USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 950 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 Single : A 1 GLY N :NH3+ -119:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 1.27 USER MOD Single : A 6 SER OG : rot 180:sc= -0.168 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0988 USER MOD Single : A 11 GLN : amide:sc= -2.43! C(o=-2.4!,f=-3.5!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -3.75 X(o=-3.7,f=-3.8!) USER MOD Single : A 32 GLN : amide:sc= -0.0865 K(o=-0.086,f=-2.9!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00353 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.11 X(o=-0.11,f=0.045) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0849 (180deg=-0.377) USER MOD Single : A 55 GLN : amide:sc= 0.46 K(o=0.46,f=-5.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -0.496 (180deg=-1.07) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.366 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -54:sc= 1.44 USER MOD Single : A 79 THR OG1 : rot 100:sc= 0.942 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 63:sc= 0.63 USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 SER OG : rot 170:sc= -0.931 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.196 K(o=-0.2,f=-3.3) USER MOD Single : A 103 MET CE :methyl -172:sc= 0 (180deg=-0.052) USER MOD Single : A 104 LYS NZ :NH3+ -145:sc= -0.417 (180deg=-1.85!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 76.022 9.914 11.838 1.00 0.00 N ATOM 2 CA GLY A 1 74.938 9.342 11.062 1.00 0.00 C ATOM 3 C GLY A 1 73.579 9.615 11.675 1.00 0.00 C ATOM 4 O GLY A 1 73.483 10.193 12.757 1.00 0.00 O ATOM 0 H1 GLY A 1 76.537 10.606 11.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.635 10.387 12.679 1.00 0.00 H new ATOM 0 H3 GLY A 1 76.673 9.159 12.135 1.00 0.00 H new ATOM 0 HA2 GLY A 1 74.965 9.748 10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 75.085 8.265 10.977 1.00 0.00 H new ATOM 8 N SER A 2 72.524 9.200 10.981 1.00 0.00 N ATOM 9 CA SER A 2 71.163 9.409 11.461 1.00 0.00 C ATOM 10 C SER A 2 70.476 8.076 11.744 1.00 0.00 C ATOM 11 O SER A 2 70.970 7.016 11.359 1.00 0.00 O ATOM 12 CB SER A 2 70.354 10.204 10.435 1.00 0.00 C ATOM 13 OG SER A 2 69.239 10.834 11.042 1.00 0.00 O ATOM 0 H SER A 2 72.586 8.717 10.085 1.00 0.00 H new ATOM 0 HA SER A 2 71.215 9.976 12.390 1.00 0.00 H new ATOM 0 HB2 SER A 2 70.991 10.956 9.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 70.013 9.539 9.642 1.00 0.00 H new ATOM 0 HG SER A 2 68.739 11.337 10.366 1.00 0.00 H new ATOM 19 N SER A 3 69.333 8.138 12.420 1.00 0.00 N ATOM 20 CA SER A 3 68.580 6.936 12.759 1.00 0.00 C ATOM 21 C SER A 3 67.273 6.875 11.974 1.00 0.00 C ATOM 22 O SER A 3 67.037 5.939 11.211 1.00 0.00 O ATOM 23 CB SER A 3 68.288 6.898 14.261 1.00 0.00 C ATOM 24 OG SER A 3 69.340 6.266 14.969 1.00 0.00 O ATOM 0 H SER A 3 68.908 9.007 12.743 1.00 0.00 H new ATOM 0 HA SER A 3 69.186 6.070 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 68.153 7.913 14.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 67.354 6.366 14.440 1.00 0.00 H new ATOM 0 HG SER A 3 69.130 6.256 15.926 1.00 0.00 H new ATOM 30 N GLY A 4 66.426 7.882 12.167 1.00 0.00 N ATOM 31 CA GLY A 4 65.153 7.924 11.472 1.00 0.00 C ATOM 32 C GLY A 4 64.183 6.872 11.972 1.00 0.00 C ATOM 33 O GLY A 4 64.564 5.974 12.722 1.00 0.00 O ATOM 0 H GLY A 4 66.599 8.669 12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 64.708 8.911 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 4 65.321 7.781 10.405 1.00 0.00 H new ATOM 37 N SER A 5 62.925 6.985 11.559 1.00 0.00 N ATOM 38 CA SER A 5 61.896 6.039 11.975 1.00 0.00 C ATOM 39 C SER A 5 60.600 6.272 11.203 1.00 0.00 C ATOM 40 O SER A 5 60.416 7.317 10.579 1.00 0.00 O ATOM 41 CB SER A 5 61.637 6.163 13.477 1.00 0.00 C ATOM 42 OG SER A 5 62.482 5.294 14.213 1.00 0.00 O ATOM 0 H SER A 5 62.594 7.722 10.937 1.00 0.00 H new ATOM 0 HA SER A 5 62.253 5.032 11.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 61.803 7.192 13.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 60.594 5.928 13.690 1.00 0.00 H new ATOM 0 HG SER A 5 63.399 5.364 13.873 1.00 0.00 H new ATOM 48 N SER A 6 59.705 5.291 11.252 1.00 0.00 N ATOM 49 CA SER A 6 58.428 5.386 10.556 1.00 0.00 C ATOM 50 C SER A 6 57.382 4.492 11.214 1.00 0.00 C ATOM 51 O SER A 6 57.672 3.785 12.179 1.00 0.00 O ATOM 52 CB SER A 6 58.595 4.997 9.085 1.00 0.00 C ATOM 53 OG SER A 6 59.560 5.815 8.448 1.00 0.00 O ATOM 0 H SER A 6 59.841 4.421 11.767 1.00 0.00 H new ATOM 0 HA SER A 6 58.086 6.419 10.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 58.896 3.952 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 6 57.639 5.089 8.570 1.00 0.00 H new ATOM 0 HG SER A 6 59.649 5.546 7.510 1.00 0.00 H new ATOM 59 N GLY A 7 56.162 4.529 10.685 1.00 0.00 N ATOM 60 CA GLY A 7 55.091 3.718 11.234 1.00 0.00 C ATOM 61 C GLY A 7 54.365 2.920 10.169 1.00 0.00 C ATOM 62 O GLY A 7 54.858 2.768 9.051 1.00 0.00 O ATOM 0 H GLY A 7 55.897 5.106 9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 7 55.501 3.036 11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 54.379 4.362 11.750 1.00 0.00 H new ATOM 66 N THR A 8 53.188 2.407 10.516 1.00 0.00 N ATOM 67 CA THR A 8 52.394 1.617 9.584 1.00 0.00 C ATOM 68 C THR A 8 50.946 1.509 10.049 1.00 0.00 C ATOM 69 O THR A 8 50.636 1.772 11.212 1.00 0.00 O ATOM 70 CB THR A 8 52.973 0.201 9.411 1.00 0.00 C ATOM 71 OG1 THR A 8 52.282 -0.487 8.363 1.00 0.00 O ATOM 72 CG2 THR A 8 52.861 -0.591 10.705 1.00 0.00 C ATOM 0 H THR A 8 52.764 2.525 11.436 1.00 0.00 H new ATOM 0 HA THR A 8 52.427 2.134 8.625 1.00 0.00 H new ATOM 0 HB THR A 8 54.027 0.293 9.150 1.00 0.00 H new ATOM 0 HG1 THR A 8 52.658 -1.386 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 8 53.276 -1.588 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 8 53.414 -0.080 11.493 1.00 0.00 H new ATOM 0 HG23 THR A 8 51.813 -0.673 10.992 1.00 0.00 H new ATOM 80 N LEU A 9 50.064 1.119 9.136 1.00 0.00 N ATOM 81 CA LEU A 9 48.647 0.975 9.454 1.00 0.00 C ATOM 82 C LEU A 9 48.069 -0.278 8.804 1.00 0.00 C ATOM 83 O LEU A 9 48.464 -0.657 7.702 1.00 0.00 O ATOM 84 CB LEU A 9 47.872 2.209 8.989 1.00 0.00 C ATOM 85 CG LEU A 9 46.615 2.552 9.789 1.00 0.00 C ATOM 86 CD1 LEU A 9 46.262 4.022 9.624 1.00 0.00 C ATOM 87 CD2 LEU A 9 45.451 1.671 9.358 1.00 0.00 C ATOM 0 H LEU A 9 50.304 0.897 8.170 1.00 0.00 H new ATOM 0 HA LEU A 9 48.550 0.879 10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 9 48.543 3.067 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 47.587 2.063 7.947 1.00 0.00 H new ATOM 0 HG LEU A 9 46.816 2.364 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 9 45.365 4.248 10.200 1.00 0.00 H new ATOM 0 HD12 LEU A 9 47.088 4.637 9.982 1.00 0.00 H new ATOM 0 HD13 LEU A 9 46.080 4.237 8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 9 44.565 1.929 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 9 45.249 1.827 8.298 1.00 0.00 H new ATOM 0 HD23 LEU A 9 45.704 0.625 9.529 1.00 0.00 H new ATOM 99 N ALA A 10 47.129 -0.916 9.494 1.00 0.00 N ATOM 100 CA ALA A 10 46.493 -2.124 8.983 1.00 0.00 C ATOM 101 C ALA A 10 45.016 -2.167 9.359 1.00 0.00 C ATOM 102 O ALA A 10 44.509 -1.265 10.026 1.00 0.00 O ATOM 103 CB ALA A 10 47.209 -3.360 9.506 1.00 0.00 C ATOM 0 H ALA A 10 46.791 -0.616 10.409 1.00 0.00 H new ATOM 0 HA ALA A 10 46.564 -2.110 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 10 46.723 -4.254 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 10 48.250 -3.342 9.182 1.00 0.00 H new ATOM 0 HB3 ALA A 10 47.168 -3.371 10.595 1.00 0.00 H new ATOM 109 N GLN A 11 44.331 -3.221 8.927 1.00 0.00 N ATOM 110 CA GLN A 11 42.911 -3.380 9.218 1.00 0.00 C ATOM 111 C GLN A 11 42.604 -4.805 9.667 1.00 0.00 C ATOM 112 O GLN A 11 43.065 -5.781 9.076 1.00 0.00 O ATOM 113 CB GLN A 11 42.074 -3.030 7.987 1.00 0.00 C ATOM 114 CG GLN A 11 42.303 -3.963 6.809 1.00 0.00 C ATOM 115 CD GLN A 11 43.761 -4.041 6.401 1.00 0.00 C ATOM 116 OE1 GLN A 11 44.441 -5.031 6.672 1.00 0.00 O ATOM 117 NE2 GLN A 11 44.249 -2.995 5.746 1.00 0.00 N ATOM 0 H GLN A 11 44.736 -3.977 8.375 1.00 0.00 H new ATOM 0 HA GLN A 11 42.654 -2.699 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 11 41.018 -3.053 8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 11 42.303 -2.009 7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 11 41.948 -4.961 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 11 41.710 -3.623 5.960 1.00 0.00 H new ATOM 0 HE21 GLN A 11 43.649 -2.195 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 11 45.224 -2.991 5.446 1.00 0.00 H new ATOM 126 N PRO A 12 41.806 -4.929 10.738 1.00 0.00 N ATOM 127 CA PRO A 12 41.419 -6.231 11.291 1.00 0.00 C ATOM 128 C PRO A 12 40.468 -6.991 10.372 1.00 0.00 C ATOM 129 O PRO A 12 39.890 -6.418 9.449 1.00 0.00 O ATOM 130 CB PRO A 12 40.718 -5.866 12.602 1.00 0.00 C ATOM 131 CG PRO A 12 40.216 -4.479 12.390 1.00 0.00 C ATOM 132 CD PRO A 12 41.219 -3.808 11.492 1.00 0.00 C ATOM 0 HA PRO A 12 42.277 -6.890 11.420 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.901 -6.554 12.819 1.00 0.00 H new ATOM 0 HB3 PRO A 12 41.407 -5.913 13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.227 -4.488 11.932 1.00 0.00 H new ATOM 0 HG3 PRO A 12 40.124 -3.948 13.338 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.744 -3.083 10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 12 41.974 -3.270 12.065 1.00 0.00 H new ATOM 140 N VAL A 13 40.310 -8.285 10.632 1.00 0.00 N ATOM 141 CA VAL A 13 39.428 -9.124 9.829 1.00 0.00 C ATOM 142 C VAL A 13 38.017 -9.148 10.407 1.00 0.00 C ATOM 143 O VAL A 13 37.808 -9.561 11.548 1.00 0.00 O ATOM 144 CB VAL A 13 39.957 -10.567 9.736 1.00 0.00 C ATOM 145 CG1 VAL A 13 38.973 -11.449 8.984 1.00 0.00 C ATOM 146 CG2 VAL A 13 41.324 -10.590 9.068 1.00 0.00 C ATOM 0 H VAL A 13 40.781 -8.775 11.392 1.00 0.00 H new ATOM 0 HA VAL A 13 39.401 -8.690 8.830 1.00 0.00 H new ATOM 0 HB VAL A 13 40.064 -10.963 10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 13 39.364 -12.465 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 13 38.017 -11.456 9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 38.832 -11.059 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 13 41.683 -11.617 9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 13 41.245 -10.176 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 13 42.024 -9.993 9.652 1.00 0.00 H new ATOM 156 N THR A 14 37.050 -8.702 9.610 1.00 0.00 N ATOM 157 CA THR A 14 35.658 -8.672 10.042 1.00 0.00 C ATOM 158 C THR A 14 34.715 -8.576 8.849 1.00 0.00 C ATOM 159 O THR A 14 35.142 -8.297 7.728 1.00 0.00 O ATOM 160 CB THR A 14 35.390 -7.488 10.991 1.00 0.00 C ATOM 161 OG1 THR A 14 34.022 -7.501 11.415 1.00 0.00 O ATOM 162 CG2 THR A 14 35.703 -6.166 10.308 1.00 0.00 C ATOM 0 H THR A 14 37.206 -8.357 8.663 1.00 0.00 H new ATOM 0 HA THR A 14 35.472 -9.604 10.575 1.00 0.00 H new ATOM 0 HB THR A 14 36.040 -7.592 11.860 1.00 0.00 H new ATOM 0 HG1 THR A 14 33.860 -6.747 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.506 -5.345 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 36.752 -6.148 10.013 1.00 0.00 H new ATOM 0 HG23 THR A 14 35.075 -6.056 9.424 1.00 0.00 H new ATOM 170 N ILE A 15 33.430 -8.808 9.096 1.00 0.00 N ATOM 171 CA ILE A 15 32.426 -8.745 8.041 1.00 0.00 C ATOM 172 C ILE A 15 31.777 -7.366 7.982 1.00 0.00 C ATOM 173 O ILE A 15 31.468 -6.769 9.013 1.00 0.00 O ATOM 174 CB ILE A 15 31.330 -9.808 8.244 1.00 0.00 C ATOM 175 CG1 ILE A 15 31.947 -11.207 8.287 1.00 0.00 C ATOM 176 CG2 ILE A 15 30.292 -9.716 7.135 1.00 0.00 C ATOM 177 CD1 ILE A 15 32.430 -11.612 9.663 1.00 0.00 C ATOM 0 H ILE A 15 33.060 -9.041 10.017 1.00 0.00 H new ATOM 0 HA ILE A 15 32.942 -8.941 7.101 1.00 0.00 H new ATOM 0 HB ILE A 15 30.835 -9.620 9.197 1.00 0.00 H new ATOM 0 HG12 ILE A 15 31.209 -11.931 7.942 1.00 0.00 H new ATOM 0 HG13 ILE A 15 32.784 -11.248 7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 15 29.524 -10.473 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 15 29.834 -8.727 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 15 30.774 -9.882 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 15 32.855 -12.615 9.619 1.00 0.00 H new ATOM 0 HD12 ILE A 15 33.191 -10.910 10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 15 31.592 -11.604 10.360 1.00 0.00 H new ATOM 189 N ARG A 16 31.571 -6.868 6.767 1.00 0.00 N ATOM 190 CA ARG A 16 30.958 -5.559 6.572 1.00 0.00 C ATOM 191 C ARG A 16 29.635 -5.461 7.326 1.00 0.00 C ATOM 192 O ARG A 16 28.917 -6.450 7.470 1.00 0.00 O ATOM 193 CB ARG A 16 30.728 -5.297 5.083 1.00 0.00 C ATOM 194 CG ARG A 16 31.970 -4.812 4.351 1.00 0.00 C ATOM 195 CD ARG A 16 31.611 -4.092 3.061 1.00 0.00 C ATOM 196 NE ARG A 16 30.785 -2.912 3.304 1.00 0.00 N ATOM 197 CZ ARG A 16 30.249 -2.178 2.336 1.00 0.00 C ATOM 198 NH1 ARG A 16 30.451 -2.501 1.066 1.00 0.00 N ATOM 199 NH2 ARG A 16 29.508 -1.119 2.637 1.00 0.00 N ATOM 0 H ARG A 16 31.819 -7.351 5.903 1.00 0.00 H new ATOM 0 HA ARG A 16 31.639 -4.804 6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.374 -6.214 4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 16 29.937 -4.555 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 16 32.536 -4.142 4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.617 -5.661 4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 16 32.524 -3.795 2.545 1.00 0.00 H new ATOM 0 HD3 ARG A 16 31.080 -4.776 2.400 1.00 0.00 H new ATOM 0 HE ARG A 16 30.610 -2.637 4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.019 -3.315 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.038 -1.936 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.350 -0.868 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 16 29.097 -0.556 1.892 1.00 0.00 H new ATOM 213 N GLU A 17 29.321 -4.262 7.807 1.00 0.00 N ATOM 214 CA GLU A 17 28.085 -4.036 8.547 1.00 0.00 C ATOM 215 C GLU A 17 27.194 -3.031 7.825 1.00 0.00 C ATOM 216 O GLU A 17 27.585 -2.457 6.807 1.00 0.00 O ATOM 217 CB GLU A 17 28.395 -3.537 9.960 1.00 0.00 C ATOM 218 CG GLU A 17 29.243 -4.500 10.774 1.00 0.00 C ATOM 219 CD GLU A 17 29.401 -4.061 12.217 1.00 0.00 C ATOM 220 OE1 GLU A 17 28.375 -3.954 12.920 1.00 0.00 O ATOM 221 OE2 GLU A 17 30.551 -3.825 12.643 1.00 0.00 O ATOM 0 H GLU A 17 29.905 -3.433 7.698 1.00 0.00 H new ATOM 0 HA GLU A 17 27.553 -4.985 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.911 -2.579 9.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.458 -3.358 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 28.789 -5.490 10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 30.228 -4.588 10.315 1.00 0.00 H new ATOM 228 N ILE A 18 25.994 -2.823 8.357 1.00 0.00 N ATOM 229 CA ILE A 18 25.047 -1.887 7.763 1.00 0.00 C ATOM 230 C ILE A 18 25.246 -0.479 8.316 1.00 0.00 C ATOM 231 O ILE A 18 25.601 -0.303 9.481 1.00 0.00 O ATOM 232 CB ILE A 18 23.592 -2.324 8.014 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.321 -3.676 7.351 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.626 -1.270 7.494 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.061 -4.350 7.847 1.00 0.00 C ATOM 0 H ILE A 18 25.655 -3.290 9.198 1.00 0.00 H new ATOM 0 HA ILE A 18 25.237 -1.884 6.690 1.00 0.00 H new ATOM 0 HB ILE A 18 23.440 -2.430 9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.247 -3.535 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.170 -4.336 7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.601 -1.593 7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.807 -0.326 8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.777 -1.135 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.932 -5.303 7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.139 -4.523 8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.202 -3.710 7.645 1.00 0.00 H new ATOM 247 N ALA A 19 25.014 0.520 7.472 1.00 0.00 N ATOM 248 CA ALA A 19 25.163 1.912 7.876 1.00 0.00 C ATOM 249 C ALA A 19 23.969 2.375 8.704 1.00 0.00 C ATOM 250 O ALA A 19 24.130 3.060 9.713 1.00 0.00 O ATOM 251 CB ALA A 19 25.337 2.802 6.654 1.00 0.00 C ATOM 0 H ALA A 19 24.722 0.391 6.503 1.00 0.00 H new ATOM 0 HA ALA A 19 26.055 1.989 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.447 3.839 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.226 2.495 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.462 2.711 6.010 1.00 0.00 H new ATOM 257 N GLU A 20 22.771 1.996 8.269 1.00 0.00 N ATOM 258 CA GLU A 20 21.550 2.375 8.970 1.00 0.00 C ATOM 259 C GLU A 20 20.469 1.312 8.792 1.00 0.00 C ATOM 260 O GLU A 20 20.194 0.849 7.685 1.00 0.00 O ATOM 261 CB GLU A 20 21.041 3.725 8.462 1.00 0.00 C ATOM 262 CG GLU A 20 20.185 4.472 9.471 1.00 0.00 C ATOM 263 CD GLU A 20 21.001 5.069 10.601 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.288 4.343 11.575 1.00 0.00 O ATOM 265 OE2 GLU A 20 21.353 6.264 10.510 1.00 0.00 O ATOM 0 H GLU A 20 22.620 1.428 7.436 1.00 0.00 H new ATOM 0 HA GLU A 20 21.782 2.459 10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.894 4.347 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.461 3.566 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.641 5.267 8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.441 3.791 9.885 1.00 0.00 H new ATOM 272 N PRO A 21 19.840 0.915 9.909 1.00 0.00 N ATOM 273 CA PRO A 21 18.780 -0.097 9.903 1.00 0.00 C ATOM 274 C PRO A 21 17.500 0.408 9.245 1.00 0.00 C ATOM 275 O PRO A 21 17.224 1.607 9.209 1.00 0.00 O ATOM 276 CB PRO A 21 18.544 -0.371 11.391 1.00 0.00 C ATOM 277 CG PRO A 21 18.980 0.875 12.080 1.00 0.00 C ATOM 278 CD PRO A 21 20.116 1.424 11.263 1.00 0.00 C ATOM 0 HA PRO A 21 19.063 -0.981 9.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.495 -0.588 11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.118 -1.233 11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.162 1.593 12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.299 0.665 13.101 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.138 2.514 11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.081 1.078 11.633 1.00 0.00 H new ATOM 286 N PRO A 22 16.699 -0.527 8.713 1.00 0.00 N ATOM 287 CA PRO A 22 15.435 -0.200 8.047 1.00 0.00 C ATOM 288 C PRO A 22 14.374 0.291 9.027 1.00 0.00 C ATOM 289 O PRO A 22 14.279 -0.199 10.152 1.00 0.00 O ATOM 290 CB PRO A 22 15.009 -1.530 7.421 1.00 0.00 C ATOM 291 CG PRO A 22 15.664 -2.571 8.262 1.00 0.00 C ATOM 292 CD PRO A 22 16.966 -1.975 8.720 1.00 0.00 C ATOM 0 HA PRO A 22 15.552 0.608 7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.925 -1.641 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.331 -1.600 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.036 -2.837 9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.832 -3.484 7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.242 -2.328 9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.785 -2.236 8.050 1.00 0.00 H new ATOM 300 N LYS A 23 13.578 1.262 8.592 1.00 0.00 N ATOM 301 CA LYS A 23 12.522 1.819 9.429 1.00 0.00 C ATOM 302 C LYS A 23 11.442 2.478 8.577 1.00 0.00 C ATOM 303 O LYS A 23 11.673 3.519 7.961 1.00 0.00 O ATOM 304 CB LYS A 23 13.105 2.840 10.409 1.00 0.00 C ATOM 305 CG LYS A 23 12.291 2.995 11.682 1.00 0.00 C ATOM 306 CD LYS A 23 11.071 3.873 11.460 1.00 0.00 C ATOM 307 CE LYS A 23 10.412 4.256 12.776 1.00 0.00 C ATOM 308 NZ LYS A 23 9.510 3.183 13.277 1.00 0.00 N ATOM 0 H LYS A 23 13.644 1.680 7.664 1.00 0.00 H new ATOM 0 HA LYS A 23 12.069 1.002 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.120 2.541 10.671 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.176 3.808 9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.975 2.013 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.915 3.428 12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.364 4.775 10.923 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.352 3.347 10.832 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.181 4.461 13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.843 5.176 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.080 3.482 14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.761 3.004 12.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.057 2.312 13.428 1.00 0.00 H new ATOM 322 N ILE A 24 10.264 1.865 8.546 1.00 0.00 N ATOM 323 CA ILE A 24 9.148 2.393 7.771 1.00 0.00 C ATOM 324 C ILE A 24 8.376 3.442 8.564 1.00 0.00 C ATOM 325 O ILE A 24 7.559 3.109 9.423 1.00 0.00 O ATOM 326 CB ILE A 24 8.180 1.275 7.342 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.911 0.238 6.487 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.999 1.859 6.582 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.175 -1.079 6.373 1.00 0.00 C ATOM 0 H ILE A 24 10.057 1.002 9.049 1.00 0.00 H new ATOM 0 HA ILE A 24 9.574 2.854 6.880 1.00 0.00 H new ATOM 0 HB ILE A 24 7.802 0.779 8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.065 0.646 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.898 0.058 6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.324 1.056 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.467 2.563 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.359 2.377 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.751 -1.765 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.044 -1.510 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.199 -0.912 5.918 1.00 0.00 H new ATOM 341 N ARG A 25 8.639 4.711 8.269 1.00 0.00 N ATOM 342 CA ARG A 25 7.968 5.810 8.954 1.00 0.00 C ATOM 343 C ARG A 25 6.543 5.984 8.436 1.00 0.00 C ATOM 344 O ARG A 25 6.326 6.553 7.365 1.00 0.00 O ATOM 345 CB ARG A 25 8.753 7.109 8.768 1.00 0.00 C ATOM 346 CG ARG A 25 10.195 7.023 9.241 1.00 0.00 C ATOM 347 CD ARG A 25 10.313 7.326 10.726 1.00 0.00 C ATOM 348 NE ARG A 25 10.031 8.728 11.023 1.00 0.00 N ATOM 349 CZ ARG A 25 10.184 9.270 12.226 1.00 0.00 C ATOM 350 NH1 ARG A 25 10.614 8.531 13.240 1.00 0.00 N ATOM 351 NH2 ARG A 25 9.906 10.553 12.418 1.00 0.00 N ATOM 0 H ARG A 25 9.312 5.004 7.560 1.00 0.00 H new ATOM 0 HA ARG A 25 7.923 5.570 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.741 7.383 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.249 7.909 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.586 6.026 9.040 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.807 7.726 8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.622 6.692 11.281 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.318 7.078 11.068 1.00 0.00 H new ATOM 0 HE ARG A 25 9.698 9.324 10.265 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.828 7.544 13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.731 8.950 14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.574 11.125 11.641 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.024 10.968 13.342 1.00 0.00 H new ATOM 365 N LEU A 26 5.576 5.491 9.201 1.00 0.00 N ATOM 366 CA LEU A 26 4.172 5.592 8.820 1.00 0.00 C ATOM 367 C LEU A 26 3.603 6.957 9.195 1.00 0.00 C ATOM 368 O LEU A 26 3.700 7.405 10.337 1.00 0.00 O ATOM 369 CB LEU A 26 3.359 4.486 9.494 1.00 0.00 C ATOM 370 CG LEU A 26 3.324 3.141 8.767 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.674 2.079 9.641 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.586 3.270 7.443 1.00 0.00 C ATOM 0 H LEU A 26 5.738 5.017 10.089 1.00 0.00 H new ATOM 0 HA LEU A 26 4.106 5.475 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.761 4.325 10.494 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.334 4.838 9.615 1.00 0.00 H new ATOM 0 HG LEU A 26 4.349 2.834 8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.658 1.129 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.244 1.968 10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.653 2.379 9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.571 2.304 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.563 3.599 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.094 4.000 6.813 1.00 0.00 H new ATOM 384 N PRO A 27 2.992 7.634 8.211 1.00 0.00 N ATOM 385 CA PRO A 27 2.392 8.956 8.414 1.00 0.00 C ATOM 386 C PRO A 27 1.141 8.898 9.284 1.00 0.00 C ATOM 387 O PRO A 27 0.884 7.896 9.952 1.00 0.00 O ATOM 388 CB PRO A 27 2.036 9.405 6.994 1.00 0.00 C ATOM 389 CG PRO A 27 1.866 8.139 6.228 1.00 0.00 C ATOM 390 CD PRO A 27 2.838 7.160 6.825 1.00 0.00 C ATOM 0 HA PRO A 27 3.068 9.635 8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.122 9.999 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.824 10.024 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.843 7.770 6.306 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.069 8.294 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.454 6.140 6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.789 7.162 6.292 1.00 0.00 H new ATOM 398 N ARG A 28 0.366 9.978 9.271 1.00 0.00 N ATOM 399 CA ARG A 28 -0.857 10.049 10.060 1.00 0.00 C ATOM 400 C ARG A 28 -2.082 9.785 9.189 1.00 0.00 C ATOM 401 O ARG A 28 -3.193 9.624 9.694 1.00 0.00 O ATOM 402 CB ARG A 28 -0.980 11.420 10.728 1.00 0.00 C ATOM 403 CG ARG A 28 -2.037 11.474 11.819 1.00 0.00 C ATOM 404 CD ARG A 28 -2.638 12.866 11.944 1.00 0.00 C ATOM 405 NE ARG A 28 -3.685 12.920 12.960 1.00 0.00 N ATOM 406 CZ ARG A 28 -3.441 13.019 14.262 1.00 0.00 C ATOM 407 NH1 ARG A 28 -2.192 13.074 14.704 1.00 0.00 N ATOM 408 NH2 ARG A 28 -4.448 13.063 15.125 1.00 0.00 N ATOM 0 H ARG A 28 0.564 10.815 8.723 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.807 9.280 10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.015 11.695 11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.216 12.165 9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.826 10.754 11.599 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.594 11.181 12.771 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.852 13.579 12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.050 13.171 10.982 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.657 12.879 12.653 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.415 13.040 14.044 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.008 13.150 15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.410 13.021 14.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.260 13.139 16.125 1.00 0.00 H new ATOM 422 N HIS A 29 -1.871 9.742 7.877 1.00 0.00 N ATOM 423 CA HIS A 29 -2.958 9.497 6.936 1.00 0.00 C ATOM 424 C HIS A 29 -3.003 8.027 6.528 1.00 0.00 C ATOM 425 O HIS A 29 -3.829 7.625 5.709 1.00 0.00 O ATOM 426 CB HIS A 29 -2.794 10.377 5.696 1.00 0.00 C ATOM 427 CG HIS A 29 -1.366 10.651 5.340 1.00 0.00 C ATOM 428 ND1 HIS A 29 -0.696 9.975 4.341 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.478 11.534 5.854 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.541 10.430 4.258 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.699 11.377 5.164 1.00 0.00 N ATOM 0 H HIS A 29 -0.958 9.874 7.442 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.897 9.748 7.430 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.284 9.894 4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.306 11.325 5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.661 12.232 6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.295 10.086 3.566 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.556 11.906 5.325 1.00 0.00 H new ATOM 440 N LEU A 30 -2.109 7.231 7.105 1.00 0.00 N ATOM 441 CA LEU A 30 -2.046 5.806 6.802 1.00 0.00 C ATOM 442 C LEU A 30 -2.269 4.971 8.059 1.00 0.00 C ATOM 443 O LEU A 30 -2.172 3.744 8.027 1.00 0.00 O ATOM 444 CB LEU A 30 -0.695 5.456 6.176 1.00 0.00 C ATOM 445 CG LEU A 30 -0.395 6.101 4.823 1.00 0.00 C ATOM 446 CD1 LEU A 30 1.006 5.736 4.356 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.430 5.679 3.790 1.00 0.00 C ATOM 0 H LEU A 30 -1.418 7.549 7.785 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.839 5.576 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.091 5.742 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.640 4.374 6.060 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.446 7.184 4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.201 6.204 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.736 6.088 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.086 4.653 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.201 6.148 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.411 4.595 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.421 5.992 4.119 1.00 0.00 H new ATOM 459 N ARG A 31 -2.569 5.645 9.164 1.00 0.00 N ATOM 460 CA ARG A 31 -2.807 4.965 10.432 1.00 0.00 C ATOM 461 C ARG A 31 -4.199 4.343 10.463 1.00 0.00 C ATOM 462 O ARG A 31 -4.493 3.499 11.310 1.00 0.00 O ATOM 463 CB ARG A 31 -2.648 5.944 11.597 1.00 0.00 C ATOM 464 CG ARG A 31 -1.284 6.612 11.650 1.00 0.00 C ATOM 465 CD ARG A 31 -1.086 7.374 12.951 1.00 0.00 C ATOM 466 NE ARG A 31 -0.779 6.482 14.066 1.00 0.00 N ATOM 467 CZ ARG A 31 0.363 5.814 14.180 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.303 5.937 13.253 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.568 5.021 15.224 1.00 0.00 N ATOM 0 H ARG A 31 -2.653 6.661 9.207 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.070 4.168 10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.417 6.713 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.819 5.412 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.504 5.858 11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.180 7.296 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.277 8.094 12.830 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.988 7.942 13.179 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.480 6.366 14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.150 6.546 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.179 5.423 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.152 4.924 15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.446 4.508 15.311 1.00 0.00 H new ATOM 483 N GLN A 32 -5.052 4.766 9.535 1.00 0.00 N ATOM 484 CA GLN A 32 -6.414 4.251 9.458 1.00 0.00 C ATOM 485 C GLN A 32 -6.797 3.942 8.014 1.00 0.00 C ATOM 486 O GLN A 32 -6.040 4.223 7.085 1.00 0.00 O ATOM 487 CB GLN A 32 -7.397 5.259 10.054 1.00 0.00 C ATOM 488 CG GLN A 32 -7.326 6.633 9.410 1.00 0.00 C ATOM 489 CD GLN A 32 -6.309 7.539 10.076 1.00 0.00 C ATOM 490 OE1 GLN A 32 -5.835 7.255 11.176 1.00 0.00 O ATOM 491 NE2 GLN A 32 -5.968 8.637 9.412 1.00 0.00 N ATOM 0 H GLN A 32 -4.824 5.464 8.827 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.460 3.326 10.033 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.410 4.870 9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.201 5.357 11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.073 6.523 8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.309 7.102 9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.386 8.833 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.288 9.284 9.811 1.00 0.00 H new ATOM 500 N THR A 33 -7.979 3.360 7.833 1.00 0.00 N ATOM 501 CA THR A 33 -8.463 3.011 6.503 1.00 0.00 C ATOM 502 C THR A 33 -8.518 4.237 5.598 1.00 0.00 C ATOM 503 O THR A 33 -9.281 5.170 5.848 1.00 0.00 O ATOM 504 CB THR A 33 -9.862 2.369 6.565 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.909 1.399 7.616 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.212 1.707 5.241 1.00 0.00 C ATOM 0 H THR A 33 -8.618 3.121 8.591 1.00 0.00 H new ATOM 0 HA THR A 33 -7.758 2.290 6.090 1.00 0.00 H new ATOM 0 HB THR A 33 -10.590 3.155 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.802 0.997 7.650 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.204 1.261 5.308 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.203 2.454 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.480 0.931 5.017 1.00 0.00 H new ATOM 514 N TYR A 34 -7.705 4.228 4.547 1.00 0.00 N ATOM 515 CA TYR A 34 -7.661 5.340 3.606 1.00 0.00 C ATOM 516 C TYR A 34 -9.023 5.557 2.954 1.00 0.00 C ATOM 517 O TYR A 34 -9.585 4.645 2.348 1.00 0.00 O ATOM 518 CB TYR A 34 -6.603 5.084 2.531 1.00 0.00 C ATOM 519 CG TYR A 34 -6.004 6.349 1.958 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.439 7.310 2.786 1.00 0.00 C ATOM 521 CD2 TYR A 34 -6.005 6.582 0.588 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.891 8.468 2.267 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.458 7.736 0.060 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.902 8.675 0.904 1.00 0.00 C ATOM 525 OH TYR A 34 -4.358 9.826 0.381 1.00 0.00 O ATOM 0 H TYR A 34 -7.068 3.463 4.326 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.396 6.241 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.806 4.474 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.051 4.505 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.428 7.150 3.854 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.440 5.849 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.457 9.206 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.466 7.902 -1.007 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.446 9.815 -0.595 1.00 0.00 H new ATOM 535 N ILE A 35 -9.546 6.772 3.082 1.00 0.00 N ATOM 536 CA ILE A 35 -10.841 7.110 2.504 1.00 0.00 C ATOM 537 C ILE A 35 -10.693 8.137 1.387 1.00 0.00 C ATOM 538 O ILE A 35 -10.207 9.246 1.610 1.00 0.00 O ATOM 539 CB ILE A 35 -11.806 7.663 3.570 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.834 6.741 4.791 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.202 7.823 2.988 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.377 5.361 4.494 1.00 0.00 C ATOM 0 H ILE A 35 -9.093 7.538 3.580 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.254 6.188 2.094 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.451 8.644 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.823 6.647 5.188 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.441 7.202 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.872 8.215 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.168 8.515 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.567 6.854 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.367 4.762 5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.399 5.444 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.756 4.881 3.738 1.00 0.00 H new ATOM 554 N ARG A 36 -11.116 7.761 0.185 1.00 0.00 N ATOM 555 CA ARG A 36 -11.032 8.649 -0.968 1.00 0.00 C ATOM 556 C ARG A 36 -12.193 8.407 -1.928 1.00 0.00 C ATOM 557 O ARG A 36 -12.874 7.384 -1.850 1.00 0.00 O ATOM 558 CB ARG A 36 -9.702 8.447 -1.697 1.00 0.00 C ATOM 559 CG ARG A 36 -8.581 9.332 -1.177 1.00 0.00 C ATOM 560 CD ARG A 36 -8.568 10.683 -1.874 1.00 0.00 C ATOM 561 NE ARG A 36 -7.346 11.432 -1.593 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.173 12.706 -1.926 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.137 13.370 -2.548 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.032 13.320 -1.636 1.00 0.00 N ATOM 0 H ARG A 36 -11.521 6.847 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.090 9.676 -0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.402 7.403 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.846 8.644 -2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.699 9.477 -0.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.623 8.834 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.664 10.537 -2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.432 11.265 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.584 10.951 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.015 12.903 -2.772 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.000 14.348 -2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.288 12.813 -1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.900 14.298 -1.892 1.00 0.00 H new ATOM 578 N LYS A 37 -12.413 9.354 -2.833 1.00 0.00 N ATOM 579 CA LYS A 37 -13.491 9.245 -3.809 1.00 0.00 C ATOM 580 C LYS A 37 -12.971 8.698 -5.134 1.00 0.00 C ATOM 581 O LYS A 37 -11.833 8.962 -5.523 1.00 0.00 O ATOM 582 CB LYS A 37 -14.146 10.610 -4.031 1.00 0.00 C ATOM 583 CG LYS A 37 -15.277 10.907 -3.061 1.00 0.00 C ATOM 584 CD LYS A 37 -16.310 11.835 -3.676 1.00 0.00 C ATOM 585 CE LYS A 37 -15.720 13.205 -3.978 1.00 0.00 C ATOM 586 NZ LYS A 37 -16.753 14.157 -4.472 1.00 0.00 N ATOM 0 H LYS A 37 -11.859 10.207 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.235 8.552 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.387 11.387 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.530 10.658 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.756 9.974 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.872 11.361 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.696 11.393 -4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.154 11.943 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.256 13.607 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.932 13.105 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.311 15.078 -4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.178 13.786 -5.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.492 14.273 -3.750 1.00 0.00 H new ATOM 600 N VAL A 38 -13.812 7.935 -5.825 1.00 0.00 N ATOM 601 CA VAL A 38 -13.438 7.353 -7.109 1.00 0.00 C ATOM 602 C VAL A 38 -13.036 8.433 -8.106 1.00 0.00 C ATOM 603 O VAL A 38 -13.494 9.572 -8.022 1.00 0.00 O ATOM 604 CB VAL A 38 -14.590 6.523 -7.705 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.133 5.802 -8.964 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.121 5.534 -6.678 1.00 0.00 C ATOM 0 H VAL A 38 -14.757 7.705 -5.517 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.586 6.699 -6.924 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.400 7.200 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.960 5.221 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.805 6.533 -9.703 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.306 5.135 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.935 4.956 -7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.320 4.860 -6.374 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.489 6.076 -5.807 1.00 0.00 H new ATOM 616 N GLY A 39 -12.175 8.068 -9.051 1.00 0.00 N ATOM 617 CA GLY A 39 -11.725 9.017 -10.052 1.00 0.00 C ATOM 618 C GLY A 39 -10.552 9.851 -9.574 1.00 0.00 C ATOM 619 O GLY A 39 -9.609 10.094 -10.327 1.00 0.00 O ATOM 0 H GLY A 39 -11.781 7.131 -9.141 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.440 8.479 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.550 9.676 -10.320 1.00 0.00 H new ATOM 623 N GLU A 40 -10.611 10.291 -8.321 1.00 0.00 N ATOM 624 CA GLU A 40 -9.547 11.104 -7.747 1.00 0.00 C ATOM 625 C GLU A 40 -8.214 10.361 -7.783 1.00 0.00 C ATOM 626 O GLU A 40 -8.162 9.149 -7.574 1.00 0.00 O ATOM 627 CB GLU A 40 -9.889 11.489 -6.306 1.00 0.00 C ATOM 628 CG GLU A 40 -10.706 12.765 -6.194 1.00 0.00 C ATOM 629 CD GLU A 40 -9.877 14.011 -6.433 1.00 0.00 C ATOM 630 OE1 GLU A 40 -8.722 14.056 -5.959 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.383 14.942 -7.094 1.00 0.00 O ATOM 0 H GLU A 40 -11.384 10.098 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.455 12.010 -8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.442 10.672 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.964 11.609 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.523 12.733 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.157 12.818 -5.203 1.00 0.00 H new ATOM 638 N GLN A 41 -7.140 11.097 -8.051 1.00 0.00 N ATOM 639 CA GLN A 41 -5.808 10.507 -8.116 1.00 0.00 C ATOM 640 C GLN A 41 -5.292 10.172 -6.721 1.00 0.00 C ATOM 641 O GLN A 41 -5.280 11.024 -5.831 1.00 0.00 O ATOM 642 CB GLN A 41 -4.839 11.462 -8.816 1.00 0.00 C ATOM 643 CG GLN A 41 -4.928 11.415 -10.333 1.00 0.00 C ATOM 644 CD GLN A 41 -4.576 12.741 -10.979 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.615 12.836 -11.744 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.353 13.773 -10.674 1.00 0.00 N ATOM 0 H GLN A 41 -7.166 12.101 -8.226 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.875 9.583 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.038 12.480 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.820 11.220 -8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.257 10.642 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.939 11.129 -10.625 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.139 13.649 -10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.164 14.690 -11.078 1.00 0.00 H new ATOM 655 N LEU A 42 -4.866 8.928 -6.536 1.00 0.00 N ATOM 656 CA LEU A 42 -4.349 8.479 -5.248 1.00 0.00 C ATOM 657 C LEU A 42 -2.905 8.930 -5.054 1.00 0.00 C ATOM 658 O LEU A 42 -2.144 9.037 -6.015 1.00 0.00 O ATOM 659 CB LEU A 42 -4.438 6.956 -5.142 1.00 0.00 C ATOM 660 CG LEU A 42 -5.842 6.376 -4.969 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.904 4.956 -5.511 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.255 6.408 -3.505 1.00 0.00 C ATOM 0 H LEU A 42 -4.868 8.212 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.959 8.927 -4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.996 6.523 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.827 6.634 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.541 6.990 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.911 4.560 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.652 4.960 -6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.194 4.329 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.257 5.991 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.553 5.818 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.251 7.438 -3.148 1.00 0.00 H new ATOM 674 N ASN A 43 -2.534 9.192 -3.805 1.00 0.00 N ATOM 675 CA ASN A 43 -1.180 9.630 -3.485 1.00 0.00 C ATOM 676 C ASN A 43 -0.761 9.136 -2.104 1.00 0.00 C ATOM 677 O ASN A 43 -1.242 9.631 -1.083 1.00 0.00 O ATOM 678 CB ASN A 43 -1.088 11.156 -3.543 1.00 0.00 C ATOM 679 CG ASN A 43 0.204 11.680 -2.949 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.293 11.375 -3.436 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.090 12.474 -1.891 1.00 0.00 N ATOM 0 H ASN A 43 -3.152 9.109 -2.998 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.502 9.204 -4.225 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.167 11.483 -4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.933 11.589 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.925 12.857 -1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.833 12.701 -1.520 1.00 0.00 H new ATOM 688 N LEU A 44 0.138 8.158 -2.079 1.00 0.00 N ATOM 689 CA LEU A 44 0.623 7.597 -0.822 1.00 0.00 C ATOM 690 C LEU A 44 2.148 7.563 -0.794 1.00 0.00 C ATOM 691 O LEU A 44 2.771 6.693 -1.402 1.00 0.00 O ATOM 692 CB LEU A 44 0.066 6.187 -0.622 1.00 0.00 C ATOM 693 CG LEU A 44 -1.458 6.061 -0.618 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.874 4.607 -0.782 1.00 0.00 C ATOM 695 CD2 LEU A 44 -2.037 6.642 0.664 1.00 0.00 C ATOM 0 H LEU A 44 0.546 7.737 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 44 0.277 8.236 -0.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.461 5.547 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.445 5.799 0.324 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.853 6.628 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.962 4.537 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.490 4.223 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.469 4.018 0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.123 6.544 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.635 6.103 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.769 7.696 0.740 1.00 0.00 H new ATOM 707 N VAL A 45 2.743 8.516 -0.083 1.00 0.00 N ATOM 708 CA VAL A 45 4.195 8.593 0.027 1.00 0.00 C ATOM 709 C VAL A 45 4.665 8.153 1.409 1.00 0.00 C ATOM 710 O VAL A 45 4.597 8.916 2.372 1.00 0.00 O ATOM 711 CB VAL A 45 4.703 10.021 -0.245 1.00 0.00 C ATOM 712 CG1 VAL A 45 4.134 10.994 0.777 1.00 0.00 C ATOM 713 CG2 VAL A 45 6.224 10.056 -0.237 1.00 0.00 C ATOM 0 H VAL A 45 2.242 9.245 0.425 1.00 0.00 H new ATOM 0 HA VAL A 45 4.606 7.920 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 45 4.360 10.328 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.504 11.998 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.046 10.989 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.444 10.693 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.566 11.073 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.590 9.730 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.607 9.391 -1.011 1.00 0.00 H new ATOM 723 N VAL A 46 5.142 6.915 1.499 1.00 0.00 N ATOM 724 CA VAL A 46 5.626 6.373 2.763 1.00 0.00 C ATOM 725 C VAL A 46 7.147 6.434 2.841 1.00 0.00 C ATOM 726 O VAL A 46 7.857 5.615 2.256 1.00 0.00 O ATOM 727 CB VAL A 46 5.171 4.914 2.959 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.196 4.540 4.433 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.783 4.707 2.371 1.00 0.00 C ATOM 0 H VAL A 46 5.203 6.269 0.712 1.00 0.00 H new ATOM 0 HA VAL A 46 5.200 6.989 3.555 1.00 0.00 H new ATOM 0 HB VAL A 46 5.866 4.260 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.872 3.506 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.210 4.649 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.525 5.197 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.476 3.671 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.075 5.369 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.802 4.932 1.305 1.00 0.00 H new ATOM 739 N PRO A 47 7.663 7.427 3.581 1.00 0.00 N ATOM 740 CA PRO A 47 9.106 7.618 3.754 1.00 0.00 C ATOM 741 C PRO A 47 9.737 6.523 4.607 1.00 0.00 C ATOM 742 O PRO A 47 9.160 6.087 5.603 1.00 0.00 O ATOM 743 CB PRO A 47 9.202 8.970 4.464 1.00 0.00 C ATOM 744 CG PRO A 47 7.899 9.120 5.173 1.00 0.00 C ATOM 745 CD PRO A 47 6.876 8.439 4.306 1.00 0.00 C ATOM 0 HA PRO A 47 9.639 7.581 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.038 8.991 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.361 9.780 3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.938 8.664 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.651 10.172 5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.085 7.982 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.397 9.141 3.623 1.00 0.00 H new ATOM 753 N PHE A 48 10.926 6.082 4.210 1.00 0.00 N ATOM 754 CA PHE A 48 11.636 5.036 4.938 1.00 0.00 C ATOM 755 C PHE A 48 13.046 5.491 5.304 1.00 0.00 C ATOM 756 O PHE A 48 13.570 6.446 4.731 1.00 0.00 O ATOM 757 CB PHE A 48 11.702 3.757 4.101 1.00 0.00 C ATOM 758 CG PHE A 48 12.067 3.998 2.664 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.389 4.178 2.292 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.087 4.045 1.685 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.728 4.401 0.971 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.420 4.267 0.362 1.00 0.00 C ATOM 763 CZ PHE A 48 12.742 4.445 0.005 1.00 0.00 C ATOM 0 H PHE A 48 11.418 6.432 3.388 1.00 0.00 H new ATOM 0 HA PHE A 48 11.088 4.832 5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 48 12.432 3.080 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.735 3.255 4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.164 4.144 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.052 3.907 1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.763 4.541 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.647 4.301 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.005 4.618 -1.028 1.00 0.00 H new ATOM 773 N GLN A 49 13.654 4.799 6.262 1.00 0.00 N ATOM 774 CA GLN A 49 15.003 5.131 6.706 1.00 0.00 C ATOM 775 C GLN A 49 15.922 3.918 6.611 1.00 0.00 C ATOM 776 O GLN A 49 15.467 2.776 6.667 1.00 0.00 O ATOM 777 CB GLN A 49 14.975 5.654 8.143 1.00 0.00 C ATOM 778 CG GLN A 49 14.246 6.979 8.295 1.00 0.00 C ATOM 779 CD GLN A 49 14.895 8.096 7.501 1.00 0.00 C ATOM 780 OE1 GLN A 49 14.299 8.641 6.572 1.00 0.00 O ATOM 781 NE2 GLN A 49 16.125 8.444 7.864 1.00 0.00 N ATOM 0 H GLN A 49 13.234 4.005 6.746 1.00 0.00 H new ATOM 0 HA GLN A 49 15.393 5.910 6.051 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.498 4.911 8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 49 15.999 5.769 8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.212 6.860 7.970 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.219 7.256 9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.582 7.966 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.612 9.189 7.366 1.00 0.00 H new ATOM 790 N GLY A 50 17.219 4.174 6.466 1.00 0.00 N ATOM 791 CA GLY A 50 18.181 3.093 6.365 1.00 0.00 C ATOM 792 C GLY A 50 19.356 3.444 5.473 1.00 0.00 C ATOM 793 O GLY A 50 19.341 4.466 4.787 1.00 0.00 O ATOM 0 H GLY A 50 17.620 5.111 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.547 2.842 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.685 2.205 5.974 1.00 0.00 H new ATOM 797 N LYS A 51 20.379 2.595 5.483 1.00 0.00 N ATOM 798 CA LYS A 51 21.568 2.820 4.670 1.00 0.00 C ATOM 799 C LYS A 51 22.244 1.499 4.317 1.00 0.00 C ATOM 800 O LYS A 51 22.111 0.498 5.023 1.00 0.00 O ATOM 801 CB LYS A 51 22.553 3.727 5.411 1.00 0.00 C ATOM 802 CG LYS A 51 22.108 5.178 5.483 1.00 0.00 C ATOM 803 CD LYS A 51 22.125 5.835 4.113 1.00 0.00 C ATOM 804 CE LYS A 51 21.702 7.294 4.190 1.00 0.00 C ATOM 805 NZ LYS A 51 22.541 8.065 5.149 1.00 0.00 N ATOM 0 H LYS A 51 20.408 1.745 6.046 1.00 0.00 H new ATOM 0 HA LYS A 51 21.259 3.308 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.692 3.348 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.523 3.677 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.102 5.231 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 51 22.763 5.727 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.126 5.767 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.457 5.296 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.773 7.746 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.657 7.354 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.400 9.083 4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.267 7.823 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.543 7.827 5.003 1.00 0.00 H new ATOM 819 N PRO A 52 22.988 1.493 3.201 1.00 0.00 N ATOM 820 CA PRO A 52 23.153 2.678 2.354 1.00 0.00 C ATOM 821 C PRO A 52 21.871 3.045 1.615 1.00 0.00 C ATOM 822 O PRO A 52 21.491 4.215 1.555 1.00 0.00 O ATOM 823 CB PRO A 52 24.240 2.256 1.362 1.00 0.00 C ATOM 824 CG PRO A 52 24.145 0.770 1.306 1.00 0.00 C ATOM 825 CD PRO A 52 23.724 0.329 2.681 1.00 0.00 C ATOM 0 HA PRO A 52 23.409 3.563 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.075 2.701 0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.227 2.577 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.420 0.453 0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.103 0.328 1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.095 -0.560 2.643 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.583 0.085 3.306 1.00 0.00 H new ATOM 833 N ARG A 53 21.207 2.039 1.054 1.00 0.00 N ATOM 834 CA ARG A 53 19.968 2.257 0.318 1.00 0.00 C ATOM 835 C ARG A 53 18.981 1.120 0.566 1.00 0.00 C ATOM 836 O ARG A 53 19.139 0.007 0.062 1.00 0.00 O ATOM 837 CB ARG A 53 20.254 2.381 -1.179 1.00 0.00 C ATOM 838 CG ARG A 53 19.169 3.117 -1.948 1.00 0.00 C ATOM 839 CD ARG A 53 18.092 2.163 -2.442 1.00 0.00 C ATOM 840 NE ARG A 53 18.611 1.212 -3.421 1.00 0.00 N ATOM 841 CZ ARG A 53 17.849 0.345 -4.079 1.00 0.00 C ATOM 842 NH1 ARG A 53 16.541 0.311 -3.864 1.00 0.00 N ATOM 843 NH2 ARG A 53 18.395 -0.488 -4.955 1.00 0.00 N ATOM 0 H ARG A 53 21.507 1.065 1.096 1.00 0.00 H new ATOM 0 HA ARG A 53 19.522 3.186 0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.202 2.901 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.373 1.383 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.719 3.876 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.612 3.638 -2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.673 1.619 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.278 2.735 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 53 19.613 1.213 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.118 0.951 -3.192 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.958 -0.355 -4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.401 -0.463 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.809 -1.153 -5.460 1.00 0.00 H new ATOM 857 N PRO A 54 17.939 1.402 1.361 1.00 0.00 N ATOM 858 CA PRO A 54 16.906 0.416 1.693 1.00 0.00 C ATOM 859 C PRO A 54 16.026 0.073 0.496 1.00 0.00 C ATOM 860 O PRO A 54 15.571 0.960 -0.225 1.00 0.00 O ATOM 861 CB PRO A 54 16.084 1.116 2.778 1.00 0.00 C ATOM 862 CG PRO A 54 16.288 2.571 2.530 1.00 0.00 C ATOM 863 CD PRO A 54 17.687 2.707 1.996 1.00 0.00 C ATOM 0 HA PRO A 54 17.336 -0.534 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.030 0.847 2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.422 0.833 3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.559 2.951 1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.163 3.145 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.766 3.524 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.403 2.911 2.792 1.00 0.00 H new ATOM 871 N GLN A 55 15.790 -1.219 0.292 1.00 0.00 N ATOM 872 CA GLN A 55 14.964 -1.679 -0.818 1.00 0.00 C ATOM 873 C GLN A 55 13.482 -1.547 -0.484 1.00 0.00 C ATOM 874 O GLN A 55 13.086 -1.636 0.678 1.00 0.00 O ATOM 875 CB GLN A 55 15.295 -3.132 -1.160 1.00 0.00 C ATOM 876 CG GLN A 55 14.525 -3.666 -2.357 1.00 0.00 C ATOM 877 CD GLN A 55 15.113 -3.213 -3.678 1.00 0.00 C ATOM 878 OE1 GLN A 55 15.150 -2.020 -3.978 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.578 -4.166 -4.477 1.00 0.00 N ATOM 0 H GLN A 55 16.159 -1.966 0.881 1.00 0.00 H new ATOM 0 HA GLN A 55 15.180 -1.052 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.363 -3.215 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.083 -3.758 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.516 -4.755 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.488 -3.337 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.527 -5.143 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.986 -3.921 -5.379 1.00 0.00 H new ATOM 888 N VAL A 56 12.666 -1.334 -1.511 1.00 0.00 N ATOM 889 CA VAL A 56 11.227 -1.190 -1.328 1.00 0.00 C ATOM 890 C VAL A 56 10.462 -2.228 -2.142 1.00 0.00 C ATOM 891 O VAL A 56 10.771 -2.468 -3.309 1.00 0.00 O ATOM 892 CB VAL A 56 10.747 0.217 -1.731 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.251 0.360 -1.492 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.521 1.282 -0.969 1.00 0.00 C ATOM 0 H VAL A 56 12.977 -1.257 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 56 11.027 -1.344 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 56 10.935 0.355 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.930 1.360 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.715 -0.380 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.035 0.202 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.169 2.270 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.366 1.148 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.583 1.192 -1.196 1.00 0.00 H new ATOM 904 N VAL A 57 9.462 -2.842 -1.518 1.00 0.00 N ATOM 905 CA VAL A 57 8.651 -3.854 -2.184 1.00 0.00 C ATOM 906 C VAL A 57 7.164 -3.583 -1.989 1.00 0.00 C ATOM 907 O VAL A 57 6.675 -3.531 -0.860 1.00 0.00 O ATOM 908 CB VAL A 57 8.977 -5.267 -1.664 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.176 -6.314 -2.422 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.469 -5.543 -1.773 1.00 0.00 C ATOM 0 H VAL A 57 9.194 -2.656 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 57 8.890 -3.802 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 57 8.696 -5.322 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.420 -7.305 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.111 -6.125 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.422 -6.263 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.682 -6.545 -1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.777 -5.470 -2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.019 -4.812 -1.180 1.00 0.00 H new ATOM 920 N TRP A 58 6.449 -3.412 -3.095 1.00 0.00 N ATOM 921 CA TRP A 58 5.016 -3.147 -3.045 1.00 0.00 C ATOM 922 C TRP A 58 4.222 -4.354 -3.532 1.00 0.00 C ATOM 923 O TRP A 58 4.567 -4.973 -4.539 1.00 0.00 O ATOM 924 CB TRP A 58 4.674 -1.920 -3.893 1.00 0.00 C ATOM 925 CG TRP A 58 4.996 -0.622 -3.217 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.118 0.136 -3.391 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.187 0.068 -2.258 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.055 1.257 -2.598 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.880 1.239 -1.894 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.943 -0.187 -1.674 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.371 2.149 -0.971 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.439 0.717 -0.758 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.151 1.873 -0.415 1.00 0.00 C ATOM 0 H TRP A 58 6.838 -3.452 -4.037 1.00 0.00 H new ATOM 0 HA TRP A 58 4.744 -2.951 -2.008 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.219 -1.975 -4.835 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.612 -1.941 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.935 -0.109 -4.054 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.768 1.985 -2.543 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.385 -1.075 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.919 3.040 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.480 0.529 -0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.729 2.561 0.303 1.00 0.00 H new ATOM 944 N THR A 59 3.155 -4.685 -2.811 1.00 0.00 N ATOM 945 CA THR A 59 2.312 -5.818 -3.169 1.00 0.00 C ATOM 946 C THR A 59 0.844 -5.523 -2.887 1.00 0.00 C ATOM 947 O THR A 59 0.515 -4.793 -1.951 1.00 0.00 O ATOM 948 CB THR A 59 2.724 -7.089 -2.402 1.00 0.00 C ATOM 949 OG1 THR A 59 2.905 -6.787 -1.014 1.00 0.00 O ATOM 950 CG2 THR A 59 4.010 -7.671 -2.970 1.00 0.00 C ATOM 0 H THR A 59 2.855 -4.184 -1.975 1.00 0.00 H new ATOM 0 HA THR A 59 2.447 -5.986 -4.237 1.00 0.00 H new ATOM 0 HB THR A 59 1.929 -7.827 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.165 -7.600 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.281 -8.568 -2.412 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.861 -7.927 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.810 -6.936 -2.886 1.00 0.00 H new ATOM 958 N LYS A 60 -0.037 -6.094 -3.701 1.00 0.00 N ATOM 959 CA LYS A 60 -1.472 -5.894 -3.539 1.00 0.00 C ATOM 960 C LYS A 60 -2.166 -7.202 -3.171 1.00 0.00 C ATOM 961 O LYS A 60 -2.631 -7.935 -4.042 1.00 0.00 O ATOM 962 CB LYS A 60 -2.078 -5.327 -4.825 1.00 0.00 C ATOM 963 CG LYS A 60 -3.585 -5.152 -4.762 1.00 0.00 C ATOM 964 CD LYS A 60 -3.978 -4.043 -3.801 1.00 0.00 C ATOM 965 CE LYS A 60 -5.474 -4.046 -3.527 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.956 -5.387 -3.096 1.00 0.00 N ATOM 0 H LYS A 60 0.218 -6.700 -4.481 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.624 -5.182 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.617 -4.363 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.832 -5.989 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.968 -4.925 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.048 -6.088 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.435 -4.163 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.685 -3.079 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.703 -3.312 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.009 -3.740 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.898 -5.295 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.014 -6.017 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.294 -5.787 -2.401 1.00 0.00 H new ATOM 980 N GLY A 61 -2.233 -7.487 -1.874 1.00 0.00 N ATOM 981 CA GLY A 61 -2.873 -8.706 -1.414 1.00 0.00 C ATOM 982 C GLY A 61 -2.017 -9.934 -1.650 1.00 0.00 C ATOM 983 O GLY A 61 -2.524 -10.989 -2.030 1.00 0.00 O ATOM 0 H GLY A 61 -1.856 -6.896 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.092 -8.619 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.827 -8.828 -1.927 1.00 0.00 H new ATOM 987 N GLY A 62 -0.713 -9.798 -1.426 1.00 0.00 N ATOM 988 CA GLY A 62 0.194 -10.913 -1.624 1.00 0.00 C ATOM 989 C GLY A 62 0.462 -11.190 -3.090 1.00 0.00 C ATOM 990 O GLY A 62 0.361 -12.330 -3.542 1.00 0.00 O ATOM 0 H GLY A 62 -0.269 -8.935 -1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.137 -10.704 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.226 -11.805 -1.160 1.00 0.00 H new ATOM 994 N ALA A 63 0.802 -10.144 -3.836 1.00 0.00 N ATOM 995 CA ALA A 63 1.085 -10.280 -5.259 1.00 0.00 C ATOM 996 C ALA A 63 1.571 -8.961 -5.851 1.00 0.00 C ATOM 997 O ALA A 63 1.275 -7.879 -5.344 1.00 0.00 O ATOM 998 CB ALA A 63 -0.152 -10.768 -5.999 1.00 0.00 C ATOM 0 H ALA A 63 0.888 -9.193 -3.478 1.00 0.00 H new ATOM 0 HA ALA A 63 1.880 -11.016 -5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.074 -10.865 -7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.455 -11.737 -5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.963 -10.052 -5.864 1.00 0.00 H new ATOM 1004 N PRO A 64 2.336 -9.050 -6.949 1.00 0.00 N ATOM 1005 CA PRO A 64 2.880 -7.873 -7.633 1.00 0.00 C ATOM 1006 C PRO A 64 1.798 -7.059 -8.334 1.00 0.00 C ATOM 1007 O PRO A 64 0.720 -7.571 -8.638 1.00 0.00 O ATOM 1008 CB PRO A 64 3.846 -8.473 -8.657 1.00 0.00 C ATOM 1009 CG PRO A 64 3.327 -9.847 -8.908 1.00 0.00 C ATOM 1010 CD PRO A 64 2.729 -10.307 -7.607 1.00 0.00 C ATOM 0 HA PRO A 64 3.352 -7.179 -6.938 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.867 -7.884 -9.574 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.865 -8.499 -8.272 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.580 -9.843 -9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.127 -10.514 -9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.872 -10.961 -7.768 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.449 -10.866 -7.009 1.00 0.00 H new ATOM 1018 N LEU A 65 2.091 -5.788 -8.588 1.00 0.00 N ATOM 1019 CA LEU A 65 1.143 -4.903 -9.254 1.00 0.00 C ATOM 1020 C LEU A 65 1.366 -4.902 -10.763 1.00 0.00 C ATOM 1021 O LEU A 65 2.321 -5.500 -11.260 1.00 0.00 O ATOM 1022 CB LEU A 65 1.273 -3.480 -8.707 1.00 0.00 C ATOM 1023 CG LEU A 65 1.449 -3.356 -7.193 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.249 -2.109 -6.849 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.095 -3.332 -6.499 1.00 0.00 C ATOM 0 H LEU A 65 2.978 -5.348 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 65 0.137 -5.272 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.124 -3.002 -9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.385 -2.918 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 65 2.001 -4.226 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.364 -2.037 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.232 -2.167 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.725 -1.227 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.240 -3.243 -5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.483 -2.481 -6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.443 -4.255 -6.718 1.00 0.00 H new ATOM 1037 N ASP A 66 0.481 -4.226 -11.486 1.00 0.00 N ATOM 1038 CA ASP A 66 0.583 -4.144 -12.939 1.00 0.00 C ATOM 1039 C ASP A 66 1.104 -2.777 -13.371 1.00 0.00 C ATOM 1040 O ASP A 66 0.338 -1.822 -13.506 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.779 -4.412 -13.583 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.179 -5.872 -13.506 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -0.318 -6.738 -13.770 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.352 -6.149 -13.181 1.00 0.00 O ATOM 0 H ASP A 66 -0.315 -3.727 -11.090 1.00 0.00 H new ATOM 0 HA ASP A 66 1.290 -4.904 -13.273 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.537 -3.804 -13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.751 -4.101 -14.627 1.00 0.00 H new ATOM 1049 N THR A 67 2.413 -2.690 -13.586 1.00 0.00 N ATOM 1050 CA THR A 67 3.037 -1.440 -14.001 1.00 0.00 C ATOM 1051 C THR A 67 2.391 -0.896 -15.270 1.00 0.00 C ATOM 1052 O THR A 67 2.589 0.263 -15.632 1.00 0.00 O ATOM 1053 CB THR A 67 4.548 -1.620 -14.245 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.763 -2.398 -15.427 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.210 -2.300 -13.056 1.00 0.00 C ATOM 0 H THR A 67 3.061 -3.470 -13.480 1.00 0.00 H new ATOM 0 HA THR A 67 2.889 -0.729 -13.188 1.00 0.00 H new ATOM 0 HB THR A 67 4.994 -0.634 -14.374 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.725 -2.507 -15.577 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.276 -2.417 -13.251 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.069 -1.691 -12.163 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.760 -3.281 -12.901 1.00 0.00 H new ATOM 1063 N SER A 68 1.615 -1.741 -15.941 1.00 0.00 N ATOM 1064 CA SER A 68 0.941 -1.346 -17.172 1.00 0.00 C ATOM 1065 C SER A 68 -0.086 -0.251 -16.902 1.00 0.00 C ATOM 1066 O SER A 68 -0.536 0.434 -17.820 1.00 0.00 O ATOM 1067 CB SER A 68 0.257 -2.554 -17.815 1.00 0.00 C ATOM 1068 OG SER A 68 -0.391 -3.352 -16.840 1.00 0.00 O ATOM 0 H SER A 68 1.438 -2.703 -15.653 1.00 0.00 H new ATOM 0 HA SER A 68 1.692 -0.955 -17.858 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.470 -2.214 -18.553 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.996 -3.153 -18.348 1.00 0.00 H new ATOM 0 HG SER A 68 -0.822 -4.116 -17.277 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.453 -0.092 -15.634 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.427 0.919 -15.241 1.00 0.00 C ATOM 1076 C ARG A 69 -0.951 1.684 -14.010 1.00 0.00 C ATOM 1077 O ARG A 69 -1.090 2.905 -13.932 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.782 0.268 -14.958 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.271 -0.635 -16.079 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.775 -0.849 -16.006 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.296 -1.481 -17.215 1.00 0.00 N ATOM 1082 CZ ARG A 69 -5.068 -2.749 -17.538 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -4.332 -3.516 -16.746 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -5.578 -3.252 -18.655 1.00 0.00 N ATOM 0 H ARG A 69 -0.090 -0.651 -14.862 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.535 1.624 -16.065 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.711 -0.314 -14.039 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.522 1.050 -14.784 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.011 -0.195 -17.042 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.762 -1.597 -16.021 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.012 -1.469 -15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.271 0.110 -15.855 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.866 -0.918 -17.846 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.939 -3.133 -15.886 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.158 -4.489 -16.996 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.145 -2.665 -19.266 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.402 -4.226 -18.902 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.388 0.958 -13.049 1.00 0.00 N ATOM 1099 CA VAL A 70 0.109 1.567 -11.822 1.00 0.00 C ATOM 1100 C VAL A 70 1.509 2.139 -12.020 1.00 0.00 C ATOM 1101 O VAL A 70 2.384 1.484 -12.587 1.00 0.00 O ATOM 1102 CB VAL A 70 0.141 0.552 -10.664 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.524 1.239 -9.362 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.204 -0.147 -10.532 1.00 0.00 C ATOM 0 H VAL A 70 -0.265 -0.053 -13.097 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.578 2.374 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 70 0.897 -0.202 -10.885 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.541 0.506 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.511 1.689 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.206 2.015 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.164 -0.861 -9.709 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.980 0.592 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.433 -0.674 -11.458 1.00 0.00 H new ATOM 1114 N HIS A 71 1.713 3.365 -11.549 1.00 0.00 N ATOM 1115 CA HIS A 71 3.008 4.026 -11.674 1.00 0.00 C ATOM 1116 C HIS A 71 3.594 4.335 -10.300 1.00 0.00 C ATOM 1117 O HIS A 71 3.234 5.329 -9.669 1.00 0.00 O ATOM 1118 CB HIS A 71 2.870 5.315 -12.485 1.00 0.00 C ATOM 1119 CG HIS A 71 2.541 5.083 -13.927 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.473 4.668 -14.855 1.00 0.00 N ATOM 1121 CD2 HIS A 71 1.373 5.208 -14.600 1.00 0.00 C ATOM 1122 CE1 HIS A 71 2.894 4.550 -16.036 1.00 0.00 C ATOM 1123 NE2 HIS A 71 1.619 4.871 -15.909 1.00 0.00 N ATOM 0 H HIS A 71 0.999 3.921 -11.078 1.00 0.00 H new ATOM 0 HA HIS A 71 3.686 3.349 -12.195 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.092 5.934 -12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.801 5.877 -12.419 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.424 5.515 -14.185 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.380 4.243 -16.950 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.929 4.869 -16.660 1.00 0.00 H new ATOM 1132 N VAL A 72 4.500 3.477 -9.841 1.00 0.00 N ATOM 1133 CA VAL A 72 5.137 3.659 -8.543 1.00 0.00 C ATOM 1134 C VAL A 72 6.521 4.281 -8.691 1.00 0.00 C ATOM 1135 O VAL A 72 7.398 3.718 -9.345 1.00 0.00 O ATOM 1136 CB VAL A 72 5.265 2.322 -7.788 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.861 2.543 -6.406 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.912 1.634 -7.690 1.00 0.00 C ATOM 0 H VAL A 72 4.809 2.649 -10.350 1.00 0.00 H new ATOM 0 HA VAL A 72 4.499 4.332 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 72 5.938 1.672 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.943 1.587 -5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.851 2.989 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.217 3.211 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.021 0.691 -7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.214 2.278 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.529 1.439 -8.692 1.00 0.00 H new ATOM 1148 N ARG A 73 6.709 5.445 -8.079 1.00 0.00 N ATOM 1149 CA ARG A 73 7.986 6.145 -8.143 1.00 0.00 C ATOM 1150 C ARG A 73 8.808 5.894 -6.882 1.00 0.00 C ATOM 1151 O ARG A 73 8.613 6.553 -5.860 1.00 0.00 O ATOM 1152 CB ARG A 73 7.761 7.646 -8.328 1.00 0.00 C ATOM 1153 CG ARG A 73 7.258 8.021 -9.713 1.00 0.00 C ATOM 1154 CD ARG A 73 7.391 9.514 -9.969 1.00 0.00 C ATOM 1155 NE ARG A 73 6.575 10.302 -9.049 1.00 0.00 N ATOM 1156 CZ ARG A 73 6.452 11.623 -9.123 1.00 0.00 C ATOM 1157 NH1 ARG A 73 7.088 12.299 -10.069 1.00 0.00 N ATOM 1158 NH2 ARG A 73 5.691 12.269 -8.249 1.00 0.00 N ATOM 0 H ARG A 73 5.993 5.924 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 73 8.540 5.760 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.043 7.991 -7.584 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.697 8.171 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.820 7.470 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.214 7.725 -9.815 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.436 9.807 -9.869 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.095 9.734 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 73 6.072 9.812 -8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.674 11.805 -10.743 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.992 13.313 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.200 11.752 -7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.597 13.283 -8.306 1.00 0.00 H new ATOM 1172 N THR A 74 9.727 4.937 -6.961 1.00 0.00 N ATOM 1173 CA THR A 74 10.577 4.598 -5.827 1.00 0.00 C ATOM 1174 C THR A 74 11.894 5.363 -5.878 1.00 0.00 C ATOM 1175 O THR A 74 12.628 5.288 -6.863 1.00 0.00 O ATOM 1176 CB THR A 74 10.875 3.087 -5.780 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.661 2.343 -5.932 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.548 2.709 -4.469 1.00 0.00 C ATOM 0 H THR A 74 9.902 4.383 -7.799 1.00 0.00 H new ATOM 0 HA THR A 74 10.031 4.881 -4.927 1.00 0.00 H new ATOM 0 HB THR A 74 11.552 2.847 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.859 1.384 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.749 1.638 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.486 3.255 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.892 2.963 -3.637 1.00 0.00 H new ATOM 1186 N SER A 75 12.188 6.099 -4.811 1.00 0.00 N ATOM 1187 CA SER A 75 13.417 6.881 -4.736 1.00 0.00 C ATOM 1188 C SER A 75 14.235 6.491 -3.509 1.00 0.00 C ATOM 1189 O SER A 75 13.683 6.202 -2.447 1.00 0.00 O ATOM 1190 CB SER A 75 13.093 8.375 -4.694 1.00 0.00 C ATOM 1191 OG SER A 75 12.681 8.771 -3.397 1.00 0.00 O ATOM 0 H SER A 75 11.592 6.170 -3.986 1.00 0.00 H new ATOM 0 HA SER A 75 14.008 6.670 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.970 8.949 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.306 8.600 -5.414 1.00 0.00 H new ATOM 0 HG SER A 75 11.936 8.206 -3.104 1.00 0.00 H new ATOM 1197 N ASP A 76 15.554 6.485 -3.663 1.00 0.00 N ATOM 1198 CA ASP A 76 16.451 6.132 -2.568 1.00 0.00 C ATOM 1199 C ASP A 76 16.009 6.798 -1.268 1.00 0.00 C ATOM 1200 O ASP A 76 16.291 6.302 -0.177 1.00 0.00 O ATOM 1201 CB ASP A 76 17.886 6.541 -2.903 1.00 0.00 C ATOM 1202 CG ASP A 76 18.726 6.775 -1.663 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.513 7.805 -0.988 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.595 5.930 -1.367 1.00 0.00 O ATOM 0 H ASP A 76 16.027 6.721 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 76 16.412 5.051 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.350 5.764 -3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.871 7.450 -3.505 1.00 0.00 H new ATOM 1209 N PHE A 77 15.317 7.925 -1.393 1.00 0.00 N ATOM 1210 CA PHE A 77 14.838 8.661 -0.228 1.00 0.00 C ATOM 1211 C PHE A 77 13.559 8.037 0.322 1.00 0.00 C ATOM 1212 O PHE A 77 13.554 7.463 1.411 1.00 0.00 O ATOM 1213 CB PHE A 77 14.589 10.126 -0.591 1.00 0.00 C ATOM 1214 CG PHE A 77 15.844 10.887 -0.910 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.750 11.205 0.088 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.117 11.284 -2.209 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.906 11.904 -0.202 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.272 11.983 -2.506 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.167 12.295 -1.501 1.00 0.00 C ATOM 0 H PHE A 77 15.075 8.349 -2.289 1.00 0.00 H new ATOM 0 HA PHE A 77 15.606 8.611 0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.919 10.170 -1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.078 10.615 0.238 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.550 10.903 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.420 11.045 -2.998 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.605 12.144 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.475 12.285 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.069 12.843 -1.730 1.00 0.00 H new ATOM 1229 N ASP A 78 12.477 8.153 -0.440 1.00 0.00 N ATOM 1230 CA ASP A 78 11.191 7.600 -0.030 1.00 0.00 C ATOM 1231 C ASP A 78 10.425 7.056 -1.233 1.00 0.00 C ATOM 1232 O ASP A 78 10.762 7.348 -2.381 1.00 0.00 O ATOM 1233 CB ASP A 78 10.357 8.666 0.682 1.00 0.00 C ATOM 1234 CG ASP A 78 10.305 9.971 -0.088 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.343 9.926 -1.336 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.226 11.037 0.557 1.00 0.00 O ATOM 0 H ASP A 78 12.465 8.625 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 78 11.380 6.778 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.343 8.293 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.775 8.848 1.672 1.00 0.00 H new ATOM 1241 N THR A 79 9.393 6.264 -0.962 1.00 0.00 N ATOM 1242 CA THR A 79 8.581 5.678 -2.020 1.00 0.00 C ATOM 1243 C THR A 79 7.310 6.487 -2.251 1.00 0.00 C ATOM 1244 O THR A 79 6.781 7.107 -1.328 1.00 0.00 O ATOM 1245 CB THR A 79 8.197 4.222 -1.693 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.447 3.658 -2.776 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.378 4.153 -0.413 1.00 0.00 C ATOM 0 H THR A 79 9.100 6.014 -0.018 1.00 0.00 H new ATOM 0 HA THR A 79 9.186 5.692 -2.926 1.00 0.00 H new ATOM 0 HB THR A 79 9.114 3.651 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.036 3.102 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.119 3.115 -0.203 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.962 4.556 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.466 4.738 -0.533 1.00 0.00 H new ATOM 1255 N VAL A 80 6.824 6.477 -3.488 1.00 0.00 N ATOM 1256 CA VAL A 80 5.613 7.210 -3.839 1.00 0.00 C ATOM 1257 C VAL A 80 4.654 6.335 -4.638 1.00 0.00 C ATOM 1258 O VAL A 80 5.055 5.664 -5.590 1.00 0.00 O ATOM 1259 CB VAL A 80 5.938 8.474 -4.656 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.693 9.327 -4.839 1.00 0.00 C ATOM 1261 CG2 VAL A 80 7.046 9.271 -3.984 1.00 0.00 C ATOM 0 H VAL A 80 7.250 5.970 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 80 5.139 7.504 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 80 6.287 8.168 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.943 10.216 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.932 8.752 -5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.310 9.626 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.263 10.161 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.726 9.567 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.943 8.656 -3.911 1.00 0.00 H new ATOM 1271 N PHE A 81 3.384 6.347 -4.247 1.00 0.00 N ATOM 1272 CA PHE A 81 2.366 5.554 -4.926 1.00 0.00 C ATOM 1273 C PHE A 81 1.247 6.445 -5.457 1.00 0.00 C ATOM 1274 O PHE A 81 0.693 7.266 -4.726 1.00 0.00 O ATOM 1275 CB PHE A 81 1.790 4.502 -3.976 1.00 0.00 C ATOM 1276 CG PHE A 81 0.689 3.682 -4.586 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.976 2.697 -5.517 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.632 3.897 -4.229 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.034 1.940 -6.080 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.646 3.143 -4.788 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.347 2.164 -5.716 1.00 0.00 C ATOM 0 H PHE A 81 3.035 6.898 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 81 2.837 5.051 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.592 3.837 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.410 4.999 -3.083 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.001 2.519 -5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.872 4.662 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.203 1.174 -6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.672 3.319 -4.500 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.138 1.575 -6.156 1.00 0.00 H new ATOM 1291 N PHE A 82 0.920 6.276 -6.734 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.132 7.066 -7.364 1.00 0.00 C ATOM 1293 C PHE A 82 -0.898 6.233 -8.388 1.00 0.00 C ATOM 1294 O PHE A 82 -0.338 5.337 -9.020 1.00 0.00 O ATOM 1295 CB PHE A 82 0.464 8.303 -8.039 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.383 8.842 -9.156 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.484 8.160 -10.358 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.077 10.031 -9.005 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.261 8.654 -11.388 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.857 10.531 -10.031 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.949 9.841 -11.224 1.00 0.00 C ATOM 0 H PHE A 82 1.368 5.600 -7.353 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.827 7.384 -6.587 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.604 9.083 -7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.451 8.054 -8.429 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.051 7.231 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.008 10.574 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.331 8.113 -12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.393 11.459 -9.900 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.558 10.229 -12.027 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.183 6.535 -8.546 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.026 5.815 -9.493 1.00 0.00 C ATOM 1313 C VAL A 83 -3.937 6.772 -10.254 1.00 0.00 C ATOM 1314 O VAL A 83 -4.624 7.600 -9.655 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.890 4.756 -8.783 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.786 4.041 -9.783 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.010 3.764 -8.038 1.00 0.00 C ATOM 0 H VAL A 83 -2.663 7.273 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.359 5.316 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.527 5.259 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.389 3.296 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.441 4.765 -10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.171 3.548 -10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.637 3.023 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.347 3.264 -8.744 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.415 4.293 -7.293 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.939 6.652 -11.578 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.766 7.507 -12.421 1.00 0.00 C ATOM 1329 C ARG A 84 -6.138 7.728 -11.791 1.00 0.00 C ATOM 1330 O ARG A 84 -6.514 8.859 -11.484 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.925 6.887 -13.811 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.503 7.843 -14.841 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.576 9.022 -15.090 1.00 0.00 C ATOM 1334 NE ARG A 84 -4.699 9.538 -16.450 1.00 0.00 N ATOM 1335 CZ ARG A 84 -3.872 10.436 -16.974 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -2.866 10.915 -16.254 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -4.050 10.857 -18.219 1.00 0.00 N ATOM 0 H ARG A 84 -3.377 5.971 -12.090 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.269 8.473 -12.515 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.952 6.538 -14.157 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.570 6.012 -13.738 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.675 7.311 -15.776 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.472 8.207 -14.498 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.802 9.817 -14.379 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.545 8.717 -14.910 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.462 9.190 -17.030 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.726 10.594 -15.296 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.232 11.604 -16.658 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.823 10.491 -18.775 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.414 11.547 -18.620 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.880 6.642 -11.603 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.210 6.719 -11.012 1.00 0.00 C ATOM 1353 C GLN A 85 -8.380 5.671 -9.917 1.00 0.00 C ATOM 1354 O GLN A 85 -8.046 4.502 -10.106 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.281 6.529 -12.087 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.198 7.545 -13.215 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.083 7.184 -14.392 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.980 6.091 -14.949 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -10.960 8.104 -14.777 1.00 0.00 N ATOM 0 H GLN A 85 -6.583 5.698 -11.851 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.325 7.707 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.191 5.526 -12.505 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.265 6.593 -11.623 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.485 8.526 -12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.165 7.623 -13.553 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.011 8.997 -14.286 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.582 7.918 -15.563 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.902 6.098 -8.772 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.118 5.196 -7.647 1.00 0.00 C ATOM 1370 C ALA A 86 -10.421 4.420 -7.809 1.00 0.00 C ATOM 1371 O ALA A 86 -11.472 4.847 -7.332 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.124 5.974 -6.340 1.00 0.00 C ATOM 0 H ALA A 86 -9.183 7.063 -8.599 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.298 4.478 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.286 5.288 -5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.166 6.478 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.924 6.714 -6.361 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.344 3.278 -8.484 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.517 2.442 -8.707 1.00 0.00 C ATOM 1380 C ALA A 87 -11.944 1.741 -7.422 1.00 0.00 C ATOM 1381 O ALA A 87 -11.260 1.825 -6.402 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.237 1.420 -9.800 1.00 0.00 C ATOM 0 H ALA A 87 -9.482 2.911 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.336 3.086 -9.028 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.122 0.803 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.988 1.937 -10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.401 0.787 -9.501 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.078 1.050 -7.479 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.597 0.337 -6.318 1.00 0.00 C ATOM 1390 C ARG A 88 -12.713 -0.859 -5.975 1.00 0.00 C ATOM 1391 O ARG A 88 -12.789 -1.404 -4.874 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.029 -0.133 -6.579 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.925 0.945 -7.168 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.626 1.743 -6.080 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.150 3.010 -6.581 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.191 3.102 -7.401 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -18.816 2.006 -7.809 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -18.609 4.292 -7.814 1.00 0.00 N ATOM 0 H ARG A 88 -13.655 0.969 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.596 1.024 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.005 -0.985 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.464 -0.484 -5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.330 1.616 -7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.668 0.486 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.443 1.152 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.928 1.936 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.692 3.872 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.498 1.090 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.615 2.079 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.131 5.137 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.408 4.361 -8.444 1.00 0.00 H new ATOM 1412 N SER A 89 -11.876 -1.261 -6.926 1.00 0.00 N ATOM 1413 CA SER A 89 -10.980 -2.395 -6.727 1.00 0.00 C ATOM 1414 C SER A 89 -9.695 -1.956 -6.032 1.00 0.00 C ATOM 1415 O SER A 89 -9.230 -2.605 -5.095 1.00 0.00 O ATOM 1416 CB SER A 89 -10.650 -3.053 -8.068 1.00 0.00 C ATOM 1417 OG SER A 89 -11.638 -4.003 -8.427 1.00 0.00 O ATOM 0 H SER A 89 -11.799 -0.819 -7.842 1.00 0.00 H new ATOM 0 HA SER A 89 -11.487 -3.120 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.576 -2.290 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.677 -3.541 -8.008 1.00 0.00 H new ATOM 0 HG SER A 89 -11.405 -4.408 -9.288 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.125 -0.850 -6.499 1.00 0.00 N ATOM 1424 CA ASP A 90 -7.894 -0.323 -5.924 1.00 0.00 C ATOM 1425 C ASP A 90 -7.854 -0.557 -4.417 1.00 0.00 C ATOM 1426 O ASP A 90 -6.786 -0.747 -3.836 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.765 1.171 -6.223 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.635 1.455 -7.707 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.248 0.718 -8.508 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.921 2.414 -8.067 1.00 0.00 O ATOM 0 H ASP A 90 -9.497 -0.301 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.055 -0.851 -6.378 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.637 1.694 -5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.894 1.569 -5.702 1.00 0.00 H new ATOM 1435 N SER A 91 -9.026 -0.542 -3.790 1.00 0.00 N ATOM 1436 CA SER A 91 -9.125 -0.748 -2.349 1.00 0.00 C ATOM 1437 C SER A 91 -8.582 -2.119 -1.958 1.00 0.00 C ATOM 1438 O SER A 91 -8.716 -3.088 -2.703 1.00 0.00 O ATOM 1439 CB SER A 91 -10.579 -0.614 -1.892 1.00 0.00 C ATOM 1440 OG SER A 91 -10.823 -1.391 -0.733 1.00 0.00 O ATOM 0 H SER A 91 -9.920 -0.389 -4.257 1.00 0.00 H new ATOM 0 HA SER A 91 -8.524 0.016 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.804 0.432 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.246 -0.931 -2.693 1.00 0.00 H new ATOM 0 HG SER A 91 -10.274 -1.056 0.007 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.966 -2.191 -0.782 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.411 -3.446 -0.311 1.00 0.00 C ATOM 1448 C GLY A 92 -6.382 -3.250 0.785 1.00 0.00 C ATOM 1449 O GLY A 92 -6.534 -2.377 1.638 1.00 0.00 O ATOM 0 H GLY A 92 -7.842 -1.402 -0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.217 -4.079 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.951 -3.973 -1.147 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.333 -4.066 0.763 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.277 -3.979 1.764 1.00 0.00 C ATOM 1455 C GLU A 93 -2.900 -4.004 1.107 1.00 0.00 C ATOM 1456 O GLU A 93 -2.438 -5.049 0.647 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.396 -5.130 2.766 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.855 -4.795 4.145 1.00 0.00 C ATOM 1459 CD GLU A 93 -3.324 -6.013 4.875 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -2.381 -6.650 4.360 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -3.851 -6.330 5.962 1.00 0.00 O ATOM 0 H GLU A 93 -5.192 -4.794 0.063 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.392 -3.033 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.444 -5.415 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.862 -5.997 2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.058 -4.057 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.645 -4.336 4.739 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.250 -2.847 1.065 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.928 -2.734 0.461 1.00 0.00 C ATOM 1470 C TYR A 94 0.165 -3.037 1.482 1.00 0.00 C ATOM 1471 O TYR A 94 0.260 -2.380 2.518 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.726 -1.333 -0.118 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.463 -1.103 -1.418 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.822 -1.367 -1.525 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.799 -0.620 -2.539 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.499 -1.159 -2.711 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.468 -0.407 -3.729 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.818 -0.679 -3.810 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.489 -0.469 -4.993 1.00 0.00 O ATOM 0 H TYR A 94 -2.617 -1.973 1.442 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.861 -3.465 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.057 -0.596 0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.339 -1.166 -0.279 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.359 -1.741 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.258 -0.407 -2.479 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.556 -1.371 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.937 -0.030 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.422 -0.238 -4.803 1.00 0.00 H new ATOM 1489 N GLU A 95 0.988 -4.036 1.179 1.00 0.00 N ATOM 1490 CA GLU A 95 2.074 -4.427 2.070 1.00 0.00 C ATOM 1491 C GLU A 95 3.389 -3.784 1.639 1.00 0.00 C ATOM 1492 O GLU A 95 3.805 -3.906 0.486 1.00 0.00 O ATOM 1493 CB GLU A 95 2.222 -5.950 2.093 1.00 0.00 C ATOM 1494 CG GLU A 95 2.758 -6.489 3.408 1.00 0.00 C ATOM 1495 CD GLU A 95 2.593 -7.992 3.533 1.00 0.00 C ATOM 1496 OE1 GLU A 95 1.446 -8.473 3.420 1.00 0.00 O ATOM 1497 OE2 GLU A 95 3.610 -8.685 3.743 1.00 0.00 O ATOM 0 H GLU A 95 0.923 -4.589 0.324 1.00 0.00 H new ATOM 0 HA GLU A 95 1.830 -4.078 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.252 -6.404 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.889 -6.254 1.286 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.814 -6.234 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.241 -6.001 4.234 1.00 0.00 H new ATOM 1504 N LEU A 96 4.039 -3.097 2.573 1.00 0.00 N ATOM 1505 CA LEU A 96 5.307 -2.433 2.291 1.00 0.00 C ATOM 1506 C LEU A 96 6.412 -2.963 3.199 1.00 0.00 C ATOM 1507 O LEU A 96 6.416 -2.709 4.403 1.00 0.00 O ATOM 1508 CB LEU A 96 5.164 -0.921 2.472 1.00 0.00 C ATOM 1509 CG LEU A 96 6.467 -0.141 2.650 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.134 0.100 1.304 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.205 1.179 3.361 1.00 0.00 C ATOM 0 H LEU A 96 3.709 -2.985 3.532 1.00 0.00 H new ATOM 0 HA LEU A 96 5.579 -2.645 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.639 -0.519 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.532 -0.737 3.341 1.00 0.00 H new ATOM 0 HG LEU A 96 7.142 -0.735 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.060 0.656 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.357 -0.857 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.464 0.673 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.143 1.721 3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.511 1.778 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.772 0.984 4.342 1.00 0.00 H new ATOM 1523 N SER A 97 7.351 -3.700 2.612 1.00 0.00 N ATOM 1524 CA SER A 97 8.461 -4.267 3.368 1.00 0.00 C ATOM 1525 C SER A 97 9.797 -3.758 2.835 1.00 0.00 C ATOM 1526 O SER A 97 10.032 -3.744 1.626 1.00 0.00 O ATOM 1527 CB SER A 97 8.422 -5.795 3.303 1.00 0.00 C ATOM 1528 OG SER A 97 7.340 -6.310 4.059 1.00 0.00 O ATOM 0 H SER A 97 7.364 -3.918 1.616 1.00 0.00 H new ATOM 0 HA SER A 97 8.360 -3.952 4.407 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.330 -6.116 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.360 -6.202 3.681 1.00 0.00 H new ATOM 0 HG SER A 97 7.238 -7.267 3.874 1.00 0.00 H new ATOM 1534 N VAL A 98 10.670 -3.340 3.746 1.00 0.00 N ATOM 1535 CA VAL A 98 11.983 -2.830 3.369 1.00 0.00 C ATOM 1536 C VAL A 98 13.050 -3.911 3.503 1.00 0.00 C ATOM 1537 O VAL A 98 13.350 -4.367 4.605 1.00 0.00 O ATOM 1538 CB VAL A 98 12.384 -1.619 4.232 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.780 -1.140 3.865 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.368 -0.497 4.079 1.00 0.00 C ATOM 0 H VAL A 98 10.492 -3.344 4.750 1.00 0.00 H new ATOM 0 HA VAL A 98 11.914 -2.517 2.327 1.00 0.00 H new ATOM 0 HB VAL A 98 12.396 -1.927 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.046 -0.284 4.485 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.496 -1.945 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.800 -0.848 2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.667 0.351 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.322 -0.188 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.387 -0.849 4.397 1.00 0.00 H new ATOM 1550 N GLN A 99 13.620 -4.315 2.372 1.00 0.00 N ATOM 1551 CA GLN A 99 14.655 -5.342 2.363 1.00 0.00 C ATOM 1552 C GLN A 99 16.044 -4.716 2.406 1.00 0.00 C ATOM 1553 O GLN A 99 16.417 -3.947 1.520 1.00 0.00 O ATOM 1554 CB GLN A 99 14.518 -6.223 1.119 1.00 0.00 C ATOM 1555 CG GLN A 99 15.021 -7.643 1.321 1.00 0.00 C ATOM 1556 CD GLN A 99 14.606 -8.574 0.199 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.147 -8.514 -0.905 1.00 0.00 O ATOM 1558 NE2 GLN A 99 13.640 -9.442 0.477 1.00 0.00 N ATOM 0 H GLN A 99 13.383 -3.947 1.451 1.00 0.00 H new ATOM 0 HA GLN A 99 14.527 -5.959 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.470 -6.257 0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.068 -5.765 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.108 -7.632 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.641 -8.028 2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.219 -9.457 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.319 -10.094 -0.239 1.00 0.00 H new ATOM 1567 N ILE A 100 16.806 -5.050 3.443 1.00 0.00 N ATOM 1568 CA ILE A 100 18.155 -4.520 3.601 1.00 0.00 C ATOM 1569 C ILE A 100 19.194 -5.633 3.528 1.00 0.00 C ATOM 1570 O ILE A 100 18.877 -6.806 3.723 1.00 0.00 O ATOM 1571 CB ILE A 100 18.313 -3.772 4.938 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.198 -2.738 5.104 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.678 -3.105 5.013 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.416 -1.479 4.294 1.00 0.00 C ATOM 0 H ILE A 100 16.512 -5.685 4.185 1.00 0.00 H new ATOM 0 HA ILE A 100 18.317 -3.820 2.781 1.00 0.00 H new ATOM 0 HB ILE A 100 18.237 -4.493 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.249 -3.188 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.114 -2.472 6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.775 -2.580 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.458 -3.863 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.781 -2.393 4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.587 -0.791 4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.348 -1.005 4.602 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.470 -1.732 3.235 1.00 0.00 H new ATOM 1586 N GLU A 101 20.438 -5.257 3.247 1.00 0.00 N ATOM 1587 CA GLU A 101 21.525 -6.224 3.149 1.00 0.00 C ATOM 1588 C GLU A 101 21.307 -7.386 4.114 1.00 0.00 C ATOM 1589 O GLU A 101 21.326 -8.549 3.715 1.00 0.00 O ATOM 1590 CB GLU A 101 22.866 -5.548 3.441 1.00 0.00 C ATOM 1591 CG GLU A 101 23.433 -4.784 2.257 1.00 0.00 C ATOM 1592 CD GLU A 101 24.947 -4.706 2.283 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.481 -3.752 2.888 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.598 -5.598 1.700 1.00 0.00 O ATOM 0 H GLU A 101 20.718 -4.290 3.083 1.00 0.00 H new ATOM 0 HA GLU A 101 21.538 -6.616 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.743 -4.863 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.585 -6.306 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.114 -5.265 1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 101 23.021 -3.775 2.250 1.00 0.00 H new ATOM 1601 N ASN A 102 21.101 -7.060 5.386 1.00 0.00 N ATOM 1602 CA ASN A 102 20.881 -8.076 6.409 1.00 0.00 C ATOM 1603 C ASN A 102 19.602 -7.793 7.191 1.00 0.00 C ATOM 1604 O ASN A 102 18.951 -8.710 7.690 1.00 0.00 O ATOM 1605 CB ASN A 102 22.074 -8.134 7.365 1.00 0.00 C ATOM 1606 CG ASN A 102 23.344 -8.595 6.677 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.773 -8.009 5.683 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.953 -9.651 7.205 1.00 0.00 N ATOM 0 H ASN A 102 21.082 -6.101 5.733 1.00 0.00 H new ATOM 0 HA ASN A 102 20.776 -9.040 5.911 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.237 -7.147 7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.844 -8.810 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.812 -10.007 6.786 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.562 -10.106 8.030 1.00 0.00 H new ATOM 1615 N MET A 103 19.247 -6.516 7.292 1.00 0.00 N ATOM 1616 CA MET A 103 18.045 -6.112 8.012 1.00 0.00 C ATOM 1617 C MET A 103 16.819 -6.186 7.107 1.00 0.00 C ATOM 1618 O MET A 103 16.941 -6.255 5.883 1.00 0.00 O ATOM 1619 CB MET A 103 18.205 -4.692 8.558 1.00 0.00 C ATOM 1620 CG MET A 103 19.206 -4.588 9.697 1.00 0.00 C ATOM 1621 SD MET A 103 18.731 -5.572 11.131 1.00 0.00 S ATOM 1622 CE MET A 103 17.412 -4.568 11.809 1.00 0.00 C ATOM 0 H MET A 103 19.774 -5.744 6.885 1.00 0.00 H new ATOM 0 HA MET A 103 17.902 -6.800 8.845 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.519 -4.033 7.748 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.236 -4.333 8.903 1.00 0.00 H new ATOM 0 HG2 MET A 103 20.185 -4.914 9.346 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.305 -3.544 9.994 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.110 -4.969 12.777 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.762 -3.543 11.934 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.560 -4.580 11.130 1.00 0.00 H new ATOM 1632 N LYS A 104 15.638 -6.172 7.715 1.00 0.00 N ATOM 1633 CA LYS A 104 14.390 -6.236 6.965 1.00 0.00 C ATOM 1634 C LYS A 104 13.224 -5.718 7.802 1.00 0.00 C ATOM 1635 O LYS A 104 13.115 -6.027 8.989 1.00 0.00 O ATOM 1636 CB LYS A 104 14.112 -7.674 6.520 1.00 0.00 C ATOM 1637 CG LYS A 104 12.965 -7.794 5.532 1.00 0.00 C ATOM 1638 CD LYS A 104 12.397 -9.203 5.506 1.00 0.00 C ATOM 1639 CE LYS A 104 11.392 -9.420 6.627 1.00 0.00 C ATOM 1640 NZ LYS A 104 12.046 -9.916 7.869 1.00 0.00 N ATOM 0 H LYS A 104 15.519 -6.117 8.727 1.00 0.00 H new ATOM 0 HA LYS A 104 14.492 -5.602 6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.014 -8.086 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.889 -8.280 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.178 -7.088 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.312 -7.522 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.916 -9.385 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.208 -9.925 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.875 -8.484 6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.636 -10.136 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.409 -10.578 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.931 -10.404 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.256 -9.113 8.495 1.00 0.00 H new ATOM 1654 N ASP A 105 12.356 -4.931 7.177 1.00 0.00 N ATOM 1655 CA ASP A 105 11.197 -4.373 7.864 1.00 0.00 C ATOM 1656 C ASP A 105 9.908 -4.722 7.127 1.00 0.00 C ATOM 1657 O ASP A 105 9.934 -5.119 5.961 1.00 0.00 O ATOM 1658 CB ASP A 105 11.334 -2.855 7.987 1.00 0.00 C ATOM 1659 CG ASP A 105 12.059 -2.439 9.251 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.951 -3.190 9.698 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.735 -1.362 9.794 1.00 0.00 O ATOM 0 H ASP A 105 12.433 -4.665 6.195 1.00 0.00 H new ATOM 0 HA ASP A 105 11.152 -4.809 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.872 -2.470 7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.343 -2.402 7.974 1.00 0.00 H new ATOM 1666 N THR A 106 8.780 -4.573 7.814 1.00 0.00 N ATOM 1667 CA THR A 106 7.481 -4.875 7.227 1.00 0.00 C ATOM 1668 C THR A 106 6.451 -3.813 7.595 1.00 0.00 C ATOM 1669 O THR A 106 6.629 -3.071 8.560 1.00 0.00 O ATOM 1670 CB THR A 106 6.965 -6.253 7.681 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.977 -6.334 9.111 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.819 -7.369 7.098 1.00 0.00 C ATOM 0 H THR A 106 8.740 -4.245 8.779 1.00 0.00 H new ATOM 0 HA THR A 106 7.618 -4.885 6.146 1.00 0.00 H new ATOM 0 HB THR A 106 5.944 -6.371 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.646 -7.213 9.392 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.436 -8.333 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.785 -7.323 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.849 -7.252 7.434 1.00 0.00 H new ATOM 1680 N ALA A 107 5.374 -3.746 6.819 1.00 0.00 N ATOM 1681 CA ALA A 107 4.314 -2.776 7.066 1.00 0.00 C ATOM 1682 C ALA A 107 3.053 -3.130 6.285 1.00 0.00 C ATOM 1683 O ALA A 107 3.121 -3.750 5.223 1.00 0.00 O ATOM 1684 CB ALA A 107 4.786 -1.376 6.704 1.00 0.00 C ATOM 0 H ALA A 107 5.213 -4.352 6.014 1.00 0.00 H new ATOM 0 HA ALA A 107 4.071 -2.802 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.985 -0.662 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.654 -1.117 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.058 -1.345 5.649 1.00 0.00 H new ATOM 1690 N THR A 108 1.901 -2.733 6.817 1.00 0.00 N ATOM 1691 CA THR A 108 0.625 -3.010 6.170 1.00 0.00 C ATOM 1692 C THR A 108 -0.218 -1.745 6.054 1.00 0.00 C ATOM 1693 O THR A 108 -0.391 -1.012 7.028 1.00 0.00 O ATOM 1694 CB THR A 108 -0.175 -4.078 6.940 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.620 -5.256 7.112 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.458 -4.429 6.203 1.00 0.00 C ATOM 0 H THR A 108 1.826 -2.218 7.695 1.00 0.00 H new ATOM 0 HA THR A 108 0.851 -3.386 5.172 1.00 0.00 H new ATOM 0 HB THR A 108 -0.436 -3.671 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.105 -5.929 7.604 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.006 -5.185 6.766 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.074 -3.536 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.215 -4.818 5.214 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.741 -1.496 4.858 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.568 -0.321 4.616 1.00 0.00 C ATOM 1706 C ILE A 109 -2.932 -0.713 4.058 1.00 0.00 C ATOM 1707 O ILE A 109 -3.028 -1.545 3.155 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.887 0.655 3.639 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.411 1.194 4.243 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.829 1.798 3.289 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.342 1.812 3.224 1.00 0.00 C ATOM 0 H ILE A 109 -0.606 -2.093 4.042 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.701 0.174 5.578 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.643 0.117 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.168 1.940 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.930 0.382 4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.333 2.479 2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.729 1.398 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.101 2.337 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.241 2.172 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.616 1.064 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.841 2.646 2.732 1.00 0.00 H new ATOM 1723 N ARG A 110 -3.983 -0.107 4.599 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.342 -0.393 4.154 1.00 0.00 C ATOM 1725 C ARG A 110 -5.925 0.792 3.390 1.00 0.00 C ATOM 1726 O ARG A 110 -5.811 1.939 3.824 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.233 -0.729 5.351 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.141 -2.181 5.791 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.167 -3.046 5.075 1.00 0.00 C ATOM 1730 NE ARG A 110 -8.458 -3.040 5.756 1.00 0.00 N ATOM 1731 CZ ARG A 110 -9.476 -3.821 5.410 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -9.352 -4.666 4.396 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -10.620 -3.757 6.078 1.00 0.00 N ATOM 0 H ARG A 110 -3.920 0.585 5.346 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.305 -1.252 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.960 -0.087 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.268 -0.500 5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -5.139 -2.561 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -6.296 -2.247 6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.294 -2.687 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.796 -4.069 5.010 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.586 -2.401 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.474 -4.718 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -10.135 -5.264 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.719 -3.108 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -11.401 -4.357 5.811 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.547 0.507 2.251 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.147 1.550 1.427 1.00 0.00 C ATOM 1749 C ILE A 111 -8.607 1.235 1.120 1.00 0.00 C ATOM 1750 O ILE A 111 -8.981 0.073 0.959 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.382 1.730 0.103 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.905 2.020 0.376 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.004 2.850 -0.719 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.029 1.906 -0.852 1.00 0.00 C ATOM 0 H ILE A 111 -6.649 -0.437 1.878 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.090 2.477 1.998 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.451 0.804 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.811 3.025 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.542 1.329 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.453 2.966 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.043 2.606 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.962 3.782 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.996 2.125 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.093 0.894 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.366 2.617 -1.607 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.427 2.278 1.038 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.846 2.113 0.749 1.00 0.00 C ATOM 1768 C ARG A 112 -11.330 3.182 -0.226 1.00 0.00 C ATOM 1769 O ARG A 112 -11.031 4.365 -0.066 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.662 2.179 2.041 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.163 2.251 1.810 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.929 2.251 3.124 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.296 1.763 2.960 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.039 1.309 3.963 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.550 1.281 5.195 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.274 0.881 3.735 1.00 0.00 N ATOM 0 H ARG A 112 -9.133 3.246 1.168 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.986 1.135 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.438 1.302 2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.349 3.051 2.614 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.403 3.153 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.480 1.403 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.406 1.627 3.849 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.951 3.262 3.531 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.702 1.771 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.601 1.609 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.123 0.932 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.654 0.900 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.844 0.533 4.506 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.080 2.756 -1.238 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.606 3.676 -2.239 1.00 0.00 C ATOM 1792 C VAL A 113 -14.127 3.745 -2.177 1.00 0.00 C ATOM 1793 O VAL A 113 -14.812 2.732 -2.327 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.179 3.264 -3.661 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -13.009 3.998 -4.702 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.695 3.525 -3.868 1.00 0.00 C ATOM 0 H VAL A 113 -12.337 1.780 -1.386 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.191 4.659 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.356 2.195 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.693 3.694 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.063 3.754 -4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.867 5.073 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.411 3.228 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.490 4.587 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.120 2.947 -3.144 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.652 4.946 -1.956 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.094 5.147 -1.875 1.00 0.00 C ATOM 1808 C VAL A 114 -16.662 5.593 -3.218 1.00 0.00 C ATOM 1809 O VAL A 114 -16.034 6.362 -3.944 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.455 6.194 -0.805 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.973 5.745 0.566 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.869 7.550 -1.167 1.00 0.00 C ATOM 0 H VAL A 114 -14.100 5.795 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.533 4.189 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.540 6.291 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.237 6.498 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.445 4.798 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.891 5.618 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.134 8.277 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.784 7.471 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.268 7.874 -2.128 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.855 5.103 -3.542 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.508 5.451 -4.798 1.00 0.00 C ATOM 1824 C GLU A 115 -18.801 6.947 -4.863 1.00 0.00 C ATOM 1825 O GLU A 115 -19.278 7.541 -3.896 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.806 4.658 -4.960 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.678 3.194 -4.573 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.916 2.389 -4.920 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.398 2.505 -6.065 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.401 1.642 -4.044 1.00 0.00 O ATOM 0 H GLU A 115 -18.388 4.464 -2.952 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.831 5.196 -5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.582 5.120 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.135 4.723 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.815 2.762 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.489 3.120 -3.502 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.511 7.552 -6.010 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.743 8.978 -6.204 1.00 0.00 C ATOM 1839 C LYS A 116 -20.189 9.243 -6.613 1.00 0.00 C ATOM 1840 O LYS A 116 -20.462 10.129 -7.422 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.792 9.531 -7.268 1.00 0.00 C ATOM 1842 CG LYS A 116 -17.936 8.857 -8.621 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.953 9.572 -9.495 1.00 0.00 C ATOM 1844 CE LYS A 116 -18.613 9.435 -10.971 1.00 0.00 C ATOM 1845 NZ LYS A 116 -19.216 10.529 -11.782 1.00 0.00 N ATOM 0 H LYS A 116 -18.114 7.076 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.552 9.483 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.971 10.600 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.765 9.415 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.970 8.840 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.240 7.820 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.946 9.162 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.988 10.627 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.530 9.444 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.969 8.472 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.961 10.400 -12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.251 10.505 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.857 11.446 -11.449 1.00 0.00 H new ATOM 1859 N ALA A 117 -21.110 8.472 -6.046 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.528 8.626 -6.349 1.00 0.00 C ATOM 1861 C ALA A 117 -22.977 10.070 -6.152 1.00 0.00 C ATOM 1862 O ALA A 117 -22.584 10.727 -5.189 1.00 0.00 O ATOM 1863 CB ALA A 117 -23.358 7.691 -5.482 1.00 0.00 C ATOM 0 H ALA A 117 -20.900 7.734 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 117 -22.681 8.364 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -24.414 7.817 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -23.063 6.659 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -23.192 7.926 -4.431 1.00 0.00 H new ATOM 1869 N GLY A 118 -23.802 10.559 -7.073 1.00 0.00 N ATOM 1870 CA GLY A 118 -24.290 11.923 -6.982 1.00 0.00 C ATOM 1871 C GLY A 118 -23.183 12.946 -7.142 1.00 0.00 C ATOM 1872 O GLY A 118 -22.030 12.680 -6.806 1.00 0.00 O ATOM 0 H GLY A 118 -24.141 10.035 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -25.046 12.087 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -24.778 12.068 -6.018 1.00 0.00 H new TER 1876 GLY A 118