USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 809 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 65 ASN :FLIP amide:sc= -0.694 F(o=-5.7,f=-3.8) USER MOD Set 1.2: A 88 MET CE :methyl -176:sc= -3.14 (180deg=-3.35!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0281 (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 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -174:sc= -2.12 (180deg=-2.21!) USER MOD Single : A 29 MET CE :methyl -168:sc= -0.493 (180deg=-0.812) USER MOD Single : A 30 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.057) USER MOD Single : A 31 THR OG1 : rot -36:sc= 0.609 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 8:sc= -0.692! USER MOD Single : A 41 GLN : amide:sc= -0.373 K(o=-0.37,f=-3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 47 SER OG : rot -103:sc= 0.0453 USER MOD Single : A 56 SER OG : rot 62:sc= 1.2 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -1.57! C(o=-1.6!,f=-5.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 174:sc= 0.00265 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.015) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.173 16.246 -16.141 1.00 0.00 N ATOM 2 CA GLY A 1 18.134 15.273 -15.848 1.00 0.00 C ATOM 3 C GLY A 1 17.114 15.842 -14.860 1.00 0.00 C ATOM 4 O GLY A 1 17.473 16.594 -13.955 1.00 0.00 O ATOM 0 H1 GLY A 1 20.092 15.763 -16.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.963 16.717 -17.044 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.209 16.955 -15.381 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.630 14.984 -16.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.583 14.370 -15.434 1.00 0.00 H new ATOM 8 N SER A 2 15.862 15.461 -15.066 1.00 0.00 N ATOM 9 CA SER A 2 14.787 15.923 -14.204 1.00 0.00 C ATOM 10 C SER A 2 14.608 14.960 -13.029 1.00 0.00 C ATOM 11 O SER A 2 14.699 15.364 -11.871 1.00 0.00 O ATOM 12 CB SER A 2 13.477 16.060 -14.982 1.00 0.00 C ATOM 13 OG SER A 2 13.566 17.045 -16.008 1.00 0.00 O ATOM 0 H SER A 2 15.568 14.837 -15.818 1.00 0.00 H new ATOM 0 HA SER A 2 15.055 16.908 -13.821 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.216 15.099 -15.424 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.673 16.324 -14.295 1.00 0.00 H new ATOM 0 HG SER A 2 12.710 17.101 -16.483 1.00 0.00 H new ATOM 19 N SER A 3 14.356 13.704 -13.367 1.00 0.00 N ATOM 20 CA SER A 3 14.163 12.680 -12.354 1.00 0.00 C ATOM 21 C SER A 3 14.104 11.299 -13.011 1.00 0.00 C ATOM 22 O SER A 3 14.890 10.414 -12.675 1.00 0.00 O ATOM 23 CB SER A 3 12.891 12.938 -11.546 1.00 0.00 C ATOM 24 OG SER A 3 12.735 12.003 -10.482 1.00 0.00 O ATOM 0 H SER A 3 14.281 13.372 -14.329 1.00 0.00 H new ATOM 0 HA SER A 3 15.009 12.713 -11.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.919 13.949 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.025 12.884 -12.206 1.00 0.00 H new ATOM 0 HG SER A 3 11.912 12.203 -9.989 1.00 0.00 H new ATOM 30 N GLY A 4 13.165 11.158 -13.935 1.00 0.00 N ATOM 31 CA GLY A 4 12.993 9.900 -14.641 1.00 0.00 C ATOM 32 C GLY A 4 11.791 9.961 -15.586 1.00 0.00 C ATOM 33 O GLY A 4 11.204 11.024 -15.780 1.00 0.00 O ATOM 0 H GLY A 4 12.515 11.894 -14.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.895 9.671 -15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.855 9.092 -13.923 1.00 0.00 H new ATOM 37 N SER A 5 11.462 8.808 -16.148 1.00 0.00 N ATOM 38 CA SER A 5 10.340 8.717 -17.068 1.00 0.00 C ATOM 39 C SER A 5 9.689 7.337 -16.964 1.00 0.00 C ATOM 40 O SER A 5 8.468 7.230 -16.853 1.00 0.00 O ATOM 41 CB SER A 5 10.785 8.987 -18.507 1.00 0.00 C ATOM 42 OG SER A 5 9.983 9.984 -19.135 1.00 0.00 O ATOM 0 H SER A 5 11.952 7.929 -15.985 1.00 0.00 H new ATOM 0 HA SER A 5 9.609 9.478 -16.793 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.828 9.305 -18.511 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.732 8.063 -19.083 1.00 0.00 H new ATOM 0 HG SER A 5 10.299 10.129 -20.051 1.00 0.00 H new ATOM 48 N SER A 6 10.531 6.315 -17.003 1.00 0.00 N ATOM 49 CA SER A 6 10.052 4.946 -16.914 1.00 0.00 C ATOM 50 C SER A 6 9.365 4.719 -15.566 1.00 0.00 C ATOM 51 O SER A 6 9.541 5.503 -14.635 1.00 0.00 O ATOM 52 CB SER A 6 11.197 3.949 -17.101 1.00 0.00 C ATOM 53 OG SER A 6 11.434 3.659 -18.476 1.00 0.00 O ATOM 0 H SER A 6 11.543 6.408 -17.095 1.00 0.00 H new ATOM 0 HA SER A 6 9.330 4.783 -17.714 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.106 4.352 -16.654 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.964 3.026 -16.571 1.00 0.00 H new ATOM 0 HG SER A 6 12.173 3.020 -18.553 1.00 0.00 H new ATOM 59 N GLY A 7 8.596 3.642 -15.505 1.00 0.00 N ATOM 60 CA GLY A 7 7.881 3.301 -14.286 1.00 0.00 C ATOM 61 C GLY A 7 6.893 2.159 -14.531 1.00 0.00 C ATOM 62 O GLY A 7 6.094 2.214 -15.464 1.00 0.00 O ATOM 0 H GLY A 7 8.452 2.994 -16.279 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.592 3.012 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.346 4.176 -13.917 1.00 0.00 H new ATOM 66 N TYR A 8 6.981 1.150 -13.677 1.00 0.00 N ATOM 67 CA TYR A 8 6.104 -0.004 -13.789 1.00 0.00 C ATOM 68 C TYR A 8 5.261 -0.176 -12.524 1.00 0.00 C ATOM 69 O TYR A 8 5.722 0.113 -11.421 1.00 0.00 O ATOM 70 CB TYR A 8 7.022 -1.217 -13.945 1.00 0.00 C ATOM 71 CG TYR A 8 8.048 -1.370 -12.820 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.639 -1.766 -11.562 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.382 -1.112 -13.062 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.604 -1.910 -10.503 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.347 -1.256 -12.003 1.00 0.00 C ATOM 76 CZ TYR A 8 9.911 -1.648 -10.776 1.00 0.00 C ATOM 77 OH TYR A 8 10.822 -1.784 -9.776 1.00 0.00 O ATOM 0 H TYR A 8 7.646 1.107 -12.905 1.00 0.00 H new ATOM 0 HA TYR A 8 5.420 0.113 -14.630 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.411 -2.119 -13.991 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.549 -1.141 -14.896 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.595 -1.968 -11.372 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.702 -0.802 -14.046 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.297 -2.219 -9.515 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.394 -1.057 -12.179 1.00 0.00 H new ATOM 0 HH TYR A 8 11.715 -1.565 -10.115 1.00 0.00 H new ATOM 87 N VAL A 9 4.039 -0.647 -12.726 1.00 0.00 N ATOM 88 CA VAL A 9 3.127 -0.861 -11.615 1.00 0.00 C ATOM 89 C VAL A 9 3.096 -2.351 -11.266 1.00 0.00 C ATOM 90 O VAL A 9 3.495 -3.189 -12.073 1.00 0.00 O ATOM 91 CB VAL A 9 1.745 -0.299 -11.957 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.802 -0.394 -10.755 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.849 1.141 -12.461 1.00 0.00 C ATOM 0 H VAL A 9 3.659 -0.886 -13.642 1.00 0.00 H new ATOM 0 HA VAL A 9 3.471 -0.326 -10.730 1.00 0.00 H new ATOM 0 HB VAL A 9 1.325 -0.905 -12.760 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.173 0.012 -11.025 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.692 -1.438 -10.461 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.215 0.176 -9.923 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.853 1.517 -12.697 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.299 1.765 -11.689 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.469 1.169 -13.357 1.00 0.00 H new ATOM 103 N PHE A 10 2.620 -2.634 -10.063 1.00 0.00 N ATOM 104 CA PHE A 10 2.533 -4.008 -9.597 1.00 0.00 C ATOM 105 C PHE A 10 1.293 -4.213 -8.723 1.00 0.00 C ATOM 106 O PHE A 10 0.976 -3.372 -7.883 1.00 0.00 O ATOM 107 CB PHE A 10 3.784 -4.276 -8.758 1.00 0.00 C ATOM 108 CG PHE A 10 3.813 -3.522 -7.427 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.248 -4.074 -6.320 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.405 -2.299 -7.350 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.276 -3.374 -5.084 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.432 -1.600 -6.115 1.00 0.00 C ATOM 113 CZ PHE A 10 3.867 -2.152 -5.008 1.00 0.00 C ATOM 0 H PHE A 10 2.290 -1.936 -9.397 1.00 0.00 H new ATOM 0 HA PHE A 10 2.461 -4.686 -10.448 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.854 -5.346 -8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.664 -4.001 -9.339 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.778 -5.044 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.854 -1.860 -8.229 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.828 -3.813 -4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.901 -0.629 -6.054 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.888 -1.620 -4.069 1.00 0.00 H new ATOM 123 N THR A 11 0.627 -5.335 -8.952 1.00 0.00 N ATOM 124 CA THR A 11 -0.571 -5.661 -8.196 1.00 0.00 C ATOM 125 C THR A 11 -0.200 -6.330 -6.871 1.00 0.00 C ATOM 126 O THR A 11 0.861 -6.942 -6.757 1.00 0.00 O ATOM 127 CB THR A 11 -1.468 -6.526 -9.083 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.844 -5.657 -10.149 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.794 -6.880 -8.406 1.00 0.00 C ATOM 0 H THR A 11 0.894 -6.030 -9.650 1.00 0.00 H new ATOM 0 HA THR A 11 -1.125 -4.762 -7.926 1.00 0.00 H new ATOM 0 HB THR A 11 -0.940 -7.442 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.426 -6.138 -10.773 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.393 -7.495 -9.078 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.597 -7.433 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.338 -5.965 -8.170 1.00 0.00 H new ATOM 137 N VAL A 12 -1.094 -6.190 -5.904 1.00 0.00 N ATOM 138 CA VAL A 12 -0.874 -6.774 -4.591 1.00 0.00 C ATOM 139 C VAL A 12 -2.143 -7.500 -4.142 1.00 0.00 C ATOM 140 O VAL A 12 -3.161 -6.866 -3.867 1.00 0.00 O ATOM 141 CB VAL A 12 -0.423 -5.693 -3.607 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.591 -6.251 -2.606 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.147 -4.481 -4.347 1.00 0.00 C ATOM 0 H VAL A 12 -1.972 -5.681 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.074 -7.513 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.299 -5.363 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.895 -5.462 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.136 -7.067 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.465 -6.622 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.460 -3.728 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.005 -4.790 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.618 -4.061 -5.001 1.00 0.00 H new ATOM 153 N GLU A 13 -2.041 -8.820 -4.080 1.00 0.00 N ATOM 154 CA GLU A 13 -3.168 -9.639 -3.668 1.00 0.00 C ATOM 155 C GLU A 13 -2.963 -10.145 -2.239 1.00 0.00 C ATOM 156 O GLU A 13 -2.083 -10.968 -1.989 1.00 0.00 O ATOM 157 CB GLU A 13 -3.383 -10.804 -4.637 1.00 0.00 C ATOM 158 CG GLU A 13 -4.131 -10.344 -5.890 1.00 0.00 C ATOM 159 CD GLU A 13 -4.214 -11.470 -6.923 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.590 -12.589 -6.513 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.899 -11.186 -8.099 1.00 0.00 O ATOM 0 H GLU A 13 -1.195 -9.342 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.066 -9.022 -3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.420 -11.229 -4.920 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.947 -11.594 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.136 -10.019 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.624 -9.483 -6.325 1.00 0.00 H new ATOM 168 N LEU A 14 -3.788 -9.632 -1.339 1.00 0.00 N ATOM 169 CA LEU A 14 -3.708 -10.022 0.058 1.00 0.00 C ATOM 170 C LEU A 14 -5.064 -10.565 0.511 1.00 0.00 C ATOM 171 O LEU A 14 -6.048 -10.476 -0.222 1.00 0.00 O ATOM 172 CB LEU A 14 -3.196 -8.859 0.910 1.00 0.00 C ATOM 173 CG LEU A 14 -1.937 -8.155 0.398 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.042 -6.640 0.584 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.682 -8.728 1.058 1.00 0.00 C ATOM 0 H LEU A 14 -4.516 -8.949 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.983 -10.826 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.992 -8.120 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.997 -9.231 1.915 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.852 -8.343 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.135 -6.164 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.902 -6.264 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.164 -6.411 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.198 -8.210 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.744 -8.591 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.605 -9.791 0.831 1.00 0.00 H new ATOM 187 N GLU A 15 -5.073 -11.116 1.716 1.00 0.00 N ATOM 188 CA GLU A 15 -6.293 -11.674 2.274 1.00 0.00 C ATOM 189 C GLU A 15 -6.654 -10.960 3.579 1.00 0.00 C ATOM 190 O GLU A 15 -5.774 -10.486 4.295 1.00 0.00 O ATOM 191 CB GLU A 15 -6.156 -13.182 2.494 1.00 0.00 C ATOM 192 CG GLU A 15 -7.323 -13.723 3.323 1.00 0.00 C ATOM 193 CD GLU A 15 -7.526 -15.219 3.073 1.00 0.00 C ATOM 194 OE1 GLU A 15 -6.582 -15.979 3.382 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.619 -15.569 2.578 1.00 0.00 O ATOM 0 H GLU A 15 -4.255 -11.188 2.321 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.101 -11.517 1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.122 -13.692 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.215 -13.395 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.132 -13.550 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.235 -13.181 3.071 1.00 0.00 H new ATOM 202 N ARG A 16 -7.950 -10.907 3.848 1.00 0.00 N ATOM 203 CA ARG A 16 -8.439 -10.259 5.053 1.00 0.00 C ATOM 204 C ARG A 16 -8.131 -11.120 6.280 1.00 0.00 C ATOM 205 O ARG A 16 -8.476 -12.301 6.316 1.00 0.00 O ATOM 206 CB ARG A 16 -9.947 -10.015 4.975 1.00 0.00 C ATOM 207 CG ARG A 16 -10.344 -8.778 5.784 1.00 0.00 C ATOM 208 CD ARG A 16 -11.773 -8.342 5.452 1.00 0.00 C ATOM 209 NE ARG A 16 -11.811 -6.885 5.196 1.00 0.00 N ATOM 210 CZ ARG A 16 -11.664 -5.951 6.146 1.00 0.00 C ATOM 211 NH1 ARG A 16 -11.468 -6.317 7.420 1.00 0.00 N ATOM 212 NH2 ARG A 16 -11.713 -4.652 5.822 1.00 0.00 N ATOM 0 H ARG A 16 -8.677 -11.302 3.252 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.932 -9.298 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.245 -9.885 3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.480 -10.888 5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.264 -8.995 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.652 -7.963 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.133 -8.883 4.577 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.439 -8.592 6.278 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.958 -6.572 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.431 -7.306 7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.356 -5.607 8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.862 -4.374 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.601 -3.941 6.545 1.00 0.00 H new ATOM 226 N GLY A 17 -7.487 -10.497 7.255 1.00 0.00 N ATOM 227 CA GLY A 17 -7.129 -11.191 8.480 1.00 0.00 C ATOM 228 C GLY A 17 -8.142 -10.902 9.590 1.00 0.00 C ATOM 229 O GLY A 17 -9.148 -10.233 9.359 1.00 0.00 O ATOM 0 H GLY A 17 -7.203 -9.518 7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.084 -12.264 8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.134 -10.881 8.801 1.00 0.00 H new ATOM 233 N PRO A 18 -7.833 -11.434 10.803 1.00 0.00 N ATOM 234 CA PRO A 18 -8.705 -11.240 11.949 1.00 0.00 C ATOM 235 C PRO A 18 -8.575 -9.818 12.501 1.00 0.00 C ATOM 236 O PRO A 18 -9.276 -9.448 13.443 1.00 0.00 O ATOM 237 CB PRO A 18 -8.284 -12.305 12.948 1.00 0.00 C ATOM 238 CG PRO A 18 -6.896 -12.753 12.521 1.00 0.00 C ATOM 239 CD PRO A 18 -6.651 -12.232 11.114 1.00 0.00 C ATOM 0 HA PRO A 18 -9.761 -11.344 11.697 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.270 -11.905 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.983 -13.142 12.944 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.142 -12.367 13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.822 -13.840 12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.743 -11.630 11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.528 -13.050 10.405 1.00 0.00 H new ATOM 247 N SER A 19 -7.675 -9.061 11.892 1.00 0.00 N ATOM 248 CA SER A 19 -7.446 -7.688 12.311 1.00 0.00 C ATOM 249 C SER A 19 -7.938 -6.723 11.232 1.00 0.00 C ATOM 250 O SER A 19 -8.232 -5.563 11.518 1.00 0.00 O ATOM 251 CB SER A 19 -5.964 -7.444 12.606 1.00 0.00 C ATOM 252 OG SER A 19 -5.116 -8.129 11.689 1.00 0.00 O ATOM 0 H SER A 19 -7.096 -9.372 11.112 1.00 0.00 H new ATOM 0 HA SER A 19 -8.006 -7.512 13.229 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.757 -6.375 12.561 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.738 -7.770 13.621 1.00 0.00 H new ATOM 0 HG SER A 19 -4.179 -7.946 11.911 1.00 0.00 H new ATOM 258 N GLY A 20 -8.014 -7.236 10.013 1.00 0.00 N ATOM 259 CA GLY A 20 -8.466 -6.433 8.889 1.00 0.00 C ATOM 260 C GLY A 20 -7.280 -5.903 8.081 1.00 0.00 C ATOM 261 O GLY A 20 -7.155 -4.698 7.872 1.00 0.00 O ATOM 0 H GLY A 20 -7.770 -8.198 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.110 -7.032 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.065 -5.598 9.252 1.00 0.00 H new ATOM 265 N LEU A 21 -6.438 -6.831 7.649 1.00 0.00 N ATOM 266 CA LEU A 21 -5.266 -6.472 6.869 1.00 0.00 C ATOM 267 C LEU A 21 -4.232 -5.811 7.783 1.00 0.00 C ATOM 268 O LEU A 21 -4.058 -6.223 8.929 1.00 0.00 O ATOM 269 CB LEU A 21 -5.664 -5.611 5.668 1.00 0.00 C ATOM 270 CG LEU A 21 -6.936 -6.036 4.931 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.749 -4.817 4.492 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.605 -6.957 3.755 1.00 0.00 C ATOM 0 H LEU A 21 -6.544 -7.830 7.824 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.799 -7.364 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.791 -4.584 6.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.838 -5.611 4.956 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.557 -6.605 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.647 -5.147 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.032 -4.233 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.148 -4.200 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.526 -7.245 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.954 -6.434 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.099 -7.850 4.123 1.00 0.00 H new ATOM 284 N GLY A 22 -3.574 -4.796 7.243 1.00 0.00 N ATOM 285 CA GLY A 22 -2.562 -4.074 7.996 1.00 0.00 C ATOM 286 C GLY A 22 -1.891 -3.007 7.129 1.00 0.00 C ATOM 287 O GLY A 22 -0.681 -3.050 6.911 1.00 0.00 O ATOM 0 H GLY A 22 -3.722 -4.456 6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.018 -3.605 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.811 -4.772 8.366 1.00 0.00 H new ATOM 291 N MET A 23 -2.706 -2.074 6.658 1.00 0.00 N ATOM 292 CA MET A 23 -2.206 -0.998 5.820 1.00 0.00 C ATOM 293 C MET A 23 -2.771 0.352 6.267 1.00 0.00 C ATOM 294 O MET A 23 -3.986 0.539 6.305 1.00 0.00 O ATOM 295 CB MET A 23 -2.599 -1.259 4.364 1.00 0.00 C ATOM 296 CG MET A 23 -1.360 -1.468 3.491 1.00 0.00 C ATOM 297 SD MET A 23 -1.779 -1.237 1.772 1.00 0.00 S ATOM 298 CE MET A 23 -3.409 -1.963 1.749 1.00 0.00 C ATOM 0 H MET A 23 -3.709 -2.041 6.841 1.00 0.00 H new ATOM 0 HA MET A 23 -1.120 -0.966 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.240 -2.139 4.309 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.179 -0.418 3.984 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.578 -0.766 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.961 -2.471 3.645 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.777 -1.999 0.724 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.363 -2.974 2.153 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.084 -1.360 2.356 1.00 0.00 H new ATOM 308 N GLY A 24 -1.861 1.259 6.593 1.00 0.00 N ATOM 309 CA GLY A 24 -2.254 2.587 7.035 1.00 0.00 C ATOM 310 C GLY A 24 -2.166 3.595 5.888 1.00 0.00 C ATOM 311 O GLY A 24 -1.150 4.269 5.724 1.00 0.00 O ATOM 0 H GLY A 24 -0.854 1.101 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.273 2.559 7.422 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.611 2.907 7.855 1.00 0.00 H new ATOM 315 N LEU A 25 -3.246 3.667 5.123 1.00 0.00 N ATOM 316 CA LEU A 25 -3.304 4.582 3.995 1.00 0.00 C ATOM 317 C LEU A 25 -3.564 6.000 4.508 1.00 0.00 C ATOM 318 O LEU A 25 -4.303 6.189 5.473 1.00 0.00 O ATOM 319 CB LEU A 25 -4.331 4.101 2.968 1.00 0.00 C ATOM 320 CG LEU A 25 -4.215 2.638 2.537 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.756 2.259 2.271 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.869 1.711 3.563 1.00 0.00 C ATOM 0 H LEU A 25 -4.087 3.107 5.262 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.349 4.602 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.328 4.260 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.249 4.728 2.080 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.757 2.514 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.701 1.214 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.355 2.890 1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.171 2.403 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.773 0.677 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.376 1.831 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.925 1.964 3.661 1.00 0.00 H new ATOM 334 N ILE A 26 -2.943 6.960 3.838 1.00 0.00 N ATOM 335 CA ILE A 26 -3.099 8.355 4.214 1.00 0.00 C ATOM 336 C ILE A 26 -3.306 9.198 2.954 1.00 0.00 C ATOM 337 O ILE A 26 -2.790 8.865 1.888 1.00 0.00 O ATOM 338 CB ILE A 26 -1.918 8.813 5.073 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.160 10.216 5.634 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.605 8.726 4.292 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.670 10.321 7.079 1.00 0.00 C ATOM 0 H ILE A 26 -2.331 6.799 3.038 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.985 8.486 4.835 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.831 8.137 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.644 10.952 5.017 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.223 10.451 5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.218 9.057 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.433 7.695 3.983 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.663 9.364 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.854 11.328 7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.205 9.601 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.601 10.109 7.117 1.00 0.00 H new ATOM 353 N ASP A 27 -4.062 10.274 3.118 1.00 0.00 N ATOM 354 CA ASP A 27 -4.343 11.167 2.007 1.00 0.00 C ATOM 355 C ASP A 27 -3.045 11.842 1.559 1.00 0.00 C ATOM 356 O ASP A 27 -2.423 12.572 2.329 1.00 0.00 O ATOM 357 CB ASP A 27 -5.329 12.263 2.417 1.00 0.00 C ATOM 358 CG ASP A 27 -5.546 13.361 1.375 1.00 0.00 C ATOM 359 OD1 ASP A 27 -4.974 13.218 0.272 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.278 14.319 1.703 1.00 0.00 O ATOM 0 H ASP A 27 -4.488 10.547 4.003 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.776 10.575 1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.290 11.801 2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.974 12.723 3.339 1.00 0.00 H new ATOM 365 N GLY A 28 -2.675 11.574 0.316 1.00 0.00 N ATOM 366 CA GLY A 28 -1.462 12.146 -0.244 1.00 0.00 C ATOM 367 C GLY A 28 -1.342 13.630 0.110 1.00 0.00 C ATOM 368 O GLY A 28 -0.239 14.169 0.176 1.00 0.00 O ATOM 0 H GLY A 28 -3.194 10.968 -0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.593 11.607 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.465 12.026 -1.327 1.00 0.00 H new ATOM 372 N MET A 29 -2.494 14.248 0.328 1.00 0.00 N ATOM 373 CA MET A 29 -2.532 15.659 0.673 1.00 0.00 C ATOM 374 C MET A 29 -2.097 15.881 2.123 1.00 0.00 C ATOM 375 O MET A 29 -1.378 16.834 2.421 1.00 0.00 O ATOM 376 CB MET A 29 -3.952 16.194 0.479 1.00 0.00 C ATOM 377 CG MET A 29 -4.411 16.015 -0.970 1.00 0.00 C ATOM 378 SD MET A 29 -4.633 17.609 -1.742 1.00 0.00 S ATOM 379 CE MET A 29 -3.678 17.368 -3.231 1.00 0.00 C ATOM 0 H MET A 29 -3.407 13.798 0.272 1.00 0.00 H new ATOM 0 HA MET A 29 -1.841 16.192 0.020 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.636 15.672 1.148 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.987 17.250 0.748 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.675 15.433 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.346 15.455 -0.997 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.531 18.327 -3.728 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.709 16.939 -2.976 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.210 16.691 -3.899 1.00 0.00 H new ATOM 389 N HIS A 30 -2.551 14.985 2.987 1.00 0.00 N ATOM 390 CA HIS A 30 -2.218 15.070 4.399 1.00 0.00 C ATOM 391 C HIS A 30 -0.698 15.117 4.566 1.00 0.00 C ATOM 392 O HIS A 30 -0.185 15.835 5.422 1.00 0.00 O ATOM 393 CB HIS A 30 -2.865 13.925 5.181 1.00 0.00 C ATOM 394 CG HIS A 30 -4.197 14.279 5.798 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.818 13.487 6.748 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.019 15.348 5.591 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.961 14.062 7.090 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.085 15.215 6.372 1.00 0.00 N ATOM 0 H HIS A 30 -3.147 14.196 2.736 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.624 15.992 4.816 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.000 13.074 4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.184 13.607 5.970 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.834 16.164 4.908 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.671 13.684 7.811 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.867 15.867 6.426 1.00 0.00 H new ATOM 406 N THR A 31 -0.019 14.341 3.733 1.00 0.00 N ATOM 407 CA THR A 31 1.432 14.284 3.778 1.00 0.00 C ATOM 408 C THR A 31 2.035 15.482 3.042 1.00 0.00 C ATOM 409 O THR A 31 1.392 16.070 2.173 1.00 0.00 O ATOM 410 CB THR A 31 1.870 12.935 3.203 1.00 0.00 C ATOM 411 OG1 THR A 31 1.634 13.061 1.804 1.00 0.00 O ATOM 412 CG2 THR A 31 0.953 11.789 3.635 1.00 0.00 C ATOM 0 H THR A 31 -0.447 13.747 3.023 1.00 0.00 H new ATOM 0 HA THR A 31 1.799 14.352 4.802 1.00 0.00 H new ATOM 0 HB THR A 31 2.891 12.720 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.828 13.599 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.308 10.855 3.200 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.959 11.708 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.062 11.986 3.291 1.00 0.00 H new ATOM 420 N HIS A 32 3.263 15.809 3.418 1.00 0.00 N ATOM 421 CA HIS A 32 3.960 16.927 2.805 1.00 0.00 C ATOM 422 C HIS A 32 3.860 16.822 1.282 1.00 0.00 C ATOM 423 O HIS A 32 3.953 17.827 0.579 1.00 0.00 O ATOM 424 CB HIS A 32 5.406 17.004 3.300 1.00 0.00 C ATOM 425 CG HIS A 32 5.861 18.399 3.655 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.747 19.120 2.874 1.00 0.00 N ATOM 427 CD2 HIS A 32 5.541 19.198 4.713 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.947 20.298 3.447 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.199 20.344 4.587 1.00 0.00 N ATOM 0 H HIS A 32 3.793 15.319 4.139 1.00 0.00 H new ATOM 0 HA HIS A 32 3.485 17.862 3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.514 16.364 4.176 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.065 16.603 2.529 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.867 18.942 5.517 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.589 21.083 3.077 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.153 21.130 5.236 1.00 0.00 H new ATOM 437 N LEU A 33 3.672 15.595 0.817 1.00 0.00 N ATOM 438 CA LEU A 33 3.558 15.345 -0.610 1.00 0.00 C ATOM 439 C LEU A 33 2.593 16.360 -1.226 1.00 0.00 C ATOM 440 O LEU A 33 2.789 16.800 -2.358 1.00 0.00 O ATOM 441 CB LEU A 33 3.167 13.889 -0.869 1.00 0.00 C ATOM 442 CG LEU A 33 3.624 13.299 -2.205 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.997 12.639 -2.072 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.576 12.336 -2.766 1.00 0.00 C ATOM 0 H LEU A 33 3.596 14.764 1.403 1.00 0.00 H new ATOM 0 HA LEU A 33 4.522 15.484 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.574 13.276 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.081 13.809 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 33 3.728 14.114 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.298 12.228 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.728 13.381 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.945 11.837 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.925 11.931 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.416 11.521 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.638 12.869 -2.922 1.00 0.00 H new ATOM 456 N GLY A 34 1.573 16.703 -0.454 1.00 0.00 N ATOM 457 CA GLY A 34 0.577 17.658 -0.909 1.00 0.00 C ATOM 458 C GLY A 34 0.007 17.249 -2.269 1.00 0.00 C ATOM 459 O GLY A 34 -0.555 18.077 -2.985 1.00 0.00 O ATOM 0 H GLY A 34 1.414 16.336 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.229 17.725 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.025 18.649 -0.981 1.00 0.00 H new ATOM 463 N ALA A 35 0.170 15.972 -2.583 1.00 0.00 N ATOM 464 CA ALA A 35 -0.321 15.443 -3.844 1.00 0.00 C ATOM 465 C ALA A 35 -1.556 14.579 -3.582 1.00 0.00 C ATOM 466 O ALA A 35 -1.702 14.009 -2.502 1.00 0.00 O ATOM 467 CB ALA A 35 0.797 14.667 -4.543 1.00 0.00 C ATOM 0 H ALA A 35 0.635 15.288 -1.986 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.620 16.253 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.428 14.270 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.639 15.333 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.122 13.844 -3.906 1.00 0.00 H new ATOM 473 N PRO A 36 -2.437 14.506 -4.617 1.00 0.00 N ATOM 474 CA PRO A 36 -3.654 13.720 -4.509 1.00 0.00 C ATOM 475 C PRO A 36 -3.353 12.224 -4.615 1.00 0.00 C ATOM 476 O PRO A 36 -2.303 11.833 -5.124 1.00 0.00 O ATOM 477 CB PRO A 36 -4.549 14.227 -5.629 1.00 0.00 C ATOM 478 CG PRO A 36 -3.630 14.944 -6.604 1.00 0.00 C ATOM 479 CD PRO A 36 -2.296 15.167 -5.911 1.00 0.00 C ATOM 0 HA PRO A 36 -4.144 13.834 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.069 13.403 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.313 14.902 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.496 14.351 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.065 15.896 -6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.474 14.740 -6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.084 16.230 -5.792 1.00 0.00 H new ATOM 487 N GLY A 37 -4.292 11.428 -4.127 1.00 0.00 N ATOM 488 CA GLY A 37 -4.140 9.983 -4.160 1.00 0.00 C ATOM 489 C GLY A 37 -3.836 9.431 -2.766 1.00 0.00 C ATOM 490 O GLY A 37 -3.449 10.179 -1.869 1.00 0.00 O ATOM 0 H GLY A 37 -5.161 11.756 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.052 9.527 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.336 9.714 -4.845 1.00 0.00 H new ATOM 494 N LEU A 38 -4.022 8.127 -2.627 1.00 0.00 N ATOM 495 CA LEU A 38 -3.773 7.466 -1.357 1.00 0.00 C ATOM 496 C LEU A 38 -2.461 6.684 -1.443 1.00 0.00 C ATOM 497 O LEU A 38 -2.217 5.979 -2.421 1.00 0.00 O ATOM 498 CB LEU A 38 -4.975 6.609 -0.954 1.00 0.00 C ATOM 499 CG LEU A 38 -6.135 7.352 -0.288 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.408 6.503 -0.299 1.00 0.00 C ATOM 501 CD2 LEU A 38 -5.759 7.803 1.125 1.00 0.00 C ATOM 0 H LEU A 38 -4.342 7.510 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.655 8.202 -0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.354 6.108 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.629 5.831 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.342 8.251 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.217 7.054 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.684 6.275 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.231 5.574 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.601 8.328 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.509 6.932 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.899 8.471 1.077 1.00 0.00 H new ATOM 513 N TYR A 39 -1.650 6.834 -0.406 1.00 0.00 N ATOM 514 CA TYR A 39 -0.369 6.151 -0.352 1.00 0.00 C ATOM 515 C TYR A 39 -0.199 5.410 0.976 1.00 0.00 C ATOM 516 O TYR A 39 -0.853 5.740 1.964 1.00 0.00 O ATOM 517 CB TYR A 39 0.697 7.244 -0.453 1.00 0.00 C ATOM 518 CG TYR A 39 0.516 8.181 -1.649 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.540 9.070 -1.676 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.408 8.137 -2.701 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.710 9.951 -2.801 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.238 9.018 -3.827 1.00 0.00 C ATOM 523 CZ TYR A 39 0.187 9.882 -3.821 1.00 0.00 C ATOM 524 OH TYR A 39 0.027 10.715 -4.885 1.00 0.00 O ATOM 0 H TYR A 39 -1.856 7.419 0.404 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.291 5.417 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.685 7.834 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.679 6.775 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.238 9.104 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.234 7.441 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.531 10.651 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.929 8.994 -4.657 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.684 11.361 -4.691 1.00 0.00 H new ATOM 534 N ILE A 40 0.684 4.422 0.957 1.00 0.00 N ATOM 535 CA ILE A 40 0.949 3.632 2.147 1.00 0.00 C ATOM 536 C ILE A 40 1.727 4.480 3.155 1.00 0.00 C ATOM 537 O ILE A 40 2.715 5.121 2.800 1.00 0.00 O ATOM 538 CB ILE A 40 1.648 2.323 1.776 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.780 1.484 0.836 1.00 0.00 C ATOM 540 CG2 ILE A 40 2.055 1.544 3.028 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.398 0.104 0.604 1.00 0.00 C ATOM 0 H ILE A 40 1.225 4.151 0.136 1.00 0.00 H new ATOM 0 HA ILE A 40 0.014 3.343 2.628 1.00 0.00 H new ATOM 0 HB ILE A 40 2.563 2.567 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.218 1.373 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.666 2.000 -0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.550 0.618 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.738 2.147 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.167 1.311 3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.761 -0.472 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.386 0.218 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.488 -0.419 1.556 1.00 0.00 H new ATOM 553 N GLN A 41 1.251 4.457 4.391 1.00 0.00 N ATOM 554 CA GLN A 41 1.889 5.216 5.453 1.00 0.00 C ATOM 555 C GLN A 41 2.492 4.270 6.494 1.00 0.00 C ATOM 556 O GLN A 41 3.579 4.522 7.011 1.00 0.00 O ATOM 557 CB GLN A 41 0.902 6.189 6.102 1.00 0.00 C ATOM 558 CG GLN A 41 1.640 7.302 6.848 1.00 0.00 C ATOM 559 CD GLN A 41 0.994 7.570 8.210 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.106 6.862 8.654 1.00 0.00 O ATOM 561 NE2 GLN A 41 1.489 8.629 8.844 1.00 0.00 N ATOM 0 H GLN A 41 0.431 3.925 4.681 1.00 0.00 H new ATOM 0 HA GLN A 41 2.695 5.806 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.258 6.624 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.255 5.649 6.794 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.684 7.022 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.630 8.214 6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.233 9.179 8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.125 8.891 9.760 1.00 0.00 H new ATOM 570 N THR A 42 1.759 3.202 6.769 1.00 0.00 N ATOM 571 CA THR A 42 2.207 2.217 7.739 1.00 0.00 C ATOM 572 C THR A 42 1.822 0.807 7.285 1.00 0.00 C ATOM 573 O THR A 42 1.082 0.644 6.316 1.00 0.00 O ATOM 574 CB THR A 42 1.623 2.596 9.102 1.00 0.00 C ATOM 575 OG1 THR A 42 0.357 3.170 8.790 1.00 0.00 O ATOM 576 CG2 THR A 42 2.394 3.735 9.772 1.00 0.00 C ATOM 0 H THR A 42 0.858 2.997 6.337 1.00 0.00 H new ATOM 0 HA THR A 42 3.294 2.212 7.824 1.00 0.00 H new ATOM 0 HB THR A 42 1.626 1.723 9.754 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.092 3.443 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.939 3.965 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.430 3.433 9.923 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.363 4.619 9.136 1.00 0.00 H new ATOM 584 N LEU A 43 2.344 -0.175 8.005 1.00 0.00 N ATOM 585 CA LEU A 43 2.064 -1.565 7.688 1.00 0.00 C ATOM 586 C LEU A 43 1.975 -2.372 8.985 1.00 0.00 C ATOM 587 O LEU A 43 2.997 -2.760 9.550 1.00 0.00 O ATOM 588 CB LEU A 43 3.097 -2.106 6.697 1.00 0.00 C ATOM 589 CG LEU A 43 2.722 -2.007 5.217 1.00 0.00 C ATOM 590 CD1 LEU A 43 3.940 -2.257 4.325 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.563 -2.947 4.881 1.00 0.00 C ATOM 0 H LEU A 43 2.959 -0.036 8.807 1.00 0.00 H new ATOM 0 HA LEU A 43 1.099 -1.655 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.034 -1.571 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.286 -3.153 6.934 1.00 0.00 H new ATOM 0 HG LEU A 43 2.380 -0.991 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.646 -2.181 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.708 -1.514 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.335 -3.254 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.316 -2.857 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.853 -3.975 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.693 -2.680 5.480 1.00 0.00 H new ATOM 603 N LEU A 44 0.745 -2.600 9.419 1.00 0.00 N ATOM 604 CA LEU A 44 0.509 -3.354 10.639 1.00 0.00 C ATOM 605 C LEU A 44 1.436 -4.571 10.668 1.00 0.00 C ATOM 606 O LEU A 44 1.657 -5.212 9.642 1.00 0.00 O ATOM 607 CB LEU A 44 -0.974 -3.707 10.773 1.00 0.00 C ATOM 608 CG LEU A 44 -1.499 -3.863 12.201 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.936 -3.350 12.316 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.368 -5.311 12.678 1.00 0.00 C ATOM 0 H LEU A 44 -0.100 -2.276 8.948 1.00 0.00 H new ATOM 0 HA LEU A 44 0.749 -2.749 11.513 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.558 -2.933 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.155 -4.638 10.236 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.884 -3.250 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.285 -3.473 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.968 -2.295 12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.580 -3.917 11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.748 -5.395 13.696 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.943 -5.964 12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.319 -5.608 12.657 1.00 0.00 H new ATOM 622 N PRO A 45 1.966 -4.860 11.887 1.00 0.00 N ATOM 623 CA PRO A 45 2.864 -5.989 12.063 1.00 0.00 C ATOM 624 C PRO A 45 2.093 -7.310 12.047 1.00 0.00 C ATOM 625 O PRO A 45 0.950 -7.372 12.498 1.00 0.00 O ATOM 626 CB PRO A 45 3.568 -5.728 13.385 1.00 0.00 C ATOM 627 CG PRO A 45 2.711 -4.712 14.121 1.00 0.00 C ATOM 628 CD PRO A 45 1.727 -4.123 13.124 1.00 0.00 C ATOM 0 HA PRO A 45 3.587 -6.082 11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.667 -6.647 13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.575 -5.344 13.222 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.180 -5.187 14.946 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.334 -3.928 14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.699 -4.244 13.464 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.894 -3.055 12.987 1.00 0.00 H new ATOM 636 N GLY A 46 2.749 -8.335 11.523 1.00 0.00 N ATOM 637 CA GLY A 46 2.140 -9.652 11.442 1.00 0.00 C ATOM 638 C GLY A 46 0.916 -9.634 10.524 1.00 0.00 C ATOM 639 O GLY A 46 0.158 -10.602 10.475 1.00 0.00 O ATOM 0 H GLY A 46 3.697 -8.280 11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.869 -10.371 11.068 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.847 -9.983 12.438 1.00 0.00 H new ATOM 643 N SER A 47 0.761 -8.523 9.819 1.00 0.00 N ATOM 644 CA SER A 47 -0.357 -8.367 8.905 1.00 0.00 C ATOM 645 C SER A 47 -0.016 -8.988 7.549 1.00 0.00 C ATOM 646 O SER A 47 1.129 -9.365 7.306 1.00 0.00 O ATOM 647 CB SER A 47 -0.727 -6.892 8.735 1.00 0.00 C ATOM 648 OG SER A 47 -0.165 -6.334 7.550 1.00 0.00 O ATOM 0 H SER A 47 1.391 -7.722 9.863 1.00 0.00 H new ATOM 0 HA SER A 47 -1.219 -8.884 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.812 -6.792 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.379 -6.329 9.601 1.00 0.00 H new ATOM 0 HG SER A 47 0.609 -5.780 7.784 1.00 0.00 H new ATOM 654 N PRO A 48 -1.058 -9.079 6.680 1.00 0.00 N ATOM 655 CA PRO A 48 -0.881 -9.648 5.355 1.00 0.00 C ATOM 656 C PRO A 48 -0.150 -8.671 4.432 1.00 0.00 C ATOM 657 O PRO A 48 0.634 -9.085 3.580 1.00 0.00 O ATOM 658 CB PRO A 48 -2.285 -9.980 4.878 1.00 0.00 C ATOM 659 CG PRO A 48 -3.225 -9.163 5.749 1.00 0.00 C ATOM 660 CD PRO A 48 -2.428 -8.643 6.935 1.00 0.00 C ATOM 0 HA PRO A 48 -0.256 -10.541 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.410 -9.727 3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.489 -11.046 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.648 -8.335 5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.060 -9.776 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.491 -7.557 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.805 -9.049 7.874 1.00 0.00 H new ATOM 668 N ALA A 49 -0.434 -7.393 4.633 1.00 0.00 N ATOM 669 CA ALA A 49 0.186 -6.353 3.829 1.00 0.00 C ATOM 670 C ALA A 49 1.693 -6.342 4.091 1.00 0.00 C ATOM 671 O ALA A 49 2.476 -5.964 3.221 1.00 0.00 O ATOM 672 CB ALA A 49 -0.470 -5.007 4.141 1.00 0.00 C ATOM 0 H ALA A 49 -1.085 -7.054 5.341 1.00 0.00 H new ATOM 0 HA ALA A 49 0.038 -6.549 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.005 -4.227 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.534 -5.058 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.339 -4.775 5.198 1.00 0.00 H new ATOM 678 N ALA A 50 2.055 -6.762 5.295 1.00 0.00 N ATOM 679 CA ALA A 50 3.455 -6.805 5.683 1.00 0.00 C ATOM 680 C ALA A 50 4.043 -8.165 5.303 1.00 0.00 C ATOM 681 O ALA A 50 5.172 -8.245 4.823 1.00 0.00 O ATOM 682 CB ALA A 50 3.579 -6.514 7.180 1.00 0.00 C ATOM 0 H ALA A 50 1.403 -7.075 6.014 1.00 0.00 H new ATOM 0 HA ALA A 50 4.024 -6.040 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.629 -6.546 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.173 -5.525 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.023 -7.263 7.744 1.00 0.00 H new ATOM 688 N ALA A 51 3.251 -9.202 5.533 1.00 0.00 N ATOM 689 CA ALA A 51 3.679 -10.555 5.221 1.00 0.00 C ATOM 690 C ALA A 51 4.080 -10.631 3.746 1.00 0.00 C ATOM 691 O ALA A 51 4.943 -11.424 3.374 1.00 0.00 O ATOM 692 CB ALA A 51 2.561 -11.538 5.572 1.00 0.00 C ATOM 0 H ALA A 51 2.315 -9.132 5.932 1.00 0.00 H new ATOM 0 HA ALA A 51 4.551 -10.828 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.882 -12.553 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.333 -11.466 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.669 -11.297 4.993 1.00 0.00 H new ATOM 698 N ASP A 52 3.433 -9.795 2.946 1.00 0.00 N ATOM 699 CA ASP A 52 3.712 -9.758 1.521 1.00 0.00 C ATOM 700 C ASP A 52 5.164 -9.330 1.300 1.00 0.00 C ATOM 701 O ASP A 52 5.952 -10.073 0.719 1.00 0.00 O ATOM 702 CB ASP A 52 2.808 -8.748 0.810 1.00 0.00 C ATOM 703 CG ASP A 52 2.599 -9.007 -0.684 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.463 -8.552 -1.465 1.00 0.00 O ATOM 705 OD2 ASP A 52 1.581 -9.653 -1.011 1.00 0.00 O ATOM 0 H ASP A 52 2.717 -9.139 3.258 1.00 0.00 H new ATOM 0 HA ASP A 52 3.531 -10.754 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.836 -8.744 1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.233 -7.752 0.935 1.00 0.00 H new ATOM 710 N GLY A 53 5.473 -8.132 1.776 1.00 0.00 N ATOM 711 CA GLY A 53 6.817 -7.597 1.638 1.00 0.00 C ATOM 712 C GLY A 53 6.835 -6.401 0.683 1.00 0.00 C ATOM 713 O GLY A 53 7.203 -5.295 1.075 1.00 0.00 O ATOM 0 H GLY A 53 4.816 -7.518 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.193 -7.293 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.485 -8.374 1.267 1.00 0.00 H new ATOM 717 N ARG A 54 6.433 -6.664 -0.551 1.00 0.00 N ATOM 718 CA ARG A 54 6.398 -5.624 -1.565 1.00 0.00 C ATOM 719 C ARG A 54 5.858 -4.322 -0.971 1.00 0.00 C ATOM 720 O ARG A 54 6.561 -3.313 -0.936 1.00 0.00 O ATOM 721 CB ARG A 54 5.522 -6.038 -2.749 1.00 0.00 C ATOM 722 CG ARG A 54 6.123 -5.553 -4.071 1.00 0.00 C ATOM 723 CD ARG A 54 6.272 -4.031 -4.079 1.00 0.00 C ATOM 724 NE ARG A 54 6.734 -3.575 -5.409 1.00 0.00 N ATOM 725 CZ ARG A 54 8.021 -3.525 -5.781 1.00 0.00 C ATOM 726 NH1 ARG A 54 8.981 -3.902 -4.925 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.348 -3.097 -7.008 1.00 0.00 N ATOM 0 H ARG A 54 6.128 -7.583 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 54 7.418 -5.471 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.419 -7.123 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.521 -5.625 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.097 -6.018 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.487 -5.864 -4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.318 -3.563 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.983 -3.723 -3.312 1.00 0.00 H new ATOM 0 HE ARG A 54 6.029 -3.280 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.732 -4.227 -3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.960 -3.864 -5.208 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.618 -2.809 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.327 -3.059 -7.291 1.00 0.00 H new ATOM 741 N LEU A 55 4.615 -4.386 -0.518 1.00 0.00 N ATOM 742 CA LEU A 55 3.972 -3.224 0.073 1.00 0.00 C ATOM 743 C LEU A 55 4.977 -2.489 0.963 1.00 0.00 C ATOM 744 O LEU A 55 5.423 -3.026 1.976 1.00 0.00 O ATOM 745 CB LEU A 55 2.690 -3.633 0.800 1.00 0.00 C ATOM 746 CG LEU A 55 1.379 -3.309 0.082 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.450 -3.704 -1.394 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.189 -3.958 0.793 1.00 0.00 C ATOM 0 H LEU A 55 4.035 -5.225 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 55 3.661 -2.524 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.726 -4.707 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.677 -3.145 1.775 1.00 0.00 H new ATOM 0 HG LEU A 55 1.227 -2.230 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.505 -3.463 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.258 -3.156 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.637 -4.775 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.731 -3.712 0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.320 -5.040 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.129 -3.585 1.815 1.00 0.00 H new ATOM 760 N SER A 56 5.303 -1.273 0.552 1.00 0.00 N ATOM 761 CA SER A 56 6.246 -0.458 1.299 1.00 0.00 C ATOM 762 C SER A 56 5.616 0.894 1.639 1.00 0.00 C ATOM 763 O SER A 56 4.605 1.276 1.052 1.00 0.00 O ATOM 764 CB SER A 56 7.544 -0.257 0.514 1.00 0.00 C ATOM 765 OG SER A 56 8.110 -1.495 0.092 1.00 0.00 O ATOM 0 H SER A 56 4.931 -0.832 -0.289 1.00 0.00 H new ATOM 0 HA SER A 56 6.490 -0.980 2.224 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.348 0.368 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.263 0.278 1.134 1.00 0.00 H new ATOM 0 HG SER A 56 7.482 -1.956 -0.503 1.00 0.00 H new ATOM 771 N LEU A 57 6.240 1.581 2.584 1.00 0.00 N ATOM 772 CA LEU A 57 5.753 2.883 3.008 1.00 0.00 C ATOM 773 C LEU A 57 6.048 3.913 1.917 1.00 0.00 C ATOM 774 O LEU A 57 7.178 4.012 1.440 1.00 0.00 O ATOM 775 CB LEU A 57 6.333 3.252 4.375 1.00 0.00 C ATOM 776 CG LEU A 57 6.035 2.276 5.516 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.163 2.967 6.875 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.665 1.621 5.333 1.00 0.00 C ATOM 0 H LEU A 57 7.079 1.261 3.068 1.00 0.00 H new ATOM 0 HA LEU A 57 4.671 2.860 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.415 3.345 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.953 4.235 4.655 1.00 0.00 H new ATOM 0 HG LEU A 57 6.779 1.480 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.946 2.252 7.669 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.177 3.347 6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.457 3.795 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.478 0.932 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.893 2.390 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.647 1.073 4.391 1.00 0.00 H new ATOM 790 N GLY A 58 5.013 4.656 1.553 1.00 0.00 N ATOM 791 CA GLY A 58 5.147 5.675 0.527 1.00 0.00 C ATOM 792 C GLY A 58 4.463 5.240 -0.771 1.00 0.00 C ATOM 793 O GLY A 58 4.163 6.070 -1.628 1.00 0.00 O ATOM 0 H GLY A 58 4.078 4.572 1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.708 6.609 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.203 5.870 0.338 1.00 0.00 H new ATOM 797 N ASP A 59 4.237 3.939 -0.876 1.00 0.00 N ATOM 798 CA ASP A 59 3.594 3.383 -2.054 1.00 0.00 C ATOM 799 C ASP A 59 2.312 4.165 -2.347 1.00 0.00 C ATOM 800 O ASP A 59 1.741 4.786 -1.452 1.00 0.00 O ATOM 801 CB ASP A 59 3.214 1.917 -1.835 1.00 0.00 C ATOM 802 CG ASP A 59 4.359 0.919 -2.015 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.326 1.285 -2.717 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.241 -0.188 -1.447 1.00 0.00 O ATOM 0 H ASP A 59 4.488 3.253 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 59 4.296 3.453 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.812 1.808 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.413 1.657 -2.528 1.00 0.00 H new ATOM 809 N ARG A 60 1.897 4.109 -3.604 1.00 0.00 N ATOM 810 CA ARG A 60 0.692 4.805 -4.026 1.00 0.00 C ATOM 811 C ARG A 60 -0.294 3.822 -4.660 1.00 0.00 C ATOM 812 O ARG A 60 0.015 3.193 -5.671 1.00 0.00 O ATOM 813 CB ARG A 60 1.019 5.910 -5.033 1.00 0.00 C ATOM 814 CG ARG A 60 -0.246 6.665 -5.447 1.00 0.00 C ATOM 815 CD ARG A 60 -0.275 6.898 -6.959 1.00 0.00 C ATOM 816 NE ARG A 60 -1.582 7.466 -7.358 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.870 8.775 -7.336 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.946 9.658 -6.935 1.00 0.00 N ATOM 819 NH2 ARG A 60 -3.083 9.200 -7.716 1.00 0.00 N ATOM 0 H ARG A 60 2.373 3.593 -4.344 1.00 0.00 H new ATOM 0 HA ARG A 60 0.242 5.256 -3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.735 6.605 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.493 5.476 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.127 6.098 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.289 7.622 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.529 7.576 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.102 5.958 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.309 6.821 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.023 9.334 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.166 10.654 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.786 8.528 -8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.303 10.196 -7.699 1.00 0.00 H new ATOM 833 N ILE A 61 -1.460 3.720 -4.040 1.00 0.00 N ATOM 834 CA ILE A 61 -2.493 2.824 -4.530 1.00 0.00 C ATOM 835 C ILE A 61 -3.141 3.433 -5.776 1.00 0.00 C ATOM 836 O ILE A 61 -3.203 4.654 -5.914 1.00 0.00 O ATOM 837 CB ILE A 61 -3.490 2.495 -3.418 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.764 2.116 -2.125 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.472 1.410 -3.864 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.084 0.752 -2.259 1.00 0.00 C ATOM 0 H ILE A 61 -1.712 4.244 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.059 1.870 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.075 3.391 -3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.020 2.876 -1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.474 2.093 -1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.170 1.195 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.025 1.756 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.922 0.504 -4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.575 0.506 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.834 -0.009 -2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.358 0.786 -3.071 1.00 0.00 H new ATOM 852 N LEU A 62 -3.607 2.554 -6.651 1.00 0.00 N ATOM 853 CA LEU A 62 -4.247 2.990 -7.881 1.00 0.00 C ATOM 854 C LEU A 62 -5.655 2.397 -7.955 1.00 0.00 C ATOM 855 O LEU A 62 -6.608 3.093 -8.304 1.00 0.00 O ATOM 856 CB LEU A 62 -3.373 2.651 -9.090 1.00 0.00 C ATOM 857 CG LEU A 62 -1.930 3.158 -9.037 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.149 2.719 -10.277 1.00 0.00 C ATOM 859 CD2 LEU A 62 -1.888 4.675 -8.841 1.00 0.00 C ATOM 0 H LEU A 62 -3.554 1.542 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.356 4.075 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.353 1.567 -9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.848 3.058 -9.983 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.442 2.708 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.127 3.092 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.135 1.630 -10.332 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.628 3.121 -11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.851 5.009 -8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.399 5.163 -9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.384 4.935 -7.906 1.00 0.00 H new ATOM 871 N GLU A 63 -5.743 1.118 -7.621 1.00 0.00 N ATOM 872 CA GLU A 63 -7.019 0.423 -7.646 1.00 0.00 C ATOM 873 C GLU A 63 -7.190 -0.418 -6.379 1.00 0.00 C ATOM 874 O GLU A 63 -6.215 -0.712 -5.689 1.00 0.00 O ATOM 875 CB GLU A 63 -7.148 -0.442 -8.900 1.00 0.00 C ATOM 876 CG GLU A 63 -7.272 0.425 -10.155 1.00 0.00 C ATOM 877 CD GLU A 63 -7.006 -0.397 -11.418 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.227 -1.625 -11.353 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.588 0.223 -12.420 1.00 0.00 O ATOM 0 H GLU A 63 -4.951 0.544 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.815 1.167 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.278 -1.093 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.022 -1.088 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.270 0.860 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.566 1.253 -10.100 1.00 0.00 H new ATOM 886 N VAL A 64 -8.436 -0.780 -6.112 1.00 0.00 N ATOM 887 CA VAL A 64 -8.747 -1.582 -4.940 1.00 0.00 C ATOM 888 C VAL A 64 -9.791 -2.637 -5.312 1.00 0.00 C ATOM 889 O VAL A 64 -10.965 -2.317 -5.493 1.00 0.00 O ATOM 890 CB VAL A 64 -9.195 -0.677 -3.791 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.244 -1.373 -2.922 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.998 -0.225 -2.951 1.00 0.00 C ATOM 0 H VAL A 64 -9.242 -0.533 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.860 -2.111 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.655 0.211 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.545 -0.708 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.114 -1.622 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.821 -2.286 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.344 0.417 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.496 -1.098 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.300 0.328 -3.580 1.00 0.00 H new ATOM 902 N ASN A 65 -9.326 -3.873 -5.415 1.00 0.00 N ATOM 903 CA ASN A 65 -10.204 -4.977 -5.761 1.00 0.00 C ATOM 904 C ASN A 65 -10.778 -4.746 -7.161 1.00 0.00 C ATOM 905 O ASN A 65 -11.860 -5.236 -7.481 1.00 0.00 O ATOM 906 CB ASN A 65 -11.375 -5.078 -4.781 1.00 0.00 C ATOM 907 CG ASN A 65 -11.067 -6.071 -3.659 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.415 -5.645 -2.449 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -10.547 -7.153 -3.879 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.352 -4.134 -5.265 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.621 -5.897 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.583 -4.096 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.273 -5.392 -5.313 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.305 -7.418 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.355 -7.793 -3.108 1.00 0.00 H new ATOM 916 N GLY A 66 -10.027 -4.000 -7.958 1.00 0.00 N ATOM 917 CA GLY A 66 -10.448 -3.698 -9.316 1.00 0.00 C ATOM 918 C GLY A 66 -11.395 -2.497 -9.342 1.00 0.00 C ATOM 919 O GLY A 66 -12.389 -2.502 -10.067 1.00 0.00 O ATOM 0 H GLY A 66 -9.130 -3.596 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.574 -3.490 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.945 -4.567 -9.748 1.00 0.00 H new ATOM 923 N SER A 67 -11.053 -1.497 -8.543 1.00 0.00 N ATOM 924 CA SER A 67 -11.861 -0.291 -8.466 1.00 0.00 C ATOM 925 C SER A 67 -10.966 0.946 -8.562 1.00 0.00 C ATOM 926 O SER A 67 -10.154 1.199 -7.673 1.00 0.00 O ATOM 927 CB SER A 67 -12.677 -0.257 -7.173 1.00 0.00 C ATOM 928 OG SER A 67 -14.064 -0.046 -7.422 1.00 0.00 O ATOM 0 H SER A 67 -10.228 -1.497 -7.943 1.00 0.00 H new ATOM 0 HA SER A 67 -12.558 -0.292 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.544 -1.196 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.300 0.536 -6.527 1.00 0.00 H new ATOM 0 HG SER A 67 -14.551 -0.032 -6.571 1.00 0.00 H new ATOM 934 N SER A 68 -11.144 1.683 -9.648 1.00 0.00 N ATOM 935 CA SER A 68 -10.362 2.887 -9.871 1.00 0.00 C ATOM 936 C SER A 68 -10.497 3.828 -8.672 1.00 0.00 C ATOM 937 O SER A 68 -11.588 4.312 -8.378 1.00 0.00 O ATOM 938 CB SER A 68 -10.798 3.597 -11.154 1.00 0.00 C ATOM 939 OG SER A 68 -10.587 5.005 -11.084 1.00 0.00 O ATOM 0 H SER A 68 -11.818 1.470 -10.383 1.00 0.00 H new ATOM 0 HA SER A 68 -9.317 2.600 -9.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.245 3.189 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.854 3.397 -11.338 1.00 0.00 H new ATOM 0 HG SER A 68 -10.876 5.421 -11.923 1.00 0.00 H new ATOM 945 N LEU A 69 -9.371 4.059 -8.012 1.00 0.00 N ATOM 946 CA LEU A 69 -9.350 4.934 -6.852 1.00 0.00 C ATOM 947 C LEU A 69 -8.706 6.268 -7.236 1.00 0.00 C ATOM 948 O LEU A 69 -7.685 6.654 -6.669 1.00 0.00 O ATOM 949 CB LEU A 69 -8.669 4.240 -5.671 1.00 0.00 C ATOM 950 CG LEU A 69 -9.317 4.455 -4.302 1.00 0.00 C ATOM 951 CD1 LEU A 69 -10.779 4.003 -4.311 1.00 0.00 C ATOM 952 CD2 LEU A 69 -8.511 3.766 -3.199 1.00 0.00 C ATOM 0 H LEU A 69 -8.467 3.655 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.365 5.153 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.639 3.169 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.636 4.584 -5.620 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.311 5.523 -4.085 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.216 4.166 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.333 4.577 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.831 2.943 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.994 3.935 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.463 2.695 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.501 4.176 -3.176 1.00 0.00 H new ATOM 964 N LEU A 70 -9.330 6.935 -8.196 1.00 0.00 N ATOM 965 CA LEU A 70 -8.831 8.217 -8.662 1.00 0.00 C ATOM 966 C LEU A 70 -9.623 9.342 -7.993 1.00 0.00 C ATOM 967 O LEU A 70 -9.141 9.971 -7.052 1.00 0.00 O ATOM 968 CB LEU A 70 -8.851 8.276 -10.191 1.00 0.00 C ATOM 969 CG LEU A 70 -7.777 7.456 -10.908 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.059 7.378 -12.410 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.380 8.005 -10.615 1.00 0.00 C ATOM 0 H LEU A 70 -10.177 6.611 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.788 8.347 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.828 7.938 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.749 9.317 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.810 6.438 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.281 6.790 -12.896 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.027 6.905 -12.574 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.070 8.383 -12.831 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.636 7.404 -11.137 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.316 9.038 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.191 7.965 -9.542 1.00 0.00 H new ATOM 983 N GLY A 71 -10.826 9.560 -8.503 1.00 0.00 N ATOM 984 CA GLY A 71 -11.690 10.598 -7.967 1.00 0.00 C ATOM 985 C GLY A 71 -12.540 10.062 -6.813 1.00 0.00 C ATOM 986 O GLY A 71 -13.728 10.366 -6.719 1.00 0.00 O ATOM 0 H GLY A 71 -11.223 9.035 -9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.085 11.436 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.339 10.979 -8.755 1.00 0.00 H new ATOM 990 N LEU A 72 -11.898 9.272 -5.965 1.00 0.00 N ATOM 991 CA LEU A 72 -12.581 8.690 -4.822 1.00 0.00 C ATOM 992 C LEU A 72 -11.975 9.248 -3.533 1.00 0.00 C ATOM 993 O LEU A 72 -10.755 9.270 -3.375 1.00 0.00 O ATOM 994 CB LEU A 72 -12.554 7.162 -4.902 1.00 0.00 C ATOM 995 CG LEU A 72 -13.593 6.521 -5.825 1.00 0.00 C ATOM 996 CD1 LEU A 72 -13.465 4.996 -5.818 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.006 6.980 -5.463 1.00 0.00 C ATOM 0 H LEU A 72 -10.913 9.021 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.635 8.968 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.563 6.853 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.694 6.763 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.398 6.856 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.215 4.565 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.470 4.713 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.619 4.623 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.725 6.510 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.229 6.695 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.073 8.063 -5.561 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.854 9.687 -2.644 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.421 10.244 -1.374 1.00 0.00 C ATOM 1011 C GLY A 73 -11.762 9.173 -0.502 1.00 0.00 C ATOM 1012 O GLY A 73 -11.373 8.117 -0.998 1.00 0.00 O ATOM 0 H GLY A 73 -13.865 9.668 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.718 11.058 -1.551 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.276 10.670 -0.849 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.656 9.484 0.781 1.00 0.00 N ATOM 1017 CA TYR A 74 -11.050 8.562 1.727 1.00 0.00 C ATOM 1018 C TYR A 74 -12.104 7.644 2.350 1.00 0.00 C ATOM 1019 O TYR A 74 -11.790 6.536 2.782 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.432 9.429 2.825 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.724 8.632 3.923 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.457 8.067 4.947 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.353 8.479 3.889 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.790 7.318 5.980 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.687 7.729 4.922 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.438 7.185 5.916 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.809 6.477 6.892 1.00 0.00 O ATOM 0 H TYR A 74 -11.979 10.362 1.188 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.314 7.931 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.718 10.117 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.216 10.036 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.530 8.187 4.973 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.780 8.922 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.351 6.872 6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.615 7.601 4.907 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.845 6.464 6.717 1.00 0.00 H new ATOM 1037 N LEU A 75 -13.333 8.140 2.376 1.00 0.00 N ATOM 1038 CA LEU A 75 -14.435 7.379 2.939 1.00 0.00 C ATOM 1039 C LEU A 75 -14.956 6.393 1.892 1.00 0.00 C ATOM 1040 O LEU A 75 -15.494 5.342 2.237 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.510 8.319 3.488 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.215 8.955 4.848 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -16.451 9.667 5.400 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.664 7.918 5.829 1.00 0.00 C ATOM 0 H LEU A 75 -13.589 9.059 2.016 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.095 6.790 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.671 9.117 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.445 7.764 3.564 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.443 9.712 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.214 10.110 6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.759 10.450 4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.262 8.948 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.462 8.395 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.396 7.122 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.740 7.497 5.432 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.778 6.767 0.633 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.223 5.929 -0.467 1.00 0.00 C ATOM 1058 C ARG A 76 -14.205 4.819 -0.734 1.00 0.00 C ATOM 1059 O ARG A 76 -14.581 3.683 -1.019 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.418 6.752 -1.742 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.901 7.027 -1.997 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.542 5.885 -2.788 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.947 6.220 -3.111 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.949 6.196 -2.220 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.706 5.853 -0.948 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.193 6.515 -2.602 1.00 0.00 N ATOM 0 H ARG A 76 -14.331 7.640 0.351 1.00 0.00 H new ATOM 0 HA ARG A 76 -16.179 5.489 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.879 7.696 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.992 6.219 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.420 7.152 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.012 7.962 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.981 5.708 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.503 4.963 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.167 6.486 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.759 5.610 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.468 5.835 -0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.378 6.776 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.955 6.497 -1.924 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.936 5.186 -0.633 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.861 4.236 -0.861 1.00 0.00 C ATOM 1082 C ALA A 77 -11.820 3.233 0.294 1.00 0.00 C ATOM 1083 O ALA A 77 -11.770 2.025 0.071 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.540 4.989 -1.027 1.00 0.00 C ATOM 0 H ALA A 77 -12.628 6.129 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.033 3.675 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.734 4.276 -1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.612 5.666 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.332 5.562 -0.123 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.842 3.773 1.504 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.807 2.941 2.695 1.00 0.00 C ATOM 1092 C VAL A 78 -12.935 1.909 2.624 1.00 0.00 C ATOM 1093 O VAL A 78 -12.701 0.715 2.805 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.876 3.817 3.948 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -13.243 4.492 4.070 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -11.550 3.005 5.203 1.00 0.00 C ATOM 0 H VAL A 78 -11.884 4.776 1.685 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.867 2.392 2.750 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.124 4.600 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -13.265 5.108 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.419 5.119 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -14.020 3.731 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.606 3.651 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.267 2.191 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.544 2.594 5.119 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.134 2.408 2.361 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.298 1.544 2.264 1.00 0.00 C ATOM 1108 C ASP A 79 -14.994 0.390 1.307 1.00 0.00 C ATOM 1109 O ASP A 79 -15.263 -0.769 1.621 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.506 2.307 1.716 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.866 1.785 2.181 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -18.278 2.185 3.292 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.465 0.999 1.416 1.00 0.00 O ATOM 0 H ASP A 79 -14.324 3.399 2.212 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.527 1.175 3.263 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.417 3.354 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.474 2.274 0.627 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.437 0.747 0.159 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.093 -0.245 -0.846 1.00 0.00 C ATOM 1120 C LEU A 80 -13.219 -1.327 -0.209 1.00 0.00 C ATOM 1121 O LEU A 80 -13.496 -2.517 -0.351 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.453 0.425 -2.063 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.418 1.097 -3.043 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.661 1.972 -4.044 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.300 0.060 -3.741 1.00 0.00 C ATOM 0 H LEU A 80 -14.215 1.709 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.991 -0.738 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.745 1.174 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.879 -0.326 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.079 1.753 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.370 2.438 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.112 2.746 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.961 1.356 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.976 0.563 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.672 -0.639 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.881 -0.484 -2.996 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.180 -0.876 0.478 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.263 -1.791 1.136 1.00 0.00 C ATOM 1139 C ILE A 81 -11.990 -2.500 2.280 1.00 0.00 C ATOM 1140 O ILE A 81 -11.638 -3.620 2.645 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.995 -1.056 1.575 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -9.081 -0.776 0.380 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.271 -1.824 2.683 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -9.192 0.684 -0.065 1.00 0.00 C ATOM 0 H ILE A 81 -11.953 0.112 0.593 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.932 -2.563 0.441 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.287 -0.091 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.048 -1.001 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.347 -1.433 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.373 -1.280 2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.930 -1.928 3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.993 -2.813 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.532 0.856 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.221 0.899 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.902 1.338 0.757 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.992 -1.817 2.815 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.772 -2.367 3.910 1.00 0.00 C ATOM 1158 C ARG A 82 -14.691 -3.480 3.401 1.00 0.00 C ATOM 1159 O ARG A 82 -14.674 -4.593 3.925 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.618 -1.284 4.582 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.749 -0.365 5.443 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.248 -0.336 6.889 1.00 0.00 C ATOM 1163 NE ARG A 82 -13.493 -1.313 7.705 1.00 0.00 N ATOM 1164 CZ ARG A 82 -12.289 -1.073 8.241 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -11.695 0.113 8.051 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -11.678 -2.019 8.967 1.00 0.00 N ATOM 0 H ARG A 82 -13.281 -0.888 2.510 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.074 -2.774 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.133 -0.696 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.386 -1.749 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.715 -0.708 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.760 0.644 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.129 0.665 7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.312 -0.569 6.920 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.916 -2.226 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.160 0.833 7.498 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.778 0.295 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.130 -2.922 9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.761 -1.836 9.375 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.472 -3.140 2.385 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.396 -4.096 1.800 1.00 0.00 C ATOM 1182 C HIS A 83 -15.721 -4.810 0.626 1.00 0.00 C ATOM 1183 O HIS A 83 -16.368 -5.116 -0.374 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.706 -3.413 1.404 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.335 -2.601 2.511 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.269 -1.220 2.558 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -19.042 -2.991 3.610 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.910 -0.807 3.642 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -19.388 -1.906 4.293 1.00 0.00 N ATOM 0 H HIS A 83 -15.483 -2.216 1.953 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.658 -4.853 2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.520 -2.762 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -18.416 -4.173 1.077 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.806 -0.621 1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.280 -4.009 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.032 0.219 3.955 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.429 -5.053 0.787 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.659 -5.724 -0.246 1.00 0.00 C ATOM 1199 C GLY A 84 -14.353 -7.011 -0.698 1.00 0.00 C ATOM 1200 O GLY A 84 -15.324 -6.964 -1.452 1.00 0.00 O ATOM 0 H GLY A 84 -13.896 -4.797 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.529 -5.058 -1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.663 -5.957 0.131 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.828 -8.128 -0.219 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.384 -9.425 -0.564 1.00 0.00 C ATOM 1206 C GLY A 85 -13.393 -10.548 -0.252 1.00 0.00 C ATOM 1207 O GLY A 85 -12.762 -11.093 -1.156 1.00 0.00 O ATOM 0 H GLY A 85 -13.023 -8.162 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.309 -9.587 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.639 -9.445 -1.623 1.00 0.00 H new ATOM 1211 N LYS A 86 -13.288 -10.862 1.031 1.00 0.00 N ATOM 1212 CA LYS A 86 -12.385 -11.910 1.474 1.00 0.00 C ATOM 1213 C LYS A 86 -10.941 -11.474 1.220 1.00 0.00 C ATOM 1214 O LYS A 86 -10.218 -11.133 2.155 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.749 -13.243 0.818 1.00 0.00 C ATOM 1216 CG LYS A 86 -12.483 -14.413 1.768 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.236 -15.666 1.319 1.00 0.00 C ATOM 1218 CE LYS A 86 -14.690 -15.632 1.794 1.00 0.00 C ATOM 1219 NZ LYS A 86 -15.383 -16.889 1.435 1.00 0.00 N ATOM 0 H LYS A 86 -13.814 -10.408 1.778 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.486 -12.071 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.800 -13.236 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.169 -13.373 -0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.414 -14.621 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.790 -14.143 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.207 -15.742 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.741 -16.553 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.722 -15.488 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.206 -14.784 1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.368 -16.849 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.368 -17.011 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.900 -17.693 1.885 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.564 -11.498 -0.050 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.219 -11.109 -0.439 1.00 0.00 C ATOM 1235 C LYS A 87 -9.208 -9.624 -0.807 1.00 0.00 C ATOM 1236 O LYS A 87 -10.225 -9.079 -1.232 1.00 0.00 O ATOM 1237 CB LYS A 87 -8.697 -12.021 -1.551 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.514 -11.245 -2.857 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.502 -12.190 -4.060 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.238 -11.572 -5.250 1.00 0.00 C ATOM 1241 NZ LYS A 87 -9.551 -12.608 -6.260 1.00 0.00 N ATOM 0 H LYS A 87 -11.167 -11.781 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.530 -11.236 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.746 -12.461 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.394 -12.844 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.319 -10.519 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.581 -10.683 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.473 -12.414 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.971 -13.136 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.158 -11.098 -4.910 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.624 -10.791 -5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.051 -12.172 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.668 -13.042 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.155 -13.339 -5.832 1.00 0.00 H new ATOM 1255 N MET A 88 -8.046 -9.011 -0.629 1.00 0.00 N ATOM 1256 CA MET A 88 -7.890 -7.600 -0.937 1.00 0.00 C ATOM 1257 C MET A 88 -6.802 -7.386 -1.992 1.00 0.00 C ATOM 1258 O MET A 88 -5.646 -7.746 -1.778 1.00 0.00 O ATOM 1259 CB MET A 88 -7.523 -6.837 0.337 1.00 0.00 C ATOM 1260 CG MET A 88 -8.662 -6.893 1.357 1.00 0.00 C ATOM 1261 SD MET A 88 -10.151 -6.213 0.647 1.00 0.00 S ATOM 1262 CE MET A 88 -9.461 -4.844 -0.267 1.00 0.00 C ATOM 0 H MET A 88 -7.204 -9.466 -0.275 1.00 0.00 H new ATOM 0 HA MET A 88 -8.834 -7.228 -1.335 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.619 -7.263 0.772 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.300 -5.799 0.092 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.834 -7.924 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.388 -6.334 2.252 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.267 -4.264 -0.718 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.889 -4.207 0.408 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.805 -5.223 -1.050 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.212 -6.801 -3.108 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.287 -6.535 -4.196 1.00 0.00 C ATOM 1274 C ARG A 89 -6.093 -5.028 -4.371 1.00 0.00 C ATOM 1275 O ARG A 89 -7.064 -4.274 -4.414 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.795 -7.133 -5.510 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.856 -6.791 -6.668 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.639 -6.260 -7.871 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.637 -7.264 -8.958 1.00 0.00 N ATOM 1280 CZ ARG A 89 -7.503 -8.283 -9.043 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -8.447 -8.439 -8.104 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -7.426 -9.145 -10.065 1.00 0.00 N ATOM 0 H ARG A 89 -8.172 -6.504 -3.282 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.335 -7.001 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.879 -8.215 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.794 -6.754 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.130 -6.045 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.293 -7.678 -6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.664 -6.032 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.194 -5.329 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.931 -7.175 -9.689 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.506 -7.782 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.107 -9.214 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.708 -9.026 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.086 -9.920 -10.129 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.832 -4.633 -4.467 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.498 -3.229 -4.637 1.00 0.00 C ATOM 1298 C PHE A 90 -3.492 -3.038 -5.774 1.00 0.00 C ATOM 1299 O PHE A 90 -2.576 -3.842 -5.938 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.863 -2.759 -3.326 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.676 -3.114 -2.079 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.918 -2.589 -1.904 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.155 -3.955 -1.145 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.672 -2.919 -0.747 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.909 -4.284 0.012 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.152 -3.759 0.187 1.00 0.00 C ATOM 0 H PHE A 90 -4.029 -5.261 -4.430 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.395 -2.660 -4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.870 -3.199 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.731 -1.678 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.331 -1.921 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.168 -4.372 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.659 -2.503 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.496 -4.951 0.754 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.725 -4.009 1.067 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.697 -1.969 -6.528 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.819 -1.662 -7.645 1.00 0.00 C ATOM 1318 C LEU A 91 -1.903 -0.497 -7.263 1.00 0.00 C ATOM 1319 O LEU A 91 -2.234 0.663 -7.504 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.635 -1.411 -8.915 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.839 -1.333 -10.219 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.901 -2.532 -10.362 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.773 -1.189 -11.423 1.00 0.00 C ATOM 0 H LEU A 91 -4.458 -1.304 -6.388 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.177 -2.513 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.375 -2.206 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.184 -0.478 -8.792 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.216 -0.440 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.347 -2.451 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.201 -2.548 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.485 -3.452 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.182 -1.136 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.440 -2.050 -11.471 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.363 -0.279 -11.319 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.769 -0.847 -6.674 1.00 0.00 N ATOM 1336 CA VAL A 92 0.197 0.154 -6.256 1.00 0.00 C ATOM 1337 C VAL A 92 1.338 0.212 -7.274 1.00 0.00 C ATOM 1338 O VAL A 92 1.694 -0.803 -7.871 1.00 0.00 O ATOM 1339 CB VAL A 92 0.679 -0.144 -4.835 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.532 -1.631 -4.507 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.123 0.321 -4.637 1.00 0.00 C ATOM 0 H VAL A 92 -0.498 -1.810 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.265 1.141 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 92 0.049 0.416 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.882 -1.816 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.516 -1.920 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.125 -2.219 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.441 0.097 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.772 -0.198 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.186 1.395 -4.809 1.00 0.00 H new ATOM 1351 N ALA A 93 1.879 1.410 -7.442 1.00 0.00 N ATOM 1352 CA ALA A 93 2.972 1.614 -8.377 1.00 0.00 C ATOM 1353 C ALA A 93 4.297 1.616 -7.614 1.00 0.00 C ATOM 1354 O ALA A 93 4.316 1.459 -6.394 1.00 0.00 O ATOM 1355 CB ALA A 93 2.744 2.912 -9.154 1.00 0.00 C ATOM 0 H ALA A 93 1.580 2.250 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 93 3.012 0.802 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.564 3.065 -9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.804 2.847 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.701 3.750 -8.458 1.00 0.00 H new ATOM 1361 N LYS A 94 5.375 1.796 -8.363 1.00 0.00 N ATOM 1362 CA LYS A 94 6.702 1.821 -7.772 1.00 0.00 C ATOM 1363 C LYS A 94 7.068 3.262 -7.411 1.00 0.00 C ATOM 1364 O LYS A 94 7.505 4.029 -8.268 1.00 0.00 O ATOM 1365 CB LYS A 94 7.714 1.143 -8.699 1.00 0.00 C ATOM 1366 CG LYS A 94 8.634 0.206 -7.914 1.00 0.00 C ATOM 1367 CD LYS A 94 9.385 0.966 -6.818 1.00 0.00 C ATOM 1368 CE LYS A 94 8.842 0.609 -5.433 1.00 0.00 C ATOM 1369 NZ LYS A 94 9.952 0.460 -4.465 1.00 0.00 N ATOM 0 H LYS A 94 5.356 1.926 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 94 6.718 1.246 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.187 0.580 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.310 1.900 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.047 -0.597 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.348 -0.261 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.448 0.728 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.290 2.039 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.157 1.385 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.272 -0.318 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.567 0.218 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.591 -0.297 -4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.479 1.354 -4.401 1.00 0.00 H new ATOM 1383 N SER A 95 6.876 3.586 -6.141 1.00 0.00 N ATOM 1384 CA SER A 95 7.180 4.922 -5.655 1.00 0.00 C ATOM 1385 C SER A 95 8.675 5.039 -5.349 1.00 0.00 C ATOM 1386 O SER A 95 9.450 4.137 -5.664 1.00 0.00 O ATOM 1387 CB SER A 95 6.355 5.257 -4.411 1.00 0.00 C ATOM 1388 OG SER A 95 5.401 6.285 -4.665 1.00 0.00 O ATOM 0 H SER A 95 6.514 2.947 -5.433 1.00 0.00 H new ATOM 0 HA SER A 95 6.918 5.638 -6.434 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.839 4.361 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.021 5.571 -3.608 1.00 0.00 H new ATOM 0 HG SER A 95 4.826 6.399 -3.879 1.00 0.00 H new ATOM 1394 N ASP A 96 9.035 6.158 -4.737 1.00 0.00 N ATOM 1395 CA ASP A 96 10.422 6.405 -4.384 1.00 0.00 C ATOM 1396 C ASP A 96 10.530 6.616 -2.873 1.00 0.00 C ATOM 1397 O ASP A 96 9.519 6.645 -2.173 1.00 0.00 O ATOM 1398 CB ASP A 96 10.951 7.663 -5.076 1.00 0.00 C ATOM 1399 CG ASP A 96 10.714 7.719 -6.587 1.00 0.00 C ATOM 1400 OD1 ASP A 96 9.780 7.022 -7.040 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.470 8.457 -7.254 1.00 0.00 O ATOM 0 H ASP A 96 8.389 6.904 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 96 11.009 5.544 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.484 8.535 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.022 7.739 -4.888 1.00 0.00 H new ATOM 1406 N VAL A 97 11.765 6.759 -2.414 1.00 0.00 N ATOM 1407 CA VAL A 97 12.018 6.967 -0.998 1.00 0.00 C ATOM 1408 C VAL A 97 11.545 8.366 -0.600 1.00 0.00 C ATOM 1409 O VAL A 97 10.903 8.537 0.435 1.00 0.00 O ATOM 1410 CB VAL A 97 13.497 6.725 -0.690 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.845 7.192 0.725 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.865 5.253 -0.888 1.00 0.00 C ATOM 0 H VAL A 97 12.601 6.735 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 97 11.454 6.251 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 97 14.087 7.314 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.902 7.009 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.639 8.258 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.243 6.642 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.922 5.109 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.264 4.635 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.672 4.966 -1.922 1.00 0.00 H new ATOM 1422 N GLU A 98 11.881 9.332 -1.443 1.00 0.00 N ATOM 1423 CA GLU A 98 11.499 10.711 -1.192 1.00 0.00 C ATOM 1424 C GLU A 98 10.014 10.793 -0.830 1.00 0.00 C ATOM 1425 O GLU A 98 9.658 11.304 0.231 1.00 0.00 O ATOM 1426 CB GLU A 98 11.818 11.596 -2.398 1.00 0.00 C ATOM 1427 CG GLU A 98 13.244 12.144 -2.314 1.00 0.00 C ATOM 1428 CD GLU A 98 13.438 13.320 -3.274 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.661 13.044 -4.472 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.358 14.468 -2.787 1.00 0.00 O ATOM 0 H GLU A 98 12.414 9.186 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 98 12.080 11.081 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.699 11.022 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.109 12.423 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.455 12.465 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.956 11.354 -2.553 1.00 0.00 H new ATOM 1437 N THR A 99 9.189 10.282 -1.731 1.00 0.00 N ATOM 1438 CA THR A 99 7.751 10.291 -1.519 1.00 0.00 C ATOM 1439 C THR A 99 7.418 9.828 -0.099 1.00 0.00 C ATOM 1440 O THR A 99 6.610 10.452 0.587 1.00 0.00 O ATOM 1441 CB THR A 99 7.108 9.427 -2.606 1.00 0.00 C ATOM 1442 OG1 THR A 99 7.110 10.263 -3.760 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.624 9.162 -2.341 1.00 0.00 C ATOM 0 H THR A 99 9.488 9.859 -2.610 1.00 0.00 H new ATOM 0 HA THR A 99 7.345 11.299 -1.602 1.00 0.00 H new ATOM 0 HB THR A 99 7.640 8.478 -2.677 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.711 9.780 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.216 8.545 -3.141 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.511 8.643 -1.389 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.086 10.109 -2.303 1.00 0.00 H new ATOM 1451 N ALA A 100 8.058 8.739 0.299 1.00 0.00 N ATOM 1452 CA ALA A 100 7.840 8.185 1.625 1.00 0.00 C ATOM 1453 C ALA A 100 8.156 9.252 2.676 1.00 0.00 C ATOM 1454 O ALA A 100 7.358 9.492 3.581 1.00 0.00 O ATOM 1455 CB ALA A 100 8.691 6.926 1.799 1.00 0.00 C ATOM 0 H ALA A 100 8.728 8.225 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 100 6.797 7.894 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.527 6.511 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.409 6.189 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.744 7.180 1.681 1.00 0.00 H new ATOM 1461 N LYS A 101 9.322 9.862 2.521 1.00 0.00 N ATOM 1462 CA LYS A 101 9.753 10.897 3.446 1.00 0.00 C ATOM 1463 C LYS A 101 8.567 11.804 3.779 1.00 0.00 C ATOM 1464 O LYS A 101 8.234 11.993 4.948 1.00 0.00 O ATOM 1465 CB LYS A 101 10.962 11.647 2.884 1.00 0.00 C ATOM 1466 CG LYS A 101 12.114 10.686 2.585 1.00 0.00 C ATOM 1467 CD LYS A 101 13.466 11.344 2.865 1.00 0.00 C ATOM 1468 CE LYS A 101 14.611 10.521 2.272 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.757 11.394 1.935 1.00 0.00 N ATOM 0 H LYS A 101 9.981 9.660 1.769 1.00 0.00 H new ATOM 0 HA LYS A 101 10.089 10.454 4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.677 12.173 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.290 12.402 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.010 9.788 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.068 10.371 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.479 12.349 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.608 11.448 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.925 9.758 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.268 10.001 1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.525 10.819 1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.458 12.106 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.095 11.871 2.795 1.00 0.00 H new ATOM 1483 N LYS A 102 7.961 12.341 2.730 1.00 0.00 N ATOM 1484 CA LYS A 102 6.818 13.223 2.896 1.00 0.00 C ATOM 1485 C LYS A 102 5.703 12.474 3.627 1.00 0.00 C ATOM 1486 O LYS A 102 5.012 13.049 4.467 1.00 0.00 O ATOM 1487 CB LYS A 102 6.388 13.803 1.547 1.00 0.00 C ATOM 1488 CG LYS A 102 7.494 14.673 0.946 1.00 0.00 C ATOM 1489 CD LYS A 102 7.566 14.498 -0.572 1.00 0.00 C ATOM 1490 CE LYS A 102 8.920 14.960 -1.114 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.738 16.016 -2.134 1.00 0.00 N ATOM 0 H LYS A 102 8.240 12.182 1.762 1.00 0.00 H new ATOM 0 HA LYS A 102 7.085 14.080 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.144 12.993 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.483 14.396 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.309 15.720 1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.453 14.408 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.406 13.451 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.767 15.068 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.535 15.337 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.452 14.114 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.667 16.318 -2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.169 15.644 -2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.250 16.830 -1.708 1.00 0.00 H new ATOM 1505 N ILE A 103 5.562 11.203 3.281 1.00 0.00 N ATOM 1506 CA ILE A 103 4.542 10.369 3.895 1.00 0.00 C ATOM 1507 C ILE A 103 4.867 10.181 5.378 1.00 0.00 C ATOM 1508 O ILE A 103 3.980 9.889 6.179 1.00 0.00 O ATOM 1509 CB ILE A 103 4.391 9.055 3.127 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.191 9.313 1.632 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.267 8.201 3.717 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.714 9.199 1.249 1.00 0.00 C ATOM 0 H ILE A 103 6.137 10.730 2.584 1.00 0.00 H new ATOM 0 HA ILE A 103 3.569 10.856 3.841 1.00 0.00 H new ATOM 0 HB ILE A 103 5.316 8.488 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.561 10.306 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.777 8.598 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.181 7.273 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.492 7.973 4.759 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.326 8.749 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.599 9.387 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.354 8.197 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.135 9.932 1.811 1.00 0.00 H new ATOM 1524 N HIS A 104 6.140 10.357 5.699 1.00 0.00 N ATOM 1525 CA HIS A 104 6.593 10.211 7.072 1.00 0.00 C ATOM 1526 C HIS A 104 6.174 11.437 7.884 1.00 0.00 C ATOM 1527 O HIS A 104 5.822 12.471 7.318 1.00 0.00 O ATOM 1528 CB HIS A 104 8.100 9.953 7.122 1.00 0.00 C ATOM 1529 CG HIS A 104 8.469 8.542 7.513 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.577 8.244 8.288 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.867 7.352 7.229 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.629 6.931 8.456 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.568 6.380 7.799 1.00 0.00 N ATOM 0 H HIS A 104 6.872 10.599 5.032 1.00 0.00 H new ATOM 0 HA HIS A 104 6.119 9.340 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.528 10.172 6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.554 10.646 7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.971 7.222 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.379 6.392 9.015 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.349 5.385 7.753 1.00 0.00 H new ATOM 1541 N SER A 105 6.226 11.282 9.199 1.00 0.00 N ATOM 1542 CA SER A 105 5.856 12.365 10.095 1.00 0.00 C ATOM 1543 C SER A 105 7.056 12.764 10.956 1.00 0.00 C ATOM 1544 O SER A 105 7.684 11.913 11.585 1.00 0.00 O ATOM 1545 CB SER A 105 4.675 11.966 10.982 1.00 0.00 C ATOM 1546 OG SER A 105 3.423 12.213 10.348 1.00 0.00 O ATOM 0 H SER A 105 6.519 10.423 9.665 1.00 0.00 H new ATOM 0 HA SER A 105 5.550 13.220 9.492 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.752 10.908 11.233 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.722 12.520 11.919 1.00 0.00 H new ATOM 0 HG SER A 105 2.695 11.943 10.946 1.00 0.00 H new ATOM 1552 N GLY A 106 7.338 14.059 10.958 1.00 0.00 N ATOM 1553 CA GLY A 106 8.451 14.581 11.732 1.00 0.00 C ATOM 1554 C GLY A 106 9.639 14.915 10.827 1.00 0.00 C ATOM 1555 O GLY A 106 9.803 14.316 9.765 1.00 0.00 O ATOM 0 H GLY A 106 6.815 14.762 10.436 1.00 0.00 H new ATOM 0 HA2 GLY A 106 8.137 15.475 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.754 13.848 12.480 1.00 0.00 H new ATOM 1559 N PRO A 107 10.459 15.895 11.293 1.00 0.00 N ATOM 1560 CA PRO A 107 11.627 16.315 10.538 1.00 0.00 C ATOM 1561 C PRO A 107 12.749 15.280 10.642 1.00 0.00 C ATOM 1562 O PRO A 107 13.459 15.227 11.645 1.00 0.00 O ATOM 1563 CB PRO A 107 12.009 17.665 11.124 1.00 0.00 C ATOM 1564 CG PRO A 107 11.332 17.737 12.483 1.00 0.00 C ATOM 1565 CD PRO A 107 10.296 16.625 12.547 1.00 0.00 C ATOM 0 HA PRO A 107 11.429 16.400 9.470 1.00 0.00 H new ATOM 0 HB2 PRO A 107 13.091 17.756 11.221 1.00 0.00 H new ATOM 0 HB3 PRO A 107 11.677 18.479 10.479 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.065 17.622 13.281 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.858 18.709 12.623 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.463 15.977 13.407 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.288 17.028 12.643 1.00 0.00 H new ATOM 1573 N SER A 108 12.874 14.483 9.591 1.00 0.00 N ATOM 1574 CA SER A 108 13.897 13.452 9.551 1.00 0.00 C ATOM 1575 C SER A 108 15.257 14.051 9.915 1.00 0.00 C ATOM 1576 O SER A 108 15.896 13.614 10.871 1.00 0.00 O ATOM 1577 CB SER A 108 13.960 12.791 8.172 1.00 0.00 C ATOM 1578 OG SER A 108 14.106 13.749 7.127 1.00 0.00 O ATOM 0 H SER A 108 12.284 14.530 8.761 1.00 0.00 H new ATOM 0 HA SER A 108 13.638 12.684 10.280 1.00 0.00 H new ATOM 0 HB2 SER A 108 14.796 12.092 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 108 13.053 12.210 8.007 1.00 0.00 H new ATOM 0 HG SER A 108 14.144 13.288 6.263 1.00 0.00 H new ATOM 1584 N SER A 109 15.660 15.041 9.133 1.00 0.00 N ATOM 1585 CA SER A 109 16.933 15.704 9.361 1.00 0.00 C ATOM 1586 C SER A 109 16.698 17.120 9.890 1.00 0.00 C ATOM 1587 O SER A 109 15.861 17.852 9.364 1.00 0.00 O ATOM 1588 CB SER A 109 17.769 15.748 8.080 1.00 0.00 C ATOM 1589 OG SER A 109 19.141 15.453 8.327 1.00 0.00 O ATOM 0 H SER A 109 15.128 15.400 8.341 1.00 0.00 H new ATOM 0 HA SER A 109 17.488 15.132 10.105 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.368 15.033 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 109 17.687 16.736 7.627 1.00 0.00 H new ATOM 0 HG SER A 109 19.640 15.490 7.485 1.00 0.00 H new ATOM 1595 N GLY A 110 17.452 17.464 10.923 1.00 0.00 N ATOM 1596 CA GLY A 110 17.337 18.780 11.529 1.00 0.00 C ATOM 1597 C GLY A 110 18.571 19.106 12.372 1.00 0.00 C ATOM 1598 O GLY A 110 19.690 19.115 11.862 1.00 0.00 O ATOM 0 H GLY A 110 18.145 16.854 11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 110 17.215 19.533 10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.445 18.820 12.154 1.00 0.00 H new TER 1602 GLY A 110