00 O ATOM 0 H ASP A 94 -8.589 3.062 4.814 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.619 4.054 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.267 2.810 4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.968 1.962 5.405 1.00 0.00 H new ATOM 1234 N PRO A 95 -10.537 1.674 7.789 1.00 0.00 N ATOM 1235 CA PRO A 95 -10.261 0.413 8.490 1.00 0.00 C ATOM 1236 C PRO A 95 -10.526 -0.790 7.581 1.00 0.00 C ATOM 1237 O PRO A 95 -11.170 -0.648 6.543 1.00 0.00 O ATOM 1238 CB PRO A 95 -11.243 0.431 9.670 1.00 0.00 C ATOM 1239 CG PRO A 95 -12.286 1.430 9.298 1.00 0.00 C ATOM 1240 CD PRO A 95 -11.589 2.456 8.455 1.00 0.00 C ATOM 0 HA PRO A 95 -9.221 0.325 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.681 -0.554 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.741 0.713 10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.100 0.959 8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.725 1.886 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.267 2.916 7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.172 3.261 9.060 1.00 0.00 H new ATOM 1248 N PRO A 96 -10.056 -1.996 7.938 1.00 0.00 N ATOM 1249 CA PRO A 96 -10.228 -3.164 7.089 1.00 0.00 C ATOM 1250 C PRO A 96 -11.660 -3.691 7.145 1.00 0.00 C ATOM 1251 O PRO A 96 -12.560 -3.029 7.667 1.00 0.00 O ATOM 1252 CB PRO A 96 -9.238 -4.192 7.661 1.00 0.00 C ATOM 1253 CG PRO A 96 -8.551 -3.536 8.814 1.00 0.00 C ATOM 1254 CD PRO A 96 -9.361 -2.332 9.183 1.00 0.00 C ATOM 0 HA PRO A 96 -10.042 -2.941 6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.760 -5.093 7.984 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.516 -4.496 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.475 -4.222 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.535 -3.248 8.544 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.062 -2.551 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.729 -1.512 9.525 1.00 0.00 H new ATOM 1262 N LEU A 97 -11.864 -4.879 6.604 1.00 0.00 N ATOM 1263 CA LEU A 97 -13.173 -5.526 6.624 1.00 0.00 C ATOM 1264 C LEU A 97 -13.280 -6.388 7.862 1.00 0.00 C ATOM 1265 O LEU A 97 -14.104 -7.301 7.950 1.00 0.00 O ATOM 1266 CB LEU A 97 -13.361 -6.385 5.381 1.00 0.00 C ATOM 1267 CG LEU A 97 -13.668 -5.626 4.082 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -14.906 -4.760 4.254 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -12.480 -4.782 3.638 1.00 0.00 C ATOM 0 H LEU A 97 -11.136 -5.423 6.141 1.00 0.00 H new ATOM 0 HA LEU A 97 -13.950 -4.761 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.456 -6.974 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.172 -7.089 5.568 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.862 -6.362 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.110 -4.229 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.759 -5.390 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.738 -4.040 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.730 -4.258 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.239 -4.056 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.619 -5.428 3.466 1.00 0.00 H new ATOM 1281 N THR A 98 -12.399 -6.084 8.792 1.00 0.00 N ATOM 1282 CA THR A 98 -12.306 -6.770 10.064 1.00 0.00 C ATOM 1283 C THR A 98 -13.671 -6.864 10.761 1.00 0.00 C ATOM 1284 O THR A 98 -14.344 -5.854 10.983 1.00 0.00 O ATOM 1285 CB THR A 98 -11.289 -6.053 10.990 1.00 0.00 C ATOM 1286 OG1 THR A 98 -11.239 -6.691 12.273 1.00 0.00 O ATOM 1287 CG2 THR A 98 -11.640 -4.577 11.166 1.00 0.00 C ATOM 0 H THR A 98 -11.713 -5.337 8.682 1.00 0.00 H new ATOM 0 HA THR A 98 -11.961 -7.784 9.864 1.00 0.00 H new ATOM 0 HB THR A 98 -10.310 -6.121 10.515 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.591 -6.227 12.844 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.908 -4.104 11.820 1.00 0.00 H new ATOM 0 HG22 THR A 98 -11.631 -4.083 10.195 1.00 0.00 H new ATOM 0 HG23 THR A 98 -12.632 -4.489 11.609 1.00 0.00 H new ATOM 1295 N PRO A 99 -14.110 -8.094 11.068 1.00 0.00 N ATOM 1296 CA PRO A 99 -15.329 -8.331 11.843 1.00 0.00 C ATOM 1297 C PRO A 99 -15.162 -7.896 13.296 1.00 0.00 C ATOM 1298 O PRO A 99 -15.536 -6.753 13.625 1.00 0.00 O ATOM 1299 CB PRO A 99 -15.529 -9.846 11.749 1.00 0.00 C ATOM 1300 CG PRO A 99 -14.171 -10.396 11.477 1.00 0.00 C ATOM 1301 CD PRO A 99 -13.450 -9.352 10.674 1.00 0.00 C ATOM 0 HA PRO A 99 -16.179 -7.763 11.465 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.940 -10.248 12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -16.227 -10.104 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -13.642 -10.606 12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -14.234 -11.335 10.927 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -12.385 -9.335 10.904 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.542 -9.535 9.603 1.00 0.00 H new TER 1309 PRO A 99