USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 992 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 125 ASN : amide:sc= 0.796 K(o=1.5,f=-1.7) USER MOD Set 1.2: A 129 LYS NZ :NH3+ 146:sc= 0.726 (180deg=-0.00463) USER MOD Set 2.1: A 29 LYS NZ :NH3+ 163:sc= 2.05 (180deg=0.289) USER MOD Set 2.2: A 131 SER OG : rot 180:sc= 0.798 USER MOD Set 3.1: A 8 SER OG : rot 110:sc= 2.59 USER MOD Set 3.2: A 15 SER OG : rot 78:sc= 0.93 USER MOD Set 4.1: A 12 SER OG : rot -153:sc= 0.554 USER MOD Set 4.2: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 43 HIS : no HD1:sc= 0.989 K(o=1.5,f=-7.3!) USER MOD Set 5.1: A 11 ASN : amide:sc= -0.654 K(o=2.3,f=-6.9!) USER MOD Set 5.2: A 16 GLN : amide:sc= 0.521 K(o=2.3,f=-1.3!) USER MOD Set 5.3: A 34 SER OG : rot -44:sc= 1.61 USER MOD Set 5.4: A 62 SER OG : rot 180:sc= 0.8 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= 2.52 (180deg=2.22) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.05) USER MOD Single : A 5 MET CE :methyl -151:sc= -0.778 (180deg=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -153:sc=-0.00495 (180deg=-0.214) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -72:sc= 0.23 USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.54 USER MOD Single : A 35 SER OG : rot -89:sc= 0.0577 USER MOD Single : A 39 SER OG : rot -33:sc= 0.681 USER MOD Single : A 40 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 173:sc= -0.36 (180deg=-0.556) USER MOD Single : A 50 MET CE :methyl -151:sc= -1.4 (180deg=-4.96!) USER MOD Single : A 58 SER OG : rot -95:sc= 1.12 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0785 F(o=-1.1!,f=-0.078) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.87 K(o=0.87,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.669 K(o=0.67,f=-0.061) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 29:sc= 0.352 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 92 THR OG1 : rot -79:sc= 0.0975 USER MOD Single : A 93 GLN : amide:sc= 0.833 K(o=0.83,f=-0.16) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 118 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.464 0.398 -0.413 1.00 0.00 N ATOM 2 CA MET A 1 1.376 0.259 -1.598 1.00 0.00 C ATOM 3 C MET A 1 1.666 -1.224 -1.907 1.00 0.00 C ATOM 4 O MET A 1 1.966 -1.984 -0.993 1.00 0.00 O ATOM 5 CB MET A 1 2.709 1.036 -1.388 1.00 0.00 C ATOM 6 CG MET A 1 3.552 1.218 -2.657 1.00 0.00 C ATOM 7 SD MET A 1 5.217 1.881 -2.355 1.00 0.00 S ATOM 8 CE MET A 1 4.856 3.616 -1.959 1.00 0.00 C ATOM 0 H1 MET A 1 0.286 1.406 -0.228 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.437 -0.082 -0.610 1.00 0.00 H new ATOM 0 H3 MET A 1 0.911 -0.033 0.421 1.00 0.00 H new ATOM 0 HA MET A 1 0.860 0.696 -2.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.480 2.019 -0.976 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.307 0.510 -0.643 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.642 0.256 -3.161 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.025 1.886 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.787 4.143 -1.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.354 4.085 -2.805 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.210 3.662 -1.082 1.00 0.00 H new ATOM 20 N LYS A 2 1.659 -1.632 -3.188 1.00 0.00 N ATOM 21 CA LYS A 2 2.060 -2.987 -3.645 1.00 0.00 C ATOM 22 C LYS A 2 3.542 -3.007 -4.057 1.00 0.00 C ATOM 23 O LYS A 2 3.861 -2.696 -5.199 1.00 0.00 O ATOM 24 CB LYS A 2 1.135 -3.435 -4.805 1.00 0.00 C ATOM 25 CG LYS A 2 -0.378 -3.352 -4.519 1.00 0.00 C ATOM 26 CD LYS A 2 -0.864 -4.208 -3.341 1.00 0.00 C ATOM 27 CE LYS A 2 -0.765 -5.706 -3.653 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.136 -6.519 -2.467 1.00 0.00 N ATOM 0 H LYS A 2 1.370 -1.023 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 2 1.948 -3.695 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.356 -2.823 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.382 -4.464 -5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -0.639 -2.312 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.919 -3.654 -5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.270 -3.980 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.897 -3.952 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -1.422 -5.952 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.251 -5.951 -3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.293 -7.505 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.368 -6.482 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -2.008 -6.140 -2.045 1.00 0.00 H new ATOM 42 N LYS A 3 4.462 -3.319 -3.135 1.00 0.00 N ATOM 43 CA LYS A 3 5.908 -3.378 -3.447 1.00 0.00 C ATOM 44 C LYS A 3 6.256 -4.647 -4.235 1.00 0.00 C ATOM 45 O LYS A 3 5.686 -5.712 -3.989 1.00 0.00 O ATOM 46 CB LYS A 3 6.791 -3.252 -2.189 1.00 0.00 C ATOM 47 CG LYS A 3 6.659 -1.930 -1.409 1.00 0.00 C ATOM 48 CD LYS A 3 5.654 -1.976 -0.244 1.00 0.00 C ATOM 49 CE LYS A 3 5.759 -0.755 0.689 1.00 0.00 C ATOM 50 NZ LYS A 3 6.941 -0.842 1.593 1.00 0.00 N ATOM 0 H LYS A 3 4.237 -3.536 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 3 6.125 -2.514 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.552 -4.075 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.833 -3.375 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.638 -1.654 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.359 -1.143 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.642 -2.033 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.819 -2.884 0.335 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.827 0.154 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.851 -0.676 1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.012 0.030 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.832 -1.657 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.804 -0.959 1.025 1.00 0.00 H new ATOM 64 N VAL A 4 7.208 -4.536 -5.162 1.00 0.00 N ATOM 65 CA VAL A 4 7.622 -5.632 -6.066 1.00 0.00 C ATOM 66 C VAL A 4 9.127 -5.903 -5.995 1.00 0.00 C ATOM 67 O VAL A 4 9.904 -4.966 -5.827 1.00 0.00 O ATOM 68 CB VAL A 4 7.096 -5.389 -7.497 1.00 0.00 C ATOM 69 CG1 VAL A 4 7.445 -4.034 -8.110 1.00 0.00 C ATOM 70 CG2 VAL A 4 7.558 -6.449 -8.500 1.00 0.00 C ATOM 0 H VAL A 4 7.727 -3.672 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 4 7.157 -6.556 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 4 6.019 -5.435 -7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.027 -3.970 -9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.029 -3.238 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.528 -3.926 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.153 -6.218 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.647 -6.455 -8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.203 -7.430 -8.182 1.00 0.00 H new ATOM 80 N MET A 5 9.537 -7.170 -6.131 1.00 0.00 N ATOM 81 CA MET A 5 10.942 -7.613 -6.078 1.00 0.00 C ATOM 82 C MET A 5 11.287 -8.574 -7.223 1.00 0.00 C ATOM 83 O MET A 5 10.749 -9.683 -7.287 1.00 0.00 O ATOM 84 CB MET A 5 11.256 -8.304 -4.733 1.00 0.00 C ATOM 85 CG MET A 5 12.733 -8.745 -4.621 1.00 0.00 C ATOM 86 SD MET A 5 13.888 -7.357 -4.627 1.00 0.00 S ATOM 87 CE MET A 5 14.060 -7.027 -2.860 1.00 0.00 C ATOM 0 H MET A 5 8.885 -7.939 -6.285 1.00 0.00 H new ATOM 0 HA MET A 5 11.551 -6.715 -6.181 1.00 0.00 H new ATOM 0 HB2 MET A 5 11.021 -7.622 -3.915 1.00 0.00 H new ATOM 0 HB3 MET A 5 10.611 -9.175 -4.617 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.867 -9.317 -3.703 1.00 0.00 H new ATOM 0 HG3 MET A 5 12.971 -9.412 -5.450 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.281 -5.971 -2.707 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.131 -7.281 -2.350 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.872 -7.630 -2.455 1.00 0.00 H new ATOM 97 N PHE A 6 12.212 -8.181 -8.099 1.00 0.00 N ATOM 98 CA PHE A 6 12.801 -9.093 -9.097 1.00 0.00 C ATOM 99 C PHE A 6 13.969 -9.897 -8.494 1.00 0.00 C ATOM 100 O PHE A 6 14.741 -9.341 -7.716 1.00 0.00 O ATOM 101 CB PHE A 6 13.218 -8.301 -10.342 1.00 0.00 C ATOM 102 CG PHE A 6 12.095 -7.437 -10.868 1.00 0.00 C ATOM 103 CD1 PHE A 6 11.006 -8.012 -11.543 1.00 0.00 C ATOM 104 CD2 PHE A 6 12.066 -6.070 -10.549 1.00 0.00 C ATOM 105 CE1 PHE A 6 9.862 -7.251 -11.806 1.00 0.00 C ATOM 106 CE2 PHE A 6 10.924 -5.302 -10.817 1.00 0.00 C ATOM 107 CZ PHE A 6 9.808 -5.896 -11.439 1.00 0.00 C ATOM 0 H PHE A 6 12.576 -7.229 -8.142 1.00 0.00 H new ATOM 0 HA PHE A 6 12.051 -9.823 -9.402 1.00 0.00 H new ATOM 0 HB2 PHE A 6 14.076 -7.673 -10.101 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.538 -8.993 -11.121 1.00 0.00 H new ATOM 0 HD1 PHE A 6 11.052 -9.044 -11.860 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.929 -5.607 -10.094 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.014 -7.708 -12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 6 10.900 -4.257 -10.547 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.919 -5.315 -11.632 1.00 0.00 H new ATOM 117 N VAL A 7 14.103 -11.183 -8.842 1.00 0.00 N ATOM 118 CA VAL A 7 15.112 -12.114 -8.297 1.00 0.00 C ATOM 119 C VAL A 7 15.790 -12.931 -9.411 1.00 0.00 C ATOM 120 O VAL A 7 15.123 -13.623 -10.178 1.00 0.00 O ATOM 121 CB VAL A 7 14.472 -13.055 -7.247 1.00 0.00 C ATOM 122 CG1 VAL A 7 15.549 -13.835 -6.481 1.00 0.00 C ATOM 123 CG2 VAL A 7 13.629 -12.309 -6.203 1.00 0.00 C ATOM 0 H VAL A 7 13.495 -11.623 -9.533 1.00 0.00 H new ATOM 0 HA VAL A 7 15.883 -11.517 -7.810 1.00 0.00 H new ATOM 0 HB VAL A 7 13.827 -13.722 -7.818 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.074 -14.489 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.130 -14.435 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.209 -13.136 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.208 -13.024 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 7 14.258 -11.598 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.821 -11.774 -6.702 1.00 0.00 H new ATOM 133 N SER A 8 17.125 -12.892 -9.493 1.00 0.00 N ATOM 134 CA SER A 8 17.946 -13.697 -10.437 1.00 0.00 C ATOM 135 C SER A 8 19.292 -14.101 -9.814 1.00 0.00 C ATOM 136 O SER A 8 19.554 -13.749 -8.671 1.00 0.00 O ATOM 137 CB SER A 8 18.103 -12.925 -11.760 1.00 0.00 C ATOM 138 OG SER A 8 18.392 -11.560 -11.528 1.00 0.00 O ATOM 0 H SER A 8 17.689 -12.288 -8.895 1.00 0.00 H new ATOM 0 HA SER A 8 17.434 -14.635 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.902 -13.372 -12.352 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.187 -13.011 -12.344 1.00 0.00 H new ATOM 0 HG SER A 8 19.318 -11.373 -11.787 1.00 0.00 H new ATOM 144 N LYS A 9 20.185 -14.825 -10.516 1.00 0.00 N ATOM 145 CA LYS A 9 21.543 -15.127 -9.989 1.00 0.00 C ATOM 146 C LYS A 9 22.345 -13.840 -9.784 1.00 0.00 C ATOM 147 O LYS A 9 22.678 -13.498 -8.655 1.00 0.00 O ATOM 148 CB LYS A 9 22.237 -16.211 -10.847 1.00 0.00 C ATOM 149 CG LYS A 9 23.516 -16.729 -10.161 1.00 0.00 C ATOM 150 CD LYS A 9 24.124 -17.980 -10.820 1.00 0.00 C ATOM 151 CE LYS A 9 24.718 -17.713 -12.213 1.00 0.00 C ATOM 152 NZ LYS A 9 25.372 -18.937 -12.768 1.00 0.00 N ATOM 0 H LYS A 9 19.999 -15.211 -11.442 1.00 0.00 H new ATOM 0 HA LYS A 9 21.466 -15.567 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.550 -17.040 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 9 22.487 -15.800 -11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.262 -15.934 -10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.290 -16.955 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.904 -18.380 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.354 -18.747 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.930 -17.381 -12.889 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.447 -16.905 -12.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.763 -18.726 -13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.139 -19.239 -12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.670 -19.700 -12.849 1.00 0.00 H new ATOM 166 N ARG A 10 22.564 -13.073 -10.853 1.00 0.00 N ATOM 167 CA ARG A 10 23.102 -11.699 -10.782 1.00 0.00 C ATOM 168 C ARG A 10 21.908 -10.791 -10.595 1.00 0.00 C ATOM 169 O ARG A 10 20.929 -10.956 -11.308 1.00 0.00 O ATOM 170 CB ARG A 10 23.838 -11.315 -12.080 1.00 0.00 C ATOM 171 CG ARG A 10 25.286 -11.815 -12.126 1.00 0.00 C ATOM 172 CD ARG A 10 25.419 -13.342 -12.094 1.00 0.00 C ATOM 173 NE ARG A 10 26.830 -13.721 -12.235 1.00 0.00 N ATOM 174 CZ ARG A 10 27.517 -13.757 -13.361 1.00 0.00 C ATOM 175 NH1 ARG A 10 26.967 -13.685 -14.534 1.00 0.00 N ATOM 176 NH2 ARG A 10 28.812 -13.829 -13.359 1.00 0.00 N ATOM 0 H ARG A 10 22.373 -13.384 -11.805 1.00 0.00 H new ATOM 0 HA ARG A 10 23.821 -11.614 -9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 10 23.293 -11.721 -12.932 1.00 0.00 H new ATOM 0 HB3 ARG A 10 23.832 -10.230 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 10 25.761 -11.438 -13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 10 25.832 -11.395 -11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.020 -13.731 -11.157 1.00 0.00 H new ATOM 0 HD3 ARG A 10 24.832 -13.784 -12.899 1.00 0.00 H new ATOM 0 HE ARG A 10 27.326 -13.981 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 10 25.954 -13.596 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 10 27.547 -13.718 -15.372 1.00 0.00 H new ATOM 0 HH21 ARG A 10 29.320 -13.859 -12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 10 29.323 -13.856 -14.242 1.00 0.00 H new ATOM 190 N ASN A 11 21.974 -9.812 -9.709 1.00 0.00 N ATOM 191 CA ASN A 11 20.926 -8.792 -9.677 1.00 0.00 C ATOM 192 C ASN A 11 21.104 -7.894 -10.897 1.00 0.00 C ATOM 193 O ASN A 11 20.217 -7.800 -11.734 1.00 0.00 O ATOM 194 CB ASN A 11 20.927 -7.983 -8.364 1.00 0.00 C ATOM 195 CG ASN A 11 19.748 -7.031 -8.386 1.00 0.00 C ATOM 196 OD1 ASN A 11 18.658 -7.438 -8.712 1.00 0.00 O ATOM 197 ND2 ASN A 11 19.901 -5.761 -8.134 1.00 0.00 N ATOM 0 H ASN A 11 22.716 -9.697 -9.019 1.00 0.00 H new ATOM 0 HA ASN A 11 19.951 -9.278 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 11 20.858 -8.652 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 11 21.860 -7.429 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 11 19.107 -5.126 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.815 -5.402 -7.858 1.00 0.00 H new ATOM 204 N SER A 12 22.288 -7.311 -11.047 1.00 0.00 N ATOM 205 CA SER A 12 22.617 -6.357 -12.114 1.00 0.00 C ATOM 206 C SER A 12 22.266 -6.831 -13.525 1.00 0.00 C ATOM 207 O SER A 12 21.580 -6.123 -14.259 1.00 0.00 O ATOM 208 CB SER A 12 24.097 -6.046 -12.014 1.00 0.00 C ATOM 209 OG SER A 12 24.825 -7.258 -11.972 1.00 0.00 O ATOM 0 H SER A 12 23.070 -7.490 -10.417 1.00 0.00 H new ATOM 0 HA SER A 12 22.002 -5.470 -11.961 1.00 0.00 H new ATOM 0 HB2 SER A 12 24.413 -5.447 -12.868 1.00 0.00 H new ATOM 0 HB3 SER A 12 24.297 -5.456 -11.119 1.00 0.00 H new ATOM 0 HG SER A 12 25.673 -7.114 -11.503 1.00 0.00 H new ATOM 215 N SER A 13 22.668 -8.053 -13.880 1.00 0.00 N ATOM 216 CA SER A 13 22.499 -8.600 -15.235 1.00 0.00 C ATOM 217 C SER A 13 21.066 -9.027 -15.579 1.00 0.00 C ATOM 218 O SER A 13 20.795 -9.296 -16.743 1.00 0.00 O ATOM 219 CB SER A 13 23.480 -9.758 -15.463 1.00 0.00 C ATOM 220 OG SER A 13 24.740 -9.421 -14.907 1.00 0.00 O ATOM 0 H SER A 13 23.123 -8.698 -13.234 1.00 0.00 H new ATOM 0 HA SER A 13 22.722 -7.779 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 13 23.098 -10.669 -15.002 1.00 0.00 H new ATOM 0 HB3 SER A 13 23.582 -9.959 -16.529 1.00 0.00 H new ATOM 0 HG SER A 13 25.368 -10.159 -15.050 1.00 0.00 H new ATOM 226 N ARG A 14 20.137 -9.093 -14.610 1.00 0.00 N ATOM 227 CA ARG A 14 18.710 -9.433 -14.845 1.00 0.00 C ATOM 228 C ARG A 14 17.740 -8.650 -13.957 1.00 0.00 C ATOM 229 O ARG A 14 17.007 -7.804 -14.447 1.00 0.00 O ATOM 230 CB ARG A 14 18.510 -10.960 -14.720 1.00 0.00 C ATOM 231 CG ARG A 14 18.733 -11.697 -16.052 1.00 0.00 C ATOM 232 CD ARG A 14 18.353 -13.175 -15.948 1.00 0.00 C ATOM 233 NE ARG A 14 19.375 -13.962 -15.215 1.00 0.00 N ATOM 234 CZ ARG A 14 19.383 -15.270 -15.052 1.00 0.00 C ATOM 235 NH1 ARG A 14 18.422 -16.033 -15.468 1.00 0.00 N ATOM 236 NH2 ARG A 14 20.382 -15.835 -14.450 1.00 0.00 N ATOM 0 H ARG A 14 20.351 -8.911 -13.629 1.00 0.00 H new ATOM 0 HA ARG A 14 18.465 -9.125 -15.862 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.199 -11.353 -13.972 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.501 -11.162 -14.362 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.141 -11.223 -16.835 1.00 0.00 H new ATOM 0 HG3 ARG A 14 19.779 -11.609 -16.346 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.392 -13.267 -15.441 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.227 -13.588 -16.949 1.00 0.00 H new ATOM 0 HE ARG A 14 20.146 -13.441 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 14 17.617 -15.626 -15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 14 18.471 -17.041 -15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.157 -15.268 -14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 14 20.394 -16.847 -14.321 1.00 0.00 H new ATOM 250 N SER A 15 17.718 -8.884 -12.652 1.00 0.00 N ATOM 251 CA SER A 15 16.706 -8.285 -11.758 1.00 0.00 C ATOM 252 C SER A 15 16.790 -6.766 -11.636 1.00 0.00 C ATOM 253 O SER A 15 15.765 -6.095 -11.653 1.00 0.00 O ATOM 254 CB SER A 15 16.702 -9.032 -10.435 1.00 0.00 C ATOM 255 OG SER A 15 16.136 -10.281 -10.742 1.00 0.00 O ATOM 0 H SER A 15 18.389 -9.487 -12.176 1.00 0.00 H new ATOM 0 HA SER A 15 15.726 -8.415 -12.217 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.711 -9.140 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.116 -8.504 -9.682 1.00 0.00 H new ATOM 0 HG SER A 15 16.809 -10.848 -11.174 1.00 0.00 H new ATOM 261 N GLN A 16 17.983 -6.188 -11.653 1.00 0.00 N ATOM 262 CA GLN A 16 18.196 -4.743 -11.770 1.00 0.00 C ATOM 263 C GLN A 16 17.818 -4.196 -13.146 1.00 0.00 C ATOM 264 O GLN A 16 17.345 -3.062 -13.237 1.00 0.00 O ATOM 265 CB GLN A 16 19.661 -4.452 -11.475 1.00 0.00 C ATOM 266 CG GLN A 16 19.888 -3.048 -10.917 1.00 0.00 C ATOM 267 CD GLN A 16 21.355 -2.862 -10.559 1.00 0.00 C ATOM 268 OE1 GLN A 16 22.248 -3.074 -11.360 1.00 0.00 O ATOM 269 NE2 GLN A 16 21.665 -2.507 -9.341 1.00 0.00 N ATOM 0 H GLN A 16 18.852 -6.718 -11.585 1.00 0.00 H new ATOM 0 HA GLN A 16 17.545 -4.243 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 16 20.035 -5.186 -10.761 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.241 -4.572 -12.390 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.587 -2.302 -11.653 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.267 -2.894 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.928 -2.326 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.644 -2.411 -9.071 1.00 0.00 H new ATOM 278 N MET A 17 17.938 -5.008 -14.209 1.00 0.00 N ATOM 279 CA MET A 17 17.394 -4.643 -15.521 1.00 0.00 C ATOM 280 C MET A 17 15.870 -4.489 -15.416 1.00 0.00 C ATOM 281 O MET A 17 15.313 -3.463 -15.802 1.00 0.00 O ATOM 282 CB MET A 17 17.804 -5.645 -16.630 1.00 0.00 C ATOM 283 CG MET A 17 19.334 -5.722 -16.779 1.00 0.00 C ATOM 284 SD MET A 17 19.966 -5.736 -18.480 1.00 0.00 S ATOM 285 CE MET A 17 19.283 -7.284 -19.120 1.00 0.00 C ATOM 0 H MET A 17 18.404 -5.915 -14.183 1.00 0.00 H new ATOM 0 HA MET A 17 17.824 -3.686 -15.819 1.00 0.00 H new ATOM 0 HB2 MET A 17 17.410 -6.633 -16.394 1.00 0.00 H new ATOM 0 HB3 MET A 17 17.359 -5.343 -17.578 1.00 0.00 H new ATOM 0 HG2 MET A 17 19.774 -4.873 -16.256 1.00 0.00 H new ATOM 0 HG3 MET A 17 19.684 -6.623 -16.275 1.00 0.00 H new ATOM 0 HE1 MET A 17 19.926 -7.665 -19.914 1.00 0.00 H new ATOM 0 HE2 MET A 17 19.227 -8.017 -18.315 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.284 -7.104 -19.517 1.00 0.00 H new ATOM 295 N ALA A 18 15.199 -5.452 -14.780 1.00 0.00 N ATOM 296 CA ALA A 18 13.765 -5.371 -14.502 1.00 0.00 C ATOM 297 C ALA A 18 13.397 -4.263 -13.511 1.00 0.00 C ATOM 298 O ALA A 18 12.346 -3.661 -13.674 1.00 0.00 O ATOM 299 CB ALA A 18 13.283 -6.742 -14.028 1.00 0.00 C ATOM 0 H ALA A 18 15.636 -6.310 -14.443 1.00 0.00 H new ATOM 0 HA ALA A 18 13.254 -5.096 -15.425 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.215 -6.699 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.469 -7.482 -14.806 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.821 -7.024 -13.123 1.00 0.00 H new ATOM 305 N GLU A 19 14.251 -3.906 -12.547 1.00 0.00 N ATOM 306 CA GLU A 19 13.967 -2.804 -11.621 1.00 0.00 C ATOM 307 C GLU A 19 14.022 -1.490 -12.367 1.00 0.00 C ATOM 308 O GLU A 19 13.120 -0.683 -12.221 1.00 0.00 O ATOM 309 CB GLU A 19 14.981 -2.780 -10.477 1.00 0.00 C ATOM 310 CG GLU A 19 14.929 -1.561 -9.547 1.00 0.00 C ATOM 311 CD GLU A 19 16.127 -1.630 -8.601 1.00 0.00 C ATOM 312 OE1 GLU A 19 16.059 -2.394 -7.610 1.00 0.00 O ATOM 313 OE2 GLU A 19 17.147 -0.978 -8.928 1.00 0.00 O ATOM 0 H GLU A 19 15.147 -4.365 -12.387 1.00 0.00 H new ATOM 0 HA GLU A 19 12.972 -2.953 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.837 -3.677 -9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.981 -2.841 -10.905 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.956 -0.639 -10.127 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.998 -1.554 -8.981 1.00 0.00 H new ATOM 320 N GLY A 20 15.045 -1.280 -13.191 1.00 0.00 N ATOM 321 CA GLY A 20 15.188 -0.042 -13.939 1.00 0.00 C ATOM 322 C GLY A 20 14.037 0.163 -14.919 1.00 0.00 C ATOM 323 O GLY A 20 13.442 1.234 -14.919 1.00 0.00 O ATOM 0 H GLY A 20 15.789 -1.958 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.230 0.799 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.132 -0.053 -14.484 1.00 0.00 H new ATOM 327 N PHE A 21 13.630 -0.879 -15.651 1.00 0.00 N ATOM 328 CA PHE A 21 12.412 -0.824 -16.471 1.00 0.00 C ATOM 329 C PHE A 21 11.148 -0.636 -15.627 1.00 0.00 C ATOM 330 O PHE A 21 10.293 0.165 -15.981 1.00 0.00 O ATOM 331 CB PHE A 21 12.308 -2.089 -17.340 1.00 0.00 C ATOM 332 CG PHE A 21 12.939 -1.967 -18.709 1.00 0.00 C ATOM 333 CD1 PHE A 21 12.361 -1.103 -19.654 1.00 0.00 C ATOM 334 CD2 PHE A 21 14.060 -2.738 -19.058 1.00 0.00 C ATOM 335 CE1 PHE A 21 12.907 -1.001 -20.943 1.00 0.00 C ATOM 336 CE2 PHE A 21 14.614 -2.629 -20.344 1.00 0.00 C ATOM 337 CZ PHE A 21 14.039 -1.761 -21.288 1.00 0.00 C ATOM 0 H PHE A 21 14.124 -1.770 -15.694 1.00 0.00 H new ATOM 0 HA PHE A 21 12.488 0.051 -17.117 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.778 -2.917 -16.810 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.255 -2.345 -17.461 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.494 -0.516 -19.388 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.496 -3.414 -18.338 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.458 -0.340 -21.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.483 -3.213 -20.608 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.466 -1.678 -22.277 1.00 0.00 H new ATOM 347 N ALA A 22 10.999 -1.332 -14.496 1.00 0.00 N ATOM 348 CA ALA A 22 9.798 -1.212 -13.661 1.00 0.00 C ATOM 349 C ALA A 22 9.708 0.179 -13.022 1.00 0.00 C ATOM 350 O ALA A 22 8.624 0.726 -12.855 1.00 0.00 O ATOM 351 CB ALA A 22 9.804 -2.356 -12.637 1.00 0.00 C ATOM 0 H ALA A 22 11.695 -1.985 -14.137 1.00 0.00 H new ATOM 0 HA ALA A 22 8.898 -1.307 -14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.918 -2.284 -12.006 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.801 -3.312 -13.160 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.698 -2.285 -12.017 1.00 0.00 H new ATOM 357 N LYS A 23 10.861 0.781 -12.733 1.00 0.00 N ATOM 358 CA LYS A 23 11.029 2.146 -12.237 1.00 0.00 C ATOM 359 C LYS A 23 10.631 3.131 -13.329 1.00 0.00 C ATOM 360 O LYS A 23 9.692 3.888 -13.132 1.00 0.00 O ATOM 361 CB LYS A 23 12.484 2.285 -11.758 1.00 0.00 C ATOM 362 CG LYS A 23 12.774 3.573 -10.993 1.00 0.00 C ATOM 363 CD LYS A 23 14.252 3.558 -10.554 1.00 0.00 C ATOM 364 CE LYS A 23 14.797 4.940 -10.165 1.00 0.00 C ATOM 365 NZ LYS A 23 14.183 5.487 -8.915 1.00 0.00 N ATOM 0 H LYS A 23 11.754 0.301 -12.845 1.00 0.00 H new ATOM 0 HA LYS A 23 10.381 2.370 -11.390 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.727 1.435 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.145 2.233 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.574 4.440 -11.622 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.121 3.653 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.363 2.882 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.858 3.154 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.877 4.873 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.619 5.637 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.592 6.420 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.155 5.581 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.374 4.841 -8.123 1.00 0.00 H new ATOM 379 N THR A 24 11.213 3.055 -14.523 1.00 0.00 N ATOM 380 CA THR A 24 10.817 3.954 -15.624 1.00 0.00 C ATOM 381 C THR A 24 9.410 3.710 -16.186 1.00 0.00 C ATOM 382 O THR A 24 8.862 4.605 -16.832 1.00 0.00 O ATOM 383 CB THR A 24 11.859 3.975 -16.737 1.00 0.00 C ATOM 384 OG1 THR A 24 12.047 2.683 -17.274 1.00 0.00 O ATOM 385 CG2 THR A 24 13.182 4.495 -16.190 1.00 0.00 C ATOM 0 H THR A 24 11.952 2.392 -14.760 1.00 0.00 H new ATOM 0 HA THR A 24 10.771 4.942 -15.166 1.00 0.00 H new ATOM 0 HB THR A 24 11.503 4.632 -17.530 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.534 2.128 -16.629 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.925 4.509 -16.987 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.044 5.505 -15.804 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.525 3.843 -15.386 1.00 0.00 H new ATOM 393 N LEU A 25 8.773 2.567 -15.879 1.00 0.00 N ATOM 394 CA LEU A 25 7.369 2.278 -16.207 1.00 0.00 C ATOM 395 C LEU A 25 6.396 2.459 -15.012 1.00 0.00 C ATOM 396 O LEU A 25 5.201 2.204 -15.164 1.00 0.00 O ATOM 397 CB LEU A 25 7.263 0.862 -16.832 1.00 0.00 C ATOM 398 CG LEU A 25 7.979 0.706 -18.192 1.00 0.00 C ATOM 399 CD1 LEU A 25 8.202 -0.773 -18.511 1.00 0.00 C ATOM 400 CD2 LEU A 25 7.159 1.323 -19.325 1.00 0.00 C ATOM 0 H LEU A 25 9.232 1.802 -15.385 1.00 0.00 H new ATOM 0 HA LEU A 25 7.048 3.020 -16.938 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.679 0.138 -16.132 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.210 0.613 -16.960 1.00 0.00 H new ATOM 0 HG LEU A 25 8.935 1.224 -18.114 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.707 -0.866 -19.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.817 -1.224 -17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.241 -1.285 -18.556 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.690 1.197 -20.269 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.190 0.827 -19.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.012 2.385 -19.131 1.00 0.00 H new ATOM 412 N GLY A 26 6.877 2.877 -13.830 1.00 0.00 N ATOM 413 CA GLY A 26 6.085 2.871 -12.585 1.00 0.00 C ATOM 414 C GLY A 26 6.530 3.816 -11.460 1.00 0.00 C ATOM 415 O GLY A 26 6.008 3.713 -10.349 1.00 0.00 O ATOM 0 H GLY A 26 7.826 3.229 -13.708 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.054 3.114 -12.841 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.085 1.855 -12.191 1.00 0.00 H new ATOM 419 N ALA A 27 7.466 4.738 -11.700 1.00 0.00 N ATOM 420 CA ALA A 27 7.956 5.684 -10.694 1.00 0.00 C ATOM 421 C ALA A 27 6.817 6.558 -10.130 1.00 0.00 C ATOM 422 O ALA A 27 6.006 7.111 -10.875 1.00 0.00 O ATOM 423 CB ALA A 27 9.073 6.540 -11.311 1.00 0.00 C ATOM 0 H ALA A 27 7.911 4.850 -12.611 1.00 0.00 H new ATOM 0 HA ALA A 27 8.360 5.125 -9.850 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.443 7.247 -10.568 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.889 5.894 -11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.681 7.087 -12.168 1.00 0.00 H new ATOM 429 N GLY A 28 6.744 6.660 -8.797 1.00 0.00 N ATOM 430 CA GLY A 28 5.680 7.373 -8.073 1.00 0.00 C ATOM 431 C GLY A 28 4.340 6.625 -7.961 1.00 0.00 C ATOM 432 O GLY A 28 3.432 7.123 -7.290 1.00 0.00 O ATOM 0 H GLY A 28 7.437 6.241 -8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.036 7.598 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.503 8.327 -8.569 1.00 0.00 H new ATOM 436 N LYS A 29 4.202 5.432 -8.573 1.00 0.00 N ATOM 437 CA LYS A 29 2.996 4.580 -8.472 1.00 0.00 C ATOM 438 C LYS A 29 3.089 3.672 -7.248 1.00 0.00 C ATOM 439 O LYS A 29 2.313 3.794 -6.302 1.00 0.00 O ATOM 440 CB LYS A 29 2.779 3.763 -9.771 1.00 0.00 C ATOM 441 CG LYS A 29 2.822 4.592 -11.065 1.00 0.00 C ATOM 442 CD LYS A 29 1.881 5.805 -11.063 1.00 0.00 C ATOM 443 CE LYS A 29 0.400 5.441 -10.876 1.00 0.00 C ATOM 444 NZ LYS A 29 -0.178 4.777 -12.075 1.00 0.00 N ATOM 0 H LYS A 29 4.932 5.027 -9.159 1.00 0.00 H new ATOM 0 HA LYS A 29 2.126 5.226 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.542 2.986 -9.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.815 3.259 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.843 4.938 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.565 3.947 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.182 6.485 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.997 6.345 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.297 4.782 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.168 6.345 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.064 4.299 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.372 5.490 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.497 4.077 -12.444 1.00 0.00 H new ATOM 458 N ILE A 30 4.095 2.798 -7.287 1.00 0.00 N ATOM 459 CA ILE A 30 4.502 1.849 -6.230 1.00 0.00 C ATOM 460 C ILE A 30 6.041 1.739 -6.176 1.00 0.00 C ATOM 461 O ILE A 30 6.731 2.291 -7.034 1.00 0.00 O ATOM 462 CB ILE A 30 3.795 0.474 -6.404 1.00 0.00 C ATOM 463 CG1 ILE A 30 4.029 -0.248 -7.753 1.00 0.00 C ATOM 464 CG2 ILE A 30 2.271 0.620 -6.237 1.00 0.00 C ATOM 465 CD1 ILE A 30 5.425 -0.840 -7.953 1.00 0.00 C ATOM 0 H ILE A 30 4.693 2.723 -8.110 1.00 0.00 H new ATOM 0 HA ILE A 30 4.176 2.231 -5.263 1.00 0.00 H new ATOM 0 HB ILE A 30 4.253 -0.137 -5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.297 -1.050 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.834 0.458 -8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.796 -0.353 -6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.049 1.006 -5.242 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.887 1.310 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.480 -1.322 -8.929 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.169 -0.045 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.623 -1.576 -7.174 1.00 0.00 H new ATOM 477 N ALA A 31 6.599 1.017 -5.194 1.00 0.00 N ATOM 478 CA ALA A 31 8.044 0.796 -5.105 1.00 0.00 C ATOM 479 C ALA A 31 8.452 -0.489 -5.814 1.00 0.00 C ATOM 480 O ALA A 31 8.016 -1.586 -5.456 1.00 0.00 O ATOM 481 CB ALA A 31 8.521 0.744 -3.657 1.00 0.00 C ATOM 0 H ALA A 31 6.064 0.574 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 31 8.518 1.644 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.598 0.579 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.288 1.687 -3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.018 -0.071 -3.137 1.00 0.00 H new ATOM 487 N VAL A 32 9.324 -0.348 -6.803 1.00 0.00 N ATOM 488 CA VAL A 32 9.990 -1.469 -7.445 1.00 0.00 C ATOM 489 C VAL A 32 11.359 -1.753 -6.817 1.00 0.00 C ATOM 490 O VAL A 32 12.051 -0.842 -6.361 1.00 0.00 O ATOM 491 CB VAL A 32 10.095 -1.222 -8.945 1.00 0.00 C ATOM 492 CG1 VAL A 32 8.730 -0.868 -9.545 1.00 0.00 C ATOM 493 CG2 VAL A 32 11.112 -0.157 -9.365 1.00 0.00 C ATOM 0 H VAL A 32 9.591 0.559 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 32 9.388 -2.363 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 32 10.461 -2.170 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.837 -0.697 -10.616 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.034 -1.690 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.347 0.035 -9.070 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.108 -0.059 -10.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.846 0.799 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 32 12.107 -0.452 -9.031 1.00 0.00 H new ATOM 503 N THR A 33 11.754 -3.026 -6.814 1.00 0.00 N ATOM 504 CA THR A 33 12.960 -3.506 -6.122 1.00 0.00 C ATOM 505 C THR A 33 13.570 -4.689 -6.860 1.00 0.00 C ATOM 506 O THR A 33 12.883 -5.386 -7.606 1.00 0.00 O ATOM 507 CB THR A 33 12.663 -3.914 -4.663 1.00 0.00 C ATOM 508 OG1 THR A 33 11.512 -3.270 -4.151 1.00 0.00 O ATOM 509 CG2 THR A 33 13.821 -3.545 -3.737 1.00 0.00 C ATOM 0 H THR A 33 11.243 -3.765 -7.296 1.00 0.00 H new ATOM 0 HA THR A 33 13.668 -2.678 -6.110 1.00 0.00 H new ATOM 0 HB THR A 33 12.510 -4.993 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.711 -3.655 -4.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.581 -3.845 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.726 -4.058 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.984 -2.468 -3.769 1.00 0.00 H new ATOM 517 N SER A 34 14.854 -4.943 -6.648 1.00 0.00 N ATOM 518 CA SER A 34 15.569 -6.091 -7.209 1.00 0.00 C ATOM 519 C SER A 34 16.644 -6.667 -6.277 1.00 0.00 C ATOM 520 O SER A 34 17.280 -5.946 -5.500 1.00 0.00 O ATOM 521 CB SER A 34 16.160 -5.712 -8.555 1.00 0.00 C ATOM 522 OG SER A 34 17.135 -4.679 -8.470 1.00 0.00 O ATOM 0 H SER A 34 15.444 -4.346 -6.069 1.00 0.00 H new ATOM 0 HA SER A 34 14.839 -6.890 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.614 -6.594 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.358 -5.391 -9.219 1.00 0.00 H new ATOM 0 HG SER A 34 16.812 -3.972 -7.873 1.00 0.00 H new ATOM 528 N SER A 35 16.829 -7.984 -6.342 1.00 0.00 N ATOM 529 CA SER A 35 17.766 -8.757 -5.522 1.00 0.00 C ATOM 530 C SER A 35 18.254 -9.993 -6.279 1.00 0.00 C ATOM 531 O SER A 35 17.901 -10.216 -7.441 1.00 0.00 O ATOM 532 CB SER A 35 17.103 -9.143 -4.190 1.00 0.00 C ATOM 533 OG SER A 35 16.085 -10.109 -4.384 1.00 0.00 O ATOM 0 H SER A 35 16.308 -8.569 -6.995 1.00 0.00 H new ATOM 0 HA SER A 35 18.638 -8.140 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.856 -9.537 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.680 -8.255 -3.721 1.00 0.00 H new ATOM 0 HG SER A 35 15.231 -9.656 -4.548 1.00 0.00 H new ATOM 539 N GLY A 36 19.102 -10.815 -5.658 1.00 0.00 N ATOM 540 CA GLY A 36 19.430 -12.106 -6.265 1.00 0.00 C ATOM 541 C GLY A 36 20.358 -13.017 -5.466 1.00 0.00 C ATOM 542 O GLY A 36 20.696 -12.720 -4.325 1.00 0.00 O ATOM 0 H GLY A 36 19.560 -10.621 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.499 -12.643 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.888 -11.920 -7.237 1.00 0.00 H new ATOM 546 N LEU A 37 20.760 -14.147 -6.058 1.00 0.00 N ATOM 547 CA LEU A 37 21.529 -15.197 -5.361 1.00 0.00 C ATOM 548 C LEU A 37 22.981 -14.752 -5.076 1.00 0.00 C ATOM 549 O LEU A 37 23.468 -14.865 -3.953 1.00 0.00 O ATOM 550 CB LEU A 37 21.503 -16.525 -6.154 1.00 0.00 C ATOM 551 CG LEU A 37 20.135 -17.029 -6.662 1.00 0.00 C ATOM 552 CD1 LEU A 37 20.299 -18.385 -7.346 1.00 0.00 C ATOM 553 CD2 LEU A 37 19.101 -17.172 -5.548 1.00 0.00 C ATOM 0 H LEU A 37 20.564 -14.364 -7.035 1.00 0.00 H new ATOM 0 HA LEU A 37 21.046 -15.366 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.161 -16.414 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 37 21.933 -17.302 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 37 19.772 -16.277 -7.363 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.329 -18.733 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.981 -18.286 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 20.704 -19.105 -6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.161 -17.530 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 19.462 -17.885 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.941 -16.204 -5.073 1.00 0.00 H new ATOM 565 N GLU A 38 23.648 -14.200 -6.096 1.00 0.00 N ATOM 566 CA GLU A 38 24.958 -13.520 -6.018 1.00 0.00 C ATOM 567 C GLU A 38 24.793 -12.007 -5.816 1.00 0.00 C ATOM 568 O GLU A 38 25.607 -11.385 -5.136 1.00 0.00 O ATOM 569 CB GLU A 38 25.752 -13.866 -7.296 1.00 0.00 C ATOM 570 CG GLU A 38 27.206 -13.377 -7.271 1.00 0.00 C ATOM 571 CD GLU A 38 28.023 -14.009 -8.417 1.00 0.00 C ATOM 572 OE1 GLU A 38 27.844 -13.616 -9.596 1.00 0.00 O ATOM 573 OE2 GLU A 38 28.859 -14.908 -8.146 1.00 0.00 O ATOM 0 H GLU A 38 23.276 -14.213 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 38 25.515 -13.870 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.744 -14.947 -7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.246 -13.429 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.229 -12.291 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.661 -13.629 -6.313 1.00 0.00 H new ATOM 580 N SER A 39 23.724 -11.420 -6.380 1.00 0.00 N ATOM 581 CA SER A 39 23.428 -9.976 -6.493 1.00 0.00 C ATOM 582 C SER A 39 24.459 -9.167 -7.297 1.00 0.00 C ATOM 583 O SER A 39 24.101 -8.590 -8.321 1.00 0.00 O ATOM 584 CB SER A 39 23.022 -9.344 -5.152 1.00 0.00 C ATOM 585 OG SER A 39 24.117 -9.076 -4.297 1.00 0.00 O ATOM 0 H SER A 39 22.986 -11.983 -6.802 1.00 0.00 H new ATOM 0 HA SER A 39 22.537 -9.918 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.487 -8.414 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.328 -10.011 -4.641 1.00 0.00 H new ATOM 0 HG SER A 39 24.811 -9.754 -4.432 1.00 0.00 H new ATOM 591 N SER A 40 25.734 -9.264 -6.935 1.00 0.00 N ATOM 592 CA SER A 40 26.906 -8.694 -7.617 1.00 0.00 C ATOM 593 C SER A 40 26.904 -7.149 -7.746 1.00 0.00 C ATOM 594 O SER A 40 25.999 -6.453 -7.273 1.00 0.00 O ATOM 595 CB SER A 40 27.109 -9.398 -8.972 1.00 0.00 C ATOM 596 OG SER A 40 28.441 -9.204 -9.424 1.00 0.00 O ATOM 0 H SER A 40 26.002 -9.780 -6.097 1.00 0.00 H new ATOM 0 HA SER A 40 27.764 -8.890 -6.974 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.901 -10.463 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 40 26.406 -9.003 -9.705 1.00 0.00 H new ATOM 0 HG SER A 40 28.563 -9.656 -10.285 1.00 0.00 H new ATOM 602 N ARG A 41 27.948 -6.602 -8.385 1.00 0.00 N ATOM 603 CA ARG A 41 28.103 -5.178 -8.763 1.00 0.00 C ATOM 604 C ARG A 41 27.173 -4.775 -9.912 1.00 0.00 C ATOM 605 O ARG A 41 26.694 -5.638 -10.638 1.00 0.00 O ATOM 606 CB ARG A 41 29.574 -4.914 -9.164 1.00 0.00 C ATOM 607 CG ARG A 41 29.958 -5.541 -10.524 1.00 0.00 C ATOM 608 CD ARG A 41 31.433 -5.288 -10.856 1.00 0.00 C ATOM 609 NE ARG A 41 31.828 -5.956 -12.116 1.00 0.00 N ATOM 610 CZ ARG A 41 32.891 -5.693 -12.859 1.00 0.00 C ATOM 611 NH1 ARG A 41 33.738 -4.751 -12.555 1.00 0.00 N ATOM 612 NH2 ARG A 41 33.121 -6.384 -13.940 1.00 0.00 N ATOM 0 H ARG A 41 28.751 -7.163 -8.669 1.00 0.00 H new ATOM 0 HA ARG A 41 27.829 -4.573 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 41 29.744 -3.838 -9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 41 30.231 -5.311 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 41 29.767 -6.614 -10.499 1.00 0.00 H new ATOM 0 HG3 ARG A 41 29.329 -5.123 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 41 31.609 -4.216 -10.941 1.00 0.00 H new ATOM 0 HD3 ARG A 41 32.058 -5.650 -10.040 1.00 0.00 H new ATOM 0 HE ARG A 41 31.214 -6.700 -12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 41 33.593 -4.186 -11.718 1.00 0.00 H new ATOM 0 HH12 ARG A 41 34.546 -4.579 -13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 41 32.481 -7.129 -14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 41 33.941 -6.180 -14.511 1.00 0.00 H new ATOM 626 N VAL A 42 27.006 -3.475 -10.162 1.00 0.00 N ATOM 627 CA VAL A 42 26.335 -2.951 -11.367 1.00 0.00 C ATOM 628 C VAL A 42 27.159 -3.389 -12.599 1.00 0.00 C ATOM 629 O VAL A 42 28.341 -3.073 -12.710 1.00 0.00 O ATOM 630 CB VAL A 42 26.118 -1.425 -11.243 1.00 0.00 C ATOM 631 CG1 VAL A 42 25.059 -1.150 -10.170 1.00 0.00 C ATOM 632 CG2 VAL A 42 27.367 -0.622 -10.841 1.00 0.00 C ATOM 0 H VAL A 42 27.334 -2.744 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 42 25.333 -3.363 -11.485 1.00 0.00 H new ATOM 0 HB VAL A 42 25.822 -1.102 -12.241 1.00 0.00 H new ATOM 0 HG11 VAL A 42 24.903 -0.075 -10.080 1.00 0.00 H new ATOM 0 HG12 VAL A 42 24.122 -1.630 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 42 25.398 -1.549 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 42 27.115 0.437 -10.780 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.724 -0.966 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.148 -0.767 -11.587 1.00 0.00 H new ATOM 642 N HIS A 43 26.563 -4.187 -13.493 1.00 0.00 N ATOM 643 CA HIS A 43 27.274 -4.880 -14.585 1.00 0.00 C ATOM 644 C HIS A 43 27.646 -3.949 -15.750 1.00 0.00 C ATOM 645 O HIS A 43 26.770 -3.224 -16.216 1.00 0.00 O ATOM 646 CB HIS A 43 26.427 -6.081 -15.051 1.00 0.00 C ATOM 647 CG HIS A 43 27.098 -6.929 -16.091 1.00 0.00 C ATOM 648 ND1 HIS A 43 27.281 -6.581 -17.433 1.00 0.00 N ATOM 649 CD2 HIS A 43 27.703 -8.124 -15.849 1.00 0.00 C ATOM 650 CE1 HIS A 43 27.992 -7.594 -17.966 1.00 0.00 C ATOM 651 NE2 HIS A 43 28.260 -8.525 -17.039 1.00 0.00 N ATOM 0 H HIS A 43 25.561 -4.375 -13.482 1.00 0.00 H new ATOM 0 HA HIS A 43 28.228 -5.238 -14.198 1.00 0.00 H new ATOM 0 HB2 HIS A 43 26.189 -6.702 -14.188 1.00 0.00 H new ATOM 0 HB3 HIS A 43 25.482 -5.714 -15.450 1.00 0.00 H new ATOM 0 HD2 HIS A 43 27.738 -8.652 -14.908 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.303 -7.649 -18.999 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.788 -9.385 -17.191 1.00 0.00 H new ATOM 659 N PRO A 44 28.893 -3.966 -16.267 1.00 0.00 N ATOM 660 CA PRO A 44 29.379 -2.982 -17.243 1.00 0.00 C ATOM 661 C PRO A 44 28.545 -2.912 -18.529 1.00 0.00 C ATOM 662 O PRO A 44 28.228 -1.819 -19.004 1.00 0.00 O ATOM 663 CB PRO A 44 30.832 -3.386 -17.538 1.00 0.00 C ATOM 664 CG PRO A 44 30.888 -4.865 -17.157 1.00 0.00 C ATOM 665 CD PRO A 44 29.959 -4.907 -15.951 1.00 0.00 C ATOM 0 HA PRO A 44 29.298 -1.977 -16.829 1.00 0.00 H new ATOM 0 HB2 PRO A 44 31.083 -3.234 -18.588 1.00 0.00 H new ATOM 0 HB3 PRO A 44 31.537 -2.796 -16.953 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.540 -5.509 -17.964 1.00 0.00 H new ATOM 0 HG3 PRO A 44 31.899 -5.185 -16.906 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.565 -5.911 -15.790 1.00 0.00 H new ATOM 0 HD3 PRO A 44 30.482 -4.620 -15.039 1.00 0.00 H new ATOM 673 N THR A 45 28.132 -4.062 -19.071 1.00 0.00 N ATOM 674 CA THR A 45 27.329 -4.117 -20.304 1.00 0.00 C ATOM 675 C THR A 45 25.873 -3.772 -20.019 1.00 0.00 C ATOM 676 O THR A 45 25.254 -3.061 -20.807 1.00 0.00 O ATOM 677 CB THR A 45 27.476 -5.473 -21.014 1.00 0.00 C ATOM 678 OG1 THR A 45 28.850 -5.771 -21.176 1.00 0.00 O ATOM 679 CG2 THR A 45 26.845 -5.470 -22.410 1.00 0.00 C ATOM 0 H THR A 45 28.341 -4.977 -18.673 1.00 0.00 H new ATOM 0 HA THR A 45 27.713 -3.363 -20.991 1.00 0.00 H new ATOM 0 HB THR A 45 26.967 -6.212 -20.395 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.946 -6.636 -21.627 1.00 0.00 H new ATOM 0 HG21 THR A 45 26.975 -6.450 -22.870 1.00 0.00 H new ATOM 0 HG22 THR A 45 25.781 -5.246 -22.328 1.00 0.00 H new ATOM 0 HG23 THR A 45 27.329 -4.712 -23.026 1.00 0.00 H new ATOM 687 N ALA A 46 25.333 -4.162 -18.859 1.00 0.00 N ATOM 688 CA ALA A 46 23.987 -3.741 -18.459 1.00 0.00 C ATOM 689 C ALA A 46 23.902 -2.223 -18.239 1.00 0.00 C ATOM 690 O ALA A 46 22.970 -1.613 -18.749 1.00 0.00 O ATOM 691 CB ALA A 46 23.536 -4.530 -17.227 1.00 0.00 C ATOM 0 H ALA A 46 25.805 -4.765 -18.185 1.00 0.00 H new ATOM 0 HA ALA A 46 23.300 -3.965 -19.275 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.535 -4.211 -16.937 1.00 0.00 H new ATOM 0 HB2 ALA A 46 23.524 -5.594 -17.461 1.00 0.00 H new ATOM 0 HB3 ALA A 46 24.228 -4.347 -16.405 1.00 0.00 H new ATOM 697 N ILE A 47 24.877 -1.578 -17.581 1.00 0.00 N ATOM 698 CA ILE A 47 24.907 -0.107 -17.446 1.00 0.00 C ATOM 699 C ILE A 47 24.814 0.543 -18.835 1.00 0.00 C ATOM 700 O ILE A 47 23.965 1.407 -19.027 1.00 0.00 O ATOM 701 CB ILE A 47 26.145 0.387 -16.655 1.00 0.00 C ATOM 702 CG1 ILE A 47 26.248 -0.195 -15.224 1.00 0.00 C ATOM 703 CG2 ILE A 47 26.099 1.919 -16.497 1.00 0.00 C ATOM 704 CD1 ILE A 47 27.676 -0.148 -14.677 1.00 0.00 C ATOM 0 H ILE A 47 25.660 -2.051 -17.131 1.00 0.00 H new ATOM 0 HA ILE A 47 24.040 0.199 -16.860 1.00 0.00 H new ATOM 0 HB ILE A 47 27.003 0.050 -17.236 1.00 0.00 H new ATOM 0 HG12 ILE A 47 25.589 0.363 -14.559 1.00 0.00 H new ATOM 0 HG13 ILE A 47 25.897 -1.227 -15.228 1.00 0.00 H new ATOM 0 HG21 ILE A 47 26.974 2.254 -15.940 1.00 0.00 H new ATOM 0 HG22 ILE A 47 26.095 2.386 -17.482 1.00 0.00 H new ATOM 0 HG23 ILE A 47 25.195 2.202 -15.958 1.00 0.00 H new ATOM 0 HD11 ILE A 47 27.694 -0.568 -13.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 28.333 -0.729 -15.324 1.00 0.00 H new ATOM 0 HD13 ILE A 47 28.020 0.886 -14.645 1.00 0.00 H new ATOM 716 N ALA A 48 25.590 0.072 -19.819 1.00 0.00 N ATOM 717 CA ALA A 48 25.545 0.583 -21.194 1.00 0.00 C ATOM 718 C ALA A 48 24.179 0.397 -21.870 1.00 0.00 C ATOM 719 O ALA A 48 23.539 1.366 -22.277 1.00 0.00 O ATOM 720 CB ALA A 48 26.647 -0.098 -22.016 1.00 0.00 C ATOM 0 H ALA A 48 26.269 -0.677 -19.683 1.00 0.00 H new ATOM 0 HA ALA A 48 25.711 1.659 -21.148 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.621 0.276 -23.040 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.619 0.122 -21.574 1.00 0.00 H new ATOM 0 HB3 ALA A 48 26.485 -1.176 -22.019 1.00 0.00 H new ATOM 726 N MET A 49 23.715 -0.851 -22.003 1.00 0.00 N ATOM 727 CA MET A 49 22.499 -1.162 -22.770 1.00 0.00 C ATOM 728 C MET A 49 21.239 -0.587 -22.113 1.00 0.00 C ATOM 729 O MET A 49 20.276 -0.274 -22.812 1.00 0.00 O ATOM 730 CB MET A 49 22.347 -2.680 -22.953 1.00 0.00 C ATOM 731 CG MET A 49 23.521 -3.391 -23.640 1.00 0.00 C ATOM 732 SD MET A 49 23.965 -2.802 -25.293 1.00 0.00 S ATOM 733 CE MET A 49 25.262 -1.589 -24.927 1.00 0.00 C ATOM 0 H MET A 49 24.165 -1.667 -21.588 1.00 0.00 H new ATOM 0 HA MET A 49 22.610 -0.690 -23.746 1.00 0.00 H new ATOM 0 HB2 MET A 49 22.197 -3.132 -21.973 1.00 0.00 H new ATOM 0 HB3 MET A 49 21.443 -2.868 -23.533 1.00 0.00 H new ATOM 0 HG2 MET A 49 24.398 -3.300 -22.998 1.00 0.00 H new ATOM 0 HG3 MET A 49 23.284 -4.453 -23.708 1.00 0.00 H new ATOM 0 HE1 MET A 49 25.709 -1.242 -25.859 1.00 0.00 H new ATOM 0 HE2 MET A 49 24.829 -0.742 -24.395 1.00 0.00 H new ATOM 0 HE3 MET A 49 26.029 -2.053 -24.307 1.00 0.00 H new ATOM 743 N MET A 50 21.227 -0.455 -20.788 1.00 0.00 N ATOM 744 CA MET A 50 20.103 0.114 -20.038 1.00 0.00 C ATOM 745 C MET A 50 20.146 1.651 -20.093 1.00 0.00 C ATOM 746 O MET A 50 19.123 2.275 -20.359 1.00 0.00 O ATOM 747 CB MET A 50 20.105 -0.468 -18.613 1.00 0.00 C ATOM 748 CG MET A 50 20.012 -2.004 -18.593 1.00 0.00 C ATOM 749 SD MET A 50 18.399 -2.699 -19.041 1.00 0.00 S ATOM 750 CE MET A 50 17.361 -1.933 -17.777 1.00 0.00 C ATOM 0 H MET A 50 22.006 -0.743 -20.196 1.00 0.00 H new ATOM 0 HA MET A 50 19.151 -0.164 -20.491 1.00 0.00 H new ATOM 0 HB2 MET A 50 21.016 -0.158 -18.101 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.267 -0.051 -18.055 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.762 -2.404 -19.276 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.272 -2.353 -17.594 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.515 -2.584 -17.558 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.946 -1.780 -16.870 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.996 -0.972 -18.140 1.00 0.00 H new ATOM 760 N GLU A 51 21.323 2.282 -19.995 1.00 0.00 N ATOM 761 CA GLU A 51 21.498 3.729 -20.224 1.00 0.00 C ATOM 762 C GLU A 51 21.047 4.157 -21.634 1.00 0.00 C ATOM 763 O GLU A 51 20.410 5.201 -21.775 1.00 0.00 O ATOM 764 CB GLU A 51 22.966 4.107 -19.964 1.00 0.00 C ATOM 765 CG GLU A 51 23.308 5.560 -20.298 1.00 0.00 C ATOM 766 CD GLU A 51 24.724 5.924 -19.806 1.00 0.00 C ATOM 767 OE1 GLU A 51 25.720 5.576 -20.487 1.00 0.00 O ATOM 768 OE2 GLU A 51 24.850 6.585 -18.746 1.00 0.00 O ATOM 0 H GLU A 51 22.190 1.802 -19.753 1.00 0.00 H new ATOM 0 HA GLU A 51 20.857 4.269 -19.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.196 3.923 -18.915 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.608 3.450 -20.551 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.243 5.714 -21.375 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.577 6.224 -19.837 1.00 0.00 H new ATOM 775 N GLU A 52 21.285 3.332 -22.662 1.00 0.00 N ATOM 776 CA GLU A 52 20.814 3.587 -24.038 1.00 0.00 C ATOM 777 C GLU A 52 19.279 3.702 -24.160 1.00 0.00 C ATOM 778 O GLU A 52 18.793 4.354 -25.089 1.00 0.00 O ATOM 779 CB GLU A 52 21.323 2.479 -24.977 1.00 0.00 C ATOM 780 CG GLU A 52 22.803 2.617 -25.350 1.00 0.00 C ATOM 781 CD GLU A 52 23.026 3.744 -26.378 1.00 0.00 C ATOM 782 OE1 GLU A 52 22.903 3.487 -27.599 1.00 0.00 O ATOM 783 OE2 GLU A 52 23.332 4.893 -25.978 1.00 0.00 O ATOM 0 H GLU A 52 21.812 2.464 -22.567 1.00 0.00 H new ATOM 0 HA GLU A 52 21.222 4.556 -24.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.167 1.511 -24.500 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.726 2.485 -25.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 23.387 2.821 -24.453 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.165 1.674 -25.759 1.00 0.00 H new ATOM 790 N VAL A 53 18.511 3.114 -23.228 1.00 0.00 N ATOM 791 CA VAL A 53 17.036 3.263 -23.130 1.00 0.00 C ATOM 792 C VAL A 53 16.573 4.180 -21.981 1.00 0.00 C ATOM 793 O VAL A 53 15.396 4.179 -21.618 1.00 0.00 O ATOM 794 CB VAL A 53 16.310 1.900 -23.145 1.00 0.00 C ATOM 795 CG1 VAL A 53 16.450 1.241 -24.521 1.00 0.00 C ATOM 796 CG2 VAL A 53 16.837 0.929 -22.081 1.00 0.00 C ATOM 0 H VAL A 53 18.898 2.509 -22.504 1.00 0.00 H new ATOM 0 HA VAL A 53 16.735 3.788 -24.037 1.00 0.00 H new ATOM 0 HB VAL A 53 15.264 2.109 -22.920 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.934 0.281 -24.519 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.010 1.887 -25.280 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.505 1.085 -24.744 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.288 -0.010 -22.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.897 0.741 -22.253 1.00 0.00 H new ATOM 0 HG23 VAL A 53 16.702 1.365 -21.091 1.00 0.00 H new ATOM 806 N GLY A 54 17.474 4.991 -21.411 1.00 0.00 N ATOM 807 CA GLY A 54 17.166 5.956 -20.339 1.00 0.00 C ATOM 808 C GLY A 54 17.233 5.387 -18.913 1.00 0.00 C ATOM 809 O GLY A 54 16.732 6.013 -17.978 1.00 0.00 O ATOM 0 H GLY A 54 18.457 4.997 -21.685 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.861 6.792 -20.413 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.166 6.356 -20.508 1.00 0.00 H new ATOM 813 N ILE A 55 17.818 4.197 -18.741 1.00 0.00 N ATOM 814 CA ILE A 55 17.801 3.395 -17.509 1.00 0.00 C ATOM 815 C ILE A 55 19.241 3.160 -17.027 1.00 0.00 C ATOM 816 O ILE A 55 19.766 2.055 -17.083 1.00 0.00 O ATOM 817 CB ILE A 55 17.004 2.083 -17.739 1.00 0.00 C ATOM 818 CG1 ILE A 55 15.621 2.330 -18.389 1.00 0.00 C ATOM 819 CG2 ILE A 55 16.809 1.356 -16.398 1.00 0.00 C ATOM 820 CD1 ILE A 55 14.850 1.060 -18.766 1.00 0.00 C ATOM 0 H ILE A 55 18.341 3.744 -19.491 1.00 0.00 H new ATOM 0 HA ILE A 55 17.285 3.931 -16.712 1.00 0.00 H new ATOM 0 HB ILE A 55 17.586 1.472 -18.429 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.012 2.917 -17.701 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.760 2.933 -19.286 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.249 0.435 -16.561 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.782 1.118 -15.968 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.257 1.999 -15.712 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.895 1.334 -19.214 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.433 0.479 -19.481 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.673 0.463 -17.872 1.00 0.00 H new ATOM 832 N ASP A 56 19.924 4.203 -16.565 1.00 0.00 N ATOM 833 CA ASP A 56 21.258 4.046 -15.973 1.00 0.00 C ATOM 834 C ASP A 56 21.182 3.221 -14.667 1.00 0.00 C ATOM 835 O ASP A 56 20.769 3.733 -13.624 1.00 0.00 O ATOM 836 CB ASP A 56 21.867 5.438 -15.751 1.00 0.00 C ATOM 837 CG ASP A 56 23.195 5.408 -14.974 1.00 0.00 C ATOM 838 OD1 ASP A 56 23.826 4.328 -14.861 1.00 0.00 O ATOM 839 OD2 ASP A 56 23.603 6.469 -14.447 1.00 0.00 O ATOM 0 H ASP A 56 19.582 5.164 -16.587 1.00 0.00 H new ATOM 0 HA ASP A 56 21.907 3.491 -16.650 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.031 5.913 -16.718 1.00 0.00 H new ATOM 0 HB3 ASP A 56 21.152 6.057 -15.209 1.00 0.00 H new ATOM 844 N ILE A 57 21.612 1.946 -14.703 1.00 0.00 N ATOM 845 CA ILE A 57 21.591 1.064 -13.526 1.00 0.00 C ATOM 846 C ILE A 57 22.786 1.292 -12.590 1.00 0.00 C ATOM 847 O ILE A 57 22.890 0.620 -11.569 1.00 0.00 O ATOM 848 CB ILE A 57 21.462 -0.435 -13.891 1.00 0.00 C ATOM 849 CG1 ILE A 57 22.643 -0.946 -14.748 1.00 0.00 C ATOM 850 CG2 ILE A 57 20.125 -0.752 -14.579 1.00 0.00 C ATOM 851 CD1 ILE A 57 23.151 -2.323 -14.308 1.00 0.00 C ATOM 0 H ILE A 57 21.981 1.502 -15.544 1.00 0.00 H new ATOM 0 HA ILE A 57 20.688 1.344 -12.984 1.00 0.00 H new ATOM 0 HB ILE A 57 21.490 -0.970 -12.942 1.00 0.00 H new ATOM 0 HG12 ILE A 57 22.332 -0.996 -15.792 1.00 0.00 H new ATOM 0 HG13 ILE A 57 23.462 -0.228 -14.693 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.081 -1.815 -14.816 1.00 0.00 H new ATOM 0 HG22 ILE A 57 19.302 -0.494 -13.912 1.00 0.00 H new ATOM 0 HG23 ILE A 57 20.042 -0.172 -15.498 1.00 0.00 H new ATOM 0 HD11 ILE A 57 23.980 -2.627 -14.948 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.491 -2.272 -13.274 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.344 -3.051 -14.389 1.00 0.00 H new ATOM 863 N SER A 58 23.708 2.209 -12.892 1.00 0.00 N ATOM 864 CA SER A 58 24.946 2.336 -12.114 1.00 0.00 C ATOM 865 C SER A 58 24.745 2.929 -10.708 1.00 0.00 C ATOM 866 O SER A 58 25.478 2.583 -9.780 1.00 0.00 O ATOM 867 CB SER A 58 26.001 3.102 -12.893 1.00 0.00 C ATOM 868 OG SER A 58 25.670 4.459 -13.068 1.00 0.00 O ATOM 0 H SER A 58 23.624 2.871 -13.664 1.00 0.00 H new ATOM 0 HA SER A 58 25.300 1.318 -11.950 1.00 0.00 H new ATOM 0 HB2 SER A 58 26.955 3.030 -12.372 1.00 0.00 H new ATOM 0 HB3 SER A 58 26.135 2.636 -13.869 1.00 0.00 H new ATOM 0 HG SER A 58 25.235 4.580 -13.938 1.00 0.00 H new ATOM 874 N GLY A 59 23.713 3.768 -10.532 1.00 0.00 N ATOM 875 CA GLY A 59 23.251 4.289 -9.235 1.00 0.00 C ATOM 876 C GLY A 59 22.128 3.464 -8.581 1.00 0.00 C ATOM 877 O GLY A 59 21.608 3.858 -7.536 1.00 0.00 O ATOM 0 H GLY A 59 23.158 4.115 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 24.099 4.331 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 59 22.901 5.312 -9.372 1.00 0.00 H new ATOM 881 N GLN A 60 21.721 2.344 -9.196 1.00 0.00 N ATOM 882 CA GLN A 60 20.636 1.464 -8.736 1.00 0.00 C ATOM 883 C GLN A 60 21.130 0.410 -7.722 1.00 0.00 C ATOM 884 O GLN A 60 22.323 0.112 -7.641 1.00 0.00 O ATOM 885 CB GLN A 60 19.944 0.849 -9.972 1.00 0.00 C ATOM 886 CG GLN A 60 18.677 1.637 -10.359 1.00 0.00 C ATOM 887 CD GLN A 60 18.017 1.112 -11.627 1.00 0.00 C ATOM 888 OE1 GLN A 60 17.313 0.009 -11.553 1.00 0.00 O flip ATOM 889 NE2 GLN A 60 18.095 1.682 -12.703 1.00 0.00 N flip ATOM 0 H GLN A 60 22.154 2.014 -10.059 1.00 0.00 H new ATOM 0 HA GLN A 60 19.899 2.048 -8.184 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.639 0.839 -10.812 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.680 -0.188 -9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.962 1.592 -9.538 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.936 2.687 -10.498 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.637 2.542 -12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.618 1.298 -13.519 1.00 0.00 H new ATOM 898 N THR A 61 20.213 -0.150 -6.924 1.00 0.00 N ATOM 899 CA THR A 61 20.552 -1.016 -5.773 1.00 0.00 C ATOM 900 C THR A 61 20.707 -2.490 -6.140 1.00 0.00 C ATOM 901 O THR A 61 20.090 -2.968 -7.095 1.00 0.00 O ATOM 902 CB THR A 61 19.542 -0.851 -4.625 1.00 0.00 C ATOM 903 OG1 THR A 61 20.064 -1.452 -3.460 1.00 0.00 O ATOM 904 CG2 THR A 61 18.157 -1.445 -4.894 1.00 0.00 C ATOM 0 H THR A 61 19.210 -0.019 -7.053 1.00 0.00 H new ATOM 0 HA THR A 61 21.530 -0.676 -5.434 1.00 0.00 H new ATOM 0 HB THR A 61 19.400 0.224 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.425 -1.348 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 61 17.516 -1.279 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.718 -0.964 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 61 18.250 -2.515 -5.077 1.00 0.00 H new ATOM 912 N SER A 62 21.520 -3.217 -5.369 1.00 0.00 N ATOM 913 CA SER A 62 21.643 -4.676 -5.406 1.00 0.00 C ATOM 914 C SER A 62 21.761 -5.238 -3.986 1.00 0.00 C ATOM 915 O SER A 62 22.537 -4.722 -3.180 1.00 0.00 O ATOM 916 CB SER A 62 22.866 -5.115 -6.223 1.00 0.00 C ATOM 917 OG SER A 62 22.615 -4.955 -7.611 1.00 0.00 O ATOM 0 H SER A 62 22.134 -2.789 -4.676 1.00 0.00 H new ATOM 0 HA SER A 62 20.744 -5.066 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.736 -4.525 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.101 -6.157 -6.007 1.00 0.00 H new ATOM 0 HG SER A 62 23.403 -5.237 -8.121 1.00 0.00 H new ATOM 923 N ASP A 63 21.022 -6.310 -3.684 1.00 0.00 N ATOM 924 CA ASP A 63 21.027 -6.967 -2.370 1.00 0.00 C ATOM 925 C ASP A 63 20.922 -8.502 -2.516 1.00 0.00 C ATOM 926 O ASP A 63 20.226 -8.972 -3.425 1.00 0.00 O ATOM 927 CB ASP A 63 19.876 -6.395 -1.523 1.00 0.00 C ATOM 928 CG ASP A 63 20.166 -6.496 -0.018 1.00 0.00 C ATOM 929 OD1 ASP A 63 21.015 -5.722 0.482 1.00 0.00 O ATOM 930 OD2 ASP A 63 19.551 -7.335 0.675 1.00 0.00 O ATOM 0 H ASP A 63 20.394 -6.753 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 63 21.971 -6.766 -1.864 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.712 -5.351 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.955 -6.932 -1.752 1.00 0.00 H new ATOM 935 N PRO A 64 21.609 -9.305 -1.682 1.00 0.00 N ATOM 936 CA PRO A 64 21.581 -10.765 -1.772 1.00 0.00 C ATOM 937 C PRO A 64 20.335 -11.377 -1.110 1.00 0.00 C ATOM 938 O PRO A 64 19.816 -10.880 -0.109 1.00 0.00 O ATOM 939 CB PRO A 64 22.875 -11.232 -1.102 1.00 0.00 C ATOM 940 CG PRO A 64 23.044 -10.184 -0.008 1.00 0.00 C ATOM 941 CD PRO A 64 22.600 -8.896 -0.696 1.00 0.00 C ATOM 0 HA PRO A 64 21.520 -11.094 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 64 22.786 -12.239 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 64 23.716 -11.241 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 64 22.430 -10.408 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 64 24.076 -10.123 0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 64 22.174 -8.194 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 64 23.443 -8.394 -1.171 1.00 0.00 H new ATOM 949 N ILE A 65 19.896 -12.527 -1.621 1.00 0.00 N ATOM 950 CA ILE A 65 18.635 -13.193 -1.240 1.00 0.00 C ATOM 951 C ILE A 65 18.568 -13.679 0.224 1.00 0.00 C ATOM 952 O ILE A 65 17.482 -13.918 0.746 1.00 0.00 O ATOM 953 CB ILE A 65 18.356 -14.330 -2.246 1.00 0.00 C ATOM 954 CG1 ILE A 65 16.871 -14.733 -2.215 1.00 0.00 C ATOM 955 CG2 ILE A 65 19.284 -15.540 -2.011 1.00 0.00 C ATOM 956 CD1 ILE A 65 16.466 -15.637 -3.379 1.00 0.00 C ATOM 0 H ILE A 65 20.417 -13.041 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 65 17.846 -12.442 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 65 18.577 -13.955 -3.245 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.660 -15.245 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.257 -13.833 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.057 -16.319 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 65 20.323 -15.229 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 65 19.129 -15.927 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 65 15.407 -15.884 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 65 16.646 -15.120 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.055 -16.553 -3.350 1.00 0.00 H new ATOM 968 N GLU A 66 19.714 -13.811 0.900 1.00 0.00 N ATOM 969 CA GLU A 66 19.781 -14.183 2.326 1.00 0.00 C ATOM 970 C GLU A 66 19.899 -12.970 3.274 1.00 0.00 C ATOM 971 O GLU A 66 19.760 -13.129 4.489 1.00 0.00 O ATOM 972 CB GLU A 66 20.906 -15.207 2.548 1.00 0.00 C ATOM 973 CG GLU A 66 20.635 -16.517 1.792 1.00 0.00 C ATOM 974 CD GLU A 66 21.669 -17.597 2.175 1.00 0.00 C ATOM 975 OE1 GLU A 66 22.765 -17.647 1.562 1.00 0.00 O ATOM 976 OE2 GLU A 66 21.394 -18.409 3.093 1.00 0.00 O ATOM 0 H GLU A 66 20.629 -13.663 0.475 1.00 0.00 H new ATOM 0 HA GLU A 66 18.829 -14.647 2.586 1.00 0.00 H new ATOM 0 HB2 GLU A 66 21.854 -14.784 2.216 1.00 0.00 H new ATOM 0 HB3 GLU A 66 21.005 -15.415 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 66 19.630 -16.872 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 66 20.673 -16.336 0.718 1.00 0.00 H new ATOM 983 N ASN A 67 20.115 -11.758 2.740 1.00 0.00 N ATOM 984 CA ASN A 67 20.032 -10.500 3.493 1.00 0.00 C ATOM 985 C ASN A 67 18.647 -9.847 3.335 1.00 0.00 C ATOM 986 O ASN A 67 18.128 -9.274 4.299 1.00 0.00 O ATOM 987 CB ASN A 67 21.132 -9.540 3.026 1.00 0.00 C ATOM 988 CG ASN A 67 21.134 -8.254 3.833 1.00 0.00 C ATOM 989 OD1 ASN A 67 21.553 -8.212 4.981 1.00 0.00 O ATOM 990 ND2 ASN A 67 20.654 -7.175 3.264 1.00 0.00 N ATOM 0 H ASN A 67 20.356 -11.624 1.758 1.00 0.00 H new ATOM 0 HA ASN A 67 20.176 -10.723 4.550 1.00 0.00 H new ATOM 0 HB2 ASN A 67 22.103 -10.028 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.988 -9.307 1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.629 -6.295 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 67 20.306 -7.215 2.306 1.00 0.00 H new ATOM 997 N PHE A 68 18.038 -9.950 2.145 1.00 0.00 N ATOM 998 CA PHE A 68 16.681 -9.473 1.905 1.00 0.00 C ATOM 999 C PHE A 68 15.638 -10.314 2.674 1.00 0.00 C ATOM 1000 O PHE A 68 15.907 -11.444 3.092 1.00 0.00 O ATOM 1001 CB PHE A 68 16.415 -9.374 0.388 1.00 0.00 C ATOM 1002 CG PHE A 68 15.151 -10.040 -0.117 1.00 0.00 C ATOM 1003 CD1 PHE A 68 15.115 -11.432 -0.295 1.00 0.00 C ATOM 1004 CD2 PHE A 68 14.002 -9.276 -0.390 1.00 0.00 C ATOM 1005 CE1 PHE A 68 13.958 -12.049 -0.792 1.00 0.00 C ATOM 1006 CE2 PHE A 68 12.858 -9.892 -0.923 1.00 0.00 C ATOM 1007 CZ PHE A 68 12.839 -11.278 -1.144 1.00 0.00 C ATOM 0 H PHE A 68 18.478 -10.368 1.325 1.00 0.00 H new ATOM 0 HA PHE A 68 16.577 -8.465 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.378 -8.319 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 68 17.265 -9.810 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 68 15.980 -12.029 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 68 14.000 -8.215 -0.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.928 -13.123 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.989 -9.297 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.970 -11.748 -1.581 1.00 0.00 H new ATOM 1017 N ASN A 69 14.430 -9.763 2.846 1.00 0.00 N ATOM 1018 CA ASN A 69 13.286 -10.452 3.445 1.00 0.00 C ATOM 1019 C ASN A 69 12.009 -10.186 2.629 1.00 0.00 C ATOM 1020 O ASN A 69 11.597 -9.040 2.485 1.00 0.00 O ATOM 1021 CB ASN A 69 13.183 -9.987 4.913 1.00 0.00 C ATOM 1022 CG ASN A 69 11.862 -10.351 5.568 1.00 0.00 C ATOM 1023 OD1 ASN A 69 11.154 -9.513 6.102 1.00 0.00 O ATOM 1024 ND2 ASN A 69 11.470 -11.606 5.527 1.00 0.00 N ATOM 0 H ASN A 69 14.219 -8.805 2.566 1.00 0.00 H new ATOM 0 HA ASN A 69 13.418 -11.534 3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.998 -10.430 5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.315 -8.906 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.577 -11.875 5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.059 -12.310 5.082 1.00 0.00 H new ATOM 1031 N ALA A 70 11.348 -11.239 2.135 1.00 0.00 N ATOM 1032 CA ALA A 70 10.230 -11.119 1.186 1.00 0.00 C ATOM 1033 C ALA A 70 8.912 -10.563 1.770 1.00 0.00 C ATOM 1034 O ALA A 70 7.939 -10.421 1.034 1.00 0.00 O ATOM 1035 CB ALA A 70 10.000 -12.487 0.533 1.00 0.00 C ATOM 0 H ALA A 70 11.573 -12.203 2.382 1.00 0.00 H new ATOM 0 HA ALA A 70 10.528 -10.367 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.174 -12.418 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.903 -12.796 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.759 -13.221 1.302 1.00 0.00 H new ATOM 1041 N ASP A 71 8.857 -10.238 3.066 1.00 0.00 N ATOM 1042 CA ASP A 71 7.599 -9.914 3.761 1.00 0.00 C ATOM 1043 C ASP A 71 6.993 -8.563 3.333 1.00 0.00 C ATOM 1044 O ASP A 71 5.770 -8.417 3.275 1.00 0.00 O ATOM 1045 CB ASP A 71 7.846 -9.936 5.274 1.00 0.00 C ATOM 1046 CG ASP A 71 6.540 -9.766 6.066 1.00 0.00 C ATOM 1047 OD1 ASP A 71 5.719 -10.716 6.094 1.00 0.00 O ATOM 1048 OD2 ASP A 71 6.337 -8.693 6.684 1.00 0.00 O ATOM 0 H ASP A 71 9.681 -10.191 3.666 1.00 0.00 H new ATOM 0 HA ASP A 71 6.866 -10.671 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.320 -10.877 5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.540 -9.139 5.541 1.00 0.00 H new ATOM 1053 N ASP A 72 7.837 -7.582 2.993 1.00 0.00 N ATOM 1054 CA ASP A 72 7.399 -6.268 2.496 1.00 0.00 C ATOM 1055 C ASP A 72 6.957 -6.299 1.018 1.00 0.00 C ATOM 1056 O ASP A 72 6.203 -5.432 0.578 1.00 0.00 O ATOM 1057 CB ASP A 72 8.540 -5.266 2.713 1.00 0.00 C ATOM 1058 CG ASP A 72 8.138 -3.825 2.360 1.00 0.00 C ATOM 1059 OD1 ASP A 72 7.199 -3.272 2.985 1.00 0.00 O ATOM 1060 OD2 ASP A 72 8.793 -3.195 1.498 1.00 0.00 O ATOM 0 H ASP A 72 8.851 -7.676 3.055 1.00 0.00 H new ATOM 0 HA ASP A 72 6.515 -5.964 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.859 -5.305 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.396 -5.559 2.106 1.00 0.00 H new ATOM 1065 N TYR A 73 7.396 -7.304 0.252 1.00 0.00 N ATOM 1066 CA TYR A 73 7.255 -7.374 -1.206 1.00 0.00 C ATOM 1067 C TYR A 73 6.160 -8.382 -1.592 1.00 0.00 C ATOM 1068 O TYR A 73 6.429 -9.570 -1.771 1.00 0.00 O ATOM 1069 CB TYR A 73 8.625 -7.683 -1.852 1.00 0.00 C ATOM 1070 CG TYR A 73 9.778 -6.856 -1.303 1.00 0.00 C ATOM 1071 CD1 TYR A 73 10.457 -7.301 -0.153 1.00 0.00 C ATOM 1072 CD2 TYR A 73 10.151 -5.631 -1.895 1.00 0.00 C ATOM 1073 CE1 TYR A 73 11.488 -6.537 0.420 1.00 0.00 C ATOM 1074 CE2 TYR A 73 11.163 -4.846 -1.307 1.00 0.00 C ATOM 1075 CZ TYR A 73 11.837 -5.295 -0.150 1.00 0.00 C ATOM 1076 OH TYR A 73 12.826 -4.532 0.395 1.00 0.00 O ATOM 0 H TYR A 73 7.874 -8.116 0.642 1.00 0.00 H new ATOM 0 HA TYR A 73 6.932 -6.408 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.851 -8.740 -1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.553 -7.515 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.181 -8.244 0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.662 -5.295 -2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.011 -6.899 1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.425 -3.894 -1.744 1.00 0.00 H new ATOM 0 HH TYR A 73 12.932 -3.710 -0.129 1.00 0.00 H new ATOM 1086 N ASP A 74 4.912 -7.915 -1.728 1.00 0.00 N ATOM 1087 CA ASP A 74 3.770 -8.779 -2.082 1.00 0.00 C ATOM 1088 C ASP A 74 3.969 -9.515 -3.418 1.00 0.00 C ATOM 1089 O ASP A 74 3.456 -10.622 -3.596 1.00 0.00 O ATOM 1090 CB ASP A 74 2.478 -7.946 -2.182 1.00 0.00 C ATOM 1091 CG ASP A 74 1.867 -7.525 -0.833 1.00 0.00 C ATOM 1092 OD1 ASP A 74 2.073 -8.208 0.197 1.00 0.00 O ATOM 1093 OD2 ASP A 74 1.108 -6.526 -0.833 1.00 0.00 O ATOM 0 H ASP A 74 4.663 -6.935 -1.597 1.00 0.00 H new ATOM 0 HA ASP A 74 3.696 -9.521 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.687 -7.049 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.736 -8.520 -2.736 1.00 0.00 H new ATOM 1098 N VAL A 75 4.713 -8.910 -4.352 1.00 0.00 N ATOM 1099 CA VAL A 75 4.951 -9.446 -5.698 1.00 0.00 C ATOM 1100 C VAL A 75 6.428 -9.795 -5.864 1.00 0.00 C ATOM 1101 O VAL A 75 7.269 -8.907 -5.986 1.00 0.00 O ATOM 1102 CB VAL A 75 4.469 -8.448 -6.768 1.00 0.00 C ATOM 1103 CG1 VAL A 75 4.525 -9.078 -8.159 1.00 0.00 C ATOM 1104 CG2 VAL A 75 3.028 -7.978 -6.520 1.00 0.00 C ATOM 0 H VAL A 75 5.176 -8.016 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 75 4.376 -10.362 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 75 5.139 -7.590 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.180 -8.356 -8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.551 -9.369 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.884 -9.959 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.735 -7.276 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.358 -8.837 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.968 -7.486 -5.549 1.00 0.00 H new ATOM 1114 N VAL A 76 6.755 -11.086 -5.900 1.00 0.00 N ATOM 1115 CA VAL A 76 8.127 -11.587 -6.097 1.00 0.00 C ATOM 1116 C VAL A 76 8.234 -12.285 -7.453 1.00 0.00 C ATOM 1117 O VAL A 76 7.386 -13.097 -7.811 1.00 0.00 O ATOM 1118 CB VAL A 76 8.559 -12.514 -4.948 1.00 0.00 C ATOM 1119 CG1 VAL A 76 10.006 -12.990 -5.135 1.00 0.00 C ATOM 1120 CG2 VAL A 76 8.477 -11.817 -3.585 1.00 0.00 C ATOM 0 H VAL A 76 6.067 -11.831 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 76 8.811 -10.739 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 76 7.871 -13.359 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.284 -13.643 -4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.091 -13.537 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.673 -12.128 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.791 -12.509 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.131 -10.945 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.450 -11.501 -3.399 1.00 0.00 H new ATOM 1130 N ILE A 77 9.272 -11.968 -8.226 1.00 0.00 N ATOM 1131 CA ILE A 77 9.401 -12.392 -9.624 1.00 0.00 C ATOM 1132 C ILE A 77 10.758 -13.047 -9.857 1.00 0.00 C ATOM 1133 O ILE A 77 11.784 -12.385 -9.726 1.00 0.00 O ATOM 1134 CB ILE A 77 9.233 -11.168 -10.553 1.00 0.00 C ATOM 1135 CG1 ILE A 77 7.900 -10.412 -10.361 1.00 0.00 C ATOM 1136 CG2 ILE A 77 9.425 -11.561 -12.027 1.00 0.00 C ATOM 1137 CD1 ILE A 77 6.639 -11.225 -10.672 1.00 0.00 C ATOM 0 H ILE A 77 10.056 -11.404 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 77 8.623 -13.122 -9.848 1.00 0.00 H new ATOM 0 HB ILE A 77 10.019 -10.471 -10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.843 -10.064 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.908 -9.526 -10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.301 -10.680 -12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 77 10.426 -11.970 -12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.684 -12.312 -12.303 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.757 -10.606 -10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.664 -11.551 -11.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.598 -12.097 -10.019 1.00 0.00 H new ATOM 1149 N SER A 78 10.779 -14.322 -10.244 1.00 0.00 N ATOM 1150 CA SER A 78 12.000 -14.968 -10.720 1.00 0.00 C ATOM 1151 C SER A 78 12.257 -14.559 -12.167 1.00 0.00 C ATOM 1152 O SER A 78 11.357 -14.557 -13.004 1.00 0.00 O ATOM 1153 CB SER A 78 11.942 -16.491 -10.595 1.00 0.00 C ATOM 1154 OG SER A 78 13.238 -17.007 -10.890 1.00 0.00 O ATOM 0 H SER A 78 9.960 -14.930 -10.237 1.00 0.00 H new ATOM 0 HA SER A 78 12.823 -14.634 -10.088 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.637 -16.779 -9.589 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.203 -16.902 -11.282 1.00 0.00 H new ATOM 0 HG SER A 78 13.917 -16.340 -10.656 1.00 0.00 H new ATOM 1160 N LEU A 79 13.509 -14.239 -12.477 1.00 0.00 N ATOM 1161 CA LEU A 79 13.996 -14.034 -13.845 1.00 0.00 C ATOM 1162 C LEU A 79 14.911 -15.203 -14.255 1.00 0.00 C ATOM 1163 O LEU A 79 15.789 -15.040 -15.095 1.00 0.00 O ATOM 1164 CB LEU A 79 14.595 -12.606 -13.957 1.00 0.00 C ATOM 1165 CG LEU A 79 13.667 -11.468 -13.490 1.00 0.00 C ATOM 1166 CD1 LEU A 79 14.418 -10.167 -13.698 1.00 0.00 C ATOM 1167 CD2 LEU A 79 12.397 -11.387 -14.300 1.00 0.00 C ATOM 0 H LEU A 79 14.234 -14.111 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 79 13.193 -14.060 -14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.514 -12.568 -13.372 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.871 -12.425 -14.996 1.00 0.00 H new ATOM 0 HG LEU A 79 13.395 -11.652 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.794 -9.332 -13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 79 15.336 -10.179 -13.111 1.00 0.00 H new ATOM 0 HD13 LEU A 79 14.664 -10.054 -14.754 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.780 -10.569 -13.929 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.644 -11.209 -15.347 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.848 -12.324 -14.211 1.00 0.00 H new ATOM 1179 N CYS A 80 14.755 -16.376 -13.621 1.00 0.00 N ATOM 1180 CA CYS A 80 15.616 -17.552 -13.819 1.00 0.00 C ATOM 1181 C CYS A 80 14.943 -18.923 -13.593 1.00 0.00 C ATOM 1182 O CYS A 80 15.626 -19.946 -13.658 1.00 0.00 O ATOM 1183 CB CYS A 80 16.828 -17.388 -12.890 1.00 0.00 C ATOM 1184 SG CYS A 80 16.481 -17.216 -11.116 1.00 0.00 S ATOM 0 H CYS A 80 14.011 -16.536 -12.942 1.00 0.00 H new ATOM 0 HA CYS A 80 15.892 -17.574 -14.873 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.480 -18.251 -13.027 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.388 -16.511 -13.213 1.00 0.00 H new ATOM 1189 N GLY A 81 13.640 -18.979 -13.286 1.00 0.00 N ATOM 1190 CA GLY A 81 12.952 -20.216 -12.885 1.00 0.00 C ATOM 1191 C GLY A 81 13.487 -20.820 -11.582 1.00 0.00 C ATOM 1192 O GLY A 81 13.408 -22.032 -11.385 1.00 0.00 O ATOM 0 H GLY A 81 13.029 -18.163 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.888 -20.009 -12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.049 -20.951 -13.684 1.00 0.00 H new ATOM 1196 N CYS A 82 14.050 -19.991 -10.692 1.00 0.00 N ATOM 1197 CA CYS A 82 14.792 -20.457 -9.512 1.00 0.00 C ATOM 1198 C CYS A 82 13.903 -20.876 -8.324 1.00 0.00 C ATOM 1199 O CYS A 82 14.430 -21.294 -7.296 1.00 0.00 O ATOM 1200 CB CYS A 82 15.817 -19.390 -9.082 1.00 0.00 C ATOM 1201 SG CYS A 82 17.113 -18.961 -10.280 1.00 0.00 S ATOM 0 H CYS A 82 14.003 -18.975 -10.770 1.00 0.00 H new ATOM 0 HA CYS A 82 15.306 -21.368 -9.817 1.00 0.00 H new ATOM 0 HB2 CYS A 82 15.273 -18.479 -8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 82 16.301 -19.734 -8.168 1.00 0.00 H new ATOM 1206 N GLY A 83 12.571 -20.762 -8.402 1.00 0.00 N ATOM 1207 CA GLY A 83 11.658 -20.969 -7.258 1.00 0.00 C ATOM 1208 C GLY A 83 11.752 -22.350 -6.588 1.00 0.00 C ATOM 1209 O GLY A 83 11.464 -22.471 -5.399 1.00 0.00 O ATOM 0 H GLY A 83 12.087 -20.521 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.861 -20.204 -6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.634 -20.817 -7.599 1.00 0.00 H new ATOM 1213 N VAL A 84 12.256 -23.365 -7.300 1.00 0.00 N ATOM 1214 CA VAL A 84 12.563 -24.705 -6.745 1.00 0.00 C ATOM 1215 C VAL A 84 13.805 -24.746 -5.834 1.00 0.00 C ATOM 1216 O VAL A 84 13.986 -25.725 -5.104 1.00 0.00 O ATOM 1217 CB VAL A 84 12.690 -25.763 -7.863 1.00 0.00 C ATOM 1218 CG1 VAL A 84 11.363 -25.943 -8.608 1.00 0.00 C ATOM 1219 CG2 VAL A 84 13.789 -25.434 -8.882 1.00 0.00 C ATOM 0 H VAL A 84 12.468 -23.285 -8.294 1.00 0.00 H new ATOM 0 HA VAL A 84 11.710 -24.946 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 84 12.965 -26.689 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.483 -26.694 -9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.594 -26.268 -7.908 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.067 -24.995 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.827 -26.215 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 84 13.570 -24.477 -9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 84 14.751 -25.375 -8.373 1.00 0.00 H new ATOM 1229 N ASN A 85 14.643 -23.698 -5.840 1.00 0.00 N ATOM 1230 CA ASN A 85 15.870 -23.582 -5.036 1.00 0.00 C ATOM 1231 C ASN A 85 15.767 -22.466 -3.976 1.00 0.00 C ATOM 1232 O ASN A 85 16.552 -22.440 -3.026 1.00 0.00 O ATOM 1233 CB ASN A 85 17.056 -23.330 -5.990 1.00 0.00 C ATOM 1234 CG ASN A 85 17.424 -24.515 -6.874 1.00 0.00 C ATOM 1235 OD1 ASN A 85 17.014 -25.650 -6.685 1.00 0.00 O ATOM 1236 ND2 ASN A 85 18.245 -24.290 -7.877 1.00 0.00 N ATOM 0 H ASN A 85 14.479 -22.879 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 85 16.022 -24.511 -4.487 1.00 0.00 H new ATOM 0 HB2 ASN A 85 16.817 -22.479 -6.628 1.00 0.00 H new ATOM 0 HB3 ASN A 85 17.928 -23.051 -5.398 1.00 0.00 H new ATOM 0 HD21 ASN A 85 18.531 -25.058 -8.484 1.00 0.00 H new ATOM 0 HD22 ASN A 85 18.596 -23.347 -8.047 1.00 0.00 H new ATOM 1243 N LEU A 86 14.806 -21.547 -4.125 1.00 0.00 N ATOM 1244 CA LEU A 86 14.527 -20.479 -3.164 1.00 0.00 C ATOM 1245 C LEU A 86 13.977 -21.005 -1.817 1.00 0.00 C ATOM 1246 O LEU A 86 13.319 -22.051 -1.795 1.00 0.00 O ATOM 1247 CB LEU A 86 13.509 -19.483 -3.768 1.00 0.00 C ATOM 1248 CG LEU A 86 14.162 -18.291 -4.475 1.00 0.00 C ATOM 1249 CD1 LEU A 86 14.745 -18.586 -5.847 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.150 -17.160 -4.642 1.00 0.00 C ATOM 0 H LEU A 86 14.188 -21.527 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 86 15.478 -19.987 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.873 -20.012 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.861 -19.113 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 86 14.994 -18.018 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.182 -17.677 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.516 -19.351 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.956 -18.942 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.625 -16.318 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.307 -17.511 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.794 -16.843 -3.662 1.00 0.00 H new ATOM 1262 N PRO A 87 14.178 -20.266 -0.705 1.00 0.00 N ATOM 1263 CA PRO A 87 13.514 -20.547 0.565 1.00 0.00 C ATOM 1264 C PRO A 87 11.985 -20.469 0.391 1.00 0.00 C ATOM 1265 O PRO A 87 11.507 -19.541 -0.276 1.00 0.00 O ATOM 1266 CB PRO A 87 14.012 -19.479 1.552 1.00 0.00 C ATOM 1267 CG PRO A 87 15.335 -19.022 0.949 1.00 0.00 C ATOM 1268 CD PRO A 87 15.075 -19.132 -0.550 1.00 0.00 C ATOM 0 HA PRO A 87 13.742 -21.549 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.305 -18.654 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.148 -19.890 2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.584 -18.002 1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.164 -19.656 1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.624 -18.219 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.004 -19.288 -1.099 1.00 0.00 H new ATOM 1276 N PRO A 88 11.191 -21.394 0.963 1.00 0.00 N ATOM 1277 CA PRO A 88 9.745 -21.428 0.739 1.00 0.00 C ATOM 1278 C PRO A 88 9.034 -20.135 1.161 1.00 0.00 C ATOM 1279 O PRO A 88 8.119 -19.702 0.466 1.00 0.00 O ATOM 1280 CB PRO A 88 9.235 -22.659 1.497 1.00 0.00 C ATOM 1281 CG PRO A 88 10.324 -22.951 2.528 1.00 0.00 C ATOM 1282 CD PRO A 88 11.598 -22.501 1.817 1.00 0.00 C ATOM 0 HA PRO A 88 9.523 -21.500 -0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.277 -22.461 1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.086 -23.505 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.162 -22.399 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.359 -24.009 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 88 12.358 -22.187 2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 88 12.029 -23.313 1.230 1.00 0.00 H new ATOM 1290 N GLU A 89 9.484 -19.443 2.211 1.00 0.00 N ATOM 1291 CA GLU A 89 8.890 -18.163 2.628 1.00 0.00 C ATOM 1292 C GLU A 89 9.068 -17.025 1.601 1.00 0.00 C ATOM 1293 O GLU A 89 8.233 -16.120 1.550 1.00 0.00 O ATOM 1294 CB GLU A 89 9.384 -17.741 4.025 1.00 0.00 C ATOM 1295 CG GLU A 89 10.909 -17.702 4.226 1.00 0.00 C ATOM 1296 CD GLU A 89 11.439 -19.034 4.789 1.00 0.00 C ATOM 1297 OE1 GLU A 89 11.643 -19.985 4.000 1.00 0.00 O ATOM 1298 OE2 GLU A 89 11.643 -19.139 6.025 1.00 0.00 O ATOM 0 H GLU A 89 10.264 -19.748 2.794 1.00 0.00 H new ATOM 0 HA GLU A 89 7.816 -18.344 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.985 -16.751 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.960 -18.426 4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.397 -17.488 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.167 -16.890 4.906 1.00 0.00 H new ATOM 1305 N TRP A 90 10.098 -17.058 0.741 1.00 0.00 N ATOM 1306 CA TRP A 90 10.218 -16.110 -0.378 1.00 0.00 C ATOM 1307 C TRP A 90 9.297 -16.471 -1.561 1.00 0.00 C ATOM 1308 O TRP A 90 8.972 -15.607 -2.376 1.00 0.00 O ATOM 1309 CB TRP A 90 11.681 -16.015 -0.824 1.00 0.00 C ATOM 1310 CG TRP A 90 12.725 -15.600 0.181 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.048 -15.650 -0.092 1.00 0.00 C ATOM 1312 CD2 TRP A 90 12.634 -15.093 1.564 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.772 -15.214 0.996 1.00 0.00 N ATOM 1314 CE2 TRP A 90 13.960 -14.897 2.055 1.00 0.00 C ATOM 1315 CE3 TRP A 90 11.595 -14.787 2.476 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.244 -14.474 3.362 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 11.863 -14.396 3.804 1.00 0.00 C ATOM 1318 CH2 TRP A 90 13.187 -14.256 4.255 1.00 0.00 C ATOM 0 H TRP A 90 10.861 -17.732 0.799 1.00 0.00 H new ATOM 0 HA TRP A 90 9.888 -15.134 -0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.970 -16.991 -1.215 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.727 -15.312 -1.656 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.475 -15.983 -1.026 1.00 0.00 H new ATOM 0 HE1 TRP A 90 15.789 -15.136 1.012 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.569 -14.855 2.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 15.266 -14.318 3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.044 -14.202 4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 90 13.387 -13.983 5.280 1.00 0.00 H new ATOM 1329 N VAL A 91 8.839 -17.729 -1.639 1.00 0.00 N ATOM 1330 CA VAL A 91 7.941 -18.257 -2.681 1.00 0.00 C ATOM 1331 C VAL A 91 6.462 -18.094 -2.305 1.00 0.00 C ATOM 1332 O VAL A 91 5.649 -17.772 -3.166 1.00 0.00 O ATOM 1333 CB VAL A 91 8.293 -19.730 -2.973 1.00 0.00 C ATOM 1334 CG1 VAL A 91 7.265 -20.438 -3.861 1.00 0.00 C ATOM 1335 CG2 VAL A 91 9.667 -19.823 -3.648 1.00 0.00 C ATOM 0 H VAL A 91 9.094 -18.437 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 91 8.091 -17.673 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 91 8.297 -20.233 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.576 -21.470 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.291 -20.426 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.196 -19.923 -4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.904 -20.868 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.650 -19.268 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.425 -19.399 -2.990 1.00 0.00 H new ATOM 1345 N THR A 92 6.093 -18.260 -1.030 1.00 0.00 N ATOM 1346 CA THR A 92 4.688 -18.256 -0.563 1.00 0.00 C ATOM 1347 C THR A 92 4.097 -16.854 -0.310 1.00 0.00 C ATOM 1348 O THR A 92 3.065 -16.713 0.353 1.00 0.00 O ATOM 1349 CB THR A 92 4.490 -19.202 0.636 1.00 0.00 C ATOM 1350 OG1 THR A 92 5.346 -18.838 1.701 1.00 0.00 O ATOM 1351 CG2 THR A 92 4.779 -20.654 0.236 1.00 0.00 C ATOM 0 H THR A 92 6.766 -18.403 -0.277 1.00 0.00 H new ATOM 0 HA THR A 92 4.106 -18.645 -1.398 1.00 0.00 H new ATOM 0 HB THR A 92 3.452 -19.117 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.251 -19.166 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.633 -21.305 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.101 -20.953 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.809 -20.738 -0.111 1.00 0.00 H new ATOM 1359 N GLN A 93 4.722 -15.809 -0.865 1.00 0.00 N ATOM 1360 CA GLN A 93 4.173 -14.447 -0.907 1.00 0.00 C ATOM 1361 C GLN A 93 2.957 -14.357 -1.847 1.00 0.00 C ATOM 1362 O GLN A 93 2.681 -15.272 -2.628 1.00 0.00 O ATOM 1363 CB GLN A 93 5.279 -13.444 -1.292 1.00 0.00 C ATOM 1364 CG GLN A 93 6.453 -13.417 -0.299 1.00 0.00 C ATOM 1365 CD GLN A 93 6.028 -13.147 1.149 1.00 0.00 C ATOM 1366 OE1 GLN A 93 5.171 -12.321 1.442 1.00 0.00 O ATOM 1367 NE2 GLN A 93 6.571 -13.864 2.111 1.00 0.00 N ATOM 0 H GLN A 93 5.639 -15.887 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 93 3.813 -14.186 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.657 -13.694 -2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.846 -12.446 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.977 -14.372 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.163 -12.650 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.286 -14.557 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.277 -13.726 3.078 1.00 0.00 H new ATOM 1376 N GLU A 94 2.212 -13.250 -1.752 1.00 0.00 N ATOM 1377 CA GLU A 94 0.905 -13.083 -2.404 1.00 0.00 C ATOM 1378 C GLU A 94 0.917 -13.368 -3.921 1.00 0.00 C ATOM 1379 O GLU A 94 0.007 -14.033 -4.427 1.00 0.00 O ATOM 1380 CB GLU A 94 0.393 -11.667 -2.117 1.00 0.00 C ATOM 1381 CG GLU A 94 -1.096 -11.555 -2.431 1.00 0.00 C ATOM 1382 CD GLU A 94 -1.620 -10.141 -2.129 1.00 0.00 C ATOM 1383 OE1 GLU A 94 -1.347 -9.210 -2.924 1.00 0.00 O ATOM 1384 OE2 GLU A 94 -2.304 -9.939 -1.097 1.00 0.00 O ATOM 0 H GLU A 94 2.502 -12.434 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 94 0.232 -13.831 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.568 -11.417 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.951 -10.946 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.269 -11.794 -3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.651 -12.285 -1.842 1.00 0.00 H new ATOM 1391 N ILE A 95 1.961 -12.925 -4.632 1.00 0.00 N ATOM 1392 CA ILE A 95 2.235 -13.288 -6.029 1.00 0.00 C ATOM 1393 C ILE A 95 3.686 -13.762 -6.167 1.00 0.00 C ATOM 1394 O ILE A 95 4.617 -13.036 -5.803 1.00 0.00 O ATOM 1395 CB ILE A 95 1.908 -12.109 -6.985 1.00 0.00 C ATOM 1396 CG1 ILE A 95 0.401 -11.759 -6.936 1.00 0.00 C ATOM 1397 CG2 ILE A 95 2.346 -12.440 -8.426 1.00 0.00 C ATOM 1398 CD1 ILE A 95 -0.035 -10.607 -7.857 1.00 0.00 C ATOM 0 H ILE A 95 2.656 -12.288 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 95 1.585 -14.113 -6.319 1.00 0.00 H new ATOM 0 HB ILE A 95 2.467 -11.236 -6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.171 -12.649 -7.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.137 -11.502 -5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.108 -11.601 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.420 -12.623 -8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.820 -13.330 -8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.107 -10.440 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.503 -9.699 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.190 -10.864 -8.892 1.00 0.00 H new ATOM 1410 N PHE A 96 3.875 -14.955 -6.739 1.00 0.00 N ATOM 1411 CA PHE A 96 5.176 -15.481 -7.159 1.00 0.00 C ATOM 1412 C PHE A 96 5.086 -16.014 -8.601 1.00 0.00 C ATOM 1413 O PHE A 96 4.231 -16.850 -8.905 1.00 0.00 O ATOM 1414 CB PHE A 96 5.714 -16.529 -6.175 1.00 0.00 C ATOM 1415 CG PHE A 96 7.134 -16.963 -6.494 1.00 0.00 C ATOM 1416 CD1 PHE A 96 7.382 -17.974 -7.442 1.00 0.00 C ATOM 1417 CD2 PHE A 96 8.219 -16.319 -5.870 1.00 0.00 C ATOM 1418 CE1 PHE A 96 8.704 -18.320 -7.780 1.00 0.00 C ATOM 1419 CE2 PHE A 96 9.542 -16.664 -6.204 1.00 0.00 C ATOM 1420 CZ PHE A 96 9.786 -17.661 -7.166 1.00 0.00 C ATOM 0 H PHE A 96 3.106 -15.598 -6.927 1.00 0.00 H new ATOM 0 HA PHE A 96 5.901 -14.667 -7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.682 -16.122 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.061 -17.402 -6.188 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.555 -18.486 -7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.035 -15.555 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.889 -19.093 -8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.369 -16.164 -5.722 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.800 -17.920 -7.433 1.00 0.00 H new ATOM 1430 N GLU A 97 5.957 -15.525 -9.489 1.00 0.00 N ATOM 1431 CA GLU A 97 5.962 -15.843 -10.931 1.00 0.00 C ATOM 1432 C GLU A 97 7.391 -16.002 -11.485 1.00 0.00 C ATOM 1433 O GLU A 97 8.357 -15.584 -10.847 1.00 0.00 O ATOM 1434 CB GLU A 97 5.235 -14.736 -11.727 1.00 0.00 C ATOM 1435 CG GLU A 97 3.745 -14.554 -11.398 1.00 0.00 C ATOM 1436 CD GLU A 97 2.862 -15.777 -11.740 1.00 0.00 C ATOM 1437 OE1 GLU A 97 3.255 -16.633 -12.573 1.00 0.00 O ATOM 1438 OE2 GLU A 97 1.726 -15.865 -11.210 1.00 0.00 O ATOM 0 H GLU A 97 6.700 -14.879 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 97 5.442 -16.794 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.746 -13.790 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.330 -14.955 -12.790 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.644 -14.334 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.369 -13.686 -11.940 1.00 0.00 H new ATOM 1445 N ASP A 98 7.532 -16.562 -12.692 1.00 0.00 N ATOM 1446 CA ASP A 98 8.801 -16.669 -13.433 1.00 0.00 C ATOM 1447 C ASP A 98 8.676 -16.163 -14.883 1.00 0.00 C ATOM 1448 O ASP A 98 7.738 -16.527 -15.595 1.00 0.00 O ATOM 1449 CB ASP A 98 9.315 -18.115 -13.393 1.00 0.00 C ATOM 1450 CG ASP A 98 10.500 -18.341 -14.349 1.00 0.00 C ATOM 1451 OD1 ASP A 98 11.431 -17.499 -14.376 1.00 0.00 O ATOM 1452 OD2 ASP A 98 10.485 -19.359 -15.078 1.00 0.00 O ATOM 0 H ASP A 98 6.744 -16.966 -13.198 1.00 0.00 H new ATOM 0 HA ASP A 98 9.527 -16.022 -12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.620 -18.362 -12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.504 -18.794 -13.657 1.00 0.00 H new ATOM 1457 N TRP A 99 9.646 -15.357 -15.331 1.00 0.00 N ATOM 1458 CA TRP A 99 9.722 -14.810 -16.698 1.00 0.00 C ATOM 1459 C TRP A 99 10.616 -15.598 -17.668 1.00 0.00 C ATOM 1460 O TRP A 99 10.704 -15.209 -18.832 1.00 0.00 O ATOM 1461 CB TRP A 99 10.153 -13.343 -16.639 1.00 0.00 C ATOM 1462 CG TRP A 99 9.205 -12.367 -16.020 1.00 0.00 C ATOM 1463 CD1 TRP A 99 7.981 -12.610 -15.491 1.00 0.00 C ATOM 1464 CD2 TRP A 99 9.429 -10.943 -15.852 1.00 0.00 C ATOM 1465 NE1 TRP A 99 7.472 -11.441 -14.957 1.00 0.00 N ATOM 1466 CE2 TRP A 99 8.354 -10.395 -15.102 1.00 0.00 C ATOM 1467 CE3 TRP A 99 10.456 -10.069 -16.247 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 8.370 -9.072 -14.653 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 10.510 -8.755 -15.760 1.00 0.00 C ATOM 1470 CH2 TRP A 99 9.481 -8.265 -14.942 1.00 0.00 C ATOM 0 H TRP A 99 10.422 -15.057 -14.740 1.00 0.00 H new ATOM 0 HA TRP A 99 8.718 -14.903 -17.112 1.00 0.00 H new ATOM 0 HB2 TRP A 99 11.094 -13.291 -16.091 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.358 -13.012 -17.657 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.481 -13.567 -15.487 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.558 -11.364 -14.512 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.214 -10.414 -16.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.538 -8.675 -14.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 11.345 -8.119 -16.015 1.00 0.00 H new ATOM 0 HH2 TRP A 99 9.544 -7.267 -14.535 1.00 0.00 H new ATOM 1481 N GLN A 100 11.239 -16.700 -17.241 1.00 0.00 N ATOM 1482 CA GLN A 100 11.955 -17.655 -18.111 1.00 0.00 C ATOM 1483 C GLN A 100 13.201 -17.063 -18.817 1.00 0.00 C ATOM 1484 O GLN A 100 13.509 -17.418 -19.959 1.00 0.00 O ATOM 1485 CB GLN A 100 10.969 -18.328 -19.100 1.00 0.00 C ATOM 1486 CG GLN A 100 9.685 -18.877 -18.455 1.00 0.00 C ATOM 1487 CD GLN A 100 8.681 -19.330 -19.515 1.00 0.00 C ATOM 1488 OE1 GLN A 100 8.586 -20.499 -19.868 1.00 0.00 O ATOM 1489 NE2 GLN A 100 7.900 -18.427 -20.080 1.00 0.00 N ATOM 0 H GLN A 100 11.264 -16.965 -16.256 1.00 0.00 H new ATOM 0 HA GLN A 100 12.365 -18.425 -17.458 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.693 -17.603 -19.866 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.484 -19.145 -19.605 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.932 -19.715 -17.804 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.233 -18.108 -17.828 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.965 -17.449 -19.799 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.232 -18.708 -20.798 1.00 0.00 H new ATOM 1498 N LEU A 101 13.909 -16.133 -18.160 1.00 0.00 N ATOM 1499 CA LEU A 101 15.035 -15.387 -18.748 1.00 0.00 C ATOM 1500 C LEU A 101 16.405 -16.067 -18.531 1.00 0.00 C ATOM 1501 O LEU A 101 16.554 -16.962 -17.701 1.00 0.00 O ATOM 1502 CB LEU A 101 15.013 -13.922 -18.249 1.00 0.00 C ATOM 1503 CG LEU A 101 13.690 -13.154 -18.451 1.00 0.00 C ATOM 1504 CD1 LEU A 101 13.935 -11.689 -18.125 1.00 0.00 C ATOM 1505 CD2 LEU A 101 13.196 -13.198 -19.890 1.00 0.00 C ATOM 0 H LEU A 101 13.715 -15.873 -17.193 1.00 0.00 H new ATOM 0 HA LEU A 101 14.899 -15.387 -19.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.252 -13.919 -17.186 1.00 0.00 H new ATOM 0 HB3 LEU A 101 15.808 -13.375 -18.756 1.00 0.00 H new ATOM 0 HG LEU A 101 12.946 -13.623 -17.807 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.011 -11.127 -18.261 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.267 -11.597 -17.091 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.703 -11.292 -18.789 1.00 0.00 H new ATOM 0 HD21 LEU A 101 12.262 -12.641 -19.971 1.00 0.00 H new ATOM 0 HD22 LEU A 101 13.944 -12.751 -20.545 1.00 0.00 H new ATOM 0 HD23 LEU A 101 13.028 -14.234 -20.185 1.00 0.00 H new ATOM 1517 N GLU A 102 17.418 -15.600 -19.269 1.00 0.00 N ATOM 1518 CA GLU A 102 18.800 -16.116 -19.296 1.00 0.00 C ATOM 1519 C GLU A 102 19.807 -15.033 -18.864 1.00 0.00 C ATOM 1520 O GLU A 102 19.562 -13.850 -19.088 1.00 0.00 O ATOM 1521 CB GLU A 102 19.072 -16.640 -20.719 1.00 0.00 C ATOM 1522 CG GLU A 102 20.425 -17.344 -20.875 1.00 0.00 C ATOM 1523 CD GLU A 102 20.530 -18.021 -22.255 1.00 0.00 C ATOM 1524 OE1 GLU A 102 20.889 -17.341 -23.246 1.00 0.00 O ATOM 1525 OE2 GLU A 102 20.258 -19.244 -22.358 1.00 0.00 O ATOM 0 H GLU A 102 17.294 -14.808 -19.900 1.00 0.00 H new ATOM 0 HA GLU A 102 18.922 -16.930 -18.582 1.00 0.00 H new ATOM 0 HB2 GLU A 102 18.279 -17.334 -20.998 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.026 -15.805 -21.418 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.232 -16.621 -20.756 1.00 0.00 H new ATOM 0 HG3 GLU A 102 20.546 -18.089 -20.089 1.00 0.00 H new ATOM 1532 N ASP A 103 20.931 -15.407 -18.234 1.00 0.00 N ATOM 1533 CA ASP A 103 21.950 -14.443 -17.774 1.00 0.00 C ATOM 1534 C ASP A 103 22.810 -13.936 -18.960 1.00 0.00 C ATOM 1535 O ASP A 103 23.476 -14.749 -19.610 1.00 0.00 O ATOM 1536 CB ASP A 103 22.832 -15.075 -16.677 1.00 0.00 C ATOM 1537 CG ASP A 103 23.162 -14.093 -15.547 1.00 0.00 C ATOM 1538 OD1 ASP A 103 22.242 -13.858 -14.726 1.00 0.00 O ATOM 1539 OD2 ASP A 103 24.310 -13.605 -15.460 1.00 0.00 O ATOM 0 H ASP A 103 21.161 -16.379 -18.029 1.00 0.00 H new ATOM 0 HA ASP A 103 21.439 -13.581 -17.345 1.00 0.00 H new ATOM 0 HB2 ASP A 103 22.321 -15.943 -16.261 1.00 0.00 H new ATOM 0 HB3 ASP A 103 23.759 -15.434 -17.124 1.00 0.00 H new ATOM 1544 N PRO A 104 22.823 -12.621 -19.265 1.00 0.00 N ATOM 1545 CA PRO A 104 23.503 -12.100 -20.459 1.00 0.00 C ATOM 1546 C PRO A 104 25.004 -11.801 -20.285 1.00 0.00 C ATOM 1547 O PRO A 104 25.686 -11.544 -21.276 1.00 0.00 O ATOM 1548 CB PRO A 104 22.719 -10.842 -20.813 1.00 0.00 C ATOM 1549 CG PRO A 104 22.304 -10.300 -19.445 1.00 0.00 C ATOM 1550 CD PRO A 104 21.971 -11.584 -18.687 1.00 0.00 C ATOM 0 HA PRO A 104 23.506 -12.855 -21.246 1.00 0.00 H new ATOM 0 HB2 PRO A 104 23.331 -10.126 -21.362 1.00 0.00 H new ATOM 0 HB3 PRO A 104 21.854 -11.067 -21.437 1.00 0.00 H new ATOM 0 HG2 PRO A 104 23.107 -9.740 -18.967 1.00 0.00 H new ATOM 0 HG3 PRO A 104 21.446 -9.631 -19.513 1.00 0.00 H new ATOM 0 HD2 PRO A 104 22.164 -11.469 -17.620 1.00 0.00 H new ATOM 0 HD3 PRO A 104 20.917 -11.839 -18.795 1.00 0.00 H new ATOM 1558 N ASP A 105 25.534 -11.827 -19.059 1.00 0.00 N ATOM 1559 CA ASP A 105 26.954 -11.619 -18.753 1.00 0.00 C ATOM 1560 C ASP A 105 27.893 -12.451 -19.656 1.00 0.00 C ATOM 1561 O ASP A 105 27.925 -13.684 -19.581 1.00 0.00 O ATOM 1562 CB ASP A 105 27.181 -11.978 -17.281 1.00 0.00 C ATOM 1563 CG ASP A 105 28.672 -12.016 -16.894 1.00 0.00 C ATOM 1564 OD1 ASP A 105 29.419 -11.082 -17.268 1.00 0.00 O ATOM 1565 OD2 ASP A 105 29.068 -12.975 -16.187 1.00 0.00 O ATOM 0 H ASP A 105 24.971 -11.998 -18.226 1.00 0.00 H new ATOM 0 HA ASP A 105 27.196 -10.574 -18.945 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.666 -11.252 -16.652 1.00 0.00 H new ATOM 0 HB3 ASP A 105 26.733 -12.951 -17.077 1.00 0.00 H new ATOM 1570 N GLY A 106 28.672 -11.758 -20.496 1.00 0.00 N ATOM 1571 CA GLY A 106 29.684 -12.368 -21.370 1.00 0.00 C ATOM 1572 C GLY A 106 29.155 -12.796 -22.745 1.00 0.00 C ATOM 1573 O GLY A 106 29.938 -13.239 -23.590 1.00 0.00 O ATOM 0 H GLY A 106 28.617 -10.744 -20.590 1.00 0.00 H new ATOM 0 HA2 GLY A 106 30.500 -11.659 -21.512 1.00 0.00 H new ATOM 0 HA3 GLY A 106 30.103 -13.240 -20.868 1.00 0.00 H new ATOM 1577 N GLN A 107 27.848 -12.652 -22.991 1.00 0.00 N ATOM 1578 CA GLN A 107 27.249 -12.806 -24.318 1.00 0.00 C ATOM 1579 C GLN A 107 27.494 -11.535 -25.160 1.00 0.00 C ATOM 1580 O GLN A 107 27.940 -10.506 -24.643 1.00 0.00 O ATOM 1581 CB GLN A 107 25.741 -13.109 -24.189 1.00 0.00 C ATOM 1582 CG GLN A 107 25.393 -14.304 -23.279 1.00 0.00 C ATOM 1583 CD GLN A 107 25.925 -15.654 -23.764 1.00 0.00 C ATOM 1584 OE1 GLN A 107 26.347 -15.842 -24.898 1.00 0.00 O ATOM 1585 NE2 GLN A 107 25.910 -16.665 -22.919 1.00 0.00 N ATOM 0 H GLN A 107 27.170 -12.423 -22.264 1.00 0.00 H new ATOM 0 HA GLN A 107 27.719 -13.647 -24.829 1.00 0.00 H new ATOM 0 HB2 GLN A 107 25.239 -12.221 -23.805 1.00 0.00 H new ATOM 0 HB3 GLN A 107 25.337 -13.299 -25.184 1.00 0.00 H new ATOM 0 HG2 GLN A 107 25.788 -14.111 -22.282 1.00 0.00 H new ATOM 0 HG3 GLN A 107 24.309 -14.368 -23.186 1.00 0.00 H new ATOM 0 HE21 GLN A 107 25.563 -16.531 -21.969 1.00 0.00 H new ATOM 0 HE22 GLN A 107 26.246 -17.582 -23.215 1.00 0.00 H new ATOM 1594 N SER A 108 27.202 -11.589 -26.463 1.00 0.00 N ATOM 1595 CA SER A 108 27.253 -10.401 -27.332 1.00 0.00 C ATOM 1596 C SER A 108 26.219 -9.346 -26.920 1.00 0.00 C ATOM 1597 O SER A 108 25.192 -9.653 -26.307 1.00 0.00 O ATOM 1598 CB SER A 108 27.074 -10.802 -28.802 1.00 0.00 C ATOM 1599 OG SER A 108 25.767 -11.310 -29.029 1.00 0.00 O ATOM 0 H SER A 108 26.926 -12.445 -26.944 1.00 0.00 H new ATOM 0 HA SER A 108 28.237 -9.948 -27.213 1.00 0.00 H new ATOM 0 HB2 SER A 108 27.250 -9.939 -29.444 1.00 0.00 H new ATOM 0 HB3 SER A 108 27.814 -11.556 -29.071 1.00 0.00 H new ATOM 0 HG SER A 108 25.672 -11.559 -29.972 1.00 0.00 H new ATOM 1605 N LEU A 109 26.462 -8.081 -27.285 1.00 0.00 N ATOM 1606 CA LEU A 109 25.567 -6.969 -26.934 1.00 0.00 C ATOM 1607 C LEU A 109 24.166 -7.163 -27.521 1.00 0.00 C ATOM 1608 O LEU A 109 23.192 -6.820 -26.869 1.00 0.00 O ATOM 1609 CB LEU A 109 26.197 -5.622 -27.342 1.00 0.00 C ATOM 1610 CG LEU A 109 27.143 -5.038 -26.271 1.00 0.00 C ATOM 1611 CD1 LEU A 109 28.401 -5.871 -26.027 1.00 0.00 C ATOM 1612 CD2 LEU A 109 27.585 -3.630 -26.670 1.00 0.00 C ATOM 0 H LEU A 109 27.278 -7.800 -27.828 1.00 0.00 H new ATOM 0 HA LEU A 109 25.442 -6.957 -25.851 1.00 0.00 H new ATOM 0 HB2 LEU A 109 26.751 -5.755 -28.271 1.00 0.00 H new ATOM 0 HB3 LEU A 109 25.402 -4.904 -27.544 1.00 0.00 H new ATOM 0 HG LEU A 109 26.563 -5.035 -25.348 1.00 0.00 H new ATOM 0 HD11 LEU A 109 29.011 -5.392 -25.261 1.00 0.00 H new ATOM 0 HD12 LEU A 109 28.117 -6.869 -25.693 1.00 0.00 H new ATOM 0 HD13 LEU A 109 28.973 -5.946 -26.952 1.00 0.00 H new ATOM 0 HD21 LEU A 109 28.252 -3.228 -25.907 1.00 0.00 H new ATOM 0 HD22 LEU A 109 28.109 -3.670 -27.625 1.00 0.00 H new ATOM 0 HD23 LEU A 109 26.710 -2.987 -26.763 1.00 0.00 H new ATOM 1624 N GLU A 110 24.024 -7.815 -28.672 1.00 0.00 N ATOM 1625 CA GLU A 110 22.716 -8.170 -29.250 1.00 0.00 C ATOM 1626 C GLU A 110 21.920 -9.165 -28.392 1.00 0.00 C ATOM 1627 O GLU A 110 20.704 -9.029 -28.251 1.00 0.00 O ATOM 1628 CB GLU A 110 22.932 -8.763 -30.643 1.00 0.00 C ATOM 1629 CG GLU A 110 23.466 -7.750 -31.669 1.00 0.00 C ATOM 1630 CD GLU A 110 22.462 -6.608 -31.926 1.00 0.00 C ATOM 1631 OE1 GLU A 110 21.565 -6.767 -32.792 1.00 0.00 O ATOM 1632 OE2 GLU A 110 22.562 -5.543 -31.266 1.00 0.00 O ATOM 0 H GLU A 110 24.815 -8.118 -29.240 1.00 0.00 H new ATOM 0 HA GLU A 110 22.127 -7.254 -29.296 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.632 -9.596 -30.569 1.00 0.00 H new ATOM 0 HB3 GLU A 110 21.988 -9.171 -31.005 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.407 -7.332 -31.311 1.00 0.00 H new ATOM 0 HG3 GLU A 110 23.681 -8.262 -32.607 1.00 0.00 H new ATOM 1639 N VAL A 111 22.586 -10.125 -27.744 1.00 0.00 N ATOM 1640 CA VAL A 111 21.942 -11.050 -26.792 1.00 0.00 C ATOM 1641 C VAL A 111 21.619 -10.325 -25.485 1.00 0.00 C ATOM 1642 O VAL A 111 20.544 -10.518 -24.917 1.00 0.00 O ATOM 1643 CB VAL A 111 22.818 -12.296 -26.558 1.00 0.00 C ATOM 1644 CG1 VAL A 111 22.241 -13.224 -25.480 1.00 0.00 C ATOM 1645 CG2 VAL A 111 22.940 -13.120 -27.847 1.00 0.00 C ATOM 0 H VAL A 111 23.586 -10.287 -27.861 1.00 0.00 H new ATOM 0 HA VAL A 111 21.001 -11.397 -27.220 1.00 0.00 H new ATOM 0 HB VAL A 111 23.789 -11.922 -26.233 1.00 0.00 H new ATOM 0 HG11 VAL A 111 22.896 -14.086 -25.354 1.00 0.00 H new ATOM 0 HG12 VAL A 111 22.167 -12.684 -24.536 1.00 0.00 H new ATOM 0 HG13 VAL A 111 21.250 -13.562 -25.783 1.00 0.00 H new ATOM 0 HG21 VAL A 111 23.562 -13.996 -27.662 1.00 0.00 H new ATOM 0 HG22 VAL A 111 21.949 -13.441 -28.169 1.00 0.00 H new ATOM 0 HG23 VAL A 111 23.395 -12.510 -28.627 1.00 0.00 H new ATOM 1655 N PHE A 112 22.495 -9.410 -25.060 1.00 0.00 N ATOM 1656 CA PHE A 112 22.280 -8.555 -23.877 1.00 0.00 C ATOM 1657 C PHE A 112 21.064 -7.631 -24.087 1.00 0.00 C ATOM 1658 O PHE A 112 20.217 -7.485 -23.207 1.00 0.00 O ATOM 1659 CB PHE A 112 23.591 -7.801 -23.550 1.00 0.00 C ATOM 1660 CG PHE A 112 23.913 -7.672 -22.078 1.00 0.00 C ATOM 1661 CD1 PHE A 112 23.036 -7.011 -21.200 1.00 0.00 C ATOM 1662 CD2 PHE A 112 25.089 -8.257 -21.572 1.00 0.00 C ATOM 1663 CE1 PHE A 112 23.336 -6.939 -19.829 1.00 0.00 C ATOM 1664 CE2 PHE A 112 25.383 -8.190 -20.204 1.00 0.00 C ATOM 1665 CZ PHE A 112 24.523 -7.507 -19.329 1.00 0.00 C ATOM 0 H PHE A 112 23.384 -9.236 -25.529 1.00 0.00 H new ATOM 0 HA PHE A 112 22.035 -9.163 -23.006 1.00 0.00 H new ATOM 0 HB2 PHE A 112 24.418 -8.313 -24.042 1.00 0.00 H new ATOM 0 HB3 PHE A 112 23.533 -6.802 -23.981 1.00 0.00 H new ATOM 0 HD1 PHE A 112 22.132 -6.559 -21.579 1.00 0.00 H new ATOM 0 HD2 PHE A 112 25.769 -8.761 -22.243 1.00 0.00 H new ATOM 0 HE1 PHE A 112 22.652 -6.445 -19.155 1.00 0.00 H new ATOM 0 HE2 PHE A 112 26.274 -8.665 -19.821 1.00 0.00 H new ATOM 0 HZ PHE A 112 24.770 -7.418 -18.281 1.00 0.00 H new ATOM 1675 N ARG A 113 20.912 -7.090 -25.302 1.00 0.00 N ATOM 1676 CA ARG A 113 19.744 -6.318 -25.769 1.00 0.00 C ATOM 1677 C ARG A 113 18.487 -7.189 -25.877 1.00 0.00 C ATOM 1678 O ARG A 113 17.437 -6.780 -25.393 1.00 0.00 O ATOM 1679 CB ARG A 113 20.100 -5.633 -27.109 1.00 0.00 C ATOM 1680 CG ARG A 113 21.150 -4.515 -26.946 1.00 0.00 C ATOM 1681 CD ARG A 113 21.789 -4.152 -28.292 1.00 0.00 C ATOM 1682 NE ARG A 113 22.773 -3.054 -28.168 1.00 0.00 N ATOM 1683 CZ ARG A 113 23.510 -2.569 -29.157 1.00 0.00 C ATOM 1684 NH1 ARG A 113 23.535 -3.115 -30.338 1.00 0.00 N ATOM 1685 NH2 ARG A 113 24.252 -1.512 -28.978 1.00 0.00 N ATOM 0 H ARG A 113 21.629 -7.180 -26.022 1.00 0.00 H new ATOM 0 HA ARG A 113 19.505 -5.550 -25.034 1.00 0.00 H new ATOM 0 HB2 ARG A 113 20.477 -6.381 -27.806 1.00 0.00 H new ATOM 0 HB3 ARG A 113 19.195 -5.215 -27.550 1.00 0.00 H new ATOM 0 HG2 ARG A 113 20.680 -3.632 -26.514 1.00 0.00 H new ATOM 0 HG3 ARG A 113 21.923 -4.838 -26.249 1.00 0.00 H new ATOM 0 HD2 ARG A 113 22.280 -5.032 -28.708 1.00 0.00 H new ATOM 0 HD3 ARG A 113 21.009 -3.860 -28.995 1.00 0.00 H new ATOM 0 HE ARG A 113 22.894 -2.636 -27.246 1.00 0.00 H new ATOM 0 HH11 ARG A 113 22.974 -3.946 -30.528 1.00 0.00 H new ATOM 0 HH12 ARG A 113 24.115 -2.712 -31.074 1.00 0.00 H new ATOM 0 HH21 ARG A 113 24.270 -1.049 -28.069 1.00 0.00 H new ATOM 0 HH22 ARG A 113 24.815 -1.148 -29.747 1.00 0.00 H new ATOM 1699 N THR A 114 18.602 -8.411 -26.402 1.00 0.00 N ATOM 1700 CA THR A 114 17.479 -9.368 -26.551 1.00 0.00 C ATOM 1701 C THR A 114 16.822 -9.691 -25.209 1.00 0.00 C ATOM 1702 O THR A 114 15.608 -9.528 -25.078 1.00 0.00 O ATOM 1703 CB THR A 114 17.920 -10.664 -27.260 1.00 0.00 C ATOM 1704 OG1 THR A 114 18.307 -10.374 -28.588 1.00 0.00 O ATOM 1705 CG2 THR A 114 16.807 -11.716 -27.356 1.00 0.00 C ATOM 0 H THR A 114 19.489 -8.779 -26.744 1.00 0.00 H new ATOM 0 HA THR A 114 16.736 -8.876 -27.179 1.00 0.00 H new ATOM 0 HB THR A 114 18.737 -11.063 -26.659 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.150 -9.874 -28.581 1.00 0.00 H new ATOM 0 HG21 THR A 114 17.186 -12.602 -27.866 1.00 0.00 H new ATOM 0 HG22 THR A 114 16.476 -11.988 -26.354 1.00 0.00 H new ATOM 0 HG23 THR A 114 15.967 -11.307 -27.917 1.00 0.00 H new ATOM 1713 N VAL A 115 17.589 -10.069 -24.174 1.00 0.00 N ATOM 1714 CA VAL A 115 16.990 -10.368 -22.867 1.00 0.00 C ATOM 1715 C VAL A 115 16.413 -9.112 -22.208 1.00 0.00 C ATOM 1716 O VAL A 115 15.370 -9.206 -21.574 1.00 0.00 O ATOM 1717 CB VAL A 115 17.938 -11.142 -21.936 1.00 0.00 C ATOM 1718 CG1 VAL A 115 18.433 -12.445 -22.573 1.00 0.00 C ATOM 1719 CG2 VAL A 115 19.144 -10.334 -21.460 1.00 0.00 C ATOM 0 H VAL A 115 18.603 -10.173 -24.215 1.00 0.00 H new ATOM 0 HA VAL A 115 16.153 -11.041 -23.055 1.00 0.00 H new ATOM 0 HB VAL A 115 17.327 -11.366 -21.062 1.00 0.00 H new ATOM 0 HG11 VAL A 115 19.100 -12.958 -21.880 1.00 0.00 H new ATOM 0 HG12 VAL A 115 17.581 -13.086 -22.799 1.00 0.00 H new ATOM 0 HG13 VAL A 115 18.971 -12.219 -23.493 1.00 0.00 H new ATOM 0 HG21 VAL A 115 19.762 -10.952 -20.808 1.00 0.00 H new ATOM 0 HG22 VAL A 115 19.731 -10.015 -22.321 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.801 -9.458 -20.910 1.00 0.00 H new ATOM 1729 N ARG A 116 16.982 -7.912 -22.422 1.00 0.00 N ATOM 1730 CA ARG A 116 16.390 -6.658 -21.888 1.00 0.00 C ATOM 1731 C ARG A 116 15.083 -6.262 -22.597 1.00 0.00 C ATOM 1732 O ARG A 116 14.182 -5.745 -21.951 1.00 0.00 O ATOM 1733 CB ARG A 116 17.463 -5.549 -21.776 1.00 0.00 C ATOM 1734 CG ARG A 116 17.386 -4.429 -22.829 1.00 0.00 C ATOM 1735 CD ARG A 116 18.697 -3.642 -22.839 1.00 0.00 C ATOM 1736 NE ARG A 116 18.641 -2.382 -23.616 1.00 0.00 N ATOM 1737 CZ ARG A 116 18.501 -2.176 -24.915 1.00 0.00 C ATOM 1738 NH1 ARG A 116 17.972 -3.043 -25.730 1.00 0.00 N ATOM 1739 NH2 ARG A 116 18.935 -1.062 -25.418 1.00 0.00 N ATOM 0 H ARG A 116 17.842 -7.777 -22.954 1.00 0.00 H new ATOM 0 HA ARG A 116 16.058 -6.836 -20.865 1.00 0.00 H new ATOM 0 HB2 ARG A 116 17.388 -5.097 -20.787 1.00 0.00 H new ATOM 0 HB3 ARG A 116 18.447 -6.014 -21.840 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.199 -4.855 -23.815 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.552 -3.763 -22.606 1.00 0.00 H new ATOM 0 HD2 ARG A 116 18.977 -3.410 -21.811 1.00 0.00 H new ATOM 0 HD3 ARG A 116 19.485 -4.274 -23.249 1.00 0.00 H new ATOM 0 HE ARG A 116 18.724 -1.533 -23.057 1.00 0.00 H new ATOM 0 HH11 ARG A 116 17.638 -3.939 -25.375 1.00 0.00 H new ATOM 0 HH12 ARG A 116 17.891 -2.826 -26.723 1.00 0.00 H new ATOM 0 HH21 ARG A 116 19.374 -0.367 -24.814 1.00 0.00 H new ATOM 0 HH22 ARG A 116 18.838 -0.881 -26.417 1.00 0.00 H new ATOM 1753 N GLY A 117 14.929 -6.594 -23.879 1.00 0.00 N ATOM 1754 CA GLY A 117 13.653 -6.468 -24.613 1.00 0.00 C ATOM 1755 C GLY A 117 12.572 -7.395 -24.048 1.00 0.00 C ATOM 1756 O GLY A 117 11.458 -6.957 -23.766 1.00 0.00 O ATOM 0 H GLY A 117 15.690 -6.963 -24.450 1.00 0.00 H new ATOM 0 HA2 GLY A 117 13.307 -5.436 -24.564 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.816 -6.700 -25.666 1.00 0.00 H new ATOM 1760 N GLN A 118 12.930 -8.649 -23.747 1.00 0.00 N ATOM 1761 CA GLN A 118 12.056 -9.582 -23.010 1.00 0.00 C ATOM 1762 C GLN A 118 11.739 -9.092 -21.595 1.00 0.00 C ATOM 1763 O GLN A 118 10.608 -9.233 -21.133 1.00 0.00 O ATOM 1764 CB GLN A 118 12.713 -10.958 -22.904 1.00 0.00 C ATOM 1765 CG GLN A 118 12.756 -11.710 -24.241 1.00 0.00 C ATOM 1766 CD GLN A 118 13.461 -13.052 -24.081 1.00 0.00 C ATOM 1767 OE1 GLN A 118 14.338 -13.429 -24.843 1.00 0.00 O ATOM 1768 NE2 GLN A 118 13.112 -13.814 -23.064 1.00 0.00 N ATOM 0 H GLN A 118 13.832 -9.049 -24.005 1.00 0.00 H new ATOM 0 HA GLN A 118 11.125 -9.642 -23.574 1.00 0.00 H new ATOM 0 HB2 GLN A 118 13.729 -10.841 -22.527 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.170 -11.558 -22.174 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.742 -11.868 -24.608 1.00 0.00 H new ATOM 0 HG3 GLN A 118 13.275 -11.107 -24.987 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.380 -13.506 -22.423 1.00 0.00 H new ATOM 0 HE22 GLN A 118 13.573 -14.712 -22.917 1.00 0.00 H new ATOM 1777 N VAL A 119 12.710 -8.485 -20.905 1.00 0.00 N ATOM 1778 CA VAL A 119 12.464 -7.858 -19.601 1.00 0.00 C ATOM 1779 C VAL A 119 11.420 -6.751 -19.753 1.00 0.00 C ATOM 1780 O VAL A 119 10.438 -6.785 -19.029 1.00 0.00 O ATOM 1781 CB VAL A 119 13.759 -7.309 -18.957 1.00 0.00 C ATOM 1782 CG1 VAL A 119 13.524 -6.345 -17.796 1.00 0.00 C ATOM 1783 CG2 VAL A 119 14.644 -8.425 -18.405 1.00 0.00 C ATOM 0 H VAL A 119 13.675 -8.414 -21.228 1.00 0.00 H new ATOM 0 HA VAL A 119 12.084 -8.626 -18.927 1.00 0.00 H new ATOM 0 HB VAL A 119 14.239 -6.779 -19.780 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.483 -6.008 -17.403 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.954 -5.485 -18.147 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.967 -6.853 -17.008 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.541 -7.993 -17.963 1.00 0.00 H new ATOM 0 HG22 VAL A 119 14.096 -8.981 -17.644 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.927 -9.099 -19.214 1.00 0.00 H new ATOM 1793 N LYS A 120 11.562 -5.816 -20.705 1.00 0.00 N ATOM 1794 CA LYS A 120 10.582 -4.734 -20.940 1.00 0.00 C ATOM 1795 C LYS A 120 9.165 -5.282 -21.130 1.00 0.00 C ATOM 1796 O LYS A 120 8.260 -4.908 -20.392 1.00 0.00 O ATOM 1797 CB LYS A 120 11.010 -3.892 -22.152 1.00 0.00 C ATOM 1798 CG LYS A 120 10.163 -2.612 -22.244 1.00 0.00 C ATOM 1799 CD LYS A 120 10.501 -1.771 -23.483 1.00 0.00 C ATOM 1800 CE LYS A 120 9.902 -2.323 -24.790 1.00 0.00 C ATOM 1801 NZ LYS A 120 8.441 -2.036 -24.917 1.00 0.00 N ATOM 0 H LYS A 120 12.361 -5.785 -21.338 1.00 0.00 H new ATOM 0 HA LYS A 120 10.563 -4.098 -20.055 1.00 0.00 H new ATOM 0 HB2 LYS A 120 12.065 -3.632 -22.067 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.898 -4.476 -23.066 1.00 0.00 H new ATOM 0 HG2 LYS A 120 9.107 -2.880 -22.268 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.319 -2.012 -21.348 1.00 0.00 H new ATOM 0 HD2 LYS A 120 10.140 -0.754 -23.330 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.584 -1.713 -23.587 1.00 0.00 H new ATOM 0 HE2 LYS A 120 10.429 -1.889 -25.639 1.00 0.00 H new ATOM 0 HE3 LYS A 120 10.062 -3.400 -24.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 8.055 -2.555 -25.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.951 -2.338 -24.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 8.299 -1.015 -25.058 1.00 0.00 H new ATOM 1815 N GLU A 121 9.014 -6.235 -22.052 1.00 0.00 N ATOM 1816 CA GLU A 121 7.758 -6.950 -22.346 1.00 0.00 C ATOM 1817 C GLU A 121 7.067 -7.470 -21.070 1.00 0.00 C ATOM 1818 O GLU A 121 5.856 -7.308 -20.899 1.00 0.00 O ATOM 1819 CB GLU A 121 8.103 -8.114 -23.301 1.00 0.00 C ATOM 1820 CG GLU A 121 6.946 -9.057 -23.650 1.00 0.00 C ATOM 1821 CD GLU A 121 7.453 -10.285 -24.435 1.00 0.00 C ATOM 1822 OE1 GLU A 121 7.841 -11.298 -23.800 1.00 0.00 O ATOM 1823 OE2 GLU A 121 7.459 -10.247 -25.688 1.00 0.00 O ATOM 0 H GLU A 121 9.788 -6.546 -22.639 1.00 0.00 H new ATOM 0 HA GLU A 121 7.049 -6.264 -22.809 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.497 -7.695 -24.227 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.903 -8.702 -22.852 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.450 -9.384 -22.736 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.203 -8.523 -24.242 1.00 0.00 H new ATOM 1830 N ARG A 122 7.845 -8.071 -20.160 1.00 0.00 N ATOM 1831 CA ARG A 122 7.333 -8.783 -18.975 1.00 0.00 C ATOM 1832 C ARG A 122 7.210 -7.857 -17.755 1.00 0.00 C ATOM 1833 O ARG A 122 6.273 -8.003 -16.977 1.00 0.00 O ATOM 1834 CB ARG A 122 8.162 -10.072 -18.790 1.00 0.00 C ATOM 1835 CG ARG A 122 7.965 -10.993 -20.010 1.00 0.00 C ATOM 1836 CD ARG A 122 8.924 -12.176 -20.137 1.00 0.00 C ATOM 1837 NE ARG A 122 8.832 -12.643 -21.532 1.00 0.00 N ATOM 1838 CZ ARG A 122 9.307 -13.714 -22.125 1.00 0.00 C ATOM 1839 NH1 ARG A 122 9.970 -14.656 -21.512 1.00 0.00 N ATOM 1840 NH2 ARG A 122 9.111 -13.808 -23.405 1.00 0.00 N ATOM 0 H ARG A 122 8.863 -8.078 -20.225 1.00 0.00 H new ATOM 0 HA ARG A 122 6.301 -9.105 -19.116 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.217 -9.824 -18.675 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.855 -10.587 -17.880 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.947 -11.381 -19.983 1.00 0.00 H new ATOM 0 HG3 ARG A 122 8.051 -10.387 -20.912 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.944 -11.876 -19.895 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.652 -12.972 -19.443 1.00 0.00 H new ATOM 0 HE ARG A 122 8.305 -12.023 -22.147 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.147 -14.586 -20.510 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.311 -15.463 -22.035 1.00 0.00 H new ATOM 0 HH21 ARG A 122 8.609 -13.070 -23.900 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.459 -14.619 -23.916 1.00 0.00 H new ATOM 1854 N VAL A 123 8.043 -6.818 -17.663 1.00 0.00 N ATOM 1855 CA VAL A 123 7.915 -5.716 -16.689 1.00 0.00 C ATOM 1856 C VAL A 123 6.626 -4.949 -16.953 1.00 0.00 C ATOM 1857 O VAL A 123 5.883 -4.724 -16.004 1.00 0.00 O ATOM 1858 CB VAL A 123 9.073 -4.705 -16.787 1.00 0.00 C ATOM 1859 CG1 VAL A 123 8.766 -3.429 -16.001 1.00 0.00 C ATOM 1860 CG2 VAL A 123 10.384 -5.233 -16.207 1.00 0.00 C ATOM 0 H VAL A 123 8.850 -6.711 -18.278 1.00 0.00 H new ATOM 0 HA VAL A 123 7.924 -6.172 -15.699 1.00 0.00 H new ATOM 0 HB VAL A 123 9.178 -4.518 -17.856 1.00 0.00 H new ATOM 0 HG11 VAL A 123 9.603 -2.736 -16.090 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.865 -2.963 -16.401 1.00 0.00 H new ATOM 0 HG13 VAL A 123 8.611 -3.677 -14.951 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.159 -4.473 -16.307 1.00 0.00 H new ATOM 0 HG22 VAL A 123 10.245 -5.473 -15.153 1.00 0.00 H new ATOM 0 HG23 VAL A 123 10.685 -6.131 -16.747 1.00 0.00 H new ATOM 1870 N GLU A 124 6.366 -4.539 -18.203 1.00 0.00 N ATOM 1871 CA GLU A 124 5.156 -3.788 -18.571 1.00 0.00 C ATOM 1872 C GLU A 124 3.920 -4.553 -18.090 1.00 0.00 C ATOM 1873 O GLU A 124 3.162 -4.055 -17.266 1.00 0.00 O ATOM 1874 CB GLU A 124 5.082 -3.572 -20.099 1.00 0.00 C ATOM 1875 CG GLU A 124 5.989 -2.455 -20.644 1.00 0.00 C ATOM 1876 CD GLU A 124 5.778 -2.278 -22.163 1.00 0.00 C ATOM 1877 OE1 GLU A 124 4.787 -1.620 -22.565 1.00 0.00 O ATOM 1878 OE2 GLU A 124 6.606 -2.772 -22.968 1.00 0.00 O ATOM 0 H GLU A 124 6.990 -4.719 -18.989 1.00 0.00 H new ATOM 0 HA GLU A 124 5.193 -2.809 -18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 124 5.344 -4.506 -20.596 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.051 -3.346 -20.369 1.00 0.00 H new ATOM 0 HG2 GLU A 124 5.772 -1.519 -20.129 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.033 -2.695 -20.442 1.00 0.00 H new ATOM 1885 N ASN A 125 3.807 -5.816 -18.506 1.00 0.00 N ATOM 1886 CA ASN A 125 2.777 -6.771 -18.094 1.00 0.00 C ATOM 1887 C ASN A 125 2.620 -6.880 -16.560 1.00 0.00 C ATOM 1888 O ASN A 125 1.498 -6.997 -16.086 1.00 0.00 O ATOM 1889 CB ASN A 125 3.154 -8.118 -18.758 1.00 0.00 C ATOM 1890 CG ASN A 125 2.148 -9.256 -18.627 1.00 0.00 C ATOM 1891 OD1 ASN A 125 1.059 -9.138 -18.080 1.00 0.00 O ATOM 1892 ND2 ASN A 125 2.488 -10.414 -19.146 1.00 0.00 N ATOM 0 H ASN A 125 4.464 -6.220 -19.173 1.00 0.00 H new ATOM 0 HA ASN A 125 1.793 -6.436 -18.422 1.00 0.00 H new ATOM 0 HB2 ASN A 125 3.325 -7.937 -19.819 1.00 0.00 H new ATOM 0 HB3 ASN A 125 4.101 -8.452 -18.334 1.00 0.00 H new ATOM 0 HD21 ASN A 125 1.847 -11.205 -19.091 1.00 0.00 H new ATOM 0 HD22 ASN A 125 3.393 -10.522 -19.604 1.00 0.00 H new ATOM 1899 N LEU A 126 3.704 -6.799 -15.776 1.00 0.00 N ATOM 1900 CA LEU A 126 3.681 -6.923 -14.311 1.00 0.00 C ATOM 1901 C LEU A 126 3.358 -5.605 -13.589 1.00 0.00 C ATOM 1902 O LEU A 126 2.347 -5.509 -12.896 1.00 0.00 O ATOM 1903 CB LEU A 126 5.027 -7.533 -13.870 1.00 0.00 C ATOM 1904 CG LEU A 126 5.145 -8.082 -12.437 1.00 0.00 C ATOM 1905 CD1 LEU A 126 5.420 -7.012 -11.386 1.00 0.00 C ATOM 1906 CD2 LEU A 126 3.925 -8.895 -12.008 1.00 0.00 C ATOM 0 H LEU A 126 4.640 -6.642 -16.149 1.00 0.00 H new ATOM 0 HA LEU A 126 2.863 -7.582 -14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.265 -8.345 -14.558 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.795 -6.771 -13.998 1.00 0.00 H new ATOM 0 HG LEU A 126 6.013 -8.739 -12.486 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.490 -7.477 -10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.359 -6.508 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.608 -6.284 -11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.068 -9.255 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.036 -8.266 -12.049 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.800 -9.745 -12.679 1.00 0.00 H new ATOM 1918 N ILE A 127 4.194 -4.576 -13.754 1.00 0.00 N ATOM 1919 CA ILE A 127 4.078 -3.265 -13.106 1.00 0.00 C ATOM 1920 C ILE A 127 2.732 -2.600 -13.415 1.00 0.00 C ATOM 1921 O ILE A 127 2.128 -1.966 -12.555 1.00 0.00 O ATOM 1922 CB ILE A 127 5.304 -2.416 -13.542 1.00 0.00 C ATOM 1923 CG1 ILE A 127 5.918 -1.606 -12.388 1.00 0.00 C ATOM 1924 CG2 ILE A 127 5.083 -1.543 -14.787 1.00 0.00 C ATOM 1925 CD1 ILE A 127 4.963 -0.650 -11.673 1.00 0.00 C ATOM 0 H ILE A 127 5.005 -4.636 -14.369 1.00 0.00 H new ATOM 0 HA ILE A 127 4.090 -3.367 -12.021 1.00 0.00 H new ATOM 0 HB ILE A 127 6.034 -3.167 -13.844 1.00 0.00 H new ATOM 0 HG12 ILE A 127 6.324 -2.302 -11.654 1.00 0.00 H new ATOM 0 HG13 ILE A 127 6.757 -1.029 -12.778 1.00 0.00 H new ATOM 0 HG21 ILE A 127 5.995 -0.990 -15.010 1.00 0.00 H new ATOM 0 HG22 ILE A 127 4.827 -2.177 -15.635 1.00 0.00 H new ATOM 0 HG23 ILE A 127 4.270 -0.842 -14.600 1.00 0.00 H new ATOM 0 HD11 ILE A 127 5.497 -0.130 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 127 4.575 0.077 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 127 4.135 -1.215 -11.245 1.00 0.00 H new ATOM 1937 N ALA A 128 2.199 -2.835 -14.612 1.00 0.00 N ATOM 1938 CA ALA A 128 0.938 -2.250 -15.065 1.00 0.00 C ATOM 1939 C ALA A 128 -0.312 -2.856 -14.377 1.00 0.00 C ATOM 1940 O ALA A 128 -1.400 -2.287 -14.483 1.00 0.00 O ATOM 1941 CB ALA A 128 0.903 -2.293 -16.598 1.00 0.00 C ATOM 0 H ALA A 128 2.636 -3.445 -15.304 1.00 0.00 H new ATOM 0 HA ALA A 128 0.896 -1.207 -14.752 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.032 -1.860 -16.953 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.742 -1.723 -16.997 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.975 -3.327 -16.935 1.00 0.00 H new ATOM 1947 N LYS A 129 -0.168 -3.965 -13.624 1.00 0.00 N ATOM 1948 CA LYS A 129 -1.216 -4.521 -12.736 1.00 0.00 C ATOM 1949 C LYS A 129 -1.299 -3.780 -11.391 1.00 0.00 C ATOM 1950 O LYS A 129 -2.319 -3.853 -10.708 1.00 0.00 O ATOM 1951 CB LYS A 129 -0.968 -6.020 -12.477 1.00 0.00 C ATOM 1952 CG LYS A 129 -0.949 -6.838 -13.772 1.00 0.00 C ATOM 1953 CD LYS A 129 -0.849 -8.353 -13.515 1.00 0.00 C ATOM 1954 CE LYS A 129 -0.221 -9.114 -14.696 1.00 0.00 C ATOM 1955 NZ LYS A 129 -0.944 -8.916 -15.985 1.00 0.00 N ATOM 0 H LYS A 129 0.694 -4.511 -13.614 1.00 0.00 H new ATOM 0 HA LYS A 129 -2.166 -4.386 -13.253 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -0.018 -6.144 -11.957 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -1.745 -6.406 -11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -1.854 -6.629 -14.342 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -0.105 -6.521 -14.385 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -0.254 -8.527 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.845 -8.751 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.813 -8.792 -14.816 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -0.199 -10.178 -14.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.262 -8.922 -16.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -1.632 -9.684 -16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -1.443 -8.004 -15.967 1.00 0.00 H new ATOM 1969 N ILE A 130 -0.224 -3.073 -11.028 1.00 0.00 N ATOM 1970 CA ILE A 130 -0.020 -2.343 -9.764 1.00 0.00 C ATOM 1971 C ILE A 130 0.265 -0.844 -10.013 1.00 0.00 C ATOM 1972 O ILE A 130 0.937 -0.179 -9.224 1.00 0.00 O ATOM 1973 CB ILE A 130 1.018 -3.073 -8.869 1.00 0.00 C ATOM 1974 CG1 ILE A 130 2.383 -3.286 -9.568 1.00 0.00 C ATOM 1975 CG2 ILE A 130 0.424 -4.414 -8.399 1.00 0.00 C ATOM 1976 CD1 ILE A 130 3.455 -3.961 -8.713 1.00 0.00 C ATOM 0 H ILE A 130 0.582 -2.987 -11.647 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.947 -2.348 -9.190 1.00 0.00 H new ATOM 0 HB ILE A 130 1.223 -2.434 -8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 130 2.224 -3.887 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 130 2.760 -2.317 -9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 130 1.148 -4.932 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.486 -4.229 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.189 -5.032 -9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 130 4.372 -4.064 -9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.651 -3.354 -7.829 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.108 -4.947 -8.406 1.00 0.00 H new ATOM 1988 N SER A 131 -0.268 -0.322 -11.130 1.00 0.00 N ATOM 1989 CA SER A 131 -0.175 1.069 -11.606 1.00 0.00 C ATOM 1990 C SER A 131 -1.565 1.638 -11.927 1.00 0.00 C ATOM 1991 O SER A 131 -2.344 0.980 -12.654 1.00 0.00 O ATOM 1992 CB SER A 131 0.738 1.101 -12.830 1.00 0.00 C ATOM 1993 OG SER A 131 0.965 2.442 -13.232 1.00 0.00 O ATOM 1994 OXT SER A 131 -1.888 2.742 -11.426 1.00 0.00 O ATOM 0 H SER A 131 -0.813 -0.901 -11.769 1.00 0.00 H new ATOM 0 HA SER A 131 0.247 1.699 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 131 1.687 0.617 -12.599 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.284 0.540 -13.647 1.00 0.00 H new ATOM 0 HG SER A 131 1.552 2.453 -14.016 1.00 0.00 H new TER 2000 SER A 131