USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot 128:sc= 0.169 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.168 X(o=0.34,f=-0.0054) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0519 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 56:sc= -0.259 USER MOD Single : A 13 THR OG1 : rot 34:sc= 0.0885 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 151:sc= -3.62! USER MOD Single : A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 30 MET CE :methyl -134:sc= -0.323 (180deg=-2.44!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.291 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.083) USER MOD Single : A 52 THR OG1 : rot -38:sc= -0.234 USER MOD Single : A 53 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 31:sc= 0.045 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 64:sc= 0.368 USER MOD Single : A 92 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 99 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 30:sc= 1.09 USER MOD Single : A 108 SER OG : rot -102:sc= -1.55! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -173:sc= 0.00305 USER MOD Single : A 121 SER OG : rot -57:sc= 0.0601 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.037 -9.039 -39.548 1.00 0.00 N ATOM 2 CA GLY A 1 -13.359 -9.921 -38.617 1.00 0.00 C ATOM 3 C GLY A 1 -12.507 -9.164 -37.617 1.00 0.00 C ATOM 4 O GLY A 1 -12.725 -7.976 -37.379 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.050 -9.273 -39.573 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.917 -8.052 -39.241 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.630 -9.158 -40.498 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.098 -10.517 -38.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.730 -10.617 -39.173 1.00 0.00 H new ATOM 8 N SER A 2 -11.534 -9.853 -37.029 1.00 0.00 N ATOM 9 CA SER A 2 -10.650 -9.239 -36.045 1.00 0.00 C ATOM 10 C SER A 2 -9.187 -9.500 -36.392 1.00 0.00 C ATOM 11 O SER A 2 -8.882 -10.262 -37.309 1.00 0.00 O ATOM 12 CB SER A 2 -10.958 -9.777 -34.646 1.00 0.00 C ATOM 13 OG SER A 2 -10.446 -11.088 -34.479 1.00 0.00 O ATOM 0 H SER A 2 -11.338 -10.836 -37.217 1.00 0.00 H new ATOM 0 HA SER A 2 -10.822 -8.163 -36.059 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.525 -9.116 -33.895 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.036 -9.781 -34.484 1.00 0.00 H new ATOM 0 HG SER A 2 -10.655 -11.408 -33.577 1.00 0.00 H new ATOM 19 N SER A 3 -8.287 -8.860 -35.652 1.00 0.00 N ATOM 20 CA SER A 3 -6.856 -9.018 -35.883 1.00 0.00 C ATOM 21 C SER A 3 -6.373 -10.377 -35.384 1.00 0.00 C ATOM 22 O SER A 3 -7.062 -11.052 -34.622 1.00 0.00 O ATOM 23 CB SER A 3 -6.079 -7.900 -35.185 1.00 0.00 C ATOM 24 OG SER A 3 -6.250 -6.665 -35.857 1.00 0.00 O ATOM 0 H SER A 3 -8.524 -8.227 -34.888 1.00 0.00 H new ATOM 0 HA SER A 3 -6.677 -8.959 -36.957 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.418 -7.806 -34.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.020 -8.155 -35.151 1.00 0.00 H new ATOM 0 HG SER A 3 -5.745 -5.966 -35.391 1.00 0.00 H new ATOM 30 N GLY A 4 -5.181 -10.771 -35.822 1.00 0.00 N ATOM 31 CA GLY A 4 -4.624 -12.047 -35.411 1.00 0.00 C ATOM 32 C GLY A 4 -4.016 -11.994 -34.024 1.00 0.00 C ATOM 33 O GLY A 4 -4.492 -12.660 -33.104 1.00 0.00 O ATOM 0 H GLY A 4 -4.591 -10.230 -36.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.407 -12.805 -35.433 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.862 -12.355 -36.127 1.00 0.00 H new ATOM 37 N SER A 5 -2.960 -11.201 -33.871 1.00 0.00 N ATOM 38 CA SER A 5 -2.283 -11.068 -32.587 1.00 0.00 C ATOM 39 C SER A 5 -2.518 -9.684 -31.989 1.00 0.00 C ATOM 40 O SER A 5 -3.022 -8.784 -32.660 1.00 0.00 O ATOM 41 CB SER A 5 -0.782 -11.318 -32.750 1.00 0.00 C ATOM 42 OG SER A 5 -0.524 -12.669 -33.090 1.00 0.00 O ATOM 0 H SER A 5 -2.555 -10.641 -34.621 1.00 0.00 H new ATOM 0 HA SER A 5 -2.697 -11.813 -31.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.383 -10.662 -33.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.266 -11.068 -31.823 1.00 0.00 H new ATOM 0 HG SER A 5 0.442 -12.802 -33.190 1.00 0.00 H new ATOM 48 N SER A 6 -2.149 -9.523 -30.723 1.00 0.00 N ATOM 49 CA SER A 6 -2.322 -8.251 -30.032 1.00 0.00 C ATOM 50 C SER A 6 -0.979 -7.698 -29.565 1.00 0.00 C ATOM 51 O SER A 6 -0.635 -6.551 -29.846 1.00 0.00 O ATOM 52 CB SER A 6 -3.261 -8.420 -28.835 1.00 0.00 C ATOM 53 OG SER A 6 -3.308 -7.239 -28.054 1.00 0.00 O ATOM 0 H SER A 6 -1.728 -10.258 -30.154 1.00 0.00 H new ATOM 0 HA SER A 6 -2.762 -7.542 -30.733 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.263 -8.668 -29.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.924 -9.254 -28.219 1.00 0.00 H new ATOM 0 HG SER A 6 -3.916 -7.372 -27.297 1.00 0.00 H new ATOM 59 N GLY A 7 -0.223 -8.525 -28.849 1.00 0.00 N ATOM 60 CA GLY A 7 1.074 -8.103 -28.353 1.00 0.00 C ATOM 61 C GLY A 7 2.103 -9.215 -28.400 1.00 0.00 C ATOM 62 O GLY A 7 3.009 -9.199 -29.233 1.00 0.00 O ATOM 0 H GLY A 7 -0.486 -9.480 -28.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.429 -7.259 -28.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.970 -7.752 -27.326 1.00 0.00 H new ATOM 66 N THR A 8 1.965 -10.185 -27.501 1.00 0.00 N ATOM 67 CA THR A 8 2.891 -11.309 -27.440 1.00 0.00 C ATOM 68 C THR A 8 4.331 -10.845 -27.628 1.00 0.00 C ATOM 69 O THR A 8 5.044 -11.343 -28.500 1.00 0.00 O ATOM 70 CB THR A 8 2.560 -12.367 -28.510 1.00 0.00 C ATOM 71 OG1 THR A 8 2.085 -11.729 -29.700 1.00 0.00 O ATOM 72 CG2 THR A 8 1.512 -13.344 -27.999 1.00 0.00 C ATOM 0 H THR A 8 1.220 -10.214 -26.805 1.00 0.00 H new ATOM 0 HA THR A 8 2.782 -11.756 -26.452 1.00 0.00 H new ATOM 0 HB THR A 8 3.471 -12.921 -28.735 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.746 -11.073 -30.005 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.295 -14.081 -28.772 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.889 -13.850 -27.110 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.600 -12.802 -27.748 1.00 0.00 H new ATOM 80 N ILE A 9 4.752 -9.891 -26.805 1.00 0.00 N ATOM 81 CA ILE A 9 6.109 -9.362 -26.881 1.00 0.00 C ATOM 82 C ILE A 9 6.922 -9.757 -25.653 1.00 0.00 C ATOM 83 O ILE A 9 6.382 -10.294 -24.686 1.00 0.00 O ATOM 84 CB ILE A 9 6.108 -7.828 -27.010 1.00 0.00 C ATOM 85 CG1 ILE A 9 5.157 -7.208 -25.985 1.00 0.00 C ATOM 86 CG2 ILE A 9 5.717 -7.415 -28.422 1.00 0.00 C ATOM 87 CD1 ILE A 9 5.471 -5.763 -25.665 1.00 0.00 C ATOM 0 H ILE A 9 4.174 -9.469 -26.078 1.00 0.00 H new ATOM 0 HA ILE A 9 6.567 -9.793 -27.771 1.00 0.00 H new ATOM 0 HB ILE A 9 7.115 -7.461 -26.811 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.136 -7.275 -26.362 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.196 -7.792 -25.065 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.721 -6.328 -28.497 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.431 -7.831 -29.133 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.719 -7.791 -28.648 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.756 -5.389 -24.932 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.480 -5.691 -25.258 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.403 -5.166 -26.574 1.00 0.00 H new ATOM 99 N GLU A 10 8.222 -9.486 -25.698 1.00 0.00 N ATOM 100 CA GLU A 10 9.109 -9.813 -24.588 1.00 0.00 C ATOM 101 C GLU A 10 9.591 -8.547 -23.886 1.00 0.00 C ATOM 102 O GLU A 10 9.966 -7.570 -24.533 1.00 0.00 O ATOM 103 CB GLU A 10 10.309 -10.621 -25.086 1.00 0.00 C ATOM 104 CG GLU A 10 11.330 -10.926 -24.002 1.00 0.00 C ATOM 105 CD GLU A 10 12.733 -11.096 -24.552 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.423 -10.072 -24.741 1.00 0.00 O ATOM 107 OE2 GLU A 10 13.140 -12.251 -24.794 1.00 0.00 O ATOM 0 H GLU A 10 8.684 -9.041 -26.491 1.00 0.00 H new ATOM 0 HA GLU A 10 8.547 -10.414 -23.872 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.953 -11.559 -25.512 1.00 0.00 H new ATOM 0 HB3 GLU A 10 10.798 -10.071 -25.890 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.327 -10.120 -23.268 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.037 -11.836 -23.478 1.00 0.00 H new ATOM 114 N ALA A 11 9.577 -8.572 -22.557 1.00 0.00 N ATOM 115 CA ALA A 11 10.014 -7.428 -21.767 1.00 0.00 C ATOM 116 C ALA A 11 10.872 -7.871 -20.587 1.00 0.00 C ATOM 117 O ALA A 11 11.026 -9.066 -20.333 1.00 0.00 O ATOM 118 CB ALA A 11 8.811 -6.634 -21.278 1.00 0.00 C ATOM 0 H ALA A 11 9.268 -9.372 -22.005 1.00 0.00 H new ATOM 0 HA ALA A 11 10.623 -6.788 -22.406 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.152 -5.782 -20.689 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.238 -6.277 -22.134 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.180 -7.273 -20.660 1.00 0.00 H new ATOM 124 N ARG A 12 11.430 -6.901 -19.870 1.00 0.00 N ATOM 125 CA ARG A 12 12.275 -7.192 -18.718 1.00 0.00 C ATOM 126 C ARG A 12 11.432 -7.601 -17.514 1.00 0.00 C ATOM 127 O ARG A 12 10.801 -6.762 -16.869 1.00 0.00 O ATOM 128 CB ARG A 12 13.130 -5.974 -18.365 1.00 0.00 C ATOM 129 CG ARG A 12 14.373 -5.831 -19.228 1.00 0.00 C ATOM 130 CD ARG A 12 15.079 -4.508 -18.973 1.00 0.00 C ATOM 131 NE ARG A 12 16.310 -4.386 -19.750 1.00 0.00 N ATOM 132 CZ ARG A 12 17.459 -4.953 -19.401 1.00 0.00 C ATOM 133 NH1 ARG A 12 17.535 -5.677 -18.293 1.00 0.00 N ATOM 134 NH2 ARG A 12 18.536 -4.796 -20.160 1.00 0.00 N ATOM 0 H ARG A 12 11.312 -5.907 -20.066 1.00 0.00 H new ATOM 0 HA ARG A 12 12.929 -8.023 -18.981 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.523 -5.074 -18.465 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.430 -6.042 -17.319 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.057 -6.655 -19.023 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.097 -5.900 -20.280 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.409 -3.685 -19.224 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.310 -4.419 -17.911 1.00 0.00 H new ATOM 0 HE ARG A 12 16.286 -3.835 -20.608 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.710 -5.800 -17.706 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.419 -6.111 -18.027 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.482 -4.239 -21.013 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.418 -5.232 -19.891 1.00 0.00 H new ATOM 148 N THR A 13 11.423 -8.897 -17.216 1.00 0.00 N ATOM 149 CA THR A 13 10.656 -9.418 -16.092 1.00 0.00 C ATOM 150 C THR A 13 11.530 -10.270 -15.178 1.00 0.00 C ATOM 151 O THR A 13 12.264 -11.142 -15.641 1.00 0.00 O ATOM 152 CB THR A 13 9.459 -10.260 -16.571 1.00 0.00 C ATOM 153 OG1 THR A 13 9.914 -11.317 -17.424 1.00 0.00 O ATOM 154 CG2 THR A 13 8.453 -9.397 -17.316 1.00 0.00 C ATOM 0 H THR A 13 11.939 -9.605 -17.738 1.00 0.00 H new ATOM 0 HA THR A 13 10.285 -8.557 -15.536 1.00 0.00 H new ATOM 0 HB THR A 13 8.969 -10.686 -15.695 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.793 -11.627 -17.120 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.617 -10.014 -17.644 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.087 -8.612 -16.655 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.933 -8.945 -18.184 1.00 0.00 H new ATOM 162 N ALA A 14 11.445 -10.011 -13.877 1.00 0.00 N ATOM 163 CA ALA A 14 12.226 -10.757 -12.898 1.00 0.00 C ATOM 164 C ALA A 14 11.998 -12.258 -13.041 1.00 0.00 C ATOM 165 O ALA A 14 11.275 -12.702 -13.933 1.00 0.00 O ATOM 166 CB ALA A 14 11.880 -10.300 -11.488 1.00 0.00 C ATOM 0 H ALA A 14 10.844 -9.291 -13.477 1.00 0.00 H new ATOM 0 HA ALA A 14 13.281 -10.558 -13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.471 -10.865 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 14 12.102 -9.238 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.820 -10.469 -11.301 1.00 0.00 H new ATOM 172 N GLN A 15 12.619 -13.033 -12.158 1.00 0.00 N ATOM 173 CA GLN A 15 12.483 -14.485 -12.188 1.00 0.00 C ATOM 174 C GLN A 15 11.487 -14.960 -11.135 1.00 0.00 C ATOM 175 O GLN A 15 10.487 -15.601 -11.458 1.00 0.00 O ATOM 176 CB GLN A 15 13.841 -15.150 -11.960 1.00 0.00 C ATOM 177 CG GLN A 15 14.900 -14.734 -12.969 1.00 0.00 C ATOM 178 CD GLN A 15 16.300 -15.128 -12.542 1.00 0.00 C ATOM 179 OE1 GLN A 15 16.998 -14.361 -11.878 1.00 0.00 O ATOM 180 NE2 GLN A 15 16.719 -16.329 -12.922 1.00 0.00 N ATOM 0 H GLN A 15 13.221 -12.681 -11.414 1.00 0.00 H new ATOM 0 HA GLN A 15 12.108 -14.770 -13.171 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.191 -14.907 -10.957 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.718 -16.232 -12.001 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.677 -15.190 -13.933 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.858 -13.654 -13.110 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.107 -16.932 -13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.653 -16.649 -12.664 1.00 0.00 H new ATOM 189 N SER A 16 11.769 -14.643 -9.876 1.00 0.00 N ATOM 190 CA SER A 16 10.900 -15.042 -8.775 1.00 0.00 C ATOM 191 C SER A 16 10.345 -13.819 -8.050 1.00 0.00 C ATOM 192 O SER A 16 10.976 -13.282 -7.139 1.00 0.00 O ATOM 193 CB SER A 16 11.664 -15.929 -7.790 1.00 0.00 C ATOM 194 OG SER A 16 12.171 -17.085 -8.433 1.00 0.00 O ATOM 0 H SER A 16 12.592 -14.111 -9.593 1.00 0.00 H new ATOM 0 HA SER A 16 10.065 -15.607 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.486 -15.364 -7.349 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.005 -16.223 -6.973 1.00 0.00 H new ATOM 0 HG SER A 16 12.657 -17.635 -7.783 1.00 0.00 H new ATOM 200 N THR A 17 9.159 -13.383 -8.462 1.00 0.00 N ATOM 201 CA THR A 17 8.518 -12.223 -7.854 1.00 0.00 C ATOM 202 C THR A 17 7.234 -12.619 -7.135 1.00 0.00 C ATOM 203 O THR A 17 6.551 -13.572 -7.510 1.00 0.00 O ATOM 204 CB THR A 17 8.192 -11.146 -8.906 1.00 0.00 C ATOM 205 OG1 THR A 17 7.562 -11.746 -10.043 1.00 0.00 O ATOM 206 CG2 THR A 17 9.454 -10.419 -9.345 1.00 0.00 C ATOM 0 H THR A 17 8.623 -13.815 -9.214 1.00 0.00 H new ATOM 0 HA THR A 17 9.224 -11.814 -7.132 1.00 0.00 H new ATOM 0 HB THR A 17 7.513 -10.423 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.357 -11.054 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.199 -9.663 -10.088 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.916 -9.938 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.153 -11.134 -9.780 1.00 0.00 H new ATOM 214 N PRO A 18 6.894 -11.870 -6.074 1.00 0.00 N ATOM 215 CA PRO A 18 5.688 -12.124 -5.280 1.00 0.00 C ATOM 216 C PRO A 18 4.410 -11.795 -6.045 1.00 0.00 C ATOM 217 O PRO A 18 4.370 -10.844 -6.826 1.00 0.00 O ATOM 218 CB PRO A 18 5.850 -11.186 -4.081 1.00 0.00 C ATOM 219 CG PRO A 18 6.727 -10.088 -4.575 1.00 0.00 C ATOM 220 CD PRO A 18 7.661 -10.719 -5.570 1.00 0.00 C ATOM 0 HA PRO A 18 5.593 -13.175 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.886 -10.802 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.301 -11.702 -3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.138 -9.297 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.281 -9.632 -3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.922 -10.028 -6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.595 -11.032 -5.103 1.00 0.00 H new ATOM 228 N SER A 19 3.368 -12.587 -5.815 1.00 0.00 N ATOM 229 CA SER A 19 2.090 -12.382 -6.486 1.00 0.00 C ATOM 230 C SER A 19 1.089 -11.707 -5.553 1.00 0.00 C ATOM 231 O SER A 19 0.589 -10.620 -5.842 1.00 0.00 O ATOM 232 CB SER A 19 1.526 -13.717 -6.976 1.00 0.00 C ATOM 233 OG SER A 19 2.053 -14.058 -8.246 1.00 0.00 O ATOM 0 H SER A 19 3.384 -13.376 -5.169 1.00 0.00 H new ATOM 0 HA SER A 19 2.259 -11.731 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.764 -14.501 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.439 -13.657 -7.034 1.00 0.00 H new ATOM 0 HG SER A 19 1.678 -14.916 -8.536 1.00 0.00 H new ATOM 239 N ALA A 20 0.802 -12.359 -4.431 1.00 0.00 N ATOM 240 CA ALA A 20 -0.137 -11.822 -3.454 1.00 0.00 C ATOM 241 C ALA A 20 0.465 -10.635 -2.710 1.00 0.00 C ATOM 242 O ALA A 20 -0.035 -9.512 -2.776 1.00 0.00 O ATOM 243 CB ALA A 20 -0.554 -12.907 -2.472 1.00 0.00 C ATOM 0 H ALA A 20 1.206 -13.260 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.020 -11.472 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.255 -12.492 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.032 -13.724 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.326 -13.283 -1.950 1.00 0.00 H new ATOM 249 N PRO A 21 1.564 -10.886 -1.983 1.00 0.00 N ATOM 250 CA PRO A 21 2.257 -9.850 -1.212 1.00 0.00 C ATOM 251 C PRO A 21 2.961 -8.836 -2.106 1.00 0.00 C ATOM 252 O PRO A 21 3.445 -9.159 -3.192 1.00 0.00 O ATOM 253 CB PRO A 21 3.279 -10.641 -0.393 1.00 0.00 C ATOM 254 CG PRO A 21 3.520 -11.881 -1.183 1.00 0.00 C ATOM 255 CD PRO A 21 2.215 -12.201 -1.858 1.00 0.00 C ATOM 0 HA PRO A 21 1.567 -9.263 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.200 -10.074 -0.255 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.896 -10.873 0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.312 -11.729 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.837 -12.700 -0.537 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.370 -12.667 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.615 -12.892 -1.266 1.00 0.00 H new ATOM 263 N PRO A 22 3.023 -7.578 -1.643 1.00 0.00 N ATOM 264 CA PRO A 22 2.450 -7.182 -0.353 1.00 0.00 C ATOM 265 C PRO A 22 0.926 -7.208 -0.362 1.00 0.00 C ATOM 266 O PRO A 22 0.292 -6.641 -1.252 1.00 0.00 O ATOM 267 CB PRO A 22 2.959 -5.750 -0.164 1.00 0.00 C ATOM 268 CG PRO A 22 3.210 -5.252 -1.546 1.00 0.00 C ATOM 269 CD PRO A 22 3.655 -6.447 -2.343 1.00 0.00 C ATOM 0 HA PRO A 22 2.740 -7.862 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.223 -5.133 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.869 -5.729 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.308 -4.813 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.975 -4.475 -1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.327 -6.383 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.741 -6.539 -2.357 1.00 0.00 H new ATOM 277 N GLN A 23 0.344 -7.869 0.633 1.00 0.00 N ATOM 278 CA GLN A 23 -1.107 -7.969 0.738 1.00 0.00 C ATOM 279 C GLN A 23 -1.606 -7.316 2.022 1.00 0.00 C ATOM 280 O GLN A 23 -0.819 -6.797 2.814 1.00 0.00 O ATOM 281 CB GLN A 23 -1.544 -9.434 0.693 1.00 0.00 C ATOM 282 CG GLN A 23 -0.521 -10.391 1.284 1.00 0.00 C ATOM 283 CD GLN A 23 -1.038 -11.814 1.376 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.183 -12.094 1.022 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.194 -12.721 1.853 1.00 0.00 N ATOM 0 H GLN A 23 0.855 -8.343 1.378 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.544 -7.442 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.484 -9.541 1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.737 -9.715 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.381 -10.375 0.673 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.238 -10.046 2.279 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.746 -12.444 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.486 -13.695 1.938 1.00 0.00 H new ATOM 294 N LYS A 24 -2.919 -7.344 2.223 1.00 0.00 N ATOM 295 CA LYS A 24 -3.525 -6.756 3.412 1.00 0.00 C ATOM 296 C LYS A 24 -2.990 -5.349 3.656 1.00 0.00 C ATOM 297 O LYS A 24 -2.851 -4.916 4.800 1.00 0.00 O ATOM 298 CB LYS A 24 -3.255 -7.635 4.635 1.00 0.00 C ATOM 299 CG LYS A 24 -3.523 -9.111 4.394 1.00 0.00 C ATOM 300 CD LYS A 24 -3.807 -9.845 5.694 1.00 0.00 C ATOM 301 CE LYS A 24 -2.527 -10.356 6.337 1.00 0.00 C ATOM 302 NZ LYS A 24 -2.806 -11.212 7.523 1.00 0.00 N ATOM 0 H LYS A 24 -3.585 -7.768 1.577 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.601 -6.693 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.217 -7.508 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.876 -7.292 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.372 -9.222 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.662 -9.562 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.321 -9.177 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.478 -10.682 5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.955 -10.925 5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.908 -9.510 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.908 -11.540 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.330 -10.661 8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.375 -12.033 7.233 1.00 0.00 H new ATOM 316 N VAL A 25 -2.692 -4.638 2.573 1.00 0.00 N ATOM 317 CA VAL A 25 -2.174 -3.278 2.670 1.00 0.00 C ATOM 318 C VAL A 25 -3.184 -2.352 3.336 1.00 0.00 C ATOM 319 O VAL A 25 -4.211 -2.012 2.749 1.00 0.00 O ATOM 320 CB VAL A 25 -1.814 -2.715 1.282 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.299 -1.288 1.402 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.789 -3.604 0.596 1.00 0.00 C ATOM 0 H VAL A 25 -2.800 -4.981 1.619 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.272 -3.325 3.280 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.716 -2.701 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.050 -0.907 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.069 -0.660 1.849 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.409 -1.274 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.547 -3.191 -0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.115 -3.653 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.200 -4.607 0.475 1.00 0.00 H new ATOM 332 N MET A 26 -2.886 -1.946 4.566 1.00 0.00 N ATOM 333 CA MET A 26 -3.768 -1.056 5.312 1.00 0.00 C ATOM 334 C MET A 26 -3.189 0.353 5.379 1.00 0.00 C ATOM 335 O MET A 26 -2.142 0.575 5.989 1.00 0.00 O ATOM 336 CB MET A 26 -3.994 -1.595 6.726 1.00 0.00 C ATOM 337 CG MET A 26 -4.804 -2.881 6.764 1.00 0.00 C ATOM 338 SD MET A 26 -4.934 -3.571 8.425 1.00 0.00 S ATOM 339 CE MET A 26 -4.739 -5.318 8.081 1.00 0.00 C ATOM 0 H MET A 26 -2.041 -2.219 5.067 1.00 0.00 H new ATOM 0 HA MET A 26 -4.724 -1.012 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.027 -1.770 7.198 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.505 -0.836 7.318 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.804 -2.688 6.376 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.343 -3.616 6.104 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.796 -5.881 9.013 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.531 -5.647 7.409 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.770 -5.491 7.612 1.00 0.00 H new ATOM 349 N CYS A 27 -3.875 1.301 4.750 1.00 0.00 N ATOM 350 CA CYS A 27 -3.427 2.689 4.738 1.00 0.00 C ATOM 351 C CYS A 27 -4.276 3.542 5.675 1.00 0.00 C ATOM 352 O CYS A 27 -5.497 3.400 5.726 1.00 0.00 O ATOM 353 CB CYS A 27 -3.489 3.254 3.318 1.00 0.00 C ATOM 354 SG CYS A 27 -2.614 2.257 2.089 1.00 0.00 S ATOM 0 H CYS A 27 -4.743 1.134 4.242 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.395 2.715 5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.533 3.345 3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.069 4.260 3.320 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.181 2.403 0.928 1.00 0.00 H new ATOM 360 N VAL A 28 -3.619 4.428 6.417 1.00 0.00 N ATOM 361 CA VAL A 28 -4.313 5.304 7.354 1.00 0.00 C ATOM 362 C VAL A 28 -3.764 6.725 7.287 1.00 0.00 C ATOM 363 O VAL A 28 -2.556 6.940 7.392 1.00 0.00 O ATOM 364 CB VAL A 28 -4.194 4.787 8.800 1.00 0.00 C ATOM 365 CG1 VAL A 28 -4.897 3.446 8.947 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.732 4.679 9.208 1.00 0.00 C ATOM 0 H VAL A 28 -2.608 4.558 6.388 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.364 5.309 7.064 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.682 5.501 9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.802 3.096 9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.952 3.559 8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.441 2.720 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.666 4.312 10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.218 3.987 8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.263 5.661 9.143 1.00 0.00 H new ATOM 376 N SER A 29 -4.659 7.692 7.112 1.00 0.00 N ATOM 377 CA SER A 29 -4.263 9.093 7.028 1.00 0.00 C ATOM 378 C SER A 29 -3.712 9.583 8.363 1.00 0.00 C ATOM 379 O SER A 29 -4.394 9.529 9.386 1.00 0.00 O ATOM 380 CB SER A 29 -5.454 9.956 6.607 1.00 0.00 C ATOM 381 OG SER A 29 -5.575 10.005 5.196 1.00 0.00 O ATOM 0 H SER A 29 -5.663 7.531 7.026 1.00 0.00 H new ATOM 0 HA SER A 29 -3.477 9.179 6.278 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.370 9.553 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.333 10.965 7.000 1.00 0.00 H new ATOM 0 HG SER A 29 -6.486 10.273 4.955 1.00 0.00 H new ATOM 387 N MET A 30 -2.472 10.062 8.345 1.00 0.00 N ATOM 388 CA MET A 30 -1.829 10.563 9.553 1.00 0.00 C ATOM 389 C MET A 30 -2.412 11.913 9.960 1.00 0.00 C ATOM 390 O MET A 30 -2.787 12.116 11.114 1.00 0.00 O ATOM 391 CB MET A 30 -0.320 10.690 9.338 1.00 0.00 C ATOM 392 CG MET A 30 0.392 9.352 9.221 1.00 0.00 C ATOM 393 SD MET A 30 0.940 8.715 10.817 1.00 0.00 S ATOM 394 CE MET A 30 -0.289 7.448 11.116 1.00 0.00 C ATOM 0 H MET A 30 -1.893 10.113 7.507 1.00 0.00 H new ATOM 0 HA MET A 30 -2.016 9.850 10.356 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.138 11.270 8.433 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.111 11.250 10.168 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.277 8.628 8.756 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.253 9.460 8.562 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.651 7.527 12.141 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.123 7.580 10.426 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.157 6.465 10.963 1.00 0.00 H new ATOM 404 N GLY A 31 -2.485 12.833 9.003 1.00 0.00 N ATOM 405 CA GLY A 31 -3.023 14.152 9.282 1.00 0.00 C ATOM 406 C GLY A 31 -3.788 14.727 8.107 1.00 0.00 C ATOM 407 O GLY A 31 -4.879 14.260 7.779 1.00 0.00 O ATOM 0 H GLY A 31 -2.181 12.689 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.682 14.096 10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.207 14.825 9.545 1.00 0.00 H new ATOM 411 N SER A 32 -3.215 15.744 7.471 1.00 0.00 N ATOM 412 CA SER A 32 -3.853 16.387 6.328 1.00 0.00 C ATOM 413 C SER A 32 -3.013 16.210 5.066 1.00 0.00 C ATOM 414 O SER A 32 -3.545 15.984 3.979 1.00 0.00 O ATOM 415 CB SER A 32 -4.066 17.876 6.607 1.00 0.00 C ATOM 416 OG SER A 32 -4.766 18.072 7.824 1.00 0.00 O ATOM 0 H SER A 32 -2.311 16.140 7.728 1.00 0.00 H new ATOM 0 HA SER A 32 -4.821 15.912 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.102 18.382 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.624 18.327 5.786 1.00 0.00 H new ATOM 0 HG SER A 32 -4.888 19.032 7.980 1.00 0.00 H new ATOM 422 N THR A 33 -1.697 16.314 5.220 1.00 0.00 N ATOM 423 CA THR A 33 -0.782 16.167 4.094 1.00 0.00 C ATOM 424 C THR A 33 0.180 15.005 4.316 1.00 0.00 C ATOM 425 O THR A 33 1.229 14.924 3.677 1.00 0.00 O ATOM 426 CB THR A 33 0.030 17.454 3.859 1.00 0.00 C ATOM 427 OG1 THR A 33 0.843 17.737 5.003 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.891 18.632 3.581 1.00 0.00 C ATOM 0 H THR A 33 -1.241 16.499 6.113 1.00 0.00 H new ATOM 0 HA THR A 33 -1.393 15.966 3.214 1.00 0.00 H new ATOM 0 HB THR A 33 0.669 17.300 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.357 18.556 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.295 19.530 3.418 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.487 18.426 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.553 18.786 4.433 1.00 0.00 H new ATOM 436 N THR A 34 -0.184 14.107 5.226 1.00 0.00 N ATOM 437 CA THR A 34 0.647 12.950 5.533 1.00 0.00 C ATOM 438 C THR A 34 -0.195 11.686 5.659 1.00 0.00 C ATOM 439 O THR A 34 -1.291 11.711 6.219 1.00 0.00 O ATOM 440 CB THR A 34 1.440 13.157 6.837 1.00 0.00 C ATOM 441 OG1 THR A 34 2.237 14.343 6.743 1.00 0.00 O ATOM 442 CG2 THR A 34 2.334 11.960 7.123 1.00 0.00 C ATOM 0 H THR A 34 -1.049 14.159 5.763 1.00 0.00 H new ATOM 0 HA THR A 34 1.347 12.836 4.705 1.00 0.00 H new ATOM 0 HB THR A 34 0.728 13.262 7.656 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.737 14.468 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.884 12.130 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.721 11.064 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.038 11.827 6.302 1.00 0.00 H new ATOM 450 N VAL A 35 0.324 10.579 5.136 1.00 0.00 N ATOM 451 CA VAL A 35 -0.380 9.304 5.191 1.00 0.00 C ATOM 452 C VAL A 35 0.561 8.174 5.593 1.00 0.00 C ATOM 453 O VAL A 35 1.756 8.213 5.297 1.00 0.00 O ATOM 454 CB VAL A 35 -1.028 8.961 3.837 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.762 7.631 3.918 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.969 10.073 3.400 1.00 0.00 C ATOM 0 H VAL A 35 1.230 10.540 4.669 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.162 9.407 5.943 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.240 8.869 3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.214 7.405 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.058 6.842 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.541 7.691 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.418 9.814 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.754 10.200 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.411 11.004 3.299 1.00 0.00 H new ATOM 466 N ARG A 36 0.015 7.167 6.267 1.00 0.00 N ATOM 467 CA ARG A 36 0.806 6.026 6.710 1.00 0.00 C ATOM 468 C ARG A 36 0.268 4.728 6.116 1.00 0.00 C ATOM 469 O ARG A 36 -0.790 4.242 6.516 1.00 0.00 O ATOM 470 CB ARG A 36 0.805 5.939 8.238 1.00 0.00 C ATOM 471 CG ARG A 36 2.032 5.248 8.809 1.00 0.00 C ATOM 472 CD ARG A 36 3.264 6.136 8.722 1.00 0.00 C ATOM 473 NE ARG A 36 4.209 5.868 9.803 1.00 0.00 N ATOM 474 CZ ARG A 36 5.128 4.911 9.755 1.00 0.00 C ATOM 475 NH1 ARG A 36 5.226 4.134 8.685 1.00 0.00 N ATOM 476 NH2 ARG A 36 5.952 4.729 10.779 1.00 0.00 N ATOM 0 H ARG A 36 -0.972 7.119 6.518 1.00 0.00 H new ATOM 0 HA ARG A 36 1.829 6.168 6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.740 6.946 8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.087 5.403 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.848 4.980 9.849 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.213 4.319 8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.757 5.979 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.960 7.182 8.757 1.00 0.00 H new ATOM 0 HE ARG A 36 4.160 6.448 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.594 4.271 7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.933 3.400 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.880 5.325 11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.658 3.994 10.741 1.00 0.00 H new ATOM 490 N VAL A 37 1.003 4.171 5.158 1.00 0.00 N ATOM 491 CA VAL A 37 0.599 2.930 4.509 1.00 0.00 C ATOM 492 C VAL A 37 1.465 1.762 4.970 1.00 0.00 C ATOM 493 O VAL A 37 2.689 1.798 4.847 1.00 0.00 O ATOM 494 CB VAL A 37 0.686 3.044 2.976 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.976 3.737 2.563 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.580 1.670 2.332 1.00 0.00 C ATOM 0 H VAL A 37 1.881 4.560 4.815 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.437 2.746 4.794 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.151 3.649 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.019 3.808 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.005 4.738 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.829 3.162 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.643 1.770 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.395 1.038 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.374 1.216 2.599 1.00 0.00 H new ATOM 506 N SER A 38 0.821 0.728 5.501 1.00 0.00 N ATOM 507 CA SER A 38 1.532 -0.450 5.984 1.00 0.00 C ATOM 508 C SER A 38 0.996 -1.717 5.323 1.00 0.00 C ATOM 509 O SER A 38 -0.187 -1.806 4.996 1.00 0.00 O ATOM 510 CB SER A 38 1.405 -0.561 7.504 1.00 0.00 C ATOM 511 OG SER A 38 0.045 -0.574 7.903 1.00 0.00 O ATOM 0 H SER A 38 -0.192 0.682 5.608 1.00 0.00 H new ATOM 0 HA SER A 38 2.584 -0.342 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.897 -1.471 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.918 0.276 7.977 1.00 0.00 H new ATOM 0 HG SER A 38 -0.009 -0.647 8.879 1.00 0.00 H new ATOM 517 N TRP A 39 1.875 -2.693 5.131 1.00 0.00 N ATOM 518 CA TRP A 39 1.492 -3.956 4.510 1.00 0.00 C ATOM 519 C TRP A 39 2.002 -5.140 5.323 1.00 0.00 C ATOM 520 O TRP A 39 2.877 -4.989 6.176 1.00 0.00 O ATOM 521 CB TRP A 39 2.034 -4.030 3.082 1.00 0.00 C ATOM 522 CG TRP A 39 3.451 -3.559 2.959 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.569 -4.339 2.869 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.902 -2.201 2.914 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.688 -3.547 2.771 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.305 -2.231 2.796 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.257 -0.962 2.961 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.071 -1.071 2.725 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.019 0.188 2.891 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.414 0.128 2.773 1.00 0.00 C ATOM 0 H TRP A 39 2.858 -2.635 5.396 1.00 0.00 H new ATOM 0 HA TRP A 39 0.403 -4.003 4.481 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.969 -5.059 2.729 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.401 -3.429 2.429 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.573 -5.419 2.874 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.648 -3.884 2.692 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.182 -0.905 3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.146 -1.116 2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.531 1.151 2.928 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.981 1.046 2.719 1.00 0.00 H new ATOM 541 N VAL A 40 1.451 -6.319 5.054 1.00 0.00 N ATOM 542 CA VAL A 40 1.852 -7.530 5.760 1.00 0.00 C ATOM 543 C VAL A 40 3.034 -8.202 5.070 1.00 0.00 C ATOM 544 O VAL A 40 3.053 -8.384 3.853 1.00 0.00 O ATOM 545 CB VAL A 40 0.689 -8.535 5.857 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.363 -9.109 4.487 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.024 -9.643 6.843 1.00 0.00 C ATOM 0 H VAL A 40 0.725 -6.461 4.352 1.00 0.00 H new ATOM 0 HA VAL A 40 2.145 -7.228 6.765 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.193 -8.009 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.461 -9.817 4.576 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.077 -8.302 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.239 -9.620 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.191 -10.344 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.919 -10.168 6.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.202 -9.212 7.828 1.00 0.00 H new ATOM 557 N PRO A 41 4.045 -8.582 5.866 1.00 0.00 N ATOM 558 CA PRO A 41 5.250 -9.242 5.354 1.00 0.00 C ATOM 559 C PRO A 41 4.972 -10.660 4.866 1.00 0.00 C ATOM 560 O PRO A 41 4.132 -11.376 5.411 1.00 0.00 O ATOM 561 CB PRO A 41 6.183 -9.267 6.567 1.00 0.00 C ATOM 562 CG PRO A 41 5.273 -9.225 7.745 1.00 0.00 C ATOM 563 CD PRO A 41 4.090 -8.397 7.326 1.00 0.00 C ATOM 0 HA PRO A 41 5.664 -8.721 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.799 -10.166 6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.863 -8.415 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.963 -10.229 8.035 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.772 -8.784 8.608 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.171 -8.738 7.803 1.00 0.00 H new ATOM 0 HD3 PRO A 41 4.218 -7.348 7.595 1.00 0.00 H new ATOM 571 N PRO A 42 5.692 -11.077 3.814 1.00 0.00 N ATOM 572 CA PRO A 42 5.541 -12.413 3.231 1.00 0.00 C ATOM 573 C PRO A 42 6.066 -13.510 4.151 1.00 0.00 C ATOM 574 O PRO A 42 6.995 -13.306 4.933 1.00 0.00 O ATOM 575 CB PRO A 42 6.380 -12.340 1.953 1.00 0.00 C ATOM 576 CG PRO A 42 7.391 -11.280 2.225 1.00 0.00 C ATOM 577 CD PRO A 42 6.711 -10.277 3.114 1.00 0.00 C ATOM 0 HA PRO A 42 4.495 -12.665 3.056 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.857 -13.296 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.765 -12.088 1.089 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.273 -11.697 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.728 -10.815 1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.412 -9.819 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.261 -9.469 2.537 1.00 0.00 H new ATOM 585 N PRO A 43 5.459 -14.703 4.057 1.00 0.00 N ATOM 586 CA PRO A 43 5.850 -15.856 4.873 1.00 0.00 C ATOM 587 C PRO A 43 7.216 -16.409 4.478 1.00 0.00 C ATOM 588 O PRO A 43 7.538 -16.506 3.294 1.00 0.00 O ATOM 589 CB PRO A 43 4.753 -16.884 4.584 1.00 0.00 C ATOM 590 CG PRO A 43 4.234 -16.514 3.237 1.00 0.00 C ATOM 591 CD PRO A 43 4.346 -15.018 3.146 1.00 0.00 C ATOM 0 HA PRO A 43 5.942 -15.596 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.150 -17.899 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.965 -16.845 5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.813 -16.997 2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.200 -16.836 3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.556 -14.692 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.423 -14.526 3.454 1.00 0.00 H new ATOM 599 N ALA A 44 8.013 -16.772 5.477 1.00 0.00 N ATOM 600 CA ALA A 44 9.343 -17.318 5.233 1.00 0.00 C ATOM 601 C ALA A 44 9.276 -18.541 4.324 1.00 0.00 C ATOM 602 O ALA A 44 9.866 -18.555 3.243 1.00 0.00 O ATOM 603 CB ALA A 44 10.017 -17.674 6.550 1.00 0.00 C ATOM 0 H ALA A 44 7.761 -16.698 6.463 1.00 0.00 H new ATOM 0 HA ALA A 44 9.935 -16.554 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.009 -18.080 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.107 -16.779 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.418 -18.418 7.076 1.00 0.00 H new ATOM 609 N ASP A 45 8.555 -19.564 4.769 1.00 0.00 N ATOM 610 CA ASP A 45 8.411 -20.791 3.994 1.00 0.00 C ATOM 611 C ASP A 45 7.494 -20.573 2.795 1.00 0.00 C ATOM 612 O ASP A 45 6.656 -19.672 2.798 1.00 0.00 O ATOM 613 CB ASP A 45 7.861 -21.914 4.875 1.00 0.00 C ATOM 614 CG ASP A 45 6.686 -21.462 5.722 1.00 0.00 C ATOM 615 OD1 ASP A 45 6.919 -20.983 6.852 1.00 0.00 O ATOM 616 OD2 ASP A 45 5.536 -21.587 5.254 1.00 0.00 O ATOM 0 H ASP A 45 8.061 -19.568 5.662 1.00 0.00 H new ATOM 0 HA ASP A 45 9.397 -21.077 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.552 -22.748 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.654 -22.283 5.526 1.00 0.00 H new ATOM 621 N SER A 46 7.661 -21.403 1.770 1.00 0.00 N ATOM 622 CA SER A 46 6.852 -21.297 0.562 1.00 0.00 C ATOM 623 C SER A 46 6.819 -19.859 0.054 1.00 0.00 C ATOM 624 O SER A 46 5.755 -19.323 -0.256 1.00 0.00 O ATOM 625 CB SER A 46 5.428 -21.787 0.831 1.00 0.00 C ATOM 626 OG SER A 46 4.830 -22.293 -0.350 1.00 0.00 O ATOM 0 H SER A 46 8.349 -22.156 1.752 1.00 0.00 H new ATOM 0 HA SER A 46 7.306 -21.925 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.446 -22.564 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.827 -20.968 1.224 1.00 0.00 H new ATOM 0 HG SER A 46 3.921 -22.601 -0.150 1.00 0.00 H new ATOM 632 N ARG A 47 7.992 -19.240 -0.029 1.00 0.00 N ATOM 633 CA ARG A 47 8.099 -17.864 -0.498 1.00 0.00 C ATOM 634 C ARG A 47 8.591 -17.818 -1.942 1.00 0.00 C ATOM 635 O ARG A 47 9.524 -18.529 -2.313 1.00 0.00 O ATOM 636 CB ARG A 47 9.048 -17.069 0.401 1.00 0.00 C ATOM 637 CG ARG A 47 8.857 -15.564 0.307 1.00 0.00 C ATOM 638 CD ARG A 47 9.997 -14.815 0.980 1.00 0.00 C ATOM 639 NE ARG A 47 9.800 -14.701 2.423 1.00 0.00 N ATOM 640 CZ ARG A 47 10.770 -14.388 3.275 1.00 0.00 C ATOM 641 NH1 ARG A 47 11.998 -14.160 2.831 1.00 0.00 N ATOM 642 NH2 ARG A 47 10.512 -14.304 4.574 1.00 0.00 N ATOM 0 H ARG A 47 8.882 -19.670 0.223 1.00 0.00 H new ATOM 0 HA ARG A 47 7.107 -17.414 -0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.903 -17.381 1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.077 -17.314 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.794 -15.269 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.912 -15.286 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.937 -15.331 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.083 -13.819 0.546 1.00 0.00 H new ATOM 0 HE ARG A 47 8.866 -14.871 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.200 -14.225 1.833 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.741 -13.920 3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.568 -14.480 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.257 -14.064 5.227 1.00 0.00 H new ATOM 656 N ASN A 48 7.955 -16.977 -2.751 1.00 0.00 N ATOM 657 CA ASN A 48 8.327 -16.839 -4.155 1.00 0.00 C ATOM 658 C ASN A 48 9.690 -16.168 -4.293 1.00 0.00 C ATOM 659 O ASN A 48 10.611 -16.726 -4.888 1.00 0.00 O ATOM 660 CB ASN A 48 7.268 -16.030 -4.907 1.00 0.00 C ATOM 661 CG ASN A 48 5.857 -16.465 -4.565 1.00 0.00 C ATOM 662 OD1 ASN A 48 5.400 -17.524 -4.997 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.157 -15.648 -3.787 1.00 0.00 N ATOM 0 H ASN A 48 7.180 -16.381 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 48 8.388 -17.837 -4.589 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.387 -14.973 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.428 -16.136 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.201 -15.888 -3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.575 -14.780 -3.452 1.00 0.00 H new ATOM 670 N GLY A 49 9.810 -14.966 -3.739 1.00 0.00 N ATOM 671 CA GLY A 49 11.064 -14.238 -3.810 1.00 0.00 C ATOM 672 C GLY A 49 11.384 -13.505 -2.523 1.00 0.00 C ATOM 673 O GLY A 49 10.503 -12.907 -1.905 1.00 0.00 O ATOM 0 H GLY A 49 9.062 -14.483 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.872 -14.934 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.019 -13.522 -4.630 1.00 0.00 H new ATOM 677 N VAL A 50 12.648 -13.553 -2.114 1.00 0.00 N ATOM 678 CA VAL A 50 13.082 -12.889 -0.891 1.00 0.00 C ATOM 679 C VAL A 50 13.090 -11.374 -1.062 1.00 0.00 C ATOM 680 O VAL A 50 13.951 -10.821 -1.746 1.00 0.00 O ATOM 681 CB VAL A 50 14.488 -13.354 -0.468 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.428 -13.366 -1.663 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.032 -12.465 0.640 1.00 0.00 C ATOM 0 H VAL A 50 13.390 -14.045 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 50 12.369 -13.161 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 50 14.415 -14.371 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.417 -13.697 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.044 -14.048 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.499 -12.362 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.026 -12.808 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.091 -11.436 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.369 -12.513 1.504 1.00 0.00 H new ATOM 693 N ILE A 51 12.125 -10.708 -0.435 1.00 0.00 N ATOM 694 CA ILE A 51 12.022 -9.257 -0.516 1.00 0.00 C ATOM 695 C ILE A 51 13.385 -8.598 -0.327 1.00 0.00 C ATOM 696 O ILE A 51 14.190 -9.034 0.496 1.00 0.00 O ATOM 697 CB ILE A 51 11.046 -8.702 0.538 1.00 0.00 C ATOM 698 CG1 ILE A 51 9.709 -9.443 0.467 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.841 -7.208 0.336 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.097 -9.452 -0.917 1.00 0.00 C ATOM 0 H ILE A 51 11.404 -11.151 0.134 1.00 0.00 H new ATOM 0 HA ILE A 51 11.642 -9.023 -1.510 1.00 0.00 H new ATOM 0 HB ILE A 51 11.475 -8.859 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.854 -10.471 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.009 -8.980 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.149 -6.831 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.797 -6.693 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.430 -7.028 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.152 -9.994 -0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.920 -8.427 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.778 -9.941 -1.613 1.00 0.00 H new ATOM 712 N THR A 52 13.636 -7.541 -1.094 1.00 0.00 N ATOM 713 CA THR A 52 14.900 -6.821 -1.012 1.00 0.00 C ATOM 714 C THR A 52 14.670 -5.326 -0.818 1.00 0.00 C ATOM 715 O THR A 52 15.416 -4.663 -0.099 1.00 0.00 O ATOM 716 CB THR A 52 15.754 -7.037 -2.276 1.00 0.00 C ATOM 717 OG1 THR A 52 15.094 -6.473 -3.415 1.00 0.00 O ATOM 718 CG2 THR A 52 16.006 -8.519 -2.512 1.00 0.00 C ATOM 0 H THR A 52 12.980 -7.165 -1.779 1.00 0.00 H new ATOM 0 HA THR A 52 15.434 -7.219 -0.149 1.00 0.00 H new ATOM 0 HB THR A 52 16.713 -6.540 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.129 -6.626 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.611 -8.647 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.534 -8.939 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.054 -9.034 -2.640 1.00 0.00 H new ATOM 726 N GLN A 53 13.631 -4.804 -1.462 1.00 0.00 N ATOM 727 CA GLN A 53 13.303 -3.387 -1.359 1.00 0.00 C ATOM 728 C GLN A 53 11.798 -3.168 -1.467 1.00 0.00 C ATOM 729 O GLN A 53 11.082 -3.982 -2.051 1.00 0.00 O ATOM 730 CB GLN A 53 14.025 -2.594 -2.450 1.00 0.00 C ATOM 731 CG GLN A 53 15.353 -3.205 -2.868 1.00 0.00 C ATOM 732 CD GLN A 53 16.100 -2.348 -3.872 1.00 0.00 C ATOM 733 OE1 GLN A 53 16.503 -2.825 -4.933 1.00 0.00 O ATOM 734 NE2 GLN A 53 16.287 -1.076 -3.541 1.00 0.00 N ATOM 0 H GLN A 53 13.003 -5.340 -2.060 1.00 0.00 H new ATOM 0 HA GLN A 53 13.634 -3.033 -0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.377 -2.521 -3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.198 -1.578 -2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.976 -3.350 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.176 -4.191 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.935 -0.724 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.782 -0.451 -4.177 1.00 0.00 H new ATOM 743 N TYR A 54 11.324 -2.063 -0.900 1.00 0.00 N ATOM 744 CA TYR A 54 9.903 -1.738 -0.930 1.00 0.00 C ATOM 745 C TYR A 54 9.667 -0.390 -1.603 1.00 0.00 C ATOM 746 O TYR A 54 10.425 0.559 -1.401 1.00 0.00 O ATOM 747 CB TYR A 54 9.333 -1.720 0.489 1.00 0.00 C ATOM 748 CG TYR A 54 8.893 -3.080 0.982 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.845 -3.757 0.370 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.524 -3.687 2.061 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.440 -5.000 0.818 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.126 -4.929 2.515 1.00 0.00 C ATOM 753 CZ TYR A 54 8.083 -5.582 1.890 1.00 0.00 C ATOM 754 OH TYR A 54 7.683 -6.819 2.340 1.00 0.00 O ATOM 0 H TYR A 54 11.903 -1.378 -0.414 1.00 0.00 H new ATOM 0 HA TYR A 54 9.392 -2.507 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.086 -1.323 1.169 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.483 -1.039 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.339 -3.304 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.340 -3.179 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.624 -5.513 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.628 -5.387 3.354 1.00 0.00 H new ATOM 0 HH TYR A 54 8.240 -7.086 3.101 1.00 0.00 H new ATOM 764 N SER A 55 8.609 -0.312 -2.404 1.00 0.00 N ATOM 765 CA SER A 55 8.273 0.919 -3.110 1.00 0.00 C ATOM 766 C SER A 55 6.858 1.374 -2.765 1.00 0.00 C ATOM 767 O SER A 55 5.981 0.556 -2.485 1.00 0.00 O ATOM 768 CB SER A 55 8.401 0.716 -4.621 1.00 0.00 C ATOM 769 OG SER A 55 8.498 1.959 -5.296 1.00 0.00 O ATOM 0 H SER A 55 7.970 -1.087 -2.580 1.00 0.00 H new ATOM 0 HA SER A 55 8.972 1.693 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.282 0.112 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.537 0.164 -4.991 1.00 0.00 H new ATOM 0 HG SER A 55 8.947 2.611 -4.718 1.00 0.00 H new ATOM 775 N VAL A 56 6.643 2.685 -2.788 1.00 0.00 N ATOM 776 CA VAL A 56 5.335 3.251 -2.479 1.00 0.00 C ATOM 777 C VAL A 56 4.982 4.378 -3.443 1.00 0.00 C ATOM 778 O VAL A 56 5.775 5.293 -3.661 1.00 0.00 O ATOM 779 CB VAL A 56 5.283 3.789 -1.036 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.906 4.359 -0.729 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.649 2.694 -0.046 1.00 0.00 C ATOM 0 H VAL A 56 7.358 3.376 -3.017 1.00 0.00 H new ATOM 0 HA VAL A 56 4.608 2.445 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 56 6.013 4.593 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.887 4.734 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.688 5.174 -1.419 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.155 3.577 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.607 3.091 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.945 1.867 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.658 2.337 -0.255 1.00 0.00 H new ATOM 791 N ALA A 57 3.786 4.304 -4.018 1.00 0.00 N ATOM 792 CA ALA A 57 3.326 5.319 -4.958 1.00 0.00 C ATOM 793 C ALA A 57 1.973 5.883 -4.538 1.00 0.00 C ATOM 794 O ALA A 57 1.121 5.159 -4.023 1.00 0.00 O ATOM 795 CB ALA A 57 3.246 4.741 -6.362 1.00 0.00 C ATOM 0 H ALA A 57 3.118 3.552 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 57 4.048 6.136 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.901 5.510 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.232 4.393 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.547 3.905 -6.372 1.00 0.00 H new ATOM 801 N TYR A 58 1.783 7.179 -4.760 1.00 0.00 N ATOM 802 CA TYR A 58 0.534 7.840 -4.402 1.00 0.00 C ATOM 803 C TYR A 58 0.093 8.803 -5.500 1.00 0.00 C ATOM 804 O TYR A 58 0.896 9.577 -6.021 1.00 0.00 O ATOM 805 CB TYR A 58 0.693 8.594 -3.080 1.00 0.00 C ATOM 806 CG TYR A 58 1.908 9.494 -3.039 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.159 8.988 -2.710 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.804 10.849 -3.327 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.272 9.806 -2.670 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.911 11.674 -3.290 1.00 0.00 C ATOM 811 CZ TYR A 58 4.143 11.148 -2.961 1.00 0.00 C ATOM 812 OH TYR A 58 5.248 11.967 -2.923 1.00 0.00 O ATOM 0 H TYR A 58 2.478 7.792 -5.186 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.233 7.074 -4.286 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.200 9.194 -2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.758 7.873 -2.265 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.264 7.938 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.841 11.264 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.238 9.397 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.813 12.725 -3.517 1.00 0.00 H new ATOM 0 HH TYR A 58 5.313 12.467 -3.763 1.00 0.00 H new ATOM 822 N GLU A 59 -1.190 8.749 -5.845 1.00 0.00 N ATOM 823 CA GLU A 59 -1.738 9.616 -6.882 1.00 0.00 C ATOM 824 C GLU A 59 -3.167 10.033 -6.543 1.00 0.00 C ATOM 825 O GLU A 59 -4.012 9.194 -6.232 1.00 0.00 O ATOM 826 CB GLU A 59 -1.710 8.908 -8.238 1.00 0.00 C ATOM 827 CG GLU A 59 -2.103 9.804 -9.400 1.00 0.00 C ATOM 828 CD GLU A 59 -2.754 9.036 -10.534 1.00 0.00 C ATOM 829 OE1 GLU A 59 -2.018 8.486 -11.379 1.00 0.00 O ATOM 830 OE2 GLU A 59 -4.002 8.985 -10.576 1.00 0.00 O ATOM 0 H GLU A 59 -1.868 8.115 -5.422 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.119 10.512 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.708 8.518 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.384 8.052 -8.206 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.790 10.573 -9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.217 10.317 -9.775 1.00 0.00 H new ATOM 837 N ALA A 60 -3.427 11.335 -6.604 1.00 0.00 N ATOM 838 CA ALA A 60 -4.753 11.863 -6.306 1.00 0.00 C ATOM 839 C ALA A 60 -5.783 11.364 -7.314 1.00 0.00 C ATOM 840 O ALA A 60 -5.541 11.376 -8.521 1.00 0.00 O ATOM 841 CB ALA A 60 -4.723 13.384 -6.288 1.00 0.00 C ATOM 0 H ALA A 60 -2.738 12.043 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.046 11.504 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.719 13.765 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.024 13.725 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.404 13.753 -7.263 1.00 0.00 H new ATOM 847 N VAL A 61 -6.932 10.925 -6.810 1.00 0.00 N ATOM 848 CA VAL A 61 -7.999 10.422 -7.667 1.00 0.00 C ATOM 849 C VAL A 61 -9.105 11.458 -7.833 1.00 0.00 C ATOM 850 O VAL A 61 -9.751 11.530 -8.879 1.00 0.00 O ATOM 851 CB VAL A 61 -8.607 9.124 -7.102 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.026 9.317 -5.653 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.788 8.676 -7.951 1.00 0.00 C ATOM 0 H VAL A 61 -7.148 10.908 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.553 10.213 -8.639 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.847 8.343 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.453 8.390 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.156 9.589 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.770 10.111 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.206 7.758 -7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.552 9.454 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.454 8.495 -8.973 1.00 0.00 H new ATOM 863 N ASP A 62 -9.317 12.260 -6.796 1.00 0.00 N ATOM 864 CA ASP A 62 -10.345 13.295 -6.827 1.00 0.00 C ATOM 865 C ASP A 62 -9.733 14.675 -6.605 1.00 0.00 C ATOM 866 O ASP A 62 -10.413 15.604 -6.173 1.00 0.00 O ATOM 867 CB ASP A 62 -11.409 13.019 -5.764 1.00 0.00 C ATOM 868 CG ASP A 62 -12.775 13.542 -6.163 1.00 0.00 C ATOM 869 OD1 ASP A 62 -13.116 13.456 -7.361 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.502 14.039 -5.278 1.00 0.00 O ATOM 0 H ASP A 62 -8.791 12.214 -5.923 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.813 13.278 -7.811 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.472 11.945 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.107 13.480 -4.824 1.00 0.00 H new ATOM 875 N GLY A 63 -8.443 14.800 -6.903 1.00 0.00 N ATOM 876 CA GLY A 63 -7.761 16.069 -6.728 1.00 0.00 C ATOM 877 C GLY A 63 -7.594 16.822 -8.033 1.00 0.00 C ATOM 878 O GLY A 63 -8.092 16.391 -9.073 1.00 0.00 O ATOM 0 H GLY A 63 -7.858 14.045 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.322 16.686 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.781 15.893 -6.285 1.00 0.00 H new ATOM 882 N GLU A 64 -6.893 17.950 -7.978 1.00 0.00 N ATOM 883 CA GLU A 64 -6.665 18.765 -9.165 1.00 0.00 C ATOM 884 C GLU A 64 -5.675 18.088 -10.108 1.00 0.00 C ATOM 885 O GLU A 64 -5.949 17.921 -11.297 1.00 0.00 O ATOM 886 CB GLU A 64 -6.144 20.148 -8.769 1.00 0.00 C ATOM 887 CG GLU A 64 -7.090 20.919 -7.863 1.00 0.00 C ATOM 888 CD GLU A 64 -6.814 20.679 -6.391 1.00 0.00 C ATOM 889 OE1 GLU A 64 -7.280 19.648 -5.861 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.133 21.521 -5.770 1.00 0.00 O ATOM 0 H GLU A 64 -6.474 18.320 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.616 18.878 -9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.184 20.035 -8.265 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.963 20.731 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.003 21.984 -8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.117 20.632 -8.088 1.00 0.00 H new ATOM 897 N ASP A 65 -4.524 17.701 -9.569 1.00 0.00 N ATOM 898 CA ASP A 65 -3.493 17.041 -10.362 1.00 0.00 C ATOM 899 C ASP A 65 -3.469 15.542 -10.082 1.00 0.00 C ATOM 900 O ASP A 65 -3.481 15.115 -8.927 1.00 0.00 O ATOM 901 CB ASP A 65 -2.122 17.650 -10.062 1.00 0.00 C ATOM 902 CG ASP A 65 -1.057 17.186 -11.036 1.00 0.00 C ATOM 903 OD1 ASP A 65 -1.175 17.500 -12.239 1.00 0.00 O ATOM 904 OD2 ASP A 65 -0.105 16.510 -10.595 1.00 0.00 O ATOM 0 H ASP A 65 -4.281 17.833 -8.587 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.727 17.192 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.195 18.737 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.824 17.384 -9.048 1.00 0.00 H new ATOM 909 N ARG A 66 -3.436 14.747 -11.147 1.00 0.00 N ATOM 910 CA ARG A 66 -3.412 13.295 -11.016 1.00 0.00 C ATOM 911 C ARG A 66 -1.983 12.766 -11.083 1.00 0.00 C ATOM 912 O ARG A 66 -1.751 11.620 -11.466 1.00 0.00 O ATOM 913 CB ARG A 66 -4.258 12.649 -12.114 1.00 0.00 C ATOM 914 CG ARG A 66 -5.737 12.561 -11.772 1.00 0.00 C ATOM 915 CD ARG A 66 -6.448 13.880 -12.032 1.00 0.00 C ATOM 916 NE ARG A 66 -6.931 13.980 -13.406 1.00 0.00 N ATOM 917 CZ ARG A 66 -7.982 13.310 -13.866 1.00 0.00 C ATOM 918 NH1 ARG A 66 -8.656 12.497 -13.065 1.00 0.00 N ATOM 919 NH2 ARG A 66 -8.360 13.454 -15.130 1.00 0.00 N ATOM 0 H ARG A 66 -3.425 15.084 -12.110 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.831 13.036 -10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.140 13.220 -13.035 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.879 11.646 -12.310 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.202 11.773 -12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.854 12.284 -10.724 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.288 13.981 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.767 14.706 -11.826 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.434 14.598 -14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.368 12.385 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.463 11.984 -13.421 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.844 14.079 -15.749 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.167 12.939 -15.483 1.00 0.00 H new ATOM 933 N GLY A 67 -1.026 13.610 -10.707 1.00 0.00 N ATOM 934 CA GLY A 67 0.369 13.210 -10.732 1.00 0.00 C ATOM 935 C GLY A 67 0.674 12.108 -9.736 1.00 0.00 C ATOM 936 O GLY A 67 0.496 12.285 -8.531 1.00 0.00 O ATOM 0 H GLY A 67 -1.192 14.564 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.629 12.871 -11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.996 14.075 -10.515 1.00 0.00 H new ATOM 940 N ARG A 68 1.133 10.968 -10.241 1.00 0.00 N ATOM 941 CA ARG A 68 1.461 9.832 -9.387 1.00 0.00 C ATOM 942 C ARG A 68 2.931 9.866 -8.978 1.00 0.00 C ATOM 943 O ARG A 68 3.823 9.746 -9.818 1.00 0.00 O ATOM 944 CB ARG A 68 1.151 8.519 -10.108 1.00 0.00 C ATOM 945 CG ARG A 68 1.622 7.285 -9.354 1.00 0.00 C ATOM 946 CD ARG A 68 1.764 6.088 -10.281 1.00 0.00 C ATOM 947 NE ARG A 68 1.621 4.822 -9.565 1.00 0.00 N ATOM 948 CZ ARG A 68 1.729 3.633 -10.147 1.00 0.00 C ATOM 949 NH1 ARG A 68 1.980 3.547 -11.446 1.00 0.00 N ATOM 950 NH2 ARG A 68 1.587 2.526 -9.429 1.00 0.00 N ATOM 0 H ARG A 68 1.286 10.806 -11.236 1.00 0.00 H new ATOM 0 HA ARG A 68 0.850 9.897 -8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.075 8.448 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.620 8.535 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.579 7.492 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.914 7.050 -8.560 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.011 6.147 -11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.738 6.121 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 68 1.428 4.853 -8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.091 4.395 -12.001 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.062 2.632 -11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.395 2.588 -8.429 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.670 1.613 -9.877 1.00 0.00 H new ATOM 964 N HIS A 69 3.175 10.031 -7.682 1.00 0.00 N ATOM 965 CA HIS A 69 4.537 10.080 -7.161 1.00 0.00 C ATOM 966 C HIS A 69 5.028 8.684 -6.789 1.00 0.00 C ATOM 967 O HIS A 69 4.231 7.764 -6.603 1.00 0.00 O ATOM 968 CB HIS A 69 4.606 10.999 -5.941 1.00 0.00 C ATOM 969 CG HIS A 69 4.621 12.456 -6.288 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.615 13.318 -5.875 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.757 13.202 -7.016 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.361 14.531 -6.332 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.240 14.488 -7.028 1.00 0.00 N ATOM 0 H HIS A 69 2.448 10.133 -6.974 1.00 0.00 H new ATOM 0 HA HIS A 69 5.184 10.477 -7.943 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.751 10.797 -5.295 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.502 10.761 -5.368 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.856 12.851 -7.498 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.967 15.409 -6.165 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.803 15.281 -7.498 1.00 0.00 H new ATOM 982 N VAL A 70 6.344 8.534 -6.684 1.00 0.00 N ATOM 983 CA VAL A 70 6.941 7.250 -6.335 1.00 0.00 C ATOM 984 C VAL A 70 8.055 7.423 -5.308 1.00 0.00 C ATOM 985 O VAL A 70 8.896 8.314 -5.433 1.00 0.00 O ATOM 986 CB VAL A 70 7.510 6.539 -7.577 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.158 5.219 -7.187 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.416 6.320 -8.612 1.00 0.00 C ATOM 0 H VAL A 70 7.017 9.285 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 70 6.147 6.638 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 70 8.276 7.175 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.554 4.731 -8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.970 5.406 -6.484 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.415 4.573 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.835 5.817 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.626 5.704 -8.182 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.002 7.282 -8.913 1.00 0.00 H new ATOM 998 N VAL A 71 8.055 6.565 -4.293 1.00 0.00 N ATOM 999 CA VAL A 71 9.066 6.622 -3.244 1.00 0.00 C ATOM 1000 C VAL A 71 10.183 5.617 -3.503 1.00 0.00 C ATOM 1001 O VAL A 71 9.926 4.443 -3.767 1.00 0.00 O ATOM 1002 CB VAL A 71 8.454 6.346 -1.858 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.527 6.390 -0.781 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.345 7.344 -1.558 1.00 0.00 C ATOM 0 H VAL A 71 7.366 5.822 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 71 9.478 7.631 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 71 8.021 5.346 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.075 6.193 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.283 5.633 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.993 7.376 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.923 7.135 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.752 8.355 -1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.564 7.258 -2.314 1.00 0.00 H new ATOM 1014 N ASP A 72 11.423 6.087 -3.425 1.00 0.00 N ATOM 1015 CA ASP A 72 12.581 5.229 -3.649 1.00 0.00 C ATOM 1016 C ASP A 72 13.535 5.282 -2.460 1.00 0.00 C ATOM 1017 O ASP A 72 13.623 6.294 -1.766 1.00 0.00 O ATOM 1018 CB ASP A 72 13.313 5.647 -4.926 1.00 0.00 C ATOM 1019 CG ASP A 72 12.441 5.523 -6.160 1.00 0.00 C ATOM 1020 OD1 ASP A 72 11.743 6.503 -6.493 1.00 0.00 O ATOM 1021 OD2 ASP A 72 12.457 4.446 -6.792 1.00 0.00 O ATOM 0 H ASP A 72 11.652 7.057 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 72 12.227 4.204 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.652 6.678 -4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.203 5.030 -5.050 1.00 0.00 H new ATOM 1026 N GLY A 73 14.248 4.183 -2.231 1.00 0.00 N ATOM 1027 CA GLY A 73 15.186 4.125 -1.124 1.00 0.00 C ATOM 1028 C GLY A 73 14.509 3.799 0.192 1.00 0.00 C ATOM 1029 O GLY A 73 14.675 4.518 1.178 1.00 0.00 O ATOM 0 H GLY A 73 14.193 3.333 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.946 3.372 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.701 5.082 -1.037 1.00 0.00 H new ATOM 1033 N ILE A 74 13.743 2.713 0.209 1.00 0.00 N ATOM 1034 CA ILE A 74 13.039 2.294 1.414 1.00 0.00 C ATOM 1035 C ILE A 74 13.628 1.005 1.976 1.00 0.00 C ATOM 1036 O ILE A 74 13.808 0.026 1.252 1.00 0.00 O ATOM 1037 CB ILE A 74 11.537 2.084 1.144 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.907 3.372 0.611 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.830 1.627 2.412 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.475 3.201 0.156 1.00 0.00 C ATOM 0 H ILE A 74 13.594 2.108 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 74 13.161 3.094 2.144 1.00 0.00 H new ATOM 0 HB ILE A 74 11.424 1.307 0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.944 4.134 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.503 3.740 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.769 1.483 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.264 0.687 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.949 2.383 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.093 4.154 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.433 2.463 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.865 2.863 0.994 1.00 0.00 H new ATOM 1052 N SER A 75 13.926 1.012 3.271 1.00 0.00 N ATOM 1053 CA SER A 75 14.498 -0.157 3.930 1.00 0.00 C ATOM 1054 C SER A 75 13.525 -1.332 3.892 1.00 0.00 C ATOM 1055 O SER A 75 12.359 -1.199 4.264 1.00 0.00 O ATOM 1056 CB SER A 75 14.859 0.174 5.379 1.00 0.00 C ATOM 1057 OG SER A 75 16.189 0.652 5.477 1.00 0.00 O ATOM 0 H SER A 75 13.781 1.814 3.885 1.00 0.00 H new ATOM 0 HA SER A 75 15.403 -0.440 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.170 0.925 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.742 -0.715 5.998 1.00 0.00 H new ATOM 0 HG SER A 75 16.394 0.858 6.413 1.00 0.00 H new ATOM 1063 N ARG A 76 14.014 -2.482 3.440 1.00 0.00 N ATOM 1064 CA ARG A 76 13.188 -3.681 3.352 1.00 0.00 C ATOM 1065 C ARG A 76 12.617 -4.049 4.719 1.00 0.00 C ATOM 1066 O ARG A 76 11.597 -4.732 4.811 1.00 0.00 O ATOM 1067 CB ARG A 76 14.006 -4.849 2.798 1.00 0.00 C ATOM 1068 CG ARG A 76 15.296 -5.105 3.560 1.00 0.00 C ATOM 1069 CD ARG A 76 15.797 -6.525 3.347 1.00 0.00 C ATOM 1070 NE ARG A 76 16.755 -6.927 4.373 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.021 -6.523 4.395 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.477 -5.710 3.452 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.832 -6.933 5.361 1.00 0.00 N ATOM 0 H ARG A 76 14.977 -2.609 3.129 1.00 0.00 H new ATOM 0 HA ARG A 76 12.359 -3.473 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.396 -5.752 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.244 -4.651 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.058 -4.397 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.132 -4.932 4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.951 -7.212 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.264 -6.601 2.365 1.00 0.00 H new ATOM 0 HE ARG A 76 16.435 -7.552 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.856 -5.393 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 76 19.449 -5.401 3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.484 -7.559 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.803 -6.623 5.377 1.00 0.00 H new ATOM 1087 N GLU A 77 13.281 -3.592 5.775 1.00 0.00 N ATOM 1088 CA GLU A 77 12.840 -3.875 7.136 1.00 0.00 C ATOM 1089 C GLU A 77 11.693 -2.952 7.538 1.00 0.00 C ATOM 1090 O GLU A 77 11.319 -2.882 8.710 1.00 0.00 O ATOM 1091 CB GLU A 77 14.003 -3.718 8.117 1.00 0.00 C ATOM 1092 CG GLU A 77 14.957 -4.901 8.124 1.00 0.00 C ATOM 1093 CD GLU A 77 16.174 -4.664 8.996 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.835 -3.619 8.819 1.00 0.00 O ATOM 1095 OE2 GLU A 77 16.467 -5.522 9.854 1.00 0.00 O ATOM 0 H GLU A 77 14.126 -3.024 5.715 1.00 0.00 H new ATOM 0 HA GLU A 77 12.485 -4.905 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.559 -2.815 7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.604 -3.578 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.429 -5.787 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.280 -5.108 7.104 1.00 0.00 H new ATOM 1102 N HIS A 78 11.139 -2.244 6.559 1.00 0.00 N ATOM 1103 CA HIS A 78 10.034 -1.325 6.810 1.00 0.00 C ATOM 1104 C HIS A 78 8.829 -1.675 5.943 1.00 0.00 C ATOM 1105 O HIS A 78 8.784 -1.339 4.760 1.00 0.00 O ATOM 1106 CB HIS A 78 10.471 0.115 6.540 1.00 0.00 C ATOM 1107 CG HIS A 78 11.066 0.795 7.735 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.306 1.324 8.756 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.357 1.028 8.068 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.103 1.855 9.666 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.353 1.689 9.272 1.00 0.00 N ATOM 0 H HIS A 78 11.437 -2.289 5.585 1.00 0.00 H new ATOM 0 HA HIS A 78 9.745 -1.419 7.857 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.200 0.119 5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.610 0.689 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.228 0.747 7.494 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.787 2.342 10.577 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.181 2.001 9.780 1.00 0.00 H new ATOM 1120 N SER A 79 7.853 -2.352 6.540 1.00 0.00 N ATOM 1121 CA SER A 79 6.649 -2.751 5.822 1.00 0.00 C ATOM 1122 C SER A 79 5.633 -1.613 5.789 1.00 0.00 C ATOM 1123 O SER A 79 4.461 -1.822 5.477 1.00 0.00 O ATOM 1124 CB SER A 79 6.026 -3.987 6.474 1.00 0.00 C ATOM 1125 OG SER A 79 5.380 -3.652 7.690 1.00 0.00 O ATOM 0 H SER A 79 7.873 -2.636 7.520 1.00 0.00 H new ATOM 0 HA SER A 79 6.931 -2.993 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.308 -4.440 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.800 -4.731 6.663 1.00 0.00 H new ATOM 0 HG SER A 79 4.989 -4.459 8.086 1.00 0.00 H new ATOM 1131 N SER A 80 6.092 -0.409 6.115 1.00 0.00 N ATOM 1132 CA SER A 80 5.224 0.762 6.127 1.00 0.00 C ATOM 1133 C SER A 80 5.998 2.017 5.735 1.00 0.00 C ATOM 1134 O SER A 80 7.229 2.034 5.765 1.00 0.00 O ATOM 1135 CB SER A 80 4.601 0.947 7.512 1.00 0.00 C ATOM 1136 OG SER A 80 5.598 0.996 8.518 1.00 0.00 O ATOM 0 H SER A 80 7.060 -0.219 6.374 1.00 0.00 H new ATOM 0 HA SER A 80 4.431 0.602 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.016 1.866 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.913 0.127 7.717 1.00 0.00 H new ATOM 0 HG SER A 80 5.174 1.116 9.393 1.00 0.00 H new ATOM 1142 N TRP A 81 5.269 3.063 5.366 1.00 0.00 N ATOM 1143 CA TRP A 81 5.886 4.323 4.967 1.00 0.00 C ATOM 1144 C TRP A 81 4.974 5.502 5.287 1.00 0.00 C ATOM 1145 O TRP A 81 3.751 5.367 5.298 1.00 0.00 O ATOM 1146 CB TRP A 81 6.211 4.305 3.473 1.00 0.00 C ATOM 1147 CG TRP A 81 7.056 5.462 3.034 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.656 6.532 2.286 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.445 5.664 3.315 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.713 7.387 2.085 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.822 6.878 2.707 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.408 4.939 4.023 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.118 7.379 2.786 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.694 5.438 4.100 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.040 6.648 3.485 1.00 0.00 C ATOM 0 H TRP A 81 4.249 3.064 5.335 1.00 0.00 H new ATOM 0 HA TRP A 81 6.811 4.440 5.532 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.727 3.376 3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.280 4.309 2.906 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.656 6.684 1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.677 8.260 1.558 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.151 4.005 4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.387 8.312 2.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.446 4.885 4.644 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.054 7.011 3.564 1.00 0.00 H new ATOM 1166 N ASP A 82 5.577 6.657 5.547 1.00 0.00 N ATOM 1167 CA ASP A 82 4.818 7.861 5.867 1.00 0.00 C ATOM 1168 C ASP A 82 4.962 8.903 4.762 1.00 0.00 C ATOM 1169 O ASP A 82 5.945 9.644 4.717 1.00 0.00 O ATOM 1170 CB ASP A 82 5.285 8.445 7.200 1.00 0.00 C ATOM 1171 CG ASP A 82 6.770 8.246 7.432 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.541 8.336 6.453 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.162 8.000 8.591 1.00 0.00 O ATOM 0 H ASP A 82 6.589 6.785 5.542 1.00 0.00 H new ATOM 0 HA ASP A 82 3.766 7.587 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.056 9.510 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.728 7.979 8.013 1.00 0.00 H new ATOM 1178 N LEU A 83 3.977 8.954 3.872 1.00 0.00 N ATOM 1179 CA LEU A 83 3.994 9.905 2.766 1.00 0.00 C ATOM 1180 C LEU A 83 3.822 11.334 3.273 1.00 0.00 C ATOM 1181 O LEU A 83 3.093 11.579 4.234 1.00 0.00 O ATOM 1182 CB LEU A 83 2.888 9.571 1.763 1.00 0.00 C ATOM 1183 CG LEU A 83 2.919 8.160 1.176 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.679 7.906 0.332 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.180 7.954 0.349 1.00 0.00 C ATOM 0 H LEU A 83 3.157 8.348 3.895 1.00 0.00 H new ATOM 0 HA LEU A 83 4.961 9.829 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.925 9.719 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.942 10.286 0.942 1.00 0.00 H new ATOM 0 HG LEU A 83 2.927 7.445 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.718 6.897 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.789 8.011 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.640 8.628 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.185 6.944 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.202 8.677 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.057 8.093 0.982 1.00 0.00 H new ATOM 1197 N VAL A 84 4.497 12.274 2.619 1.00 0.00 N ATOM 1198 CA VAL A 84 4.416 13.678 3.001 1.00 0.00 C ATOM 1199 C VAL A 84 4.440 14.584 1.775 1.00 0.00 C ATOM 1200 O VAL A 84 5.340 14.495 0.942 1.00 0.00 O ATOM 1201 CB VAL A 84 5.573 14.072 3.939 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.572 13.199 5.184 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.905 13.976 3.211 1.00 0.00 C ATOM 0 H VAL A 84 5.106 12.088 1.822 1.00 0.00 H new ATOM 0 HA VAL A 84 3.470 13.808 3.527 1.00 0.00 H new ATOM 0 HB VAL A 84 5.429 15.107 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.396 13.492 5.834 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.628 13.324 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.691 12.154 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.711 14.258 3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.060 12.953 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.900 14.649 2.353 1.00 0.00 H new ATOM 1213 N GLY A 85 3.442 15.457 1.671 1.00 0.00 N ATOM 1214 CA GLY A 85 3.367 16.367 0.543 1.00 0.00 C ATOM 1215 C GLY A 85 2.159 16.106 -0.334 1.00 0.00 C ATOM 1216 O GLY A 85 2.260 16.113 -1.561 1.00 0.00 O ATOM 0 H GLY A 85 2.685 15.550 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.331 17.393 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.273 16.274 -0.055 1.00 0.00 H new ATOM 1220 N LEU A 86 1.013 15.872 0.296 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.221 15.605 -0.435 1.00 0.00 C ATOM 1222 C LEU A 86 -1.220 16.744 -0.253 1.00 0.00 C ATOM 1223 O LEU A 86 -0.919 17.747 0.393 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.841 14.288 0.035 1.00 0.00 C ATOM 1225 CG LEU A 86 0.103 13.087 0.100 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.611 11.878 0.683 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.656 12.768 -1.282 1.00 0.00 C ATOM 0 H LEU A 86 0.913 15.862 1.311 1.00 0.00 H new ATOM 0 HA LEU A 86 0.024 15.527 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.267 14.444 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.667 14.040 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 86 0.938 13.340 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.076 11.033 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.957 12.110 1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.465 11.623 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.326 11.911 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.167 12.535 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.205 13.629 -1.662 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.408 16.580 -0.826 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.451 17.594 -0.724 1.00 0.00 C ATOM 1241 C GLU A 87 -4.252 17.424 0.563 1.00 0.00 C ATOM 1242 O GLU A 87 -4.216 16.369 1.196 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.386 17.518 -1.933 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.009 18.853 -2.305 1.00 0.00 C ATOM 1245 CD GLU A 87 -3.991 19.846 -2.832 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.533 19.671 -3.981 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -3.653 20.797 -2.097 1.00 0.00 O ATOM 0 H GLU A 87 -2.672 15.755 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.970 18.572 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.830 17.135 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.180 16.802 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.779 18.693 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.503 19.275 -1.430 1.00 0.00 H new ATOM 1254 N LYS A 88 -4.974 18.472 0.946 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.785 18.441 2.157 1.00 0.00 C ATOM 1256 C LYS A 88 -7.217 18.018 1.843 1.00 0.00 C ATOM 1257 O LYS A 88 -7.805 18.467 0.859 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.785 19.815 2.831 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.394 20.382 3.055 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.407 21.902 3.069 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.056 22.474 2.668 1.00 0.00 C ATOM 1262 NZ LYS A 88 -2.942 22.644 1.193 1.00 0.00 N ATOM 0 H LYS A 88 -5.014 19.354 0.435 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.349 17.709 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.358 20.511 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.297 19.740 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.997 20.012 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.726 20.030 2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.175 22.267 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.672 22.256 4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.910 23.437 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.263 21.814 3.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.007 23.036 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.056 21.721 0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.683 23.294 0.860 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.771 17.152 2.684 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.134 16.670 2.496 1.00 0.00 C ATOM 1278 C TRP A 89 -9.333 16.137 1.081 1.00 0.00 C ATOM 1279 O TRP A 89 -10.306 16.479 0.408 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.137 17.790 2.778 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.418 17.301 3.382 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.579 16.217 4.198 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.718 17.878 3.217 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -12.901 16.086 4.549 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.620 17.093 3.962 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.208 18.983 2.515 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -14.982 17.378 4.021 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.560 19.264 2.575 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.434 18.465 3.324 1.00 0.00 C ATOM 0 H TRP A 89 -7.297 16.769 3.502 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.304 15.854 3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.680 18.516 3.451 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.359 18.313 1.847 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.784 15.560 4.520 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.285 15.357 5.150 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.542 19.606 1.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.658 16.763 4.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.950 20.114 2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.485 18.712 3.352 1.00 0.00 H new ATOM 1300 N THR A 90 -8.404 15.298 0.633 1.00 0.00 N ATOM 1301 CA THR A 90 -8.478 14.719 -0.703 1.00 0.00 C ATOM 1302 C THR A 90 -8.059 13.253 -0.691 1.00 0.00 C ATOM 1303 O THR A 90 -7.078 12.884 -0.046 1.00 0.00 O ATOM 1304 CB THR A 90 -7.587 15.487 -1.697 1.00 0.00 C ATOM 1305 OG1 THR A 90 -7.930 16.877 -1.690 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.741 14.929 -3.104 1.00 0.00 C ATOM 0 H THR A 90 -7.592 15.004 1.176 1.00 0.00 H new ATOM 0 HA THR A 90 -9.517 14.794 -1.023 1.00 0.00 H new ATOM 0 HB THR A 90 -6.549 15.368 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.744 17.255 -0.805 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.102 15.487 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.451 13.878 -3.112 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.780 15.021 -3.420 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.809 12.422 -1.407 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.514 10.996 -1.478 1.00 0.00 C ATOM 1316 C GLU A 91 -7.257 10.740 -2.305 1.00 0.00 C ATOM 1317 O GLU A 91 -6.975 11.459 -3.264 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.698 10.237 -2.081 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.818 8.805 -1.588 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.199 8.222 -1.819 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.610 8.119 -2.993 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.867 7.869 -0.825 1.00 0.00 O ATOM 0 H GLU A 91 -9.625 12.711 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.340 10.637 -0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.619 10.771 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.600 10.232 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.077 8.187 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.587 8.771 -0.523 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.506 9.713 -1.926 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.278 9.363 -2.630 1.00 0.00 C ATOM 1331 C TYR A 92 -5.098 7.849 -2.693 1.00 0.00 C ATOM 1332 O TYR A 92 -5.165 7.162 -1.674 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.071 10.003 -1.941 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.783 11.411 -2.410 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.417 12.502 -1.827 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.876 11.651 -3.435 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.157 13.790 -2.253 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.609 12.936 -3.866 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.252 14.002 -3.272 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.990 15.284 -3.699 1.00 0.00 O ATOM 0 H TYR A 92 -6.726 9.108 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.352 9.744 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.242 10.015 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.192 9.383 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.125 12.340 -1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.371 10.819 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.660 14.627 -1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.901 13.105 -4.664 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.329 15.259 -4.422 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.868 7.338 -3.898 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.679 5.906 -4.096 1.00 0.00 C ATOM 1352 C ARG A 93 -3.212 5.523 -3.928 1.00 0.00 C ATOM 1353 O ARG A 93 -2.374 5.845 -4.771 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.169 5.492 -5.485 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.666 5.668 -5.680 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.066 5.468 -7.134 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.516 5.433 -7.303 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.283 4.438 -6.870 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.740 3.402 -6.246 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.595 4.478 -7.061 1.00 0.00 N ATOM 0 H ARG A 93 -4.808 7.894 -4.751 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.263 5.380 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.642 6.079 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.909 4.447 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.202 4.956 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.962 6.665 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.650 6.274 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.635 4.537 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.965 6.215 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.731 3.368 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.331 2.639 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.016 5.273 -7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.182 3.713 -6.728 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.907 4.834 -2.833 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.541 4.406 -2.554 1.00 0.00 C ATOM 1376 C VAL A 94 -1.305 2.977 -3.028 1.00 0.00 C ATOM 1377 O VAL A 94 -2.125 2.090 -2.790 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.221 4.496 -1.050 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.190 3.999 -0.773 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.400 5.922 -0.552 1.00 0.00 C ATOM 0 H VAL A 94 -3.588 4.560 -2.124 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.881 5.080 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.918 3.856 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.398 4.070 0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.279 2.960 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.906 4.610 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.170 5.967 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.728 6.585 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.431 6.237 -0.714 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.179 2.761 -3.699 1.00 0.00 N ATOM 1391 CA TRP A 95 0.165 1.438 -4.206 1.00 0.00 C ATOM 1392 C TRP A 95 1.564 1.029 -3.756 1.00 0.00 C ATOM 1393 O TRP A 95 2.558 1.629 -4.165 1.00 0.00 O ATOM 1394 CB TRP A 95 0.082 1.417 -5.734 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.253 1.848 -6.261 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.364 1.069 -6.417 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.616 3.161 -6.704 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.395 1.817 -6.930 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.963 3.104 -7.114 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -0.936 4.378 -6.791 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.639 4.218 -7.605 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.608 5.483 -7.279 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -2.948 5.397 -7.680 1.00 0.00 C ATOM 0 H TRP A 95 0.510 3.484 -3.904 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.551 0.724 -3.800 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.854 2.070 -6.142 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.297 0.409 -6.089 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.423 0.019 -6.173 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.331 1.470 -7.140 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.096 4.454 -6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.671 4.154 -7.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.092 6.429 -7.352 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.445 6.279 -8.056 1.00 0.00 H new ATOM 1414 N VAL A 96 1.633 0.005 -2.911 1.00 0.00 N ATOM 1415 CA VAL A 96 2.910 -0.484 -2.407 1.00 0.00 C ATOM 1416 C VAL A 96 3.217 -1.877 -2.945 1.00 0.00 C ATOM 1417 O VAL A 96 2.383 -2.780 -2.868 1.00 0.00 O ATOM 1418 CB VAL A 96 2.927 -0.525 -0.867 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.729 -1.302 -0.341 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.229 -1.132 -0.365 1.00 0.00 C ATOM 0 H VAL A 96 0.820 -0.501 -2.562 1.00 0.00 H new ATOM 0 HA VAL A 96 3.674 0.212 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 96 2.861 0.496 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.757 -1.321 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.809 -0.820 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.761 -2.323 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.224 -1.153 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.328 -2.148 -0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.069 -0.530 -0.712 1.00 0.00 H new ATOM 1430 N ARG A 97 4.417 -2.045 -3.489 1.00 0.00 N ATOM 1431 CA ARG A 97 4.834 -3.328 -4.041 1.00 0.00 C ATOM 1432 C ARG A 97 6.095 -3.835 -3.347 1.00 0.00 C ATOM 1433 O ARG A 97 6.721 -3.113 -2.572 1.00 0.00 O ATOM 1434 CB ARG A 97 5.081 -3.204 -5.545 1.00 0.00 C ATOM 1435 CG ARG A 97 6.252 -2.301 -5.898 1.00 0.00 C ATOM 1436 CD ARG A 97 6.046 -1.623 -7.243 1.00 0.00 C ATOM 1437 NE ARG A 97 4.985 -0.620 -7.194 1.00 0.00 N ATOM 1438 CZ ARG A 97 4.829 0.330 -8.110 1.00 0.00 C ATOM 1439 NH1 ARG A 97 5.660 0.406 -9.139 1.00 0.00 N ATOM 1440 NH2 ARG A 97 3.839 1.206 -7.996 1.00 0.00 N ATOM 0 H ARG A 97 5.119 -1.308 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 97 4.032 -4.046 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.261 -4.197 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 97 4.180 -2.819 -6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 97 6.376 -1.545 -5.123 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.171 -2.887 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.977 -1.151 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.800 -2.374 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 97 4.328 -0.651 -6.414 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.422 -0.266 -9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.538 1.136 -9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.197 1.150 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.720 1.935 -8.699 1.00 0.00 H new ATOM 1454 N ALA A 98 6.462 -5.080 -3.632 1.00 0.00 N ATOM 1455 CA ALA A 98 7.648 -5.682 -3.037 1.00 0.00 C ATOM 1456 C ALA A 98 8.684 -6.024 -4.103 1.00 0.00 C ATOM 1457 O ALA A 98 8.433 -6.844 -4.987 1.00 0.00 O ATOM 1458 CB ALA A 98 7.269 -6.927 -2.249 1.00 0.00 C ATOM 0 H ALA A 98 5.955 -5.691 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 98 8.091 -4.955 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.165 -7.366 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.571 -6.657 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.799 -7.650 -2.915 1.00 0.00 H new ATOM 1464 N HIS A 99 9.848 -5.389 -4.015 1.00 0.00 N ATOM 1465 CA HIS A 99 10.923 -5.625 -4.973 1.00 0.00 C ATOM 1466 C HIS A 99 11.832 -6.756 -4.502 1.00 0.00 C ATOM 1467 O HIS A 99 12.137 -6.868 -3.314 1.00 0.00 O ATOM 1468 CB HIS A 99 11.740 -4.350 -5.180 1.00 0.00 C ATOM 1469 CG HIS A 99 11.142 -3.411 -6.182 1.00 0.00 C ATOM 1470 ND1 HIS A 99 10.026 -2.645 -5.923 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.513 -3.116 -7.450 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.735 -1.920 -6.988 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.623 -2.187 -7.929 1.00 0.00 N ATOM 0 H HIS A 99 10.071 -4.707 -3.290 1.00 0.00 H new ATOM 0 HA HIS A 99 10.473 -5.916 -5.922 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.840 -3.834 -4.225 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.745 -4.621 -5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.353 -3.534 -7.985 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.911 -1.227 -7.075 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.644 -1.771 -8.860 1.00 0.00 H new ATOM 1482 N THR A 100 12.262 -7.594 -5.440 1.00 0.00 N ATOM 1483 CA THR A 100 13.134 -8.717 -5.120 1.00 0.00 C ATOM 1484 C THR A 100 14.491 -8.569 -5.798 1.00 0.00 C ATOM 1485 O THR A 100 14.646 -7.785 -6.735 1.00 0.00 O ATOM 1486 CB THR A 100 12.504 -10.057 -5.545 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.885 -9.922 -6.829 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.473 -10.517 -4.525 1.00 0.00 C ATOM 0 H THR A 100 12.020 -7.516 -6.428 1.00 0.00 H new ATOM 0 HA THR A 100 13.269 -8.714 -4.038 1.00 0.00 H new ATOM 0 HB THR A 100 13.296 -10.804 -5.601 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.360 -9.242 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.041 -11.465 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.953 -10.647 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.684 -9.769 -4.442 1.00 0.00 H new ATOM 1496 N ASP A 101 15.472 -9.328 -5.320 1.00 0.00 N ATOM 1497 CA ASP A 101 16.817 -9.282 -5.882 1.00 0.00 C ATOM 1498 C ASP A 101 16.802 -9.663 -7.359 1.00 0.00 C ATOM 1499 O ASP A 101 17.672 -9.251 -8.126 1.00 0.00 O ATOM 1500 CB ASP A 101 17.747 -10.220 -5.110 1.00 0.00 C ATOM 1501 CG ASP A 101 18.911 -10.703 -5.953 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.796 -9.880 -6.270 1.00 0.00 O ATOM 1503 OD2 ASP A 101 18.938 -11.904 -6.294 1.00 0.00 O ATOM 0 H ASP A 101 15.361 -9.982 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 101 17.187 -8.261 -5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.129 -9.704 -4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.178 -11.079 -4.754 1.00 0.00 H new ATOM 1508 N VAL A 102 15.807 -10.454 -7.751 1.00 0.00 N ATOM 1509 CA VAL A 102 15.679 -10.891 -9.136 1.00 0.00 C ATOM 1510 C VAL A 102 15.068 -9.796 -10.003 1.00 0.00 C ATOM 1511 O VAL A 102 15.326 -9.724 -11.204 1.00 0.00 O ATOM 1512 CB VAL A 102 14.814 -12.160 -9.246 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.479 -13.324 -8.528 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.421 -11.906 -8.689 1.00 0.00 C ATOM 0 H VAL A 102 15.079 -10.805 -7.129 1.00 0.00 H new ATOM 0 HA VAL A 102 16.685 -11.114 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 102 14.717 -12.421 -10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.853 -14.212 -8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.453 -13.520 -8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.609 -13.075 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.824 -12.814 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.495 -11.619 -7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.945 -11.104 -9.252 1.00 0.00 H new ATOM 1524 N GLY A 103 14.255 -8.944 -9.386 1.00 0.00 N ATOM 1525 CA GLY A 103 13.619 -7.863 -10.117 1.00 0.00 C ATOM 1526 C GLY A 103 12.406 -7.310 -9.395 1.00 0.00 C ATOM 1527 O GLY A 103 12.063 -7.740 -8.294 1.00 0.00 O ATOM 0 H GLY A 103 14.025 -8.983 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.341 -7.062 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.320 -8.221 -11.102 1.00 0.00 H new ATOM 1531 N PRO A 104 11.735 -6.333 -10.022 1.00 0.00 N ATOM 1532 CA PRO A 104 10.543 -5.698 -9.450 1.00 0.00 C ATOM 1533 C PRO A 104 9.343 -6.638 -9.422 1.00 0.00 C ATOM 1534 O PRO A 104 9.373 -7.717 -10.013 1.00 0.00 O ATOM 1535 CB PRO A 104 10.280 -4.523 -10.394 1.00 0.00 C ATOM 1536 CG PRO A 104 10.889 -4.933 -11.690 1.00 0.00 C ATOM 1537 CD PRO A 104 12.087 -5.771 -11.337 1.00 0.00 C ATOM 0 HA PRO A 104 10.697 -5.402 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.212 -4.333 -10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.731 -3.605 -10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.180 -5.500 -12.293 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.181 -4.062 -12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.261 -6.554 -12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.996 -5.172 -11.288 1.00 0.00 H new ATOM 1545 N GLY A 105 8.286 -6.221 -8.732 1.00 0.00 N ATOM 1546 CA GLY A 105 7.090 -7.038 -8.640 1.00 0.00 C ATOM 1547 C GLY A 105 5.825 -6.247 -8.906 1.00 0.00 C ATOM 1548 O GLY A 105 5.860 -5.035 -9.123 1.00 0.00 O ATOM 0 H GLY A 105 8.237 -5.332 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.159 -7.858 -9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.034 -7.484 -7.647 1.00 0.00 H new ATOM 1552 N PRO A 106 4.676 -6.938 -8.893 1.00 0.00 N ATOM 1553 CA PRO A 106 3.373 -6.312 -9.134 1.00 0.00 C ATOM 1554 C PRO A 106 2.949 -5.396 -7.991 1.00 0.00 C ATOM 1555 O PRO A 106 3.650 -5.278 -6.986 1.00 0.00 O ATOM 1556 CB PRO A 106 2.420 -7.505 -9.245 1.00 0.00 C ATOM 1557 CG PRO A 106 3.081 -8.590 -8.466 1.00 0.00 C ATOM 1558 CD PRO A 106 4.560 -8.384 -8.641 1.00 0.00 C ATOM 0 HA PRO A 106 3.385 -5.675 -10.019 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.438 -7.267 -8.837 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.271 -7.798 -10.284 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.802 -8.540 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.778 -9.572 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.115 -8.683 -7.752 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.952 -8.969 -9.473 1.00 0.00 H new ATOM 1566 N GLU A 107 1.798 -4.750 -8.151 1.00 0.00 N ATOM 1567 CA GLU A 107 1.282 -3.845 -7.131 1.00 0.00 C ATOM 1568 C GLU A 107 0.341 -4.578 -6.179 1.00 0.00 C ATOM 1569 O GLU A 107 0.098 -5.775 -6.328 1.00 0.00 O ATOM 1570 CB GLU A 107 0.552 -2.669 -7.783 1.00 0.00 C ATOM 1571 CG GLU A 107 1.475 -1.707 -8.510 1.00 0.00 C ATOM 1572 CD GLU A 107 1.733 -2.118 -9.946 1.00 0.00 C ATOM 1573 OE1 GLU A 107 2.189 -3.260 -10.163 1.00 0.00 O ATOM 1574 OE2 GLU A 107 1.480 -1.298 -10.853 1.00 0.00 O ATOM 0 H GLU A 107 1.206 -4.837 -8.977 1.00 0.00 H new ATOM 0 HA GLU A 107 2.127 -3.465 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.184 -3.055 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.003 -2.123 -7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.038 -0.709 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.424 -1.647 -7.977 1.00 0.00 H new ATOM 1581 N SER A 108 -0.184 -3.849 -5.199 1.00 0.00 N ATOM 1582 CA SER A 108 -1.095 -4.430 -4.219 1.00 0.00 C ATOM 1583 C SER A 108 -2.437 -3.705 -4.229 1.00 0.00 C ATOM 1584 O SER A 108 -2.645 -2.770 -5.002 1.00 0.00 O ATOM 1585 CB SER A 108 -0.479 -4.368 -2.820 1.00 0.00 C ATOM 1586 OG SER A 108 -0.355 -3.028 -2.376 1.00 0.00 O ATOM 0 H SER A 108 0.006 -2.856 -5.063 1.00 0.00 H new ATOM 0 HA SER A 108 -1.263 -5.473 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.099 -4.930 -2.121 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.502 -4.843 -2.830 1.00 0.00 H new ATOM 0 HG SER A 108 0.576 -2.737 -2.469 1.00 0.00 H new ATOM 1592 N SER A 109 -3.346 -4.144 -3.364 1.00 0.00 N ATOM 1593 CA SER A 109 -4.671 -3.541 -3.274 1.00 0.00 C ATOM 1594 C SER A 109 -4.588 -2.131 -2.697 1.00 0.00 C ATOM 1595 O SER A 109 -4.247 -1.929 -1.531 1.00 0.00 O ATOM 1596 CB SER A 109 -5.590 -4.405 -2.409 1.00 0.00 C ATOM 1597 OG SER A 109 -6.911 -3.890 -2.397 1.00 0.00 O ATOM 0 H SER A 109 -3.189 -4.915 -2.715 1.00 0.00 H new ATOM 0 HA SER A 109 -5.084 -3.479 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.598 -5.427 -2.789 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.203 -4.447 -1.391 1.00 0.00 H new ATOM 0 HG SER A 109 -7.480 -4.461 -1.839 1.00 0.00 H new ATOM 1603 N PRO A 110 -4.905 -1.131 -3.532 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.875 0.278 -3.128 1.00 0.00 C ATOM 1605 C PRO A 110 -5.984 0.621 -2.139 1.00 0.00 C ATOM 1606 O PRO A 110 -7.132 0.214 -2.312 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.083 1.029 -4.446 1.00 0.00 C ATOM 1608 CG PRO A 110 -5.815 0.069 -5.318 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.320 -1.299 -4.936 1.00 0.00 C ATOM 0 HA PRO A 110 -3.948 0.536 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.657 1.943 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.131 1.320 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.892 0.150 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.622 0.274 -6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.102 -2.052 -5.037 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.489 -1.616 -5.566 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.632 1.373 -1.101 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.598 1.773 -0.084 1.00 0.00 C ATOM 1619 C VAL A 111 -6.942 3.253 -0.205 1.00 0.00 C ATOM 1620 O VAL A 111 -6.057 4.109 -0.211 1.00 0.00 O ATOM 1621 CB VAL A 111 -6.066 1.494 1.335 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -7.024 2.044 2.381 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.842 0.003 1.536 1.00 0.00 C ATOM 0 H VAL A 111 -4.685 1.718 -0.942 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.497 1.180 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.108 2.001 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.632 1.838 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.129 3.121 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.998 1.568 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.466 -0.176 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.784 -0.528 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.115 -0.357 0.808 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.234 3.548 -0.300 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.697 4.926 -0.420 1.00 0.00 C ATOM 1635 C LEU A 112 -8.727 5.611 0.942 1.00 0.00 C ATOM 1636 O LEU A 112 -9.474 5.209 1.835 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.088 4.964 -1.054 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.230 4.264 -2.406 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.679 4.278 -2.866 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.332 4.921 -3.444 1.00 0.00 C ATOM 0 H LEU A 112 -8.979 2.852 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.998 5.464 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.795 4.512 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.382 6.007 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.918 3.226 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.760 3.775 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.298 3.760 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.019 5.309 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.446 4.410 -4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.612 5.968 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.293 4.856 -3.120 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.912 6.650 1.095 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.848 7.393 2.348 1.00 0.00 C ATOM 1654 C VAL A 113 -8.083 8.882 2.116 1.00 0.00 C ATOM 1655 O VAL A 113 -7.521 9.473 1.194 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.488 7.202 3.045 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.351 5.780 3.567 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.350 7.541 2.094 1.00 0.00 C ATOM 0 H VAL A 113 -7.287 6.996 0.367 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.636 6.999 2.990 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.436 7.882 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.384 5.664 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.147 5.577 4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.424 5.079 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.396 7.401 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.396 6.887 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.441 8.579 1.773 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.916 9.482 2.960 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.226 10.902 2.846 1.00 0.00 C ATOM 1670 C ARG A 114 -8.541 11.698 3.953 1.00 0.00 C ATOM 1671 O ARG A 114 -8.891 11.577 5.128 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.739 11.122 2.907 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.140 12.586 2.971 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.492 12.765 3.644 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.591 12.712 2.684 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.849 12.452 3.022 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -15.165 12.223 4.290 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.795 12.421 2.092 1.00 0.00 N ATOM 0 H ARG A 114 -9.388 9.007 3.730 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.853 11.254 1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.199 10.666 2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.137 10.607 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.383 13.148 3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.177 12.999 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.629 11.987 4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.513 13.721 4.167 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.381 12.884 1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -14.441 12.246 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -16.132 12.024 4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.557 12.597 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -16.761 12.221 2.353 1.00 0.00 H new ATOM 1692 N THR A 115 -7.562 12.512 3.571 1.00 0.00 N ATOM 1693 CA THR A 115 -6.827 13.327 4.530 1.00 0.00 C ATOM 1694 C THR A 115 -7.768 14.226 5.324 1.00 0.00 C ATOM 1695 O THR A 115 -8.885 14.509 4.889 1.00 0.00 O ATOM 1696 CB THR A 115 -5.769 14.200 3.830 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.370 14.931 2.755 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.629 13.346 3.295 1.00 0.00 C ATOM 0 H THR A 115 -7.260 12.624 2.603 1.00 0.00 H new ATOM 0 HA THR A 115 -6.327 12.639 5.211 1.00 0.00 H new ATOM 0 HB THR A 115 -5.365 14.899 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.674 15.400 2.249 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.895 13.985 2.805 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.155 12.814 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.020 12.626 2.576 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.310 14.672 6.488 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.111 15.542 7.342 1.00 0.00 C ATOM 1708 C ASP A 116 -8.573 16.778 6.577 1.00 0.00 C ATOM 1709 O ASP A 116 -8.012 17.122 5.538 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.310 15.959 8.576 1.00 0.00 C ATOM 1711 CG ASP A 116 -8.188 16.165 9.794 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -9.014 15.275 10.087 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.050 17.216 10.455 1.00 0.00 O ATOM 0 H ASP A 116 -6.388 14.446 6.862 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.992 14.985 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.563 15.196 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.770 16.881 8.361 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.600 17.442 7.100 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.138 18.639 6.465 1.00 0.00 C ATOM 1720 C GLU A 117 -9.652 19.898 7.178 1.00 0.00 C ATOM 1721 O GLU A 117 -9.606 19.949 8.407 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.667 18.599 6.462 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.279 18.636 7.853 1.00 0.00 C ATOM 1724 CD GLU A 117 -12.304 17.273 8.516 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -12.906 16.343 7.940 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -11.721 17.136 9.612 1.00 0.00 O ATOM 0 H GLU A 117 -10.075 17.171 7.961 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.781 18.665 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.043 19.444 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.998 17.694 5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.713 19.329 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.296 19.023 7.788 1.00 0.00 H new ATOM 1733 N ASP A 118 -9.291 20.911 6.397 1.00 0.00 N ATOM 1734 CA ASP A 118 -8.810 22.170 6.953 1.00 0.00 C ATOM 1735 C ASP A 118 -9.841 22.776 7.900 1.00 0.00 C ATOM 1736 O ASP A 118 -9.538 23.076 9.055 1.00 0.00 O ATOM 1737 CB ASP A 118 -8.488 23.157 5.830 1.00 0.00 C ATOM 1738 CG ASP A 118 -8.221 24.557 6.348 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -9.173 25.198 6.839 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -7.061 25.011 6.262 1.00 0.00 O ATOM 0 H ASP A 118 -9.322 20.884 5.378 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.901 21.965 7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.616 22.804 5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.320 23.186 5.126 1.00 0.00 H new ATOM 1745 N VAL A 119 -11.061 22.955 7.402 1.00 0.00 N ATOM 1746 CA VAL A 119 -12.137 23.525 8.203 1.00 0.00 C ATOM 1747 C VAL A 119 -12.575 22.562 9.301 1.00 0.00 C ATOM 1748 O VAL A 119 -12.460 21.343 9.173 1.00 0.00 O ATOM 1749 CB VAL A 119 -13.356 23.882 7.332 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -13.005 24.988 6.349 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -13.868 22.650 6.602 1.00 0.00 C ATOM 0 H VAL A 119 -11.328 22.713 6.448 1.00 0.00 H new ATOM 0 HA VAL A 119 -11.745 24.435 8.657 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.151 24.247 7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.879 25.226 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.691 25.876 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -12.194 24.655 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.729 22.921 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.080 22.253 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.162 21.893 7.329 1.00 0.00 H new ATOM 1761 N PRO A 120 -13.090 23.119 10.406 1.00 0.00 N ATOM 1762 CA PRO A 120 -13.558 22.328 11.548 1.00 0.00 C ATOM 1763 C PRO A 120 -14.828 21.547 11.231 1.00 0.00 C ATOM 1764 O PRO A 120 -15.392 20.882 12.100 1.00 0.00 O ATOM 1765 CB PRO A 120 -13.832 23.383 12.623 1.00 0.00 C ATOM 1766 CG PRO A 120 -14.111 24.634 11.863 1.00 0.00 C ATOM 1767 CD PRO A 120 -13.258 24.566 10.627 1.00 0.00 C ATOM 0 HA PRO A 120 -12.829 21.575 11.848 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -14.680 23.101 13.247 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.975 23.505 13.286 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -15.167 24.706 11.605 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -13.867 25.514 12.458 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -13.742 25.048 9.778 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -12.299 25.064 10.773 1.00 0.00 H new ATOM 1775 N SER A 121 -15.273 21.632 9.982 1.00 0.00 N ATOM 1776 CA SER A 121 -16.480 20.935 9.551 1.00 0.00 C ATOM 1777 C SER A 121 -17.654 21.264 10.469 1.00 0.00 C ATOM 1778 O SER A 121 -18.347 20.371 10.953 1.00 0.00 O ATOM 1779 CB SER A 121 -16.242 19.424 9.530 1.00 0.00 C ATOM 1780 OG SER A 121 -17.257 18.758 8.799 1.00 0.00 O ATOM 0 H SER A 121 -14.816 22.176 9.250 1.00 0.00 H new ATOM 0 HA SER A 121 -16.724 21.271 8.543 1.00 0.00 H new ATOM 0 HB2 SER A 121 -15.270 19.212 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 121 -16.215 19.043 10.551 1.00 0.00 H new ATOM 0 HG SER A 121 -18.132 18.968 9.188 1.00 0.00 H new ATOM 1786 N GLY A 122 -17.870 22.555 10.703 1.00 0.00 N ATOM 1787 CA GLY A 122 -18.960 22.981 11.562 1.00 0.00 C ATOM 1788 C GLY A 122 -19.089 22.121 12.804 1.00 0.00 C ATOM 1789 O GLY A 122 -19.797 21.114 12.817 1.00 0.00 O ATOM 0 H GLY A 122 -17.310 23.313 10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -18.802 24.018 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -19.894 22.948 11.002 1.00 0.00 H new ATOM 1793 N PRO A 123 -18.391 22.519 13.878 1.00 0.00 N ATOM 1794 CA PRO A 123 -18.414 21.791 15.150 1.00 0.00 C ATOM 1795 C PRO A 123 -19.759 21.905 15.859 1.00 0.00 C ATOM 1796 O PRO A 123 -20.260 22.999 16.120 1.00 0.00 O ATOM 1797 CB PRO A 123 -17.317 22.475 15.970 1.00 0.00 C ATOM 1798 CG PRO A 123 -17.218 23.847 15.399 1.00 0.00 C ATOM 1799 CD PRO A 123 -17.527 23.709 13.934 1.00 0.00 C ATOM 0 HA PRO A 123 -18.257 20.721 15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -17.574 22.504 17.029 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -16.370 21.942 15.887 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.922 24.523 15.884 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.221 24.262 15.550 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.034 24.592 13.545 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -16.621 23.576 13.343 1.00 0.00 H new ATOM 1807 N PRO A 124 -20.360 20.749 16.181 1.00 0.00 N ATOM 1808 CA PRO A 124 -21.655 20.694 16.866 1.00 0.00 C ATOM 1809 C PRO A 124 -21.565 21.164 18.314 1.00 0.00 C ATOM 1810 O PRO A 124 -20.507 21.596 18.772 1.00 0.00 O ATOM 1811 CB PRO A 124 -22.024 19.210 16.807 1.00 0.00 C ATOM 1812 CG PRO A 124 -20.719 18.499 16.693 1.00 0.00 C ATOM 1813 CD PRO A 124 -19.820 19.408 15.901 1.00 0.00 C ATOM 0 HA PRO A 124 -22.391 21.349 16.400 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -22.566 18.901 17.701 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -22.667 18.996 15.954 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -20.298 18.295 17.678 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -20.841 17.538 16.193 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -18.780 19.319 16.216 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -19.851 19.176 14.836 1.00 0.00 H new ATOM 1821 N ARG A 125 -22.681 21.076 19.030 1.00 0.00 N ATOM 1822 CA ARG A 125 -22.729 21.494 20.426 1.00 0.00 C ATOM 1823 C ARG A 125 -21.776 20.658 21.275 1.00 0.00 C ATOM 1824 O ARG A 125 -21.128 19.736 20.778 1.00 0.00 O ATOM 1825 CB ARG A 125 -24.154 21.372 20.969 1.00 0.00 C ATOM 1826 CG ARG A 125 -24.654 19.938 21.051 1.00 0.00 C ATOM 1827 CD ARG A 125 -25.718 19.780 22.126 1.00 0.00 C ATOM 1828 NE ARG A 125 -26.565 18.614 21.890 1.00 0.00 N ATOM 1829 CZ ARG A 125 -27.303 18.039 22.833 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -27.298 18.520 24.068 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -28.048 16.981 22.540 1.00 0.00 N ATOM 0 H ARG A 125 -23.564 20.719 18.666 1.00 0.00 H new ATOM 0 HA ARG A 125 -22.417 22.537 20.479 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -24.195 21.819 21.962 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -24.827 21.947 20.332 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -25.063 19.638 20.086 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -23.818 19.272 21.264 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -25.238 19.688 23.100 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -26.337 20.677 22.158 1.00 0.00 H new ATOM 0 HE ARG A 125 -26.591 18.220 20.950 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -26.727 19.334 24.296 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -27.866 18.077 24.790 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -28.054 16.609 21.590 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -28.615 16.540 23.264 1.00 0.00 H new ATOM 1845 N LYS A 126 -21.695 20.986 22.560 1.00 0.00 N ATOM 1846 CA LYS A 126 -20.822 20.266 23.481 1.00 0.00 C ATOM 1847 C LYS A 126 -21.373 18.875 23.777 1.00 0.00 C ATOM 1848 O LYS A 126 -22.578 18.642 23.689 1.00 0.00 O ATOM 1849 CB LYS A 126 -20.663 21.052 24.784 1.00 0.00 C ATOM 1850 CG LYS A 126 -21.966 21.245 25.541 1.00 0.00 C ATOM 1851 CD LYS A 126 -21.720 21.504 27.018 1.00 0.00 C ATOM 1852 CE LYS A 126 -23.019 21.777 27.760 1.00 0.00 C ATOM 1853 NZ LYS A 126 -22.904 21.471 29.212 1.00 0.00 N ATOM 0 H LYS A 126 -22.223 21.746 22.988 1.00 0.00 H new ATOM 0 HA LYS A 126 -19.846 20.157 23.008 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -19.952 20.533 25.427 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -20.235 22.029 24.559 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -22.517 22.081 25.111 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -22.590 20.359 25.425 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -21.221 20.642 27.461 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -21.049 22.355 27.132 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -23.298 22.823 27.630 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -23.818 21.177 27.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -23.810 21.670 29.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -22.663 20.467 29.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -22.159 22.061 29.633 1.00 0.00 H new ATOM 1867 N VAL A 127 -20.482 17.954 24.130 1.00 0.00 N ATOM 1868 CA VAL A 127 -20.879 16.586 24.442 1.00 0.00 C ATOM 1869 C VAL A 127 -21.877 16.056 23.418 1.00 0.00 C ATOM 1870 O VAL A 127 -22.760 15.265 23.749 1.00 0.00 O ATOM 1871 CB VAL A 127 -21.503 16.489 25.847 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -22.847 17.200 25.885 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -21.647 15.034 26.266 1.00 0.00 C ATOM 0 H VAL A 127 -19.480 18.130 24.207 1.00 0.00 H new ATOM 0 HA VAL A 127 -19.974 15.979 24.411 1.00 0.00 H new ATOM 0 HB VAL A 127 -20.839 16.983 26.556 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -23.272 17.121 26.885 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -22.710 18.251 25.631 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -23.523 16.738 25.166 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -22.089 14.984 27.261 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -22.290 14.513 25.556 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -20.665 14.561 26.281 1.00 0.00 H new ATOM 1883 N GLU A 128 -21.730 16.498 22.173 1.00 0.00 N ATOM 1884 CA GLU A 128 -22.619 16.068 21.100 1.00 0.00 C ATOM 1885 C GLU A 128 -22.802 14.553 21.119 1.00 0.00 C ATOM 1886 O GLU A 128 -21.898 13.813 21.506 1.00 0.00 O ATOM 1887 CB GLU A 128 -22.067 16.509 19.743 1.00 0.00 C ATOM 1888 CG GLU A 128 -23.089 16.443 18.620 1.00 0.00 C ATOM 1889 CD GLU A 128 -22.456 16.161 17.271 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -21.299 15.690 17.246 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -23.116 16.410 16.241 1.00 0.00 O ATOM 0 H GLU A 128 -21.004 17.153 21.883 1.00 0.00 H new ATOM 0 HA GLU A 128 -23.591 16.536 21.258 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -21.696 17.531 19.826 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -21.215 15.880 19.485 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -23.820 15.666 18.844 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -23.632 17.387 18.572 1.00 0.00 H new ATOM 1898 N SER A 129 -23.979 14.100 20.700 1.00 0.00 N ATOM 1899 CA SER A 129 -24.283 12.674 20.673 1.00 0.00 C ATOM 1900 C SER A 129 -24.475 12.187 19.240 1.00 0.00 C ATOM 1901 O SER A 129 -25.146 12.834 18.437 1.00 0.00 O ATOM 1902 CB SER A 129 -25.540 12.384 21.495 1.00 0.00 C ATOM 1903 OG SER A 129 -25.226 12.218 22.866 1.00 0.00 O ATOM 0 H SER A 129 -24.737 14.699 20.375 1.00 0.00 H new ATOM 0 HA SER A 129 -23.440 12.139 21.110 1.00 0.00 H new ATOM 0 HB2 SER A 129 -26.251 13.202 21.378 1.00 0.00 H new ATOM 0 HB3 SER A 129 -26.025 11.483 21.118 1.00 0.00 H new ATOM 0 HG SER A 129 -26.047 12.035 23.370 1.00 0.00 H new ATOM 1909 N GLY A 130 -23.880 11.040 18.927 1.00 0.00 N ATOM 1910 CA GLY A 130 -23.997 10.484 17.591 1.00 0.00 C ATOM 1911 C GLY A 130 -22.702 9.861 17.107 1.00 0.00 C ATOM 1912 O GLY A 130 -21.624 10.129 17.637 1.00 0.00 O ATOM 0 H GLY A 130 -23.319 10.486 19.574 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -24.785 9.731 17.582 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -24.300 11.270 16.899 1.00 0.00 H new ATOM 1916 N PRO A 131 -22.800 9.008 16.077 1.00 0.00 N ATOM 1917 CA PRO A 131 -21.638 8.326 15.500 1.00 0.00 C ATOM 1918 C PRO A 131 -20.720 9.283 14.747 1.00 0.00 C ATOM 1919 O PRO A 131 -20.969 10.488 14.698 1.00 0.00 O ATOM 1920 CB PRO A 131 -22.262 7.314 14.537 1.00 0.00 C ATOM 1921 CG PRO A 131 -23.584 7.899 14.177 1.00 0.00 C ATOM 1922 CD PRO A 131 -24.054 8.642 15.397 1.00 0.00 C ATOM 0 HA PRO A 131 -21.009 7.873 16.266 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -21.639 7.171 13.654 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -22.376 6.338 15.008 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -23.494 8.569 13.322 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -24.293 7.119 13.898 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -24.639 9.523 15.131 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -24.687 8.018 16.029 1.00 0.00 H new ATOM 1930 N SER A 132 -19.658 8.739 14.161 1.00 0.00 N ATOM 1931 CA SER A 132 -18.702 9.546 13.412 1.00 0.00 C ATOM 1932 C SER A 132 -19.015 9.514 11.919 1.00 0.00 C ATOM 1933 O SER A 132 -19.313 10.544 11.314 1.00 0.00 O ATOM 1934 CB SER A 132 -17.277 9.043 13.657 1.00 0.00 C ATOM 1935 OG SER A 132 -16.349 9.718 12.826 1.00 0.00 O ATOM 0 H SER A 132 -19.438 7.743 14.190 1.00 0.00 H new ATOM 0 HA SER A 132 -18.782 10.576 13.760 1.00 0.00 H new ATOM 0 HB2 SER A 132 -17.010 9.193 14.703 1.00 0.00 H new ATOM 0 HB3 SER A 132 -17.228 7.971 13.466 1.00 0.00 H new ATOM 0 HG SER A 132 -15.446 9.380 13.002 1.00 0.00 H new ATOM 1941 N SER A 133 -18.944 8.324 11.332 1.00 0.00 N ATOM 1942 CA SER A 133 -19.216 8.157 9.909 1.00 0.00 C ATOM 1943 C SER A 133 -20.709 7.962 9.660 1.00 0.00 C ATOM 1944 O SER A 133 -21.450 7.552 10.552 1.00 0.00 O ATOM 1945 CB SER A 133 -18.436 6.963 9.356 1.00 0.00 C ATOM 1946 OG SER A 133 -18.582 6.865 7.950 1.00 0.00 O ATOM 0 H SER A 133 -18.701 7.462 11.819 1.00 0.00 H new ATOM 0 HA SER A 133 -18.894 9.063 9.394 1.00 0.00 H new ATOM 0 HB2 SER A 133 -17.381 7.066 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 133 -18.789 6.045 9.826 1.00 0.00 H new ATOM 0 HG SER A 133 -18.073 6.095 7.621 1.00 0.00 H new ATOM 1952 N GLY A 134 -21.143 8.261 8.439 1.00 0.00 N ATOM 1953 CA GLY A 134 -22.545 8.113 8.094 1.00 0.00 C ATOM 1954 C GLY A 134 -22.753 7.226 6.883 1.00 0.00 C ATOM 1955 O GLY A 134 -23.833 7.214 6.293 1.00 0.00 O ATOM 0 H GLY A 134 -20.549 8.603 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -23.083 7.694 8.944 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -22.974 9.096 7.899 1.00 0.00 H new TER 1959 GLY A 134