USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 928 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 58 SER OG : rot 153:sc= -7.19! USER MOD Set 1.2: A 91 HIS : no HE2:sc= -3.01! C(o=-10!,f=-16!) USER MOD Set 2.1: A 84 HIS : no HD1:sc= -1.16 X(o=-2.5,f=-2.1) USER MOD Set 2.2: A 99 MET CE :methyl 139:sc= -1.34 (180deg=-4.74!) USER MOD Set 3.1: A 51 GLN : amide:sc= -1.35 K(o=-2.3,f=-3.6) USER MOD Set 3.2: A 97 GLN : amide:sc= -0.957 K(o=-2.3,f=-4.6) USER MOD Set 4.1: A 30 HIS : no HD1:sc= -1.74 K(o=-5.1,f=-6.1) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 38 CYS SG : rot 100:sc= -3.35 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -67:sc= 1.09 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 180:sc= -0.692 USER MOD Single : A 32 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.5) USER MOD Single : A 33 THR OG1 : rot -109:sc= 0.269 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.2!) USER MOD Single : A 42 SER OG : rot -80:sc= 0.382 USER MOD Single : A 56 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.186) USER MOD Single : A 62 LYS NZ :NH3+ -131:sc= -0.727 (180deg=-1.78) USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= -1.29 (180deg=-2.38!) USER MOD Single : A 65 MET CE :methyl -121:sc= -2.67! (180deg=-7.03!) USER MOD Single : A 70 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.38) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-2.9!) USER MOD Single : A 76 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 86 SER OG : rot 66:sc= 0.841 USER MOD Single : A 88 MET CE :methyl 164:sc= -1.14 (180deg=-1.58) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 15:sc= -1.41 USER MOD Single : A 103 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.986) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 147:sc= -0.387 (180deg=-2.42!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.307 14.760 9.875 1.00 0.00 N ATOM 2 CA GLY A 1 4.976 14.269 10.189 1.00 0.00 C ATOM 3 C GLY A 1 5.044 12.920 10.908 1.00 0.00 C ATOM 4 O GLY A 1 5.475 11.925 10.328 1.00 0.00 O ATOM 0 H1 GLY A 1 6.233 15.676 9.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.850 14.878 10.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.792 14.078 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.456 14.993 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.396 14.167 9.272 1.00 0.00 H new ATOM 8 N SER A 2 4.612 12.931 12.160 1.00 0.00 N ATOM 9 CA SER A 2 4.618 11.721 12.965 1.00 0.00 C ATOM 10 C SER A 2 4.024 12.006 14.345 1.00 0.00 C ATOM 11 O SER A 2 4.732 12.440 15.252 1.00 0.00 O ATOM 12 CB SER A 2 6.034 11.158 13.102 1.00 0.00 C ATOM 13 OG SER A 2 6.235 10.009 12.284 1.00 0.00 O ATOM 0 H SER A 2 4.255 13.759 12.637 1.00 0.00 H new ATOM 0 HA SER A 2 4.006 10.973 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.757 11.927 12.830 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.221 10.898 14.144 1.00 0.00 H new ATOM 0 HG SER A 2 5.682 9.271 12.615 1.00 0.00 H new ATOM 19 N SER A 3 2.729 11.752 14.461 1.00 0.00 N ATOM 20 CA SER A 3 2.031 11.976 15.716 1.00 0.00 C ATOM 21 C SER A 3 0.685 11.250 15.703 1.00 0.00 C ATOM 22 O SER A 3 0.251 10.756 14.663 1.00 0.00 O ATOM 23 CB SER A 3 1.826 13.470 15.972 1.00 0.00 C ATOM 24 OG SER A 3 1.054 14.087 14.945 1.00 0.00 O ATOM 0 H SER A 3 2.144 11.393 13.706 1.00 0.00 H new ATOM 0 HA SER A 3 2.644 11.577 16.524 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.329 13.608 16.932 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.796 13.962 16.042 1.00 0.00 H new ATOM 0 HG SER A 3 0.944 15.040 15.146 1.00 0.00 H new ATOM 30 N GLY A 4 0.060 11.208 16.871 1.00 0.00 N ATOM 31 CA GLY A 4 -1.228 10.550 17.007 1.00 0.00 C ATOM 32 C GLY A 4 -2.150 11.337 17.941 1.00 0.00 C ATOM 33 O GLY A 4 -1.832 11.531 19.114 1.00 0.00 O ATOM 0 H GLY A 4 0.422 11.619 17.731 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.695 10.451 16.027 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.086 9.541 17.395 1.00 0.00 H new ATOM 37 N SER A 5 -3.273 11.769 17.386 1.00 0.00 N ATOM 38 CA SER A 5 -4.242 12.531 18.155 1.00 0.00 C ATOM 39 C SER A 5 -5.631 12.394 17.528 1.00 0.00 C ATOM 40 O SER A 5 -5.789 12.555 16.319 1.00 0.00 O ATOM 41 CB SER A 5 -3.841 14.005 18.241 1.00 0.00 C ATOM 42 OG SER A 5 -4.810 14.782 18.941 1.00 0.00 O ATOM 0 H SER A 5 -3.533 11.606 16.413 1.00 0.00 H new ATOM 0 HA SER A 5 -4.266 12.130 19.168 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.877 14.090 18.743 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.713 14.405 17.235 1.00 0.00 H new ATOM 0 HG SER A 5 -4.517 15.716 18.976 1.00 0.00 H new ATOM 48 N SER A 6 -6.603 12.099 18.379 1.00 0.00 N ATOM 49 CA SER A 6 -7.973 11.939 17.924 1.00 0.00 C ATOM 50 C SER A 6 -8.766 13.221 18.188 1.00 0.00 C ATOM 51 O SER A 6 -8.608 13.848 19.234 1.00 0.00 O ATOM 52 CB SER A 6 -8.646 10.748 18.610 1.00 0.00 C ATOM 53 OG SER A 6 -8.232 9.505 18.050 1.00 0.00 O ATOM 0 H SER A 6 -6.468 11.967 19.381 1.00 0.00 H new ATOM 0 HA SER A 6 -7.956 11.744 16.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.411 10.762 19.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.728 10.843 18.522 1.00 0.00 H new ATOM 0 HG SER A 6 -8.682 8.770 18.516 1.00 0.00 H new ATOM 59 N GLY A 7 -9.600 13.572 17.221 1.00 0.00 N ATOM 60 CA GLY A 7 -10.418 14.768 17.335 1.00 0.00 C ATOM 61 C GLY A 7 -10.966 15.190 15.971 1.00 0.00 C ATOM 62 O GLY A 7 -12.167 15.093 15.723 1.00 0.00 O ATOM 0 H GLY A 7 -9.727 13.049 16.354 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.244 14.584 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.826 15.579 17.760 1.00 0.00 H new ATOM 66 N VAL A 8 -10.059 15.650 15.121 1.00 0.00 N ATOM 67 CA VAL A 8 -10.436 16.088 13.788 1.00 0.00 C ATOM 68 C VAL A 8 -10.305 14.915 12.814 1.00 0.00 C ATOM 69 O VAL A 8 -9.444 14.925 11.937 1.00 0.00 O ATOM 70 CB VAL A 8 -9.598 17.301 13.378 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.820 17.648 11.905 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.898 18.503 14.277 1.00 0.00 C ATOM 0 H VAL A 8 -9.064 15.729 15.330 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.477 16.409 13.773 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.547 17.041 13.505 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.213 18.513 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.533 16.799 11.284 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.872 17.879 11.740 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.290 19.352 13.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.953 18.764 14.196 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.665 18.251 15.312 1.00 0.00 H new ATOM 82 N ILE A 9 -11.173 13.931 13.003 1.00 0.00 N ATOM 83 CA ILE A 9 -11.165 12.753 12.152 1.00 0.00 C ATOM 84 C ILE A 9 -11.620 13.143 10.745 1.00 0.00 C ATOM 85 O ILE A 9 -11.955 14.299 10.495 1.00 0.00 O ATOM 86 CB ILE A 9 -11.997 11.633 12.780 1.00 0.00 C ATOM 87 CG1 ILE A 9 -11.549 10.263 12.267 1.00 0.00 C ATOM 88 CG2 ILE A 9 -13.492 11.869 12.554 1.00 0.00 C ATOM 89 CD1 ILE A 9 -11.745 9.187 13.337 1.00 0.00 C ATOM 0 H ILE A 9 -11.886 13.926 13.733 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.154 12.355 12.061 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.828 11.644 13.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.117 10.001 11.374 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.499 10.305 11.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.061 11.059 13.010 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.783 12.817 13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.698 11.900 11.484 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.419 8.223 12.947 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.157 9.440 14.219 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.799 9.131 13.608 1.00 0.00 H new ATOM 101 N GLU A 10 -11.617 12.155 9.862 1.00 0.00 N ATOM 102 CA GLU A 10 -12.025 12.380 8.485 1.00 0.00 C ATOM 103 C GLU A 10 -11.099 13.398 7.817 1.00 0.00 C ATOM 104 O GLU A 10 -10.950 14.519 8.301 1.00 0.00 O ATOM 105 CB GLU A 10 -13.484 12.835 8.414 1.00 0.00 C ATOM 106 CG GLU A 10 -14.436 11.668 8.677 1.00 0.00 C ATOM 107 CD GLU A 10 -15.880 12.054 8.349 1.00 0.00 C ATOM 108 OE1 GLU A 10 -16.256 11.893 7.168 1.00 0.00 O ATOM 109 OE2 GLU A 10 -16.575 12.500 9.287 1.00 0.00 O ATOM 0 H GLU A 10 -11.339 11.197 10.073 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.946 11.437 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.659 13.623 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.688 13.261 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.140 10.809 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.365 11.364 9.721 1.00 0.00 H new ATOM 116 N SER A 11 -10.500 12.971 6.714 1.00 0.00 N ATOM 117 CA SER A 11 -9.593 13.831 5.974 1.00 0.00 C ATOM 118 C SER A 11 -8.317 14.066 6.785 1.00 0.00 C ATOM 119 O SER A 11 -7.961 15.208 7.072 1.00 0.00 O ATOM 120 CB SER A 11 -10.257 15.166 5.631 1.00 0.00 C ATOM 121 OG SER A 11 -9.640 15.797 4.512 1.00 0.00 O ATOM 0 H SER A 11 -10.626 12.040 6.316 1.00 0.00 H new ATOM 0 HA SER A 11 -9.336 13.333 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.313 15.001 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.206 15.829 6.495 1.00 0.00 H new ATOM 0 HG SER A 11 -10.093 16.645 4.324 1.00 0.00 H new ATOM 127 N GLU A 12 -7.662 12.967 7.130 1.00 0.00 N ATOM 128 CA GLU A 12 -6.433 13.039 7.901 1.00 0.00 C ATOM 129 C GLU A 12 -5.841 11.640 8.087 1.00 0.00 C ATOM 130 O GLU A 12 -6.358 10.842 8.868 1.00 0.00 O ATOM 131 CB GLU A 12 -6.673 13.717 9.252 1.00 0.00 C ATOM 132 CG GLU A 12 -5.602 14.774 9.532 1.00 0.00 C ATOM 133 CD GLU A 12 -5.401 14.965 11.036 1.00 0.00 C ATOM 134 OE1 GLU A 12 -6.325 15.522 11.666 1.00 0.00 O ATOM 135 OE2 GLU A 12 -4.327 14.549 11.523 1.00 0.00 O ATOM 0 H GLU A 12 -7.960 12.022 6.889 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.715 13.646 7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.659 14.182 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.667 12.969 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.661 14.474 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.893 15.721 9.077 1.00 0.00 H new ATOM 142 N THR A 13 -4.764 11.387 7.358 1.00 0.00 N ATOM 143 CA THR A 13 -4.096 10.099 7.433 1.00 0.00 C ATOM 144 C THR A 13 -2.632 10.280 7.836 1.00 0.00 C ATOM 145 O THR A 13 -1.950 11.170 7.330 1.00 0.00 O ATOM 146 CB THR A 13 -4.272 9.396 6.085 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.587 8.850 6.148 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.367 8.170 5.941 1.00 0.00 C ATOM 0 H THR A 13 -4.338 12.052 6.713 1.00 0.00 H new ATOM 0 HA THR A 13 -4.538 9.469 8.205 1.00 0.00 H new ATOM 0 HB THR A 13 -4.062 10.099 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.785 8.377 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.532 7.709 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.324 8.476 6.026 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.600 7.451 6.727 1.00 0.00 H new ATOM 156 N LEU A 14 -2.191 9.423 8.745 1.00 0.00 N ATOM 157 CA LEU A 14 -0.819 9.477 9.222 1.00 0.00 C ATOM 158 C LEU A 14 0.009 8.409 8.506 1.00 0.00 C ATOM 159 O LEU A 14 -0.510 7.353 8.148 1.00 0.00 O ATOM 160 CB LEU A 14 -0.779 9.367 10.748 1.00 0.00 C ATOM 161 CG LEU A 14 -1.738 10.281 11.513 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.212 9.619 12.808 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.104 11.650 11.768 1.00 0.00 C ATOM 0 H LEU A 14 -2.759 8.687 9.164 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.370 10.441 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.995 8.335 11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.237 9.580 11.081 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.620 10.444 10.894 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.892 10.290 13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.729 8.689 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.352 9.405 13.443 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.806 12.280 12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.195 11.526 12.357 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.858 12.120 10.816 1.00 0.00 H new ATOM 175 N ILE A 15 1.283 8.720 8.318 1.00 0.00 N ATOM 176 CA ILE A 15 2.187 7.800 7.651 1.00 0.00 C ATOM 177 C ILE A 15 2.260 6.496 8.447 1.00 0.00 C ATOM 178 O ILE A 15 2.176 5.410 7.876 1.00 0.00 O ATOM 179 CB ILE A 15 3.550 8.458 7.423 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.475 7.541 6.621 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.179 8.889 8.749 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.788 8.248 6.281 1.00 0.00 C ATOM 0 H ILE A 15 1.710 9.597 8.616 1.00 0.00 H new ATOM 0 HA ILE A 15 1.810 7.548 6.660 1.00 0.00 H new ATOM 0 HB ILE A 15 3.399 9.360 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.682 6.637 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.977 7.230 5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.147 9.354 8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.524 9.605 9.247 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.315 8.016 9.388 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.427 7.574 5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.579 9.138 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.295 8.536 7.202 1.00 0.00 H new ATOM 194 N GLU A 16 2.416 6.646 9.754 1.00 0.00 N ATOM 195 CA GLU A 16 2.501 5.494 10.635 1.00 0.00 C ATOM 196 C GLU A 16 1.161 4.758 10.678 1.00 0.00 C ATOM 197 O GLU A 16 1.102 3.589 11.056 1.00 0.00 O ATOM 198 CB GLU A 16 2.945 5.909 12.040 1.00 0.00 C ATOM 199 CG GLU A 16 4.308 6.601 12.002 1.00 0.00 C ATOM 200 CD GLU A 16 4.713 7.091 13.394 1.00 0.00 C ATOM 201 OE1 GLU A 16 5.181 6.240 14.181 1.00 0.00 O ATOM 202 OE2 GLU A 16 4.545 8.305 13.639 1.00 0.00 O ATOM 0 H GLU A 16 2.486 7.548 10.224 1.00 0.00 H new ATOM 0 HA GLU A 16 3.254 4.813 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.205 6.580 12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.997 5.031 12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.060 5.910 11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.273 7.444 11.312 1.00 0.00 H new ATOM 209 N ASP A 17 0.117 5.473 10.286 1.00 0.00 N ATOM 210 CA ASP A 17 -1.220 4.903 10.275 1.00 0.00 C ATOM 211 C ASP A 17 -1.385 4.027 9.031 1.00 0.00 C ATOM 212 O ASP A 17 -2.144 3.059 9.046 1.00 0.00 O ATOM 213 CB ASP A 17 -2.286 5.999 10.226 1.00 0.00 C ATOM 214 CG ASP A 17 -2.990 6.276 11.556 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.576 5.653 12.558 1.00 0.00 O ATOM 216 OD2 ASP A 17 -3.925 7.105 11.541 1.00 0.00 O ATOM 0 H ASP A 17 0.170 6.442 9.973 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.345 4.319 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.821 6.922 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.037 5.722 9.486 1.00 0.00 H new ATOM 221 N VAL A 18 -0.663 4.398 7.985 1.00 0.00 N ATOM 222 CA VAL A 18 -0.720 3.658 6.736 1.00 0.00 C ATOM 223 C VAL A 18 0.398 2.614 6.715 1.00 0.00 C ATOM 224 O VAL A 18 0.347 1.660 5.939 1.00 0.00 O ATOM 225 CB VAL A 18 -0.658 4.624 5.551 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.816 3.878 4.225 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.709 5.728 5.688 1.00 0.00 C ATOM 0 H VAL A 18 -0.035 5.202 7.976 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.666 3.123 6.653 1.00 0.00 H new ATOM 0 HB VAL A 18 0.325 5.095 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.768 4.589 3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.014 3.147 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.778 3.366 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.643 6.401 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.703 5.282 5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.530 6.289 6.605 1.00 0.00 H new ATOM 237 N LEU A 19 1.381 2.829 7.576 1.00 0.00 N ATOM 238 CA LEU A 19 2.510 1.918 7.666 1.00 0.00 C ATOM 239 C LEU A 19 2.228 0.868 8.742 1.00 0.00 C ATOM 240 O LEU A 19 2.727 -0.253 8.666 1.00 0.00 O ATOM 241 CB LEU A 19 3.809 2.695 7.890 1.00 0.00 C ATOM 242 CG LEU A 19 4.461 3.287 6.639 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.505 2.331 6.060 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.405 3.678 5.603 1.00 0.00 C ATOM 0 H LEU A 19 1.420 3.621 8.218 1.00 0.00 H new ATOM 0 HA LEU A 19 2.644 1.383 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.608 3.507 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.528 2.031 8.371 1.00 0.00 H new ATOM 0 HG LEU A 19 4.984 4.199 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.953 2.776 5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.280 2.145 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.027 1.389 5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.895 4.096 4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.834 2.796 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.733 4.421 6.031 1.00 0.00 H new ATOM 256 N ARG A 20 1.428 1.269 9.720 1.00 0.00 N ATOM 257 CA ARG A 20 1.074 0.377 10.810 1.00 0.00 C ATOM 258 C ARG A 20 0.556 -0.954 10.260 1.00 0.00 C ATOM 259 O ARG A 20 1.026 -2.019 10.658 1.00 0.00 O ATOM 260 CB ARG A 20 0.003 1.001 11.707 1.00 0.00 C ATOM 261 CG ARG A 20 0.538 1.230 13.122 1.00 0.00 C ATOM 262 CD ARG A 20 1.767 2.141 13.103 1.00 0.00 C ATOM 263 NE ARG A 20 2.684 1.778 14.206 1.00 0.00 N ATOM 264 CZ ARG A 20 2.453 2.052 15.497 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.333 2.694 15.855 1.00 0.00 N ATOM 266 NH2 ARG A 20 3.341 1.684 16.430 1.00 0.00 N ATOM 0 H ARG A 20 1.015 2.200 9.780 1.00 0.00 H new ATOM 0 HA ARG A 20 1.973 0.205 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.326 1.949 11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.869 0.349 11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.240 1.676 13.741 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.797 0.273 13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.282 2.051 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.460 3.182 13.202 1.00 0.00 H new ATOM 0 HE ARG A 20 3.547 1.288 13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.656 2.974 15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.157 2.903 16.838 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.194 1.195 16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.164 1.893 17.413 1.00 0.00 H new ATOM 280 N PRO A 21 -0.430 -0.846 9.330 1.00 0.00 N ATOM 281 CA PRO A 21 -1.017 -2.028 8.721 1.00 0.00 C ATOM 282 C PRO A 21 -0.067 -2.644 7.693 1.00 0.00 C ATOM 283 O PRO A 21 0.194 -3.846 7.724 1.00 0.00 O ATOM 284 CB PRO A 21 -2.324 -1.549 8.111 1.00 0.00 C ATOM 285 CG PRO A 21 -2.200 -0.038 7.994 1.00 0.00 C ATOM 286 CD PRO A 21 -1.011 0.398 8.835 1.00 0.00 C ATOM 0 HA PRO A 21 -1.199 -2.826 9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.489 -2.004 7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.172 -1.824 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.059 0.254 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.112 0.448 8.341 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.292 0.962 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.322 1.044 9.656 1.00 0.00 H new ATOM 294 N LEU A 22 0.426 -1.793 6.805 1.00 0.00 N ATOM 295 CA LEU A 22 1.342 -2.238 5.769 1.00 0.00 C ATOM 296 C LEU A 22 2.435 -3.105 6.398 1.00 0.00 C ATOM 297 O LEU A 22 2.811 -4.136 5.843 1.00 0.00 O ATOM 298 CB LEU A 22 1.882 -1.043 4.981 1.00 0.00 C ATOM 299 CG LEU A 22 1.083 -0.642 3.739 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.530 0.724 3.217 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.167 -1.724 2.660 1.00 0.00 C ATOM 0 H LEU A 22 0.208 -0.797 6.782 1.00 0.00 H new ATOM 0 HA LEU A 22 0.821 -2.860 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.931 -0.184 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.904 -1.267 4.675 1.00 0.00 H new ATOM 0 HG LEU A 22 0.034 -0.551 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.946 0.985 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.376 1.477 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.587 0.685 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.591 -1.414 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.208 -1.872 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.762 -2.658 3.049 1.00 0.00 H new ATOM 313 N GLU A 23 2.913 -2.654 7.549 1.00 0.00 N ATOM 314 CA GLU A 23 3.955 -3.375 8.259 1.00 0.00 C ATOM 315 C GLU A 23 3.378 -4.629 8.919 1.00 0.00 C ATOM 316 O GLU A 23 3.989 -5.696 8.874 1.00 0.00 O ATOM 317 CB GLU A 23 4.636 -2.476 9.293 1.00 0.00 C ATOM 318 CG GLU A 23 5.804 -1.709 8.669 1.00 0.00 C ATOM 319 CD GLU A 23 7.035 -1.750 9.577 1.00 0.00 C ATOM 320 OE1 GLU A 23 7.248 -2.814 10.196 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.734 -0.715 9.630 1.00 0.00 O ATOM 0 H GLU A 23 2.598 -1.799 8.007 1.00 0.00 H new ATOM 0 HA GLU A 23 4.712 -3.683 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.911 -1.772 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.997 -3.081 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.049 -2.140 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.511 -0.674 8.494 1.00 0.00 H new ATOM 328 N GLN A 24 2.207 -4.460 9.515 1.00 0.00 N ATOM 329 CA GLN A 24 1.540 -5.565 10.183 1.00 0.00 C ATOM 330 C GLN A 24 1.407 -6.757 9.232 1.00 0.00 C ATOM 331 O GLN A 24 1.638 -7.899 9.627 1.00 0.00 O ATOM 332 CB GLN A 24 0.173 -5.137 10.719 1.00 0.00 C ATOM 333 CG GLN A 24 0.322 -4.281 11.979 1.00 0.00 C ATOM 334 CD GLN A 24 0.220 -5.140 13.241 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.841 -5.605 13.622 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.380 -5.323 13.865 1.00 0.00 N ATOM 0 H GLN A 24 1.703 -3.574 9.549 1.00 0.00 H new ATOM 0 HA GLN A 24 2.148 -5.870 11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.362 -4.574 9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.426 -6.019 10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.283 -3.766 11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.451 -3.513 11.994 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.232 -4.905 13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.418 -5.882 14.717 1.00 0.00 H new ATOM 345 N ALA A 25 1.036 -6.450 7.998 1.00 0.00 N ATOM 346 CA ALA A 25 0.870 -7.482 6.988 1.00 0.00 C ATOM 347 C ALA A 25 2.211 -8.180 6.754 1.00 0.00 C ATOM 348 O ALA A 25 2.301 -9.404 6.842 1.00 0.00 O ATOM 349 CB ALA A 25 0.305 -6.859 5.710 1.00 0.00 C ATOM 0 H ALA A 25 0.846 -5.502 7.674 1.00 0.00 H new ATOM 0 HA ALA A 25 0.160 -8.238 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.180 -7.633 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.661 -6.402 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.993 -6.098 5.342 1.00 0.00 H new ATOM 355 N LEU A 26 3.219 -7.373 6.459 1.00 0.00 N ATOM 356 CA LEU A 26 4.551 -7.898 6.211 1.00 0.00 C ATOM 357 C LEU A 26 4.860 -8.995 7.232 1.00 0.00 C ATOM 358 O LEU A 26 5.218 -10.112 6.859 1.00 0.00 O ATOM 359 CB LEU A 26 5.579 -6.765 6.196 1.00 0.00 C ATOM 360 CG LEU A 26 7.005 -7.159 5.804 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.023 -7.876 4.453 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.933 -5.943 5.820 1.00 0.00 C ATOM 0 H LEU A 26 3.140 -6.359 6.386 1.00 0.00 H new ATOM 0 HA LEU A 26 4.602 -8.357 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.233 -5.996 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.607 -6.314 7.188 1.00 0.00 H new ATOM 0 HG LEU A 26 7.382 -7.862 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.048 -8.145 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.415 -8.779 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.619 -7.216 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.940 -6.250 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.569 -5.198 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.952 -5.513 6.821 1.00 0.00 H new ATOM 374 N GLU A 27 4.710 -8.640 8.499 1.00 0.00 N ATOM 375 CA GLU A 27 4.969 -9.581 9.576 1.00 0.00 C ATOM 376 C GLU A 27 4.379 -10.951 9.237 1.00 0.00 C ATOM 377 O GLU A 27 5.026 -11.977 9.439 1.00 0.00 O ATOM 378 CB GLU A 27 4.416 -9.059 10.904 1.00 0.00 C ATOM 379 CG GLU A 27 5.440 -8.169 11.612 1.00 0.00 C ATOM 380 CD GLU A 27 5.581 -8.559 13.084 1.00 0.00 C ATOM 381 OE1 GLU A 27 4.743 -8.082 13.881 1.00 0.00 O ATOM 382 OE2 GLU A 27 6.522 -9.325 13.381 1.00 0.00 O ATOM 0 H GLU A 27 4.412 -7.714 8.805 1.00 0.00 H new ATOM 0 HA GLU A 27 6.048 -9.689 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.501 -8.495 10.724 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.152 -9.898 11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.406 -8.255 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.134 -7.126 11.536 1.00 0.00 H new ATOM 389 N ASP A 28 3.156 -10.923 8.727 1.00 0.00 N ATOM 390 CA ASP A 28 2.472 -12.151 8.357 1.00 0.00 C ATOM 391 C ASP A 28 3.238 -12.836 7.225 1.00 0.00 C ATOM 392 O ASP A 28 3.585 -14.012 7.328 1.00 0.00 O ATOM 393 CB ASP A 28 1.053 -11.862 7.862 1.00 0.00 C ATOM 394 CG ASP A 28 0.144 -11.162 8.873 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.140 -11.794 9.914 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.245 -10.010 8.584 1.00 0.00 O ATOM 0 H ASP A 28 2.622 -10.070 8.561 1.00 0.00 H new ATOM 0 HA ASP A 28 2.424 -12.789 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.116 -11.245 6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.588 -12.803 7.569 1.00 0.00 H new ATOM 401 N CYS A 29 3.480 -12.072 6.170 1.00 0.00 N ATOM 402 CA CYS A 29 4.199 -12.591 5.019 1.00 0.00 C ATOM 403 C CYS A 29 5.547 -13.134 5.499 1.00 0.00 C ATOM 404 O CYS A 29 5.967 -14.214 5.087 1.00 0.00 O ATOM 405 CB CYS A 29 4.367 -11.529 3.931 1.00 0.00 C ATOM 406 SG CYS A 29 2.742 -11.125 3.194 1.00 0.00 S ATOM 0 H CYS A 29 3.191 -11.097 6.088 1.00 0.00 H new ATOM 0 HA CYS A 29 3.625 -13.397 4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.817 -10.631 4.354 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.046 -11.892 3.159 1.00 0.00 H new ATOM 0 HG CYS A 29 2.896 -10.221 2.273 1.00 0.00 H new ATOM 412 N HIS A 30 6.186 -12.361 6.365 1.00 0.00 N ATOM 413 CA HIS A 30 7.476 -12.751 6.906 1.00 0.00 C ATOM 414 C HIS A 30 7.475 -14.251 7.207 1.00 0.00 C ATOM 415 O HIS A 30 8.249 -15.007 6.621 1.00 0.00 O ATOM 416 CB HIS A 30 7.833 -11.902 8.127 1.00 0.00 C ATOM 417 CG HIS A 30 9.111 -11.112 7.975 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.292 -11.676 7.525 1.00 0.00 N ATOM 419 CD2 HIS A 30 9.379 -9.797 8.215 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.223 -10.734 7.502 1.00 0.00 C ATOM 421 NE2 HIS A 30 10.655 -9.570 7.930 1.00 0.00 N ATOM 0 H HIS A 30 5.834 -11.466 6.705 1.00 0.00 H new ATOM 0 HA HIS A 30 8.255 -12.565 6.166 1.00 0.00 H new ATOM 0 HB2 HIS A 30 7.014 -11.212 8.329 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.922 -12.554 8.996 1.00 0.00 H new ATOM 0 HD2 HIS A 30 8.673 -9.064 8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.251 -10.865 7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.132 -8.673 8.017 1.00 0.00 H new ATOM 429 N GLY A 31 6.596 -14.638 8.120 1.00 0.00 N ATOM 430 CA GLY A 31 6.483 -16.034 8.505 1.00 0.00 C ATOM 431 C GLY A 31 5.443 -16.758 7.648 1.00 0.00 C ATOM 432 O GLY A 31 4.570 -17.447 8.174 1.00 0.00 O ATOM 0 H GLY A 31 5.956 -14.009 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.451 -16.523 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.205 -16.103 9.557 1.00 0.00 H new ATOM 436 N HIS A 32 5.569 -16.576 6.342 1.00 0.00 N ATOM 437 CA HIS A 32 4.651 -17.203 5.406 1.00 0.00 C ATOM 438 C HIS A 32 5.252 -17.174 4.000 1.00 0.00 C ATOM 439 O HIS A 32 5.641 -18.212 3.466 1.00 0.00 O ATOM 440 CB HIS A 32 3.272 -16.544 5.475 1.00 0.00 C ATOM 441 CG HIS A 32 2.359 -17.137 6.522 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.862 -18.426 6.440 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.861 -16.604 7.675 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.099 -18.648 7.501 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.099 -17.518 8.264 1.00 0.00 N ATOM 0 H HIS A 32 6.293 -16.003 5.909 1.00 0.00 H new ATOM 0 HA HIS A 32 4.505 -18.248 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.399 -15.481 5.678 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.792 -16.627 4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.054 -15.608 8.046 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.570 -19.563 7.722 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.596 -17.395 9.143 1.00 0.00 H new ATOM 453 N THR A 33 5.308 -15.975 3.439 1.00 0.00 N ATOM 454 CA THR A 33 5.855 -15.797 2.105 1.00 0.00 C ATOM 455 C THR A 33 7.372 -15.999 2.119 1.00 0.00 C ATOM 456 O THR A 33 8.014 -15.832 3.155 1.00 0.00 O ATOM 457 CB THR A 33 5.431 -14.417 1.600 1.00 0.00 C ATOM 458 OG1 THR A 33 4.082 -14.602 1.179 1.00 0.00 O ATOM 459 CG2 THR A 33 6.167 -14.009 0.322 1.00 0.00 C ATOM 0 H THR A 33 4.983 -15.117 3.885 1.00 0.00 H new ATOM 0 HA THR A 33 5.465 -16.545 1.415 1.00 0.00 H new ATOM 0 HB THR A 33 5.614 -13.674 2.377 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.037 -14.567 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.829 -13.022 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.240 -13.981 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.958 -14.733 -0.465 1.00 0.00 H new ATOM 467 N LYS A 34 7.900 -16.356 0.958 1.00 0.00 N ATOM 468 CA LYS A 34 9.329 -16.582 0.823 1.00 0.00 C ATOM 469 C LYS A 34 10.088 -15.431 1.487 1.00 0.00 C ATOM 470 O LYS A 34 9.509 -14.384 1.772 1.00 0.00 O ATOM 471 CB LYS A 34 9.702 -16.798 -0.645 1.00 0.00 C ATOM 472 CG LYS A 34 8.950 -17.995 -1.231 1.00 0.00 C ATOM 473 CD LYS A 34 9.897 -18.910 -2.010 1.00 0.00 C ATOM 474 CE LYS A 34 10.275 -18.289 -3.356 1.00 0.00 C ATOM 475 NZ LYS A 34 9.224 -18.555 -4.363 1.00 0.00 N ATOM 0 H LYS A 34 7.364 -16.494 0.101 1.00 0.00 H new ATOM 0 HA LYS A 34 9.620 -17.497 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.469 -15.901 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.776 -16.961 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.473 -18.558 -0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.156 -17.643 -1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.798 -19.091 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.422 -19.878 -2.172 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.413 -17.214 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.226 -18.698 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.496 -18.127 -5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.112 -19.582 -4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.324 -18.144 -4.042 1.00 0.00 H new ATOM 489 N LYS A 35 11.372 -15.665 1.715 1.00 0.00 N ATOM 490 CA LYS A 35 12.216 -14.661 2.340 1.00 0.00 C ATOM 491 C LYS A 35 12.472 -13.526 1.347 1.00 0.00 C ATOM 492 O LYS A 35 12.160 -12.369 1.627 1.00 0.00 O ATOM 493 CB LYS A 35 13.495 -15.300 2.886 1.00 0.00 C ATOM 494 CG LYS A 35 14.356 -14.267 3.616 1.00 0.00 C ATOM 495 CD LYS A 35 13.828 -14.013 5.029 1.00 0.00 C ATOM 496 CE LYS A 35 14.410 -12.723 5.608 1.00 0.00 C ATOM 497 NZ LYS A 35 14.238 -12.690 7.078 1.00 0.00 N ATOM 0 H LYS A 35 11.848 -16.535 1.478 1.00 0.00 H new ATOM 0 HA LYS A 35 11.712 -14.224 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.238 -16.111 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.064 -15.740 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.387 -14.618 3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.365 -13.333 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.740 -13.948 5.008 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.085 -14.854 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.469 -12.651 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.917 -11.861 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.639 -11.807 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.225 -12.737 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.729 -13.502 7.503 1.00 0.00 H new ATOM 511 N GLN A 36 13.038 -13.895 0.207 1.00 0.00 N ATOM 512 CA GLN A 36 13.339 -12.922 -0.829 1.00 0.00 C ATOM 513 C GLN A 36 12.177 -11.940 -0.988 1.00 0.00 C ATOM 514 O GLN A 36 12.352 -10.734 -0.821 1.00 0.00 O ATOM 515 CB GLN A 36 13.657 -13.615 -2.155 1.00 0.00 C ATOM 516 CG GLN A 36 15.160 -13.589 -2.441 1.00 0.00 C ATOM 517 CD GLN A 36 15.634 -12.169 -2.756 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.307 -11.212 -2.074 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.420 -12.086 -3.825 1.00 0.00 N ATOM 0 H GLN A 36 13.296 -14.855 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 36 14.224 -12.361 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.307 -14.647 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.120 -13.121 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.704 -13.975 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.385 -14.246 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.655 -12.927 -4.352 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.788 -11.181 -4.118 1.00 0.00 H new ATOM 528 N VAL A 37 11.016 -12.492 -1.310 1.00 0.00 N ATOM 529 CA VAL A 37 9.826 -11.680 -1.494 1.00 0.00 C ATOM 530 C VAL A 37 9.680 -10.721 -0.310 1.00 0.00 C ATOM 531 O VAL A 37 9.639 -9.505 -0.492 1.00 0.00 O ATOM 532 CB VAL A 37 8.604 -12.579 -1.689 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.318 -11.751 -1.751 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.756 -13.448 -2.938 1.00 0.00 C ATOM 0 H VAL A 37 10.875 -13.493 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 37 9.913 -11.073 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 37 8.535 -13.241 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.464 -12.414 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.198 -11.195 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.375 -11.053 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.874 -14.077 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.863 -12.809 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.640 -14.078 -2.838 1.00 0.00 H new ATOM 544 N CYS A 38 9.606 -11.305 0.877 1.00 0.00 N ATOM 545 CA CYS A 38 9.466 -10.518 2.091 1.00 0.00 C ATOM 546 C CYS A 38 10.536 -9.425 2.081 1.00 0.00 C ATOM 547 O CYS A 38 10.227 -8.246 2.245 1.00 0.00 O ATOM 548 CB CYS A 38 9.552 -11.391 3.344 1.00 0.00 C ATOM 549 SG CYS A 38 9.285 -10.369 4.838 1.00 0.00 S ATOM 0 H CYS A 38 9.640 -12.314 1.024 1.00 0.00 H new ATOM 0 HA CYS A 38 8.479 -10.057 2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.805 -12.183 3.297 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.527 -11.875 3.394 1.00 0.00 H new ATOM 0 HG CYS A 38 8.059 -10.511 5.247 1.00 0.00 H new ATOM 555 N ASP A 39 11.774 -9.856 1.887 1.00 0.00 N ATOM 556 CA ASP A 39 12.893 -8.929 1.854 1.00 0.00 C ATOM 557 C ASP A 39 12.584 -7.799 0.869 1.00 0.00 C ATOM 558 O ASP A 39 12.881 -6.637 1.140 1.00 0.00 O ATOM 559 CB ASP A 39 14.172 -9.626 1.388 1.00 0.00 C ATOM 560 CG ASP A 39 15.436 -9.241 2.160 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.998 -8.174 1.833 1.00 0.00 O ATOM 562 OD2 ASP A 39 15.812 -10.024 3.059 1.00 0.00 O ATOM 0 H ASP A 39 12.027 -10.835 1.751 1.00 0.00 H new ATOM 0 HA ASP A 39 13.041 -8.542 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.030 -10.704 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.326 -9.402 0.333 1.00 0.00 H new ATOM 567 N ASP A 40 11.993 -8.181 -0.253 1.00 0.00 N ATOM 568 CA ASP A 40 11.641 -7.215 -1.280 1.00 0.00 C ATOM 569 C ASP A 40 10.515 -6.317 -0.764 1.00 0.00 C ATOM 570 O ASP A 40 10.690 -5.106 -0.639 1.00 0.00 O ATOM 571 CB ASP A 40 11.146 -7.914 -2.548 1.00 0.00 C ATOM 572 CG ASP A 40 10.998 -7.006 -3.771 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.264 -5.795 -3.614 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.623 -7.544 -4.834 1.00 0.00 O ATOM 0 H ASP A 40 11.749 -9.146 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 40 12.532 -6.632 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.837 -8.720 -2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.181 -8.375 -2.338 1.00 0.00 H new ATOM 579 N ILE A 41 9.383 -6.945 -0.480 1.00 0.00 N ATOM 580 CA ILE A 41 8.229 -6.218 0.019 1.00 0.00 C ATOM 581 C ILE A 41 8.689 -5.185 1.050 1.00 0.00 C ATOM 582 O ILE A 41 8.347 -4.007 0.949 1.00 0.00 O ATOM 583 CB ILE A 41 7.173 -7.189 0.550 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.606 -8.054 -0.577 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.073 -6.442 1.308 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.807 -9.232 -0.017 1.00 0.00 C ATOM 0 H ILE A 41 9.241 -7.949 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 41 7.746 -5.669 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 41 7.654 -7.861 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.966 -7.448 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.420 -8.426 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.335 -7.155 1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.511 -5.907 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.589 -5.731 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.415 -9.830 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.456 -9.850 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.979 -8.857 0.585 1.00 0.00 H new ATOM 598 N SER A 42 9.456 -5.663 2.018 1.00 0.00 N ATOM 599 CA SER A 42 9.966 -4.796 3.066 1.00 0.00 C ATOM 600 C SER A 42 10.828 -3.689 2.456 1.00 0.00 C ATOM 601 O SER A 42 10.680 -2.519 2.806 1.00 0.00 O ATOM 602 CB SER A 42 10.774 -5.591 4.095 1.00 0.00 C ATOM 603 OG SER A 42 11.815 -6.349 3.485 1.00 0.00 O ATOM 0 H SER A 42 9.737 -6.640 2.099 1.00 0.00 H new ATOM 0 HA SER A 42 9.117 -4.346 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.204 -4.906 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.109 -6.261 4.639 1.00 0.00 H new ATOM 0 HG SER A 42 11.441 -7.171 3.105 1.00 0.00 H new ATOM 609 N ARG A 43 11.709 -4.097 1.555 1.00 0.00 N ATOM 610 CA ARG A 43 12.594 -3.153 0.893 1.00 0.00 C ATOM 611 C ARG A 43 11.794 -1.971 0.343 1.00 0.00 C ATOM 612 O ARG A 43 12.264 -0.834 0.366 1.00 0.00 O ATOM 613 CB ARG A 43 13.354 -3.823 -0.254 1.00 0.00 C ATOM 614 CG ARG A 43 14.804 -4.107 0.142 1.00 0.00 C ATOM 615 CD ARG A 43 15.735 -3.991 -1.067 1.00 0.00 C ATOM 616 NE ARG A 43 16.694 -5.119 -1.077 1.00 0.00 N ATOM 617 CZ ARG A 43 17.660 -5.276 -1.992 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.800 -4.379 -2.978 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.484 -6.330 -1.923 1.00 0.00 N ATOM 0 H ARG A 43 11.829 -5.068 1.268 1.00 0.00 H new ATOM 0 HA ARG A 43 13.312 -2.797 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.859 -4.755 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.333 -3.180 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.118 -3.406 0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.879 -5.107 0.569 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.151 -3.991 -1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 43 16.274 -3.044 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 43 16.614 -5.821 -0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.171 -3.578 -3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.535 -4.498 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.376 -7.013 -1.174 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.219 -6.449 -2.620 1.00 0.00 H new ATOM 633 N ARG A 44 10.598 -2.279 -0.138 1.00 0.00 N ATOM 634 CA ARG A 44 9.728 -1.255 -0.692 1.00 0.00 C ATOM 635 C ARG A 44 9.191 -0.355 0.422 1.00 0.00 C ATOM 636 O ARG A 44 9.204 0.869 0.296 1.00 0.00 O ATOM 637 CB ARG A 44 8.552 -1.881 -1.445 1.00 0.00 C ATOM 638 CG ARG A 44 9.039 -2.925 -2.452 1.00 0.00 C ATOM 639 CD ARG A 44 9.796 -2.263 -3.605 1.00 0.00 C ATOM 640 NE ARG A 44 11.035 -3.019 -3.896 1.00 0.00 N ATOM 641 CZ ARG A 44 12.001 -2.589 -4.719 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.878 -1.407 -5.337 1.00 0.00 N ATOM 643 NH2 ARG A 44 13.091 -3.342 -4.923 1.00 0.00 N ATOM 0 H ARG A 44 10.211 -3.223 -0.156 1.00 0.00 H new ATOM 0 HA ARG A 44 10.317 -0.661 -1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.868 -2.346 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.992 -1.103 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.688 -3.644 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.188 -3.483 -2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.165 -2.227 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.041 -1.233 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 44 11.161 -3.924 -3.442 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.049 -0.834 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.614 -1.080 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.185 -4.242 -4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.827 -3.015 -5.549 1.00 0.00 H new ATOM 657 N LEU A 45 8.732 -0.995 1.487 1.00 0.00 N ATOM 658 CA LEU A 45 8.191 -0.267 2.622 1.00 0.00 C ATOM 659 C LEU A 45 9.145 0.870 2.995 1.00 0.00 C ATOM 660 O LEU A 45 8.739 2.029 3.060 1.00 0.00 O ATOM 661 CB LEU A 45 7.892 -1.223 3.779 1.00 0.00 C ATOM 662 CG LEU A 45 6.985 -2.410 3.450 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.459 -3.068 4.727 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.852 -1.991 2.512 1.00 0.00 C ATOM 0 H LEU A 45 8.724 -2.010 1.588 1.00 0.00 H new ATOM 0 HA LEU A 45 7.236 0.190 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.838 -1.608 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.432 -0.653 4.586 1.00 0.00 H new ATOM 0 HG LEU A 45 7.578 -3.158 2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.817 -3.909 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.298 -3.424 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.887 -2.340 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.222 -2.854 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.253 -1.215 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.272 -1.605 1.583 1.00 0.00 H new ATOM 676 N ALA A 46 10.395 0.498 3.229 1.00 0.00 N ATOM 677 CA ALA A 46 11.410 1.472 3.593 1.00 0.00 C ATOM 678 C ALA A 46 11.342 2.657 2.629 1.00 0.00 C ATOM 679 O ALA A 46 11.753 3.765 2.971 1.00 0.00 O ATOM 680 CB ALA A 46 12.785 0.800 3.596 1.00 0.00 C ATOM 0 H ALA A 46 10.728 -0.465 3.174 1.00 0.00 H new ATOM 0 HA ALA A 46 11.232 1.854 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.546 1.531 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.790 -0.016 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.000 0.406 2.603 1.00 0.00 H new ATOM 686 N LEU A 47 10.821 2.384 1.442 1.00 0.00 N ATOM 687 CA LEU A 47 10.694 3.415 0.425 1.00 0.00 C ATOM 688 C LEU A 47 9.384 4.176 0.637 1.00 0.00 C ATOM 689 O LEU A 47 9.395 5.385 0.862 1.00 0.00 O ATOM 690 CB LEU A 47 10.834 2.808 -0.973 1.00 0.00 C ATOM 691 CG LEU A 47 11.530 3.684 -2.017 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.807 2.894 -3.298 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.725 4.956 -2.291 1.00 0.00 C ATOM 0 H LEU A 47 10.482 1.464 1.161 1.00 0.00 H new ATOM 0 HA LEU A 47 11.502 4.141 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.385 1.872 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.839 2.560 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 47 12.494 3.994 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.302 3.539 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.451 2.044 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.866 2.535 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.242 5.560 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.736 4.688 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.622 5.527 -1.368 1.00 0.00 H new ATOM 705 N LEU A 48 8.288 3.437 0.558 1.00 0.00 N ATOM 706 CA LEU A 48 6.973 4.027 0.738 1.00 0.00 C ATOM 707 C LEU A 48 7.008 4.988 1.928 1.00 0.00 C ATOM 708 O LEU A 48 6.333 6.016 1.921 1.00 0.00 O ATOM 709 CB LEU A 48 5.907 2.936 0.860 1.00 0.00 C ATOM 710 CG LEU A 48 4.611 3.340 1.565 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.849 4.388 0.752 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.748 2.114 1.871 1.00 0.00 C ATOM 0 H LEU A 48 8.284 2.434 0.372 1.00 0.00 H new ATOM 0 HA LEU A 48 6.696 4.613 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.658 2.585 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.340 2.091 1.395 1.00 0.00 H new ATOM 0 HG LEU A 48 4.870 3.798 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.932 4.658 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.470 5.275 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.601 3.979 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.833 2.429 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.496 1.605 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.300 1.433 2.519 1.00 0.00 H new ATOM 724 N ARG A 49 7.803 4.619 2.922 1.00 0.00 N ATOM 725 CA ARG A 49 7.935 5.435 4.117 1.00 0.00 C ATOM 726 C ARG A 49 8.769 6.682 3.818 1.00 0.00 C ATOM 727 O ARG A 49 8.446 7.775 4.281 1.00 0.00 O ATOM 728 CB ARG A 49 8.597 4.648 5.251 1.00 0.00 C ATOM 729 CG ARG A 49 8.951 5.567 6.421 1.00 0.00 C ATOM 730 CD ARG A 49 9.148 4.764 7.709 1.00 0.00 C ATOM 731 NE ARG A 49 9.534 5.668 8.815 1.00 0.00 N ATOM 732 CZ ARG A 49 10.765 6.170 8.981 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.737 5.860 8.113 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.024 6.983 10.014 1.00 0.00 N ATOM 0 H ARG A 49 8.362 3.766 2.924 1.00 0.00 H new ATOM 0 HA ARG A 49 6.933 5.729 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.925 3.861 5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.499 4.160 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.861 6.121 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.158 6.302 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.228 4.237 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.918 4.007 7.561 1.00 0.00 H new ATOM 0 HE ARG A 49 8.818 5.925 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.540 5.242 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.674 6.242 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.284 7.220 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.961 7.365 10.140 1.00 0.00 H new ATOM 748 N GLU A 50 9.825 6.478 3.044 1.00 0.00 N ATOM 749 CA GLU A 50 10.707 7.573 2.678 1.00 0.00 C ATOM 750 C GLU A 50 9.984 8.548 1.746 1.00 0.00 C ATOM 751 O GLU A 50 10.123 9.762 1.884 1.00 0.00 O ATOM 752 CB GLU A 50 11.992 7.050 2.033 1.00 0.00 C ATOM 753 CG GLU A 50 11.909 7.121 0.507 1.00 0.00 C ATOM 754 CD GLU A 50 13.177 6.560 -0.139 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.571 5.443 0.262 1.00 0.00 O ATOM 756 OE2 GLU A 50 13.724 7.260 -1.018 1.00 0.00 O ATOM 0 H GLU A 50 10.090 5.571 2.660 1.00 0.00 H new ATOM 0 HA GLU A 50 10.986 8.107 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.842 7.636 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.166 6.020 2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.041 6.560 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.765 8.155 0.195 1.00 0.00 H new ATOM 763 N GLN A 51 9.228 7.980 0.818 1.00 0.00 N ATOM 764 CA GLN A 51 8.483 8.784 -0.136 1.00 0.00 C ATOM 765 C GLN A 51 7.314 9.485 0.560 1.00 0.00 C ATOM 766 O GLN A 51 7.010 10.638 0.258 1.00 0.00 O ATOM 767 CB GLN A 51 7.992 7.930 -1.306 1.00 0.00 C ATOM 768 CG GLN A 51 9.056 7.837 -2.402 1.00 0.00 C ATOM 769 CD GLN A 51 8.527 7.071 -3.616 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.409 6.583 -3.636 1.00 0.00 O ATOM 771 NE2 GLN A 51 9.391 6.992 -4.624 1.00 0.00 N ATOM 0 H GLN A 51 9.115 6.972 0.706 1.00 0.00 H new ATOM 0 HA GLN A 51 9.150 9.546 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.742 6.930 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.079 8.360 -1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.360 8.839 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.943 7.339 -2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.312 7.423 -4.542 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.133 6.500 -5.480 1.00 0.00 H new ATOM 780 N TRP A 52 6.692 8.760 1.478 1.00 0.00 N ATOM 781 CA TRP A 52 5.564 9.299 2.218 1.00 0.00 C ATOM 782 C TRP A 52 6.076 10.444 3.094 1.00 0.00 C ATOM 783 O TRP A 52 5.605 11.575 2.981 1.00 0.00 O ATOM 784 CB TRP A 52 4.861 8.202 3.020 1.00 0.00 C ATOM 785 CG TRP A 52 3.553 8.651 3.675 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.359 9.685 4.505 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.258 8.034 3.521 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.039 9.780 4.895 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.348 8.744 4.278 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.867 6.914 2.767 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.010 8.412 4.354 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.507 6.595 2.854 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.422 7.299 3.611 1.00 0.00 C ATOM 0 H TRP A 52 6.948 7.804 1.726 1.00 0.00 H new ATOM 0 HA TRP A 52 4.809 9.692 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.654 7.359 2.360 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.538 7.842 3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.138 10.359 4.828 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.643 10.481 5.521 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.562 6.344 2.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.703 8.984 4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.155 5.742 2.293 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.456 6.989 3.626 1.00 0.00 H new ATOM 804 N ALA A 53 7.034 10.112 3.946 1.00 0.00 N ATOM 805 CA ALA A 53 7.616 11.098 4.840 1.00 0.00 C ATOM 806 C ALA A 53 8.350 12.158 4.016 1.00 0.00 C ATOM 807 O ALA A 53 8.036 13.344 4.102 1.00 0.00 O ATOM 808 CB ALA A 53 8.535 10.399 5.844 1.00 0.00 C ATOM 0 H ALA A 53 7.422 9.173 4.036 1.00 0.00 H new ATOM 0 HA ALA A 53 6.838 11.605 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.971 11.139 6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.959 9.679 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.331 9.880 5.309 1.00 0.00 H new ATOM 814 N GLY A 54 9.314 11.691 3.235 1.00 0.00 N ATOM 815 CA GLY A 54 10.095 12.583 2.396 1.00 0.00 C ATOM 816 C GLY A 54 9.226 13.711 1.836 1.00 0.00 C ATOM 817 O GLY A 54 9.704 14.825 1.631 1.00 0.00 O ATOM 0 H GLY A 54 9.571 10.706 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.917 13.005 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.539 12.020 1.575 1.00 0.00 H new ATOM 821 N GLY A 55 7.963 13.382 1.605 1.00 0.00 N ATOM 822 CA GLY A 55 7.022 14.353 1.073 1.00 0.00 C ATOM 823 C GLY A 55 6.977 14.292 -0.455 1.00 0.00 C ATOM 824 O GLY A 55 6.559 15.249 -1.106 1.00 0.00 O ATOM 0 H GLY A 55 7.570 12.457 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.028 14.161 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.308 15.355 1.392 1.00 0.00 H new ATOM 828 N LYS A 56 7.411 13.157 -0.983 1.00 0.00 N ATOM 829 CA LYS A 56 7.425 12.959 -2.422 1.00 0.00 C ATOM 830 C LYS A 56 6.071 12.403 -2.869 1.00 0.00 C ATOM 831 O LYS A 56 5.792 12.326 -4.065 1.00 0.00 O ATOM 832 CB LYS A 56 8.613 12.086 -2.831 1.00 0.00 C ATOM 833 CG LYS A 56 9.926 12.866 -2.736 1.00 0.00 C ATOM 834 CD LYS A 56 10.425 13.272 -4.124 1.00 0.00 C ATOM 835 CE LYS A 56 10.321 14.785 -4.323 1.00 0.00 C ATOM 836 NZ LYS A 56 9.113 15.122 -5.110 1.00 0.00 N ATOM 0 H LYS A 56 7.755 12.365 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 56 7.565 13.910 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.661 11.207 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.472 11.728 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.781 13.756 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.680 12.256 -2.239 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.461 12.956 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.841 12.760 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.282 15.283 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.210 15.152 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.807 16.089 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.332 15.061 -6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.351 14.453 -4.880 1.00 0.00 H new ATOM 850 N LEU A 57 5.266 12.032 -1.885 1.00 0.00 N ATOM 851 CA LEU A 57 3.948 11.486 -2.162 1.00 0.00 C ATOM 852 C LEU A 57 2.933 12.629 -2.238 1.00 0.00 C ATOM 853 O LEU A 57 3.129 13.679 -1.629 1.00 0.00 O ATOM 854 CB LEU A 57 3.587 10.411 -1.135 1.00 0.00 C ATOM 855 CG LEU A 57 4.378 9.104 -1.227 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.674 7.983 -0.460 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.641 8.723 -2.685 1.00 0.00 C ATOM 0 H LEU A 57 5.501 12.099 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 57 3.939 10.985 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.727 10.828 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.527 10.179 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 57 5.348 9.258 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.256 7.065 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.582 8.263 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.682 7.821 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.205 7.791 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.691 8.594 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.215 9.513 -3.170 1.00 0.00 H new ATOM 869 N SER A 58 1.871 12.385 -2.991 1.00 0.00 N ATOM 870 CA SER A 58 0.825 13.380 -3.155 1.00 0.00 C ATOM 871 C SER A 58 -0.244 13.199 -2.076 1.00 0.00 C ATOM 872 O SER A 58 -0.391 12.111 -1.519 1.00 0.00 O ATOM 873 CB SER A 58 0.195 13.294 -4.546 1.00 0.00 C ATOM 874 OG SER A 58 -0.799 12.276 -4.619 1.00 0.00 O ATOM 0 H SER A 58 1.712 11.512 -3.495 1.00 0.00 H new ATOM 0 HA SER A 58 1.274 14.368 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.251 14.255 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.972 13.096 -5.284 1.00 0.00 H new ATOM 0 HG SER A 58 -1.454 12.508 -5.310 1.00 0.00 H new ATOM 880 N ILE A 59 -0.963 14.280 -1.812 1.00 0.00 N ATOM 881 CA ILE A 59 -2.015 14.253 -0.810 1.00 0.00 C ATOM 882 C ILE A 59 -3.051 13.195 -1.192 1.00 0.00 C ATOM 883 O ILE A 59 -3.480 12.408 -0.350 1.00 0.00 O ATOM 884 CB ILE A 59 -2.605 15.651 -0.615 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.683 16.522 0.240 1.00 0.00 C ATOM 886 CG2 ILE A 59 -4.019 15.573 -0.036 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.632 17.955 -0.293 1.00 0.00 C ATOM 0 H ILE A 59 -0.838 15.180 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.610 13.966 0.160 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.682 16.128 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.035 16.526 1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.679 16.097 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.415 16.580 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.661 15.015 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.989 15.068 0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.970 18.553 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.257 17.949 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.633 18.385 -0.276 1.00 0.00 H new ATOM 899 N PRO A 60 -3.434 13.211 -2.497 1.00 0.00 N ATOM 900 CA PRO A 60 -4.413 12.262 -3.002 1.00 0.00 C ATOM 901 C PRO A 60 -3.796 10.872 -3.164 1.00 0.00 C ATOM 902 O PRO A 60 -4.489 9.918 -3.515 1.00 0.00 O ATOM 903 CB PRO A 60 -4.894 12.856 -4.316 1.00 0.00 C ATOM 904 CG PRO A 60 -3.839 13.870 -4.726 1.00 0.00 C ATOM 905 CD PRO A 60 -2.948 14.129 -3.523 1.00 0.00 C ATOM 0 HA PRO A 60 -5.248 12.114 -2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.008 12.083 -5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.867 13.332 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.251 13.492 -5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.308 14.795 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.900 13.941 -3.758 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.020 15.165 -3.193 1.00 0.00 H new ATOM 913 N VAL A 61 -2.499 10.800 -2.900 1.00 0.00 N ATOM 914 CA VAL A 61 -1.781 9.542 -3.012 1.00 0.00 C ATOM 915 C VAL A 61 -1.809 8.822 -1.663 1.00 0.00 C ATOM 916 O VAL A 61 -1.707 7.597 -1.607 1.00 0.00 O ATOM 917 CB VAL A 61 -0.362 9.794 -3.525 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.624 8.786 -2.930 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.319 9.765 -5.054 1.00 0.00 C ATOM 0 H VAL A 61 -1.927 11.593 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.265 8.890 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.060 10.790 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.625 8.988 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.625 8.875 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.326 7.776 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.701 9.947 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.651 8.789 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.977 10.538 -5.451 1.00 0.00 H new ATOM 929 N LYS A 62 -1.949 9.612 -0.608 1.00 0.00 N ATOM 930 CA LYS A 62 -1.993 9.065 0.737 1.00 0.00 C ATOM 931 C LYS A 62 -3.436 8.697 1.087 1.00 0.00 C ATOM 932 O LYS A 62 -3.684 7.664 1.707 1.00 0.00 O ATOM 933 CB LYS A 62 -1.346 10.032 1.730 1.00 0.00 C ATOM 934 CG LYS A 62 -0.036 10.594 1.175 1.00 0.00 C ATOM 935 CD LYS A 62 0.311 11.930 1.834 1.00 0.00 C ATOM 936 CE LYS A 62 1.501 12.593 1.138 1.00 0.00 C ATOM 937 NZ LYS A 62 1.158 13.973 0.726 1.00 0.00 N ATOM 0 H LYS A 62 -2.033 10.627 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.408 8.147 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.033 10.850 1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.155 9.518 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.771 9.881 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.122 10.728 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.553 12.594 1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.544 11.770 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.359 12.610 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.791 12.008 0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.428 14.116 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.134 14.123 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.671 14.652 1.325 1.00 0.00 H new ATOM 951 N LYS A 63 -4.350 9.562 0.675 1.00 0.00 N ATOM 952 CA LYS A 63 -5.762 9.342 0.937 1.00 0.00 C ATOM 953 C LYS A 63 -6.215 8.064 0.226 1.00 0.00 C ATOM 954 O LYS A 63 -7.013 7.299 0.765 1.00 0.00 O ATOM 955 CB LYS A 63 -6.578 10.579 0.556 1.00 0.00 C ATOM 956 CG LYS A 63 -6.864 11.446 1.784 1.00 0.00 C ATOM 957 CD LYS A 63 -5.978 12.693 1.793 1.00 0.00 C ATOM 958 CE LYS A 63 -4.579 12.368 2.322 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.663 11.753 3.665 1.00 0.00 N ATOM 0 H LYS A 63 -4.140 10.418 0.161 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.932 9.193 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.035 11.163 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.517 10.272 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.913 11.741 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.692 10.866 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.904 13.098 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.435 13.464 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.073 11.689 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.981 13.278 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.747 11.847 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.399 12.234 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.903 10.745 3.571 1.00 0.00 H new ATOM 973 N ARG A 64 -5.685 7.873 -0.973 1.00 0.00 N ATOM 974 CA ARG A 64 -6.025 6.702 -1.763 1.00 0.00 C ATOM 975 C ARG A 64 -5.327 5.462 -1.201 1.00 0.00 C ATOM 976 O ARG A 64 -5.818 4.345 -1.356 1.00 0.00 O ATOM 977 CB ARG A 64 -5.619 6.888 -3.227 1.00 0.00 C ATOM 978 CG ARG A 64 -6.849 6.931 -4.136 1.00 0.00 C ATOM 979 CD ARG A 64 -6.588 7.795 -5.371 1.00 0.00 C ATOM 980 NE ARG A 64 -7.822 7.908 -6.180 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.055 8.890 -7.062 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.140 9.849 -7.254 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.204 8.912 -7.752 1.00 0.00 N ATOM 0 H ARG A 64 -5.023 8.509 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.106 6.570 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.050 7.811 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.965 6.072 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.113 5.920 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.700 7.328 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.251 8.786 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.790 7.356 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.540 7.194 -6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.266 9.832 -6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.317 10.596 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.901 8.182 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.382 9.659 -8.423 1.00 0.00 H new ATOM 997 N MET A 65 -4.192 5.701 -0.560 1.00 0.00 N ATOM 998 CA MET A 65 -3.421 4.617 0.026 1.00 0.00 C ATOM 999 C MET A 65 -4.135 4.036 1.248 1.00 0.00 C ATOM 1000 O MET A 65 -4.384 2.833 1.312 1.00 0.00 O ATOM 1001 CB MET A 65 -2.042 5.136 0.438 1.00 0.00 C ATOM 1002 CG MET A 65 -0.938 4.478 -0.392 1.00 0.00 C ATOM 1003 SD MET A 65 0.243 3.683 0.685 1.00 0.00 S ATOM 1004 CE MET A 65 -0.568 2.111 0.928 1.00 0.00 C ATOM 0 H MET A 65 -3.788 6.629 -0.434 1.00 0.00 H new ATOM 0 HA MET A 65 -3.314 3.828 -0.718 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.003 6.218 0.309 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.875 4.935 1.496 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.371 3.746 -1.074 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.437 5.227 -1.005 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.756 1.959 1.991 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.514 2.102 0.387 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.071 1.311 0.555 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.443 4.917 2.188 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.123 4.506 3.405 1.00 0.00 C ATOM 1016 C ALA A 66 -6.362 3.685 3.040 1.00 0.00 C ATOM 1017 O ALA A 66 -6.675 2.698 3.703 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.467 5.741 4.240 1.00 0.00 C ATOM 0 H ALA A 66 -4.234 5.914 2.132 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.475 3.873 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.977 5.433 5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.551 6.272 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.118 6.399 3.665 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.033 4.124 1.985 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.231 3.443 1.524 1.00 0.00 C ATOM 1026 C LEU A 67 -7.922 1.958 1.322 1.00 0.00 C ATOM 1027 O LEU A 67 -8.460 1.107 2.028 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.791 4.130 0.277 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.560 5.431 0.516 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.071 6.016 -0.802 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.689 5.223 1.527 1.00 0.00 C ATOM 0 H LEU A 67 -6.770 4.943 1.436 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.018 3.506 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.963 4.340 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.452 3.429 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.873 6.160 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.614 6.940 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.227 6.225 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.737 5.300 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.219 6.163 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.382 4.472 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.271 4.885 2.475 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.056 1.693 0.354 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.669 0.326 0.050 1.00 0.00 C ATOM 1045 C LEU A 68 -6.330 -0.405 1.351 1.00 0.00 C ATOM 1046 O LEU A 68 -6.698 -1.565 1.529 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.537 0.306 -0.979 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.427 -0.718 -0.734 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.509 -0.833 -1.953 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.648 -0.388 0.540 1.00 0.00 C ATOM 0 H LEU A 68 -6.612 2.402 -0.230 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.498 -0.211 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.969 0.116 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.087 1.298 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.889 -1.694 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.729 -1.567 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.091 -1.149 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.052 0.135 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.865 -1.131 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.197 0.600 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.326 -0.397 1.394 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.634 0.304 2.227 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.242 -0.262 3.506 1.00 0.00 C ATOM 1064 C VAL A 69 -6.496 -0.615 4.309 1.00 0.00 C ATOM 1065 O VAL A 69 -6.742 -1.785 4.599 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.312 0.704 4.244 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.108 0.267 5.696 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.972 0.837 3.517 1.00 0.00 C ATOM 0 H VAL A 69 -5.331 1.266 2.076 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.680 -1.184 3.359 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.787 1.685 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.443 0.970 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.070 0.248 6.209 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.665 -0.729 5.717 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.330 1.529 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.490 -0.139 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.141 1.216 2.509 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.255 0.418 4.644 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.477 0.231 5.407 1.00 0.00 C ATOM 1080 C GLN A 70 -9.197 -1.041 4.955 1.00 0.00 C ATOM 1081 O GLN A 70 -9.727 -1.784 5.779 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.392 1.452 5.285 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.803 2.655 6.024 1.00 0.00 C ATOM 1084 CD GLN A 70 -8.425 2.284 7.460 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.255 1.909 8.271 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -7.128 2.410 7.727 1.00 0.00 N ATOM 0 H GLN A 70 -7.047 1.387 4.401 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.212 0.120 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.534 1.701 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.375 1.216 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.922 3.016 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.526 3.470 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.487 2.729 7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.775 2.187 8.658 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.191 -1.252 3.647 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.837 -2.422 3.075 1.00 0.00 C ATOM 1097 C GLU A 71 -9.095 -3.694 3.490 1.00 0.00 C ATOM 1098 O GLU A 71 -9.700 -4.627 4.014 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.924 -2.310 1.552 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.557 -0.981 1.135 1.00 0.00 C ATOM 1101 CD GLU A 71 -12.084 -1.074 1.146 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.603 -1.801 2.020 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.699 -0.415 0.279 1.00 0.00 O ATOM 0 H GLU A 71 -8.749 -0.633 2.967 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.855 -2.476 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.927 -2.393 1.120 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.513 -3.137 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.232 -0.191 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.213 -0.707 0.138 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.794 -3.690 3.240 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.962 -4.832 3.580 1.00 0.00 C ATOM 1112 C LEU A 72 -7.188 -5.202 5.048 1.00 0.00 C ATOM 1113 O LEU A 72 -7.092 -6.371 5.419 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.498 -4.551 3.236 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.604 -5.779 3.057 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.699 -5.626 1.833 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.802 -6.063 4.329 1.00 0.00 C ATOM 0 H LEU A 72 -7.295 -2.914 2.806 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.244 -5.700 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.467 -3.967 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.073 -3.929 4.024 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.244 -6.643 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.074 -6.513 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.312 -5.508 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.065 -4.748 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.175 -6.941 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.173 -5.204 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.486 -6.247 5.157 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.485 -4.184 5.842 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.726 -4.388 7.261 1.00 0.00 C ATOM 1131 C LEU A 73 -8.992 -5.228 7.443 1.00 0.00 C ATOM 1132 O LEU A 73 -8.995 -6.195 8.204 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.767 -3.047 7.995 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.429 -2.318 8.136 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.616 -0.950 8.796 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.411 -3.181 8.885 1.00 0.00 C ATOM 0 H LEU A 73 -7.564 -3.216 5.530 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.905 -4.946 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.462 -2.390 7.472 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.174 -3.214 8.992 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.030 -2.142 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.650 -0.453 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.283 -0.340 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.048 -1.081 9.788 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.469 -2.640 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.791 -3.410 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.247 -4.109 8.337 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.036 -4.828 6.733 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.305 -5.532 6.808 1.00 0.00 C ATOM 1150 C HIS A 74 -11.222 -6.827 5.997 1.00 0.00 C ATOM 1151 O HIS A 74 -12.181 -7.596 5.949 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.456 -4.626 6.363 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.987 -3.728 7.454 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.336 -3.465 7.618 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.337 -3.036 8.434 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.480 -2.649 8.652 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.240 -2.384 9.156 1.00 0.00 N ATOM 0 H HIS A 74 -10.030 -4.026 6.103 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.513 -5.805 7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.118 -4.009 5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.270 -5.247 5.989 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.269 -3.021 8.595 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.415 -2.262 9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.040 -1.784 9.956 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.068 -7.027 5.378 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.847 -8.215 4.572 1.00 0.00 C ATOM 1167 C HIS A 75 -10.294 -7.949 3.133 1.00 0.00 C ATOM 1168 O HIS A 75 -10.072 -8.773 2.247 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.540 -9.430 5.193 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.465 -9.475 6.700 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.523 -9.888 7.491 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.449 -9.156 7.552 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.149 -9.816 8.760 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.863 -9.362 8.796 1.00 0.00 N ATOM 0 H HIS A 75 -9.276 -6.386 5.419 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.783 -8.450 4.548 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.587 -9.432 4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.091 -10.337 4.790 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.472 -8.796 7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.756 -10.072 9.616 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.311 -9.207 9.640 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.916 -6.794 2.944 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.396 -6.409 1.628 1.00 0.00 C ATOM 1184 C GLN A 76 -10.227 -6.296 0.649 1.00 0.00 C ATOM 1185 O GLN A 76 -9.716 -5.202 0.410 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.185 -5.100 1.694 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.545 -5.312 2.362 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.607 -5.704 1.333 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.357 -5.775 0.141 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.803 -5.953 1.858 1.00 0.00 N ATOM 0 H GLN A 76 -11.098 -6.113 3.681 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.072 -7.185 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.615 -4.355 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.328 -4.706 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.464 -6.090 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.849 -4.399 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.944 -5.875 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.579 -6.222 1.254 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.836 -7.441 0.108 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.736 -7.483 -0.840 1.00 0.00 C ATOM 1201 C TRP A 77 -9.260 -6.999 -2.194 1.00 0.00 C ATOM 1202 O TRP A 77 -8.516 -6.409 -2.976 1.00 0.00 O ATOM 1203 CB TRP A 77 -8.122 -8.883 -0.904 1.00 0.00 C ATOM 1204 CG TRP A 77 -8.356 -9.723 0.353 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -9.305 -10.646 0.564 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.585 -9.681 1.572 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -9.203 -11.198 1.824 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -8.123 -10.593 2.457 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.469 -8.898 1.916 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.612 -10.808 3.742 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.970 -9.124 3.204 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.500 -10.039 4.106 1.00 0.00 C ATOM 0 H TRP A 77 -10.261 -8.346 0.308 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.928 -6.824 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.535 -9.411 -1.763 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.049 -8.791 -1.072 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.055 -10.923 -0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.809 -11.918 2.219 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.031 -8.179 1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -8.052 -11.528 4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.113 -8.547 3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.056 -10.156 5.083 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.536 -7.266 -2.429 1.00 0.00 N ATOM 1224 CA ASP A 78 -11.168 -6.864 -3.674 1.00 0.00 C ATOM 1225 C ASP A 78 -11.141 -5.338 -3.786 1.00 0.00 C ATOM 1226 O ASP A 78 -10.985 -4.795 -4.878 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.629 -7.316 -3.722 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.872 -8.640 -4.449 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.110 -9.590 -4.169 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.816 -8.672 -5.268 1.00 0.00 O ATOM 0 H ASP A 78 -11.150 -7.756 -1.778 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.620 -7.328 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.000 -7.406 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.219 -6.538 -4.208 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.296 -4.690 -2.640 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.291 -3.238 -2.596 1.00 0.00 C ATOM 1237 C ALA A 79 -9.851 -2.733 -2.698 1.00 0.00 C ATOM 1238 O ALA A 79 -9.554 -1.851 -3.502 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.985 -2.764 -1.317 1.00 0.00 C ATOM 0 H ALA A 79 -11.426 -5.144 -1.736 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.845 -2.827 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.981 -1.675 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.014 -3.124 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.455 -3.155 -0.449 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.993 -3.315 -1.872 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.591 -2.935 -1.860 1.00 0.00 C ATOM 1247 C ALA A 80 -7.091 -2.801 -3.300 1.00 0.00 C ATOM 1248 O ALA A 80 -6.523 -1.775 -3.670 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.790 -3.963 -1.058 1.00 0.00 C ATOM 0 H ALA A 80 -9.242 -4.047 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.460 -1.968 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.738 -3.678 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.165 -3.999 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.896 -4.946 -1.518 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.320 -3.852 -4.072 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.900 -3.865 -5.463 1.00 0.00 C ATOM 1257 C ASP A 81 -7.608 -2.737 -6.216 1.00 0.00 C ATOM 1258 O ASP A 81 -6.962 -1.923 -6.874 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.269 -5.188 -6.138 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.704 -5.374 -7.548 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -7.280 -4.765 -8.475 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -5.709 -6.121 -7.666 1.00 0.00 O ATOM 0 H ASP A 81 -7.791 -4.701 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.818 -3.736 -5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.919 -6.008 -5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.355 -5.264 -6.185 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.928 -2.724 -6.093 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.731 -1.709 -6.754 1.00 0.00 C ATOM 1269 C ASP A 82 -9.053 -0.346 -6.596 1.00 0.00 C ATOM 1270 O ASP A 82 -8.882 0.383 -7.572 1.00 0.00 O ATOM 1271 CB ASP A 82 -11.125 -1.618 -6.131 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.260 -1.356 -7.122 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.064 -0.478 -7.990 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.299 -2.038 -6.989 1.00 0.00 O ATOM 0 H ASP A 82 -9.461 -3.400 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.823 -1.983 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.332 -2.549 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.122 -0.822 -5.386 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.685 -0.043 -5.359 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.030 1.219 -5.061 1.00 0.00 C ATOM 1281 C ILE A 83 -6.614 1.203 -5.641 1.00 0.00 C ATOM 1282 O ILE A 83 -6.243 2.091 -6.407 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.077 1.505 -3.559 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.521 1.617 -3.067 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.255 2.748 -3.212 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.646 1.138 -1.619 1.00 0.00 C ATOM 0 H ILE A 83 -8.828 -0.650 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.560 2.045 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.624 0.663 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.855 2.652 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.174 1.024 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.305 2.929 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.217 2.591 -3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.657 3.610 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.683 1.228 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.334 0.096 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.010 1.748 -0.978 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.862 0.184 -5.253 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.495 0.040 -5.724 1.00 0.00 C ATOM 1300 C HIS A 84 -4.437 0.328 -7.225 1.00 0.00 C ATOM 1301 O HIS A 84 -3.523 1.004 -7.697 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.937 -1.338 -5.362 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.960 -1.889 -6.373 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -3.073 -3.160 -6.909 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -1.852 -1.329 -6.939 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.072 -3.346 -7.758 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.317 -2.210 -7.774 1.00 0.00 N ATOM 0 H HIS A 84 -6.174 -0.550 -4.617 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.856 0.768 -5.225 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.444 -1.276 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.766 -2.038 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.475 -0.337 -6.741 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.887 -4.240 -8.335 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.479 -2.062 -8.336 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.424 -0.198 -7.935 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.497 -0.006 -9.373 1.00 0.00 C ATOM 1317 C ARG A 85 -5.737 1.469 -9.700 1.00 0.00 C ATOM 1318 O ARG A 85 -5.076 2.031 -10.571 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.620 -0.847 -9.985 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.224 -2.323 -10.053 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.231 -2.574 -11.189 1.00 0.00 C ATOM 1322 NE ARG A 85 -4.244 -3.599 -10.782 1.00 0.00 N ATOM 1323 CZ ARG A 85 -3.299 -4.095 -11.592 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -3.206 -3.663 -12.857 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -2.446 -5.023 -11.137 1.00 0.00 N ATOM 0 H ARG A 85 -6.180 -0.757 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.546 -0.326 -9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.527 -0.737 -9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.849 -0.482 -10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.782 -2.628 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.114 -2.935 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.763 -2.904 -12.082 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.719 -1.647 -11.447 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.286 -3.950 -9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.855 -2.956 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.486 -4.041 -13.473 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.516 -5.352 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.727 -5.401 -11.754 1.00 0.00 H new ATOM 1339 N SER A 86 -6.687 2.054 -8.985 1.00 0.00 N ATOM 1340 CA SER A 86 -7.023 3.452 -9.188 1.00 0.00 C ATOM 1341 C SER A 86 -5.770 4.318 -9.040 1.00 0.00 C ATOM 1342 O SER A 86 -5.675 5.386 -9.643 1.00 0.00 O ATOM 1343 CB SER A 86 -8.102 3.908 -8.204 1.00 0.00 C ATOM 1344 OG SER A 86 -9.288 3.126 -8.313 1.00 0.00 O ATOM 0 H SER A 86 -7.235 1.584 -8.264 1.00 0.00 H new ATOM 0 HA SER A 86 -7.419 3.565 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.716 3.842 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.340 4.956 -8.387 1.00 0.00 H new ATOM 0 HG SER A 86 -9.099 2.205 -8.036 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.841 3.826 -8.235 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.598 4.541 -8.000 1.00 0.00 C ATOM 1352 C LEU A 87 -2.662 4.333 -9.192 1.00 0.00 C ATOM 1353 O LEU A 87 -2.016 5.274 -9.651 1.00 0.00 O ATOM 1354 CB LEU A 87 -2.987 4.129 -6.659 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.347 5.009 -5.460 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -2.861 4.380 -4.153 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.814 6.431 -5.644 1.00 0.00 C ATOM 0 H LEU A 87 -4.924 2.940 -7.737 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.784 5.612 -7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.296 3.107 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.902 4.119 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.433 5.077 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.130 5.025 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.329 3.404 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.778 4.262 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.084 7.036 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.729 6.403 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.249 6.869 -6.542 1.00 0.00 H new ATOM 1369 N MET A 88 -2.618 3.094 -9.660 1.00 0.00 N ATOM 1370 CA MET A 88 -1.772 2.750 -10.790 1.00 0.00 C ATOM 1371 C MET A 88 -2.281 3.404 -12.076 1.00 0.00 C ATOM 1372 O MET A 88 -1.613 3.356 -13.107 1.00 0.00 O ATOM 1373 CB MET A 88 -1.747 1.230 -10.965 1.00 0.00 C ATOM 1374 CG MET A 88 -1.059 0.552 -9.778 1.00 0.00 C ATOM 1375 SD MET A 88 0.610 1.161 -9.611 1.00 0.00 S ATOM 1376 CE MET A 88 1.382 0.335 -10.993 1.00 0.00 C ATOM 0 H MET A 88 -3.155 2.316 -9.277 1.00 0.00 H new ATOM 0 HA MET A 88 -0.766 3.119 -10.592 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.766 0.855 -11.062 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.224 0.975 -11.887 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.619 0.746 -8.863 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.048 -0.528 -9.922 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.338 0.810 -11.212 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.546 -0.714 -10.745 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.734 0.404 -11.867 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.459 4.000 -11.972 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.066 4.663 -13.114 1.00 0.00 C ATOM 1388 C VAL A 89 -3.418 6.036 -13.304 1.00 0.00 C ATOM 1389 O VAL A 89 -2.834 6.312 -14.351 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.583 4.738 -12.930 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.224 5.609 -14.013 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.203 3.339 -12.913 1.00 0.00 C ATOM 0 H VAL A 89 -4.010 4.038 -11.114 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.891 4.092 -14.025 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.781 5.204 -11.965 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.302 5.646 -13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.815 6.618 -13.958 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.012 5.185 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.282 3.421 -12.781 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.990 2.835 -13.856 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.779 2.763 -12.090 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.543 6.862 -12.275 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.978 8.199 -12.315 1.00 0.00 C ATOM 1404 C ASP A 90 -1.603 8.188 -11.643 1.00 0.00 C ATOM 1405 O ASP A 90 -0.581 8.337 -12.310 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.863 9.195 -11.563 1.00 0.00 C ATOM 1407 CG ASP A 90 -3.345 10.635 -11.544 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -2.394 10.906 -12.308 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -3.912 11.431 -10.764 1.00 0.00 O ATOM 0 H ASP A 90 -4.028 6.630 -11.408 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.903 8.501 -13.360 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.856 9.188 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.977 8.852 -10.535 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.623 8.008 -10.331 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.391 7.975 -9.561 1.00 0.00 C ATOM 1416 C HIS A 91 0.286 6.614 -9.734 1.00 0.00 C ATOM 1417 O HIS A 91 0.416 5.855 -8.775 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.657 8.323 -8.095 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.693 9.404 -7.898 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.361 10.716 -7.609 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.055 9.354 -7.953 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.481 11.415 -7.496 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.530 10.569 -7.709 1.00 0.00 N ATOM 0 H HIS A 91 -2.473 7.883 -9.781 1.00 0.00 H new ATOM 0 HA HIS A 91 0.296 8.734 -9.935 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.982 7.423 -7.572 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.277 8.641 -7.633 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -0.415 11.083 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.647 8.475 -8.160 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.551 12.470 -7.274 1.00 0.00 H new ATOM 1431 N VAL A 92 0.698 6.346 -10.964 1.00 0.00 N ATOM 1432 CA VAL A 92 1.358 5.090 -11.276 1.00 0.00 C ATOM 1433 C VAL A 92 2.871 5.263 -11.128 1.00 0.00 C ATOM 1434 O VAL A 92 3.577 4.316 -10.786 1.00 0.00 O ATOM 1435 CB VAL A 92 0.944 4.613 -12.669 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.782 5.293 -13.753 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.040 3.090 -12.778 1.00 0.00 C ATOM 0 H VAL A 92 0.587 6.978 -11.757 1.00 0.00 H new ATOM 0 HA VAL A 92 1.050 4.313 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.097 4.895 -12.824 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.467 4.936 -14.734 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.642 6.373 -13.698 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.835 5.056 -13.601 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.740 2.777 -13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.067 2.776 -12.592 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.381 2.630 -12.041 1.00 0.00 H new ATOM 1447 N THR A 93 3.324 6.480 -11.393 1.00 0.00 N ATOM 1448 CA THR A 93 4.740 6.789 -11.293 1.00 0.00 C ATOM 1449 C THR A 93 5.113 7.122 -9.847 1.00 0.00 C ATOM 1450 O THR A 93 6.284 7.068 -9.476 1.00 0.00 O ATOM 1451 CB THR A 93 5.046 7.921 -12.276 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.187 7.262 -13.532 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.418 8.554 -12.031 1.00 0.00 C ATOM 0 H THR A 93 2.735 7.263 -11.677 1.00 0.00 H new ATOM 0 HA THR A 93 5.353 5.929 -11.563 1.00 0.00 H new ATOM 0 HB THR A 93 4.274 8.687 -12.200 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.385 7.923 -14.228 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.585 9.351 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.454 8.966 -11.023 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.193 7.796 -12.140 1.00 0.00 H new ATOM 1461 N GLU A 94 4.094 7.460 -9.070 1.00 0.00 N ATOM 1462 CA GLU A 94 4.300 7.802 -7.673 1.00 0.00 C ATOM 1463 C GLU A 94 4.395 6.532 -6.824 1.00 0.00 C ATOM 1464 O GLU A 94 5.421 6.276 -6.196 1.00 0.00 O ATOM 1465 CB GLU A 94 3.188 8.720 -7.163 1.00 0.00 C ATOM 1466 CG GLU A 94 3.630 10.185 -7.193 1.00 0.00 C ATOM 1467 CD GLU A 94 2.444 11.120 -6.946 1.00 0.00 C ATOM 1468 OE1 GLU A 94 1.333 10.757 -7.389 1.00 0.00 O ATOM 1469 OE2 GLU A 94 2.676 12.176 -6.319 1.00 0.00 O ATOM 0 H GLU A 94 3.124 7.504 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 94 5.241 8.345 -7.587 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.296 8.593 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.917 8.439 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.395 10.354 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.082 10.413 -8.158 1.00 0.00 H new ATOM 1476 N VAL A 95 3.311 5.770 -6.833 1.00 0.00 N ATOM 1477 CA VAL A 95 3.259 4.534 -6.072 1.00 0.00 C ATOM 1478 C VAL A 95 4.434 3.641 -6.476 1.00 0.00 C ATOM 1479 O VAL A 95 5.050 2.999 -5.627 1.00 0.00 O ATOM 1480 CB VAL A 95 1.900 3.857 -6.266 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.760 4.787 -5.847 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.723 3.388 -7.711 1.00 0.00 C ATOM 0 H VAL A 95 2.462 5.985 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 95 3.357 4.738 -5.006 1.00 0.00 H new ATOM 0 HB VAL A 95 1.868 2.978 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.195 4.282 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.873 5.050 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.789 5.693 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.749 2.911 -7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.785 4.245 -8.382 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.508 2.674 -7.960 1.00 0.00 H new ATOM 1492 N SER A 96 4.709 3.630 -7.772 1.00 0.00 N ATOM 1493 CA SER A 96 5.800 2.828 -8.299 1.00 0.00 C ATOM 1494 C SER A 96 7.048 3.009 -7.433 1.00 0.00 C ATOM 1495 O SER A 96 7.135 3.955 -6.652 1.00 0.00 O ATOM 1496 CB SER A 96 6.103 3.197 -9.752 1.00 0.00 C ATOM 1497 OG SER A 96 6.414 4.580 -9.898 1.00 0.00 O ATOM 0 H SER A 96 4.195 4.164 -8.473 1.00 0.00 H new ATOM 0 HA SER A 96 5.498 1.781 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.939 2.597 -10.111 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.243 2.951 -10.375 1.00 0.00 H new ATOM 0 HG SER A 96 6.596 4.969 -9.017 1.00 0.00 H new ATOM 1503 N GLN A 97 7.985 2.087 -7.601 1.00 0.00 N ATOM 1504 CA GLN A 97 9.225 2.133 -6.845 1.00 0.00 C ATOM 1505 C GLN A 97 9.039 1.468 -5.480 1.00 0.00 C ATOM 1506 O GLN A 97 9.976 1.402 -4.685 1.00 0.00 O ATOM 1507 CB GLN A 97 9.720 3.573 -6.691 1.00 0.00 C ATOM 1508 CG GLN A 97 11.225 3.666 -6.950 1.00 0.00 C ATOM 1509 CD GLN A 97 11.715 5.110 -6.822 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.409 5.814 -5.874 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.490 5.509 -7.826 1.00 0.00 N ATOM 0 H GLN A 97 7.910 1.304 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 97 9.985 1.579 -7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.187 4.221 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.497 3.932 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.759 3.033 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.450 3.289 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.707 4.868 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.868 6.456 -7.833 1.00 0.00 H new ATOM 1520 N TRP A 98 7.825 0.992 -5.250 1.00 0.00 N ATOM 1521 CA TRP A 98 7.504 0.334 -3.995 1.00 0.00 C ATOM 1522 C TRP A 98 6.178 -0.408 -4.174 1.00 0.00 C ATOM 1523 O TRP A 98 6.044 -1.557 -3.755 1.00 0.00 O ATOM 1524 CB TRP A 98 7.475 1.338 -2.841 1.00 0.00 C ATOM 1525 CG TRP A 98 6.480 2.484 -3.038 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.692 3.669 -3.627 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.099 2.505 -2.619 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.554 4.449 -3.618 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.554 3.718 -2.986 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.336 1.530 -1.952 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.224 4.070 -2.728 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.008 1.898 -1.702 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.445 3.115 -2.065 1.00 0.00 C ATOM 0 H TRP A 98 7.051 1.049 -5.912 1.00 0.00 H new ATOM 0 HA TRP A 98 8.275 -0.390 -3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.228 0.810 -1.920 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.473 1.756 -2.711 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.635 3.975 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.463 5.389 -4.004 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.742 0.574 -1.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.821 5.027 -3.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.377 1.186 -1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.410 3.323 -1.836 1.00 0.00 H new ATOM 1544 N MET A 99 5.232 0.279 -4.798 1.00 0.00 N ATOM 1545 CA MET A 99 3.922 -0.301 -5.039 1.00 0.00 C ATOM 1546 C MET A 99 4.032 -1.794 -5.356 1.00 0.00 C ATOM 1547 O MET A 99 3.180 -2.583 -4.950 1.00 0.00 O ATOM 1548 CB MET A 99 3.251 0.421 -6.209 1.00 0.00 C ATOM 1549 CG MET A 99 1.878 -0.183 -6.512 1.00 0.00 C ATOM 1550 SD MET A 99 0.932 -0.333 -5.007 1.00 0.00 S ATOM 1551 CE MET A 99 0.103 1.248 -5.003 1.00 0.00 C ATOM 0 H MET A 99 5.347 1.232 -5.144 1.00 0.00 H new ATOM 0 HA MET A 99 3.323 -0.184 -4.136 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.142 1.480 -5.973 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.885 0.355 -7.093 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.345 0.445 -7.225 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.997 -1.162 -6.976 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.932 1.116 -4.686 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.610 1.923 -4.313 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.124 1.672 -6.007 1.00 0.00 H new ATOM 1561 N VAL A 100 5.089 -2.136 -6.078 1.00 0.00 N ATOM 1562 CA VAL A 100 5.322 -3.520 -6.453 1.00 0.00 C ATOM 1563 C VAL A 100 5.187 -4.410 -5.216 1.00 0.00 C ATOM 1564 O VAL A 100 4.475 -5.412 -5.242 1.00 0.00 O ATOM 1565 CB VAL A 100 6.682 -3.654 -7.141 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.709 -2.877 -8.459 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.812 -3.202 -6.214 1.00 0.00 C ATOM 0 H VAL A 100 5.793 -1.479 -6.413 1.00 0.00 H new ATOM 0 HA VAL A 100 4.574 -3.851 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 100 6.839 -4.708 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.687 -2.989 -8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.940 -3.266 -9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.519 -1.822 -8.263 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.768 -3.307 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.661 -2.158 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.813 -3.818 -5.315 1.00 0.00 H new ATOM 1577 N GLY A 101 5.883 -4.011 -4.161 1.00 0.00 N ATOM 1578 CA GLY A 101 5.850 -4.760 -2.916 1.00 0.00 C ATOM 1579 C GLY A 101 4.424 -4.856 -2.372 1.00 0.00 C ATOM 1580 O GLY A 101 3.879 -5.951 -2.238 1.00 0.00 O ATOM 0 H GLY A 101 6.473 -3.179 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.249 -5.761 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.492 -4.277 -2.180 1.00 0.00 H new ATOM 1584 N VAL A 102 3.859 -3.696 -2.073 1.00 0.00 N ATOM 1585 CA VAL A 102 2.506 -3.636 -1.547 1.00 0.00 C ATOM 1586 C VAL A 102 1.585 -4.489 -2.421 1.00 0.00 C ATOM 1587 O VAL A 102 0.862 -5.347 -1.915 1.00 0.00 O ATOM 1588 CB VAL A 102 2.049 -2.179 -1.442 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.578 -2.094 -1.029 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.937 -1.395 -0.473 1.00 0.00 C ATOM 0 H VAL A 102 4.314 -2.790 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 102 2.470 -4.048 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 102 2.146 -1.725 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.279 -1.048 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.038 -2.601 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.444 -2.573 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.591 -0.363 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.886 -1.850 0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.967 -1.413 -0.828 1.00 0.00 H new ATOM 1600 N LYS A 103 1.640 -4.225 -3.718 1.00 0.00 N ATOM 1601 CA LYS A 103 0.820 -4.958 -4.667 1.00 0.00 C ATOM 1602 C LYS A 103 0.847 -6.447 -4.314 1.00 0.00 C ATOM 1603 O LYS A 103 -0.201 -7.064 -4.132 1.00 0.00 O ATOM 1604 CB LYS A 103 1.261 -4.658 -6.101 1.00 0.00 C ATOM 1605 CG LYS A 103 0.512 -5.540 -7.101 1.00 0.00 C ATOM 1606 CD LYS A 103 1.454 -6.559 -7.746 1.00 0.00 C ATOM 1607 CE LYS A 103 0.752 -7.904 -7.946 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.463 -8.713 -8.961 1.00 0.00 N ATOM 0 H LYS A 103 2.240 -3.513 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.219 -4.633 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.079 -3.608 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.334 -4.823 -6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.301 -6.060 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.060 -4.918 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 103 1.803 -6.180 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.335 -6.694 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.715 -8.446 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.279 -7.740 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.794 -9.006 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.224 -8.146 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.871 -9.556 -8.509 1.00 0.00 H new ATOM 1622 N ARG A 104 2.057 -6.980 -4.229 1.00 0.00 N ATOM 1623 CA ARG A 104 2.234 -8.384 -3.901 1.00 0.00 C ATOM 1624 C ARG A 104 1.629 -8.690 -2.529 1.00 0.00 C ATOM 1625 O ARG A 104 0.889 -9.661 -2.376 1.00 0.00 O ATOM 1626 CB ARG A 104 3.716 -8.766 -3.894 1.00 0.00 C ATOM 1627 CG ARG A 104 3.894 -10.269 -3.675 1.00 0.00 C ATOM 1628 CD ARG A 104 3.441 -11.060 -4.904 1.00 0.00 C ATOM 1629 NE ARG A 104 4.537 -11.124 -5.896 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.721 -10.224 -6.872 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.883 -9.186 -6.992 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.743 -10.363 -7.728 1.00 0.00 N ATOM 0 H ARG A 104 2.924 -6.465 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 104 1.723 -8.969 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.174 -8.476 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.233 -8.217 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.941 -10.488 -3.463 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.320 -10.584 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.146 -12.067 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.565 -10.588 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 104 5.194 -11.902 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.105 -9.081 -6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.023 -8.501 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.381 -11.154 -7.637 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.883 -9.678 -8.471 1.00 0.00 H new ATOM 1646 N LEU A 105 1.966 -7.844 -1.568 1.00 0.00 N ATOM 1647 CA LEU A 105 1.465 -8.011 -0.214 1.00 0.00 C ATOM 1648 C LEU A 105 -0.008 -8.421 -0.267 1.00 0.00 C ATOM 1649 O LEU A 105 -0.384 -9.469 0.257 1.00 0.00 O ATOM 1650 CB LEU A 105 1.723 -6.750 0.613 1.00 0.00 C ATOM 1651 CG LEU A 105 1.403 -6.849 2.106 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.647 -6.572 2.953 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.239 -5.930 2.479 1.00 0.00 C ATOM 0 H LEU A 105 2.580 -7.040 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 105 2.002 -8.812 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.773 -6.477 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.136 -5.935 0.189 1.00 0.00 H new ATOM 0 HG LEU A 105 1.088 -7.870 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.392 -6.649 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.421 -7.301 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.016 -5.568 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.032 -6.020 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.501 -4.898 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.647 -6.217 1.912 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.803 -7.573 -0.904 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.226 -7.834 -1.032 1.00 0.00 C ATOM 1667 C ILE A 106 -2.443 -9.317 -1.338 1.00 0.00 C ATOM 1668 O ILE A 106 -3.001 -10.048 -0.521 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.852 -6.895 -2.064 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.739 -5.435 -1.619 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.300 -7.292 -2.361 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.916 -4.484 -2.804 1.00 0.00 C ATOM 0 H ILE A 106 -0.488 -6.705 -1.337 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.738 -7.624 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.293 -6.992 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.494 -5.223 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.767 -5.267 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.721 -6.608 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.325 -8.309 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.886 -7.243 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.831 -3.453 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.145 -4.682 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.899 -4.638 -3.250 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.991 -9.717 -2.517 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.129 -11.100 -2.942 1.00 0.00 C ATOM 1686 C ALA A 107 -1.770 -12.024 -1.777 1.00 0.00 C ATOM 1687 O ALA A 107 -2.557 -12.893 -1.404 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.253 -11.346 -4.172 1.00 0.00 C ATOM 0 H ALA A 107 -1.529 -9.108 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.159 -11.313 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.356 -12.383 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.567 -10.685 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.211 -11.145 -3.923 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.581 -11.807 -1.234 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.109 -12.609 -0.119 1.00 0.00 C ATOM 1696 C GLU A 108 -1.141 -12.610 1.010 1.00 0.00 C ATOM 1697 O GLU A 108 -1.701 -13.653 1.343 1.00 0.00 O ATOM 1698 CB GLU A 108 1.249 -12.110 0.379 1.00 0.00 C ATOM 1699 CG GLU A 108 2.311 -12.221 -0.717 1.00 0.00 C ATOM 1700 CD GLU A 108 2.336 -13.630 -1.314 1.00 0.00 C ATOM 1701 OE1 GLU A 108 2.382 -14.586 -0.511 1.00 0.00 O ATOM 1702 OE2 GLU A 108 2.310 -13.718 -2.561 1.00 0.00 O ATOM 0 H GLU A 108 0.070 -11.086 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 108 0.022 -13.634 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.163 -11.073 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.557 -12.691 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.106 -11.493 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.291 -11.979 -0.305 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.363 -11.428 1.566 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.318 -11.279 2.651 1.00 0.00 C ATOM 1711 C LYS A 109 -3.573 -12.095 2.335 1.00 0.00 C ATOM 1712 O LYS A 109 -3.938 -12.996 3.087 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.598 -9.799 2.919 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.395 -9.125 3.584 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.274 -9.544 5.050 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.459 -9.026 5.868 1.00 0.00 C ATOM 1717 NZ LYS A 109 -3.075 -10.128 6.642 1.00 0.00 N ATOM 0 H LYS A 109 -0.898 -10.565 1.285 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.905 -11.674 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.830 -9.294 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.474 -9.701 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.483 -9.391 3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.498 -8.042 3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.228 -10.631 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.344 -9.158 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.125 -8.240 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.200 -8.581 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.878 -9.760 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.411 -10.865 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.370 -10.534 7.289 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.200 -11.748 1.220 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.406 -12.437 0.794 1.00 0.00 C ATOM 1733 C LYS A 110 -5.142 -13.944 0.756 1.00 0.00 C ATOM 1734 O LYS A 110 -5.934 -14.730 1.273 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.909 -11.867 -0.533 1.00 0.00 C ATOM 1736 CG LYS A 110 -7.045 -12.721 -1.102 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.409 -12.275 -2.520 1.00 0.00 C ATOM 1738 CE LYS A 110 -8.895 -12.503 -2.801 1.00 0.00 C ATOM 1739 NZ LYS A 110 -9.079 -13.644 -3.726 1.00 0.00 N ATOM 0 H LYS A 110 -3.895 -10.999 0.599 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.211 -12.272 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.257 -10.845 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.088 -11.824 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.747 -13.769 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.920 -12.645 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.169 -11.219 -2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.809 -12.827 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.422 -12.696 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.332 -11.603 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.964 -14.138 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.122 -13.294 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.280 -14.302 -3.629 1.00 0.00 H new ATOM 1753 N SER A 111 -4.026 -14.301 0.139 1.00 0.00 N ATOM 1754 CA SER A 111 -3.647 -15.699 0.026 1.00 0.00 C ATOM 1755 C SER A 111 -3.730 -16.375 1.396 1.00 0.00 C ATOM 1756 O SER A 111 -4.355 -17.426 1.537 1.00 0.00 O ATOM 1757 CB SER A 111 -2.238 -15.843 -0.552 1.00 0.00 C ATOM 1758 OG SER A 111 -2.243 -16.509 -1.812 1.00 0.00 O ATOM 0 H SER A 111 -3.371 -13.646 -0.288 1.00 0.00 H new ATOM 0 HA SER A 111 -4.342 -16.188 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.790 -14.856 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.614 -16.397 0.149 1.00 0.00 H new ATOM 0 HG SER A 111 -1.325 -16.580 -2.148 1.00 0.00 H new ATOM 1764 N LEU A 112 -3.091 -15.746 2.371 1.00 0.00 N ATOM 1765 CA LEU A 112 -3.086 -16.274 3.725 1.00 0.00 C ATOM 1766 C LEU A 112 -4.521 -16.587 4.152 1.00 0.00 C ATOM 1767 O LEU A 112 -4.860 -17.742 4.404 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.357 -15.317 4.670 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.927 -14.944 4.277 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.398 -13.804 5.149 1.00 0.00 C ATOM 1771 CD2 LEU A 112 -0.011 -16.169 4.317 1.00 0.00 C ATOM 0 H LEU A 112 -2.573 -14.876 2.251 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.530 -17.211 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.942 -14.400 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.334 -15.766 5.663 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.938 -14.583 3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.621 -13.559 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.034 -12.927 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.403 -14.113 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.000 -15.877 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.000 -16.582 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.380 -16.922 3.620 1.00 0.00 H new ATOM 1783 N SER A 113 -5.326 -15.537 4.220 1.00 0.00 N ATOM 1784 CA SER A 113 -6.718 -15.685 4.612 1.00 0.00 C ATOM 1785 C SER A 113 -7.333 -16.897 3.910 1.00 0.00 C ATOM 1786 O SER A 113 -8.100 -17.645 4.513 1.00 0.00 O ATOM 1787 CB SER A 113 -7.518 -14.422 4.291 1.00 0.00 C ATOM 1788 OG SER A 113 -8.487 -14.133 5.295 1.00 0.00 O ATOM 0 H SER A 113 -5.041 -14.580 4.010 1.00 0.00 H new ATOM 0 HA SER A 113 -6.755 -15.841 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.837 -13.577 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.017 -14.544 3.330 1.00 0.00 H new ATOM 0 HG SER A 113 -8.975 -13.318 5.054 1.00 0.00 H new ATOM 1794 N GLY A 114 -6.974 -17.052 2.644 1.00 0.00 N ATOM 1795 CA GLY A 114 -7.481 -18.160 1.852 1.00 0.00 C ATOM 1796 C GLY A 114 -8.958 -17.956 1.507 1.00 0.00 C ATOM 1797 O GLY A 114 -9.838 -18.410 2.237 1.00 0.00 O ATOM 0 H GLY A 114 -6.338 -16.429 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.899 -18.253 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.358 -19.092 2.403 1.00 0.00 H new ATOM 1801 N PRO A 115 -9.190 -17.255 0.365 1.00 0.00 N ATOM 1802 CA PRO A 115 -10.544 -16.985 -0.086 1.00 0.00 C ATOM 1803 C PRO A 115 -11.182 -18.240 -0.686 1.00 0.00 C ATOM 1804 O PRO A 115 -12.238 -18.680 -0.234 1.00 0.00 O ATOM 1805 CB PRO A 115 -10.407 -15.851 -1.089 1.00 0.00 C ATOM 1806 CG PRO A 115 -8.946 -15.841 -1.509 1.00 0.00 C ATOM 1807 CD PRO A 115 -8.172 -16.702 -0.524 1.00 0.00 C ATOM 0 HA PRO A 115 -11.209 -16.699 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -11.059 -16.008 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -10.692 -14.898 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -8.837 -16.228 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -8.557 -14.823 -1.514 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -7.622 -17.492 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -7.442 -16.112 0.029 1.00 0.00 H new ATOM 1815 N SER A 116 -10.515 -18.780 -1.695 1.00 0.00 N ATOM 1816 CA SER A 116 -11.003 -19.975 -2.361 1.00 0.00 C ATOM 1817 C SER A 116 -9.972 -21.099 -2.242 1.00 0.00 C ATOM 1818 O SER A 116 -8.774 -20.866 -2.393 1.00 0.00 O ATOM 1819 CB SER A 116 -11.317 -19.696 -3.832 1.00 0.00 C ATOM 1820 OG SER A 116 -11.879 -20.832 -4.483 1.00 0.00 O ATOM 0 H SER A 116 -9.640 -18.412 -2.068 1.00 0.00 H new ATOM 0 HA SER A 116 -11.927 -20.285 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.011 -18.858 -3.902 1.00 0.00 H new ATOM 0 HB3 SER A 116 -10.404 -19.398 -4.347 1.00 0.00 H new ATOM 0 HG SER A 116 -12.067 -20.613 -5.420 1.00 0.00 H new ATOM 1826 N SER A 117 -10.476 -22.294 -1.972 1.00 0.00 N ATOM 1827 CA SER A 117 -9.614 -23.455 -1.831 1.00 0.00 C ATOM 1828 C SER A 117 -8.601 -23.222 -0.708 1.00 0.00 C ATOM 1829 O SER A 117 -7.695 -22.402 -0.845 1.00 0.00 O ATOM 1830 CB SER A 117 -8.889 -23.766 -3.142 1.00 0.00 C ATOM 1831 OG SER A 117 -8.922 -25.156 -3.455 1.00 0.00 O ATOM 0 H SER A 117 -11.470 -22.483 -1.847 1.00 0.00 H new ATOM 0 HA SER A 117 -10.237 -24.313 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 117 -9.349 -23.201 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 117 -7.853 -23.435 -3.070 1.00 0.00 H new ATOM 0 HG SER A 117 -8.450 -25.312 -4.300 1.00 0.00 H new ATOM 1837 N GLY A 118 -8.790 -23.958 0.378 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.905 -23.841 1.524 1.00 0.00 C ATOM 1839 C GLY A 118 -8.699 -23.845 2.832 1.00 0.00 C ATOM 1840 O GLY A 118 -8.392 -24.610 3.746 1.00 0.00 O ATOM 0 H GLY A 118 -9.543 -24.637 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.193 -24.666 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -7.326 -22.921 1.449 1.00 0.00 H new TER 1844 GLY A 118