USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 SER OG : rot 160:sc= -7.1! USER MOD Set 1.2: A 91 HIS :FLIP no HD1:sc= -9.61! C(o=-18!,f=-17!) USER MOD Set 2.1: A 29 CYS SG : rot -151:sc= 1.66 USER MOD Set 2.2: A 33 THR OG1 : rot 152:sc= 0.421 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.12 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -40:sc= 1.18 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.97) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.517 F(o=-1.4!,f=-0.52) USER MOD Single : A 32 HIS : no HD1:sc= -3.19 X(o=-3.2,f=-2.7) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= -0.0148 (180deg=-0.155) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot -170:sc= -0.685 USER MOD Single : A 42 SER OG : rot -67:sc= 1.21 USER MOD Single : A 51 GLN : amide:sc=-0.00918 X(o=-0.0092,f=-0.049) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -137:sc= -0.809! (180deg=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ -114:sc= -0.684 (180deg=-3.77!) USER MOD Single : A 65 MET CE :methyl -114:sc= -4.37! (180deg=-7.99!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc=-0.000389 X(o=-0.00039,f=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -3.16! C(o=-3.9!,f=-3.2!) USER MOD Single : A 76 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.9!) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.99 F(o=-3.2,f=-2) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -148:sc= -2.22 (180deg=-3.91!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 96 SER OG : rot -75:sc= 1.01 USER MOD Single : A 97 GLN : amide:sc=-0.00525 K(o=-0.0053,f=-1.5!) USER MOD Single : A 99 MET CE :methyl -174:sc= 0 (180deg=-0.0634) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0148 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.619 21.514 -5.861 1.00 0.00 N ATOM 2 CA GLY A 1 1.434 21.035 -6.552 1.00 0.00 C ATOM 3 C GLY A 1 0.312 22.074 -6.501 1.00 0.00 C ATOM 4 O GLY A 1 0.486 23.153 -5.937 1.00 0.00 O ATOM 0 H1 GLY A 1 3.433 21.488 -6.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.463 22.491 -5.541 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.811 20.907 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.680 20.811 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.094 20.105 -6.097 1.00 0.00 H new ATOM 8 N SER A 2 -0.815 21.712 -7.097 1.00 0.00 N ATOM 9 CA SER A 2 -1.965 22.600 -7.126 1.00 0.00 C ATOM 10 C SER A 2 -2.862 22.334 -5.916 1.00 0.00 C ATOM 11 O SER A 2 -3.081 23.223 -5.094 1.00 0.00 O ATOM 12 CB SER A 2 -2.759 22.430 -8.423 1.00 0.00 C ATOM 13 OG SER A 2 -1.995 22.796 -9.569 1.00 0.00 O ATOM 0 H SER A 2 -0.956 20.816 -7.563 1.00 0.00 H new ATOM 0 HA SER A 2 -1.605 23.628 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.080 21.393 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.661 23.040 -8.379 1.00 0.00 H new ATOM 0 HG SER A 2 -2.536 22.672 -10.376 1.00 0.00 H new ATOM 19 N SER A 3 -3.356 21.107 -5.844 1.00 0.00 N ATOM 20 CA SER A 3 -4.224 20.713 -4.747 1.00 0.00 C ATOM 21 C SER A 3 -5.411 21.673 -4.648 1.00 0.00 C ATOM 22 O SER A 3 -5.437 22.704 -5.319 1.00 0.00 O ATOM 23 CB SER A 3 -3.458 20.678 -3.423 1.00 0.00 C ATOM 24 OG SER A 3 -3.383 21.965 -2.815 1.00 0.00 O ATOM 0 H SER A 3 -3.172 20.372 -6.527 1.00 0.00 H new ATOM 0 HA SER A 3 -4.594 19.708 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.946 19.982 -2.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.451 20.300 -3.597 1.00 0.00 H new ATOM 0 HG SER A 3 -3.229 22.644 -3.505 1.00 0.00 H new ATOM 30 N GLY A 4 -6.364 21.301 -3.806 1.00 0.00 N ATOM 31 CA GLY A 4 -7.550 22.117 -3.611 1.00 0.00 C ATOM 32 C GLY A 4 -7.286 23.236 -2.601 1.00 0.00 C ATOM 33 O GLY A 4 -6.632 23.016 -1.583 1.00 0.00 O ATOM 0 H GLY A 4 -6.339 20.445 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.860 22.547 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.372 21.493 -3.261 1.00 0.00 H new ATOM 37 N SER A 5 -7.809 24.411 -2.919 1.00 0.00 N ATOM 38 CA SER A 5 -7.638 25.565 -2.052 1.00 0.00 C ATOM 39 C SER A 5 -8.997 26.030 -1.526 1.00 0.00 C ATOM 40 O SER A 5 -9.416 27.157 -1.788 1.00 0.00 O ATOM 41 CB SER A 5 -6.935 26.707 -2.788 1.00 0.00 C ATOM 42 OG SER A 5 -5.960 27.349 -1.969 1.00 0.00 O ATOM 0 H SER A 5 -8.351 24.589 -3.764 1.00 0.00 H new ATOM 0 HA SER A 5 -7.011 25.271 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.455 26.319 -3.686 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.675 27.439 -3.113 1.00 0.00 H new ATOM 0 HG SER A 5 -5.532 28.071 -2.475 1.00 0.00 H new ATOM 48 N SER A 6 -9.649 25.139 -0.794 1.00 0.00 N ATOM 49 CA SER A 6 -10.953 25.444 -0.228 1.00 0.00 C ATOM 50 C SER A 6 -10.853 25.537 1.296 1.00 0.00 C ATOM 51 O SER A 6 -11.096 26.596 1.873 1.00 0.00 O ATOM 52 CB SER A 6 -11.987 24.390 -0.629 1.00 0.00 C ATOM 53 OG SER A 6 -12.415 24.549 -1.979 1.00 0.00 O ATOM 0 H SER A 6 -9.299 24.205 -0.579 1.00 0.00 H new ATOM 0 HA SER A 6 -11.282 26.405 -0.623 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.560 23.395 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.849 24.457 0.035 1.00 0.00 H new ATOM 0 HG SER A 6 -13.073 23.857 -2.197 1.00 0.00 H new ATOM 59 N GLY A 7 -10.496 24.416 1.903 1.00 0.00 N ATOM 60 CA GLY A 7 -10.362 24.358 3.349 1.00 0.00 C ATOM 61 C GLY A 7 -8.933 23.988 3.752 1.00 0.00 C ATOM 62 O GLY A 7 -8.017 24.051 2.934 1.00 0.00 O ATOM 0 H GLY A 7 -10.295 23.540 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.628 25.323 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.059 23.624 3.753 1.00 0.00 H new ATOM 66 N VAL A 8 -8.787 23.612 5.014 1.00 0.00 N ATOM 67 CA VAL A 8 -7.485 23.233 5.536 1.00 0.00 C ATOM 68 C VAL A 8 -7.667 22.517 6.876 1.00 0.00 C ATOM 69 O VAL A 8 -8.595 22.818 7.625 1.00 0.00 O ATOM 70 CB VAL A 8 -6.582 24.464 5.634 1.00 0.00 C ATOM 71 CG1 VAL A 8 -6.996 25.356 6.806 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.111 24.057 5.748 1.00 0.00 C ATOM 0 H VAL A 8 -9.549 23.562 5.690 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.990 22.536 4.859 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.700 25.040 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.338 26.224 6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.025 25.688 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.921 24.793 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.490 24.951 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.970 23.448 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.823 23.482 4.868 1.00 0.00 H new ATOM 82 N ILE A 9 -6.766 21.581 7.138 1.00 0.00 N ATOM 83 CA ILE A 9 -6.815 20.820 8.375 1.00 0.00 C ATOM 84 C ILE A 9 -8.210 20.216 8.541 1.00 0.00 C ATOM 85 O ILE A 9 -9.049 20.769 9.250 1.00 0.00 O ATOM 86 CB ILE A 9 -6.375 21.687 9.556 1.00 0.00 C ATOM 87 CG1 ILE A 9 -4.910 22.106 9.413 1.00 0.00 C ATOM 88 CG2 ILE A 9 -6.641 20.979 10.885 1.00 0.00 C ATOM 89 CD1 ILE A 9 -4.663 23.467 10.067 1.00 0.00 C ATOM 0 H ILE A 9 -5.998 21.332 6.515 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.110 19.990 8.340 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.973 22.599 9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.267 21.356 9.873 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.642 22.152 8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.319 21.617 11.708 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.707 20.774 10.981 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.087 20.041 10.915 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.614 23.741 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.290 24.220 9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.908 23.411 11.128 1.00 0.00 H new ATOM 101 N GLU A 10 -8.416 19.088 7.877 1.00 0.00 N ATOM 102 CA GLU A 10 -9.695 18.403 7.942 1.00 0.00 C ATOM 103 C GLU A 10 -9.586 17.013 7.313 1.00 0.00 C ATOM 104 O GLU A 10 -9.242 16.884 6.139 1.00 0.00 O ATOM 105 CB GLU A 10 -10.793 19.226 7.266 1.00 0.00 C ATOM 106 CG GLU A 10 -11.545 20.083 8.287 1.00 0.00 C ATOM 107 CD GLU A 10 -13.053 19.843 8.198 1.00 0.00 C ATOM 108 OE1 GLU A 10 -13.527 18.934 8.914 1.00 0.00 O ATOM 109 OE2 GLU A 10 -13.699 20.575 7.418 1.00 0.00 O ATOM 0 H GLU A 10 -7.717 18.631 7.291 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.968 18.285 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.353 19.867 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.492 18.560 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.194 19.849 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.330 21.137 8.112 1.00 0.00 H new ATOM 116 N SER A 11 -9.885 16.007 8.122 1.00 0.00 N ATOM 117 CA SER A 11 -9.824 14.631 7.660 1.00 0.00 C ATOM 118 C SER A 11 -8.497 14.378 6.941 1.00 0.00 C ATOM 119 O SER A 11 -8.391 14.591 5.734 1.00 0.00 O ATOM 120 CB SER A 11 -10.999 14.309 6.735 1.00 0.00 C ATOM 121 OG SER A 11 -12.246 14.345 7.423 1.00 0.00 O ATOM 0 H SER A 11 -10.170 16.118 9.095 1.00 0.00 H new ATOM 0 HA SER A 11 -9.889 13.975 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.019 15.023 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.855 13.321 6.297 1.00 0.00 H new ATOM 0 HG SER A 11 -12.971 14.136 6.798 1.00 0.00 H new ATOM 127 N GLU A 12 -7.519 13.929 7.713 1.00 0.00 N ATOM 128 CA GLU A 12 -6.203 13.646 7.164 1.00 0.00 C ATOM 129 C GLU A 12 -5.787 12.212 7.498 1.00 0.00 C ATOM 130 O GLU A 12 -6.542 11.473 8.129 1.00 0.00 O ATOM 131 CB GLU A 12 -5.168 14.650 7.675 1.00 0.00 C ATOM 132 CG GLU A 12 -5.080 14.617 9.202 1.00 0.00 C ATOM 133 CD GLU A 12 -3.735 14.051 9.661 1.00 0.00 C ATOM 134 OE1 GLU A 12 -3.652 12.809 9.776 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.820 14.872 9.887 1.00 0.00 O ATOM 0 H GLU A 12 -7.611 13.754 8.714 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.253 13.747 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.192 14.422 7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.435 15.654 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.210 15.624 9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.891 14.009 9.604 1.00 0.00 H new ATOM 142 N THR A 13 -4.587 11.861 7.059 1.00 0.00 N ATOM 143 CA THR A 13 -4.061 10.528 7.304 1.00 0.00 C ATOM 144 C THR A 13 -2.601 10.605 7.753 1.00 0.00 C ATOM 145 O THR A 13 -1.847 11.456 7.283 1.00 0.00 O ATOM 146 CB THR A 13 -4.263 9.700 6.033 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.586 9.187 6.159 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.380 8.451 6.002 1.00 0.00 C ATOM 0 H THR A 13 -3.964 12.476 6.535 1.00 0.00 H new ATOM 0 HA THR A 13 -4.593 10.036 8.118 1.00 0.00 H new ATOM 0 HB THR A 13 -4.050 10.317 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.800 8.639 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.562 7.899 5.080 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.332 8.745 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.616 7.817 6.857 1.00 0.00 H new ATOM 156 N LEU A 14 -2.246 9.705 8.659 1.00 0.00 N ATOM 157 CA LEU A 14 -0.889 9.661 9.177 1.00 0.00 C ATOM 158 C LEU A 14 -0.152 8.468 8.563 1.00 0.00 C ATOM 159 O LEU A 14 -0.737 7.403 8.376 1.00 0.00 O ATOM 160 CB LEU A 14 -0.900 9.656 10.707 1.00 0.00 C ATOM 161 CG LEU A 14 -1.693 10.781 11.376 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.426 10.271 12.618 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.789 11.974 11.693 1.00 0.00 C ATOM 0 H LEU A 14 -2.874 9.001 9.047 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.341 10.558 8.888 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.305 8.702 11.044 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.131 9.706 11.058 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.452 11.129 10.675 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.982 11.090 13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.117 9.478 12.333 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.702 9.881 13.333 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.377 12.760 12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.007 11.658 12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.352 12.355 10.770 1.00 0.00 H new ATOM 175 N ILE A 15 1.120 8.688 8.268 1.00 0.00 N ATOM 176 CA ILE A 15 1.943 7.645 7.680 1.00 0.00 C ATOM 177 C ILE A 15 1.997 6.447 8.630 1.00 0.00 C ATOM 178 O ILE A 15 1.961 5.299 8.190 1.00 0.00 O ATOM 179 CB ILE A 15 3.321 8.196 7.306 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.099 7.194 6.450 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.102 8.612 8.554 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.500 7.718 6.130 1.00 0.00 C ATOM 0 H ILE A 15 1.601 9.573 8.425 1.00 0.00 H new ATOM 0 HA ILE A 15 1.502 7.293 6.747 1.00 0.00 H new ATOM 0 HB ILE A 15 3.178 9.092 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.174 6.242 6.976 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.557 7.004 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.077 9.000 8.260 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.550 9.385 9.088 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.236 7.748 9.204 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.032 6.987 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.421 8.657 5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.047 7.884 7.058 1.00 0.00 H new ATOM 194 N GLU A 16 2.082 6.756 9.916 1.00 0.00 N ATOM 195 CA GLU A 16 2.141 5.718 10.932 1.00 0.00 C ATOM 196 C GLU A 16 0.813 4.961 10.995 1.00 0.00 C ATOM 197 O GLU A 16 0.710 3.937 11.668 1.00 0.00 O ATOM 198 CB GLU A 16 2.502 6.308 12.297 1.00 0.00 C ATOM 199 CG GLU A 16 3.827 7.069 12.232 1.00 0.00 C ATOM 200 CD GLU A 16 4.039 7.909 13.494 1.00 0.00 C ATOM 201 OE1 GLU A 16 3.130 8.710 13.802 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.105 7.731 14.122 1.00 0.00 O ATOM 0 H GLU A 16 2.111 7.709 10.277 1.00 0.00 H new ATOM 0 HA GLU A 16 2.926 5.013 10.659 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.709 6.979 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.573 5.509 13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.650 6.364 12.117 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.837 7.716 11.354 1.00 0.00 H new ATOM 209 N ASP A 17 -0.170 5.494 10.284 1.00 0.00 N ATOM 210 CA ASP A 17 -1.487 4.881 10.251 1.00 0.00 C ATOM 211 C ASP A 17 -1.634 4.069 8.963 1.00 0.00 C ATOM 212 O ASP A 17 -2.450 3.151 8.894 1.00 0.00 O ATOM 213 CB ASP A 17 -2.589 5.943 10.269 1.00 0.00 C ATOM 214 CG ASP A 17 -3.466 5.943 11.522 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.886 5.809 12.621 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.697 6.076 11.353 1.00 0.00 O ATOM 0 H ASP A 17 -0.081 6.343 9.726 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.585 4.244 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.128 6.925 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.227 5.798 9.397 1.00 0.00 H new ATOM 221 N VAL A 18 -0.831 4.435 7.975 1.00 0.00 N ATOM 222 CA VAL A 18 -0.862 3.751 6.693 1.00 0.00 C ATOM 223 C VAL A 18 0.235 2.685 6.663 1.00 0.00 C ATOM 224 O VAL A 18 0.157 1.732 5.889 1.00 0.00 O ATOM 225 CB VAL A 18 -0.741 4.767 5.555 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.783 4.071 4.193 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.829 5.838 5.658 1.00 0.00 C ATOM 0 H VAL A 18 -0.155 5.196 8.036 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.815 3.241 6.554 1.00 0.00 H new ATOM 0 HB VAL A 18 0.226 5.262 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.695 4.815 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.044 3.364 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.727 3.537 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.720 6.547 4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.810 5.366 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.733 6.364 6.608 1.00 0.00 H new ATOM 237 N LEU A 19 1.231 2.882 7.513 1.00 0.00 N ATOM 238 CA LEU A 19 2.342 1.949 7.593 1.00 0.00 C ATOM 239 C LEU A 19 2.048 0.904 8.671 1.00 0.00 C ATOM 240 O LEU A 19 2.400 -0.265 8.519 1.00 0.00 O ATOM 241 CB LEU A 19 3.658 2.700 7.808 1.00 0.00 C ATOM 242 CG LEU A 19 4.287 3.321 6.559 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.263 2.348 5.895 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.210 3.807 5.586 1.00 0.00 C ATOM 0 H LEU A 19 1.292 3.674 8.153 1.00 0.00 H new ATOM 0 HA LEU A 19 2.458 1.413 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.486 3.492 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.378 2.011 8.250 1.00 0.00 H new ATOM 0 HG LEU A 19 4.862 4.195 6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.696 2.814 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.058 2.094 6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.732 1.441 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.684 4.244 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.588 2.965 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.590 4.558 6.075 1.00 0.00 H new ATOM 256 N ARG A 20 1.406 1.362 9.735 1.00 0.00 N ATOM 257 CA ARG A 20 1.061 0.481 10.838 1.00 0.00 C ATOM 258 C ARG A 20 0.490 -0.836 10.306 1.00 0.00 C ATOM 259 O ARG A 20 0.941 -1.913 10.693 1.00 0.00 O ATOM 260 CB ARG A 20 0.036 1.135 11.766 1.00 0.00 C ATOM 261 CG ARG A 20 0.660 1.473 13.121 1.00 0.00 C ATOM 262 CD ARG A 20 0.999 0.201 13.901 1.00 0.00 C ATOM 263 NE ARG A 20 1.703 0.548 15.155 1.00 0.00 N ATOM 264 CZ ARG A 20 1.842 -0.286 16.195 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.328 -1.522 16.135 1.00 0.00 N ATOM 266 NH2 ARG A 20 2.496 0.115 17.293 1.00 0.00 N ATOM 0 H ARG A 20 1.115 2.332 9.857 1.00 0.00 H new ATOM 0 HA ARG A 20 1.972 0.285 11.403 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.351 2.043 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.811 0.464 11.909 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.564 2.064 12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.030 2.086 13.700 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.086 -0.351 14.127 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.624 -0.453 13.293 1.00 0.00 H new ATOM 0 HE ARG A 20 2.108 1.481 15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.831 -1.828 15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.433 -2.157 16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.888 1.055 17.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.602 -0.520 18.084 1.00 0.00 H new ATOM 280 N PRO A 21 -0.520 -0.702 9.405 1.00 0.00 N ATOM 281 CA PRO A 21 -1.157 -1.868 8.817 1.00 0.00 C ATOM 282 C PRO A 21 -0.255 -2.512 7.763 1.00 0.00 C ATOM 283 O PRO A 21 0.007 -3.713 7.814 1.00 0.00 O ATOM 284 CB PRO A 21 -2.467 -1.353 8.244 1.00 0.00 C ATOM 285 CG PRO A 21 -2.304 0.153 8.120 1.00 0.00 C ATOM 286 CD PRO A 21 -1.080 0.557 8.925 1.00 0.00 C ATOM 0 HA PRO A 21 -1.340 -2.659 9.544 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.673 -1.805 7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.304 -1.603 8.896 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.185 0.439 7.075 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.192 0.665 8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.363 1.100 8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.349 1.212 9.754 1.00 0.00 H new ATOM 294 N LEU A 22 0.197 -1.685 6.831 1.00 0.00 N ATOM 295 CA LEU A 22 1.064 -2.159 5.766 1.00 0.00 C ATOM 296 C LEU A 22 2.190 -3.002 6.368 1.00 0.00 C ATOM 297 O LEU A 22 2.583 -4.018 5.797 1.00 0.00 O ATOM 298 CB LEU A 22 1.560 -0.987 4.917 1.00 0.00 C ATOM 299 CG LEU A 22 0.654 -0.568 3.757 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.064 0.799 3.207 1.00 0.00 C ATOM 301 CD2 LEU A 22 0.629 -1.641 2.666 1.00 0.00 C ATOM 0 H LEU A 22 -0.021 -0.689 6.792 1.00 0.00 H new ATOM 0 HA LEU A 22 0.511 -2.805 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.702 -0.126 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.539 -1.246 4.513 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.363 -0.470 4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.404 1.073 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.988 1.547 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.092 0.753 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.022 -1.319 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.638 -1.794 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.253 -2.575 3.083 1.00 0.00 H new ATOM 313 N GLU A 23 2.678 -2.548 7.513 1.00 0.00 N ATOM 314 CA GLU A 23 3.751 -3.248 8.199 1.00 0.00 C ATOM 315 C GLU A 23 3.224 -4.535 8.836 1.00 0.00 C ATOM 316 O GLU A 23 3.888 -5.570 8.796 1.00 0.00 O ATOM 317 CB GLU A 23 4.411 -2.349 9.246 1.00 0.00 C ATOM 318 CG GLU A 23 5.338 -1.327 8.585 1.00 0.00 C ATOM 319 CD GLU A 23 6.175 -0.588 9.632 1.00 0.00 C ATOM 320 OE1 GLU A 23 5.578 0.237 10.357 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.393 -0.866 9.684 1.00 0.00 O ATOM 0 H GLU A 23 2.350 -1.704 7.983 1.00 0.00 H new ATOM 0 HA GLU A 23 4.511 -3.514 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.644 -1.831 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.979 -2.959 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.996 -1.832 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.747 -0.610 8.015 1.00 0.00 H new ATOM 328 N GLN A 24 2.033 -4.430 9.409 1.00 0.00 N ATOM 329 CA GLN A 24 1.409 -5.573 10.053 1.00 0.00 C ATOM 330 C GLN A 24 1.346 -6.758 9.087 1.00 0.00 C ATOM 331 O GLN A 24 1.303 -7.910 9.515 1.00 0.00 O ATOM 332 CB GLN A 24 0.016 -5.215 10.574 1.00 0.00 C ATOM 333 CG GLN A 24 0.101 -4.200 11.716 1.00 0.00 C ATOM 334 CD GLN A 24 -0.297 -4.840 13.048 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.188 -6.038 13.248 1.00 0.00 O ATOM 336 NE2 GLN A 24 -0.762 -3.975 13.946 1.00 0.00 N ATOM 0 H GLN A 24 1.484 -3.571 9.440 1.00 0.00 H new ATOM 0 HA GLN A 24 2.019 -5.861 10.910 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.585 -4.805 9.763 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.489 -6.116 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.116 -3.809 11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.553 -3.354 11.505 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.827 -2.984 13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.053 -4.303 14.867 1.00 0.00 H new ATOM 345 N ALA A 25 1.342 -6.433 7.803 1.00 0.00 N ATOM 346 CA ALA A 25 1.285 -7.457 6.773 1.00 0.00 C ATOM 347 C ALA A 25 2.663 -8.104 6.626 1.00 0.00 C ATOM 348 O ALA A 25 2.787 -9.327 6.673 1.00 0.00 O ATOM 349 CB ALA A 25 0.789 -6.837 5.465 1.00 0.00 C ATOM 0 H ALA A 25 1.377 -5.476 7.452 1.00 0.00 H new ATOM 0 HA ALA A 25 0.581 -8.242 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.746 -7.604 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.206 -6.417 5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.473 -6.047 5.154 1.00 0.00 H new ATOM 355 N LEU A 26 3.665 -7.254 6.450 1.00 0.00 N ATOM 356 CA LEU A 26 5.030 -7.728 6.295 1.00 0.00 C ATOM 357 C LEU A 26 5.302 -8.828 7.323 1.00 0.00 C ATOM 358 O LEU A 26 5.500 -9.987 6.960 1.00 0.00 O ATOM 359 CB LEU A 26 6.014 -6.559 6.370 1.00 0.00 C ATOM 360 CG LEU A 26 7.463 -6.878 5.996 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.587 -7.199 4.505 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.400 -5.745 6.418 1.00 0.00 C ATOM 0 H LEU A 26 3.558 -6.240 6.411 1.00 0.00 H new ATOM 0 HA LEU A 26 5.171 -8.170 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.656 -5.766 5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.000 -6.163 7.385 1.00 0.00 H new ATOM 0 HG LEU A 26 7.769 -7.770 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.627 -7.422 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.967 -8.063 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.256 -6.341 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.424 -5.997 6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.105 -4.823 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.340 -5.606 7.498 1.00 0.00 H new ATOM 374 N GLU A 27 5.305 -8.427 8.586 1.00 0.00 N ATOM 375 CA GLU A 27 5.550 -9.364 9.669 1.00 0.00 C ATOM 376 C GLU A 27 4.806 -10.677 9.413 1.00 0.00 C ATOM 377 O GLU A 27 5.388 -11.755 9.520 1.00 0.00 O ATOM 378 CB GLU A 27 5.151 -8.761 11.017 1.00 0.00 C ATOM 379 CG GLU A 27 3.769 -8.108 10.937 1.00 0.00 C ATOM 380 CD GLU A 27 2.723 -8.945 11.676 1.00 0.00 C ATOM 381 OE1 GLU A 27 2.801 -10.187 11.554 1.00 0.00 O ATOM 382 OE2 GLU A 27 1.869 -8.325 12.345 1.00 0.00 O ATOM 0 H GLU A 27 5.142 -7.465 8.883 1.00 0.00 H new ATOM 0 HA GLU A 27 6.619 -9.576 9.706 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.146 -9.539 11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.890 -8.020 11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.810 -7.108 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.477 -7.994 9.893 1.00 0.00 H new ATOM 389 N ASP A 28 3.531 -10.542 9.080 1.00 0.00 N ATOM 390 CA ASP A 28 2.702 -11.704 8.808 1.00 0.00 C ATOM 391 C ASP A 28 3.361 -12.552 7.718 1.00 0.00 C ATOM 392 O ASP A 28 3.402 -13.777 7.820 1.00 0.00 O ATOM 393 CB ASP A 28 1.317 -11.288 8.310 1.00 0.00 C ATOM 394 CG ASP A 28 0.172 -11.545 9.292 1.00 0.00 C ATOM 395 OD1 ASP A 28 -0.271 -12.712 9.354 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.234 -10.569 9.958 1.00 0.00 O ATOM 0 H ASP A 28 3.052 -9.646 8.992 1.00 0.00 H new ATOM 0 HA ASP A 28 2.598 -12.268 9.735 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.338 -10.225 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.106 -11.820 7.382 1.00 0.00 H new ATOM 401 N CYS A 29 3.861 -11.866 6.701 1.00 0.00 N ATOM 402 CA CYS A 29 4.516 -12.541 5.593 1.00 0.00 C ATOM 403 C CYS A 29 5.792 -13.201 6.120 1.00 0.00 C ATOM 404 O CYS A 29 6.081 -14.351 5.793 1.00 0.00 O ATOM 405 CB CYS A 29 4.805 -11.582 4.437 1.00 0.00 C ATOM 406 SG CYS A 29 3.255 -11.187 3.549 1.00 0.00 S ATOM 0 H CYS A 29 3.826 -10.850 6.621 1.00 0.00 H new ATOM 0 HA CYS A 29 3.854 -13.305 5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.259 -10.667 4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.522 -12.032 3.751 1.00 0.00 H new ATOM 0 HG CYS A 29 3.523 -10.923 2.305 1.00 0.00 H new ATOM 412 N HIS A 30 6.522 -12.444 6.927 1.00 0.00 N ATOM 413 CA HIS A 30 7.760 -12.941 7.502 1.00 0.00 C ATOM 414 C HIS A 30 7.496 -14.261 8.228 1.00 0.00 C ATOM 415 O HIS A 30 8.416 -15.045 8.453 1.00 0.00 O ATOM 416 CB HIS A 30 8.401 -11.886 8.406 1.00 0.00 C ATOM 417 CG HIS A 30 8.894 -12.426 9.727 1.00 0.00 C ATOM 418 ND1 HIS A 30 8.215 -12.975 10.775 1.00 0.00 N flip ATOM 419 CD2 HIS A 30 10.232 -12.434 10.081 1.00 0.00 C flip ATOM 420 CE1 HIS A 30 9.090 -13.302 11.717 1.00 0.00 C flip ATOM 421 NE2 HIS A 30 10.342 -12.967 11.289 1.00 0.00 N flip ATOM 0 H HIS A 30 6.279 -11.490 7.196 1.00 0.00 H new ATOM 0 HA HIS A 30 8.479 -13.141 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.237 -11.429 7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.675 -11.096 8.597 1.00 0.00 H new ATOM 0 HD2 HIS A 30 11.048 -12.068 9.475 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.851 -13.758 12.666 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.210 -13.103 11.808 1.00 0.00 H new ATOM 429 N GLY A 31 6.233 -14.467 8.574 1.00 0.00 N ATOM 430 CA GLY A 31 5.836 -15.679 9.270 1.00 0.00 C ATOM 431 C GLY A 31 5.016 -16.592 8.356 1.00 0.00 C ATOM 432 O GLY A 31 4.258 -17.435 8.833 1.00 0.00 O ATOM 0 H GLY A 31 5.472 -13.815 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.722 -16.209 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.250 -15.421 10.152 1.00 0.00 H new ATOM 436 N HIS A 32 5.195 -16.393 7.058 1.00 0.00 N ATOM 437 CA HIS A 32 4.482 -17.187 6.073 1.00 0.00 C ATOM 438 C HIS A 32 5.250 -17.176 4.750 1.00 0.00 C ATOM 439 O HIS A 32 5.825 -18.189 4.354 1.00 0.00 O ATOM 440 CB HIS A 32 3.039 -16.701 5.925 1.00 0.00 C ATOM 441 CG HIS A 32 2.094 -17.254 6.965 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.717 -18.585 7.003 1.00 0.00 N ATOM 443 CD2 HIS A 32 1.455 -16.643 8.003 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.888 -18.756 8.022 1.00 0.00 C ATOM 445 NE2 HIS A 32 0.726 -17.551 8.640 1.00 0.00 N ATOM 0 H HIS A 32 5.824 -15.692 6.666 1.00 0.00 H new ATOM 0 HA HIS A 32 4.423 -18.222 6.409 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.026 -15.612 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.674 -16.975 4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.529 -15.597 8.263 1.00 0.00 H new ATOM 0 HE1 HIS A 32 0.422 -19.686 8.312 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.141 -17.376 9.457 1.00 0.00 H new ATOM 453 N THR A 33 5.236 -16.020 4.104 1.00 0.00 N ATOM 454 CA THR A 33 5.925 -15.864 2.834 1.00 0.00 C ATOM 455 C THR A 33 7.412 -16.188 2.990 1.00 0.00 C ATOM 456 O THR A 33 7.959 -16.096 4.088 1.00 0.00 O ATOM 457 CB THR A 33 5.663 -14.445 2.326 1.00 0.00 C ATOM 458 OG1 THR A 33 4.268 -14.250 2.542 1.00 0.00 O ATOM 459 CG2 THR A 33 5.824 -14.327 0.809 1.00 0.00 C ATOM 0 H THR A 33 4.758 -15.182 4.436 1.00 0.00 H new ATOM 0 HA THR A 33 5.548 -16.566 2.091 1.00 0.00 H new ATOM 0 HB THR A 33 6.345 -13.752 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.088 -13.296 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.627 -13.300 0.501 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.841 -14.601 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.119 -14.996 0.315 1.00 0.00 H new ATOM 467 N LYS A 34 8.023 -16.562 1.876 1.00 0.00 N ATOM 468 CA LYS A 34 9.436 -16.901 1.875 1.00 0.00 C ATOM 469 C LYS A 34 10.237 -15.729 2.446 1.00 0.00 C ATOM 470 O LYS A 34 9.668 -14.813 3.038 1.00 0.00 O ATOM 471 CB LYS A 34 9.884 -17.328 0.476 1.00 0.00 C ATOM 472 CG LYS A 34 9.020 -18.476 -0.050 1.00 0.00 C ATOM 473 CD LYS A 34 9.240 -19.748 0.773 1.00 0.00 C ATOM 474 CE LYS A 34 8.249 -19.826 1.936 1.00 0.00 C ATOM 475 NZ LYS A 34 8.936 -20.263 3.173 1.00 0.00 N ATOM 0 H LYS A 34 7.566 -16.638 0.967 1.00 0.00 H new ATOM 0 HA LYS A 34 9.622 -17.760 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.821 -16.479 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.929 -17.637 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.968 -18.191 -0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.261 -18.668 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.126 -20.623 0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.260 -19.765 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.787 -18.851 2.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.447 -20.523 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.335 -20.055 3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.118 -21.286 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.839 -19.755 3.267 1.00 0.00 H new ATOM 489 N LYS A 35 11.546 -15.797 2.249 1.00 0.00 N ATOM 490 CA LYS A 35 12.431 -14.753 2.738 1.00 0.00 C ATOM 491 C LYS A 35 12.635 -13.708 1.639 1.00 0.00 C ATOM 492 O LYS A 35 12.200 -12.566 1.775 1.00 0.00 O ATOM 493 CB LYS A 35 13.735 -15.358 3.261 1.00 0.00 C ATOM 494 CG LYS A 35 14.614 -14.288 3.911 1.00 0.00 C ATOM 495 CD LYS A 35 14.082 -13.907 5.294 1.00 0.00 C ATOM 496 CE LYS A 35 14.991 -12.877 5.967 1.00 0.00 C ATOM 497 NZ LYS A 35 14.377 -12.384 7.220 1.00 0.00 N ATOM 0 H LYS A 35 12.015 -16.558 1.758 1.00 0.00 H new ATOM 0 HA LYS A 35 11.982 -14.239 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.512 -16.140 3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.276 -15.829 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.636 -14.656 3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.648 -13.404 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.074 -13.502 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.011 -14.798 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.961 -13.325 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.169 -12.042 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.007 -11.686 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.462 -11.938 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.230 -13.181 7.872 1.00 0.00 H new ATOM 511 N GLN A 36 13.297 -14.137 0.574 1.00 0.00 N ATOM 512 CA GLN A 36 13.564 -13.253 -0.547 1.00 0.00 C ATOM 513 C GLN A 36 12.327 -12.410 -0.865 1.00 0.00 C ATOM 514 O GLN A 36 12.437 -11.213 -1.126 1.00 0.00 O ATOM 515 CB GLN A 36 14.019 -14.045 -1.774 1.00 0.00 C ATOM 516 CG GLN A 36 15.542 -14.184 -1.805 1.00 0.00 C ATOM 517 CD GLN A 36 16.003 -14.885 -3.084 1.00 0.00 C ATOM 518 OE1 GLN A 36 16.056 -16.101 -3.171 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.333 -14.053 -4.068 1.00 0.00 N ATOM 0 H GLN A 36 13.656 -15.085 0.464 1.00 0.00 H new ATOM 0 HA GLN A 36 14.376 -12.581 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 36 13.560 -15.034 -1.763 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.678 -13.545 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.002 -13.198 -1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.877 -14.749 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.265 -13.045 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.654 -14.423 -4.963 1.00 0.00 H new ATOM 528 N VAL A 37 11.178 -13.069 -0.833 1.00 0.00 N ATOM 529 CA VAL A 37 9.922 -12.396 -1.115 1.00 0.00 C ATOM 530 C VAL A 37 9.737 -11.237 -0.133 1.00 0.00 C ATOM 531 O VAL A 37 9.584 -10.089 -0.545 1.00 0.00 O ATOM 532 CB VAL A 37 8.769 -13.402 -1.076 1.00 0.00 C ATOM 533 CG1 VAL A 37 8.748 -14.160 0.252 1.00 0.00 C ATOM 534 CG2 VAL A 37 7.429 -12.710 -1.334 1.00 0.00 C ATOM 0 H VAL A 37 11.091 -14.062 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 37 9.933 -11.973 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 37 8.930 -14.128 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.919 -14.868 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.687 -14.699 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.623 -13.453 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.627 -13.447 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.258 -11.952 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.447 -12.237 -2.316 1.00 0.00 H new ATOM 544 N CYS A 38 9.759 -11.579 1.147 1.00 0.00 N ATOM 545 CA CYS A 38 9.596 -10.582 2.191 1.00 0.00 C ATOM 546 C CYS A 38 10.674 -9.512 2.005 1.00 0.00 C ATOM 547 O CYS A 38 10.366 -8.323 1.929 1.00 0.00 O ATOM 548 CB CYS A 38 9.649 -11.209 3.585 1.00 0.00 C ATOM 549 SG CYS A 38 8.420 -10.407 4.679 1.00 0.00 S ATOM 0 H CYS A 38 9.887 -12.533 1.485 1.00 0.00 H new ATOM 0 HA CYS A 38 8.611 -10.123 2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.447 -12.278 3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.649 -11.098 4.005 1.00 0.00 H new ATOM 0 HG CYS A 38 8.612 -10.794 5.905 1.00 0.00 H new ATOM 555 N ASP A 39 11.914 -9.972 1.936 1.00 0.00 N ATOM 556 CA ASP A 39 13.039 -9.069 1.761 1.00 0.00 C ATOM 557 C ASP A 39 12.704 -8.050 0.669 1.00 0.00 C ATOM 558 O ASP A 39 13.171 -6.913 0.712 1.00 0.00 O ATOM 559 CB ASP A 39 14.294 -9.830 1.328 1.00 0.00 C ATOM 560 CG ASP A 39 15.597 -9.033 1.420 1.00 0.00 C ATOM 561 OD1 ASP A 39 16.102 -8.899 2.556 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.058 -8.576 0.352 1.00 0.00 O ATOM 0 H ASP A 39 12.165 -10.959 1.998 1.00 0.00 H new ATOM 0 HA ASP A 39 13.227 -8.576 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.389 -10.725 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.161 -10.164 0.299 1.00 0.00 H new ATOM 567 N ASP A 40 11.897 -8.495 -0.283 1.00 0.00 N ATOM 568 CA ASP A 40 11.494 -7.636 -1.383 1.00 0.00 C ATOM 569 C ASP A 40 10.422 -6.659 -0.896 1.00 0.00 C ATOM 570 O ASP A 40 10.641 -5.449 -0.880 1.00 0.00 O ATOM 571 CB ASP A 40 10.901 -8.455 -2.532 1.00 0.00 C ATOM 572 CG ASP A 40 10.865 -7.739 -3.884 1.00 0.00 C ATOM 573 OD1 ASP A 40 11.898 -7.800 -4.586 1.00 0.00 O ATOM 574 OD2 ASP A 40 9.805 -7.149 -4.185 1.00 0.00 O ATOM 0 H ASP A 40 11.512 -9.439 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 40 12.377 -7.104 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.478 -9.374 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.885 -8.746 -2.265 1.00 0.00 H new ATOM 579 N ILE A 41 9.286 -7.221 -0.511 1.00 0.00 N ATOM 580 CA ILE A 41 8.179 -6.415 -0.025 1.00 0.00 C ATOM 581 C ILE A 41 8.706 -5.380 0.970 1.00 0.00 C ATOM 582 O ILE A 41 8.559 -4.177 0.757 1.00 0.00 O ATOM 583 CB ILE A 41 7.075 -7.308 0.544 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.372 -8.088 -0.570 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.088 -6.494 1.383 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.731 -9.366 -0.024 1.00 0.00 C ATOM 0 H ILE A 41 9.108 -8.225 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 41 7.720 -5.864 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 41 7.536 -8.039 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.608 -7.462 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.090 -8.341 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.314 -7.153 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.617 -6.022 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.629 -5.725 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.238 -9.901 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.501 -10.001 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.996 -9.107 0.739 1.00 0.00 H new ATOM 598 N SER A 42 9.310 -5.885 2.036 1.00 0.00 N ATOM 599 CA SER A 42 9.860 -5.019 3.065 1.00 0.00 C ATOM 600 C SER A 42 10.666 -3.889 2.422 1.00 0.00 C ATOM 601 O SER A 42 10.484 -2.720 2.762 1.00 0.00 O ATOM 602 CB SER A 42 10.737 -5.809 4.039 1.00 0.00 C ATOM 603 OG SER A 42 11.738 -6.564 3.363 1.00 0.00 O ATOM 0 H SER A 42 9.430 -6.883 2.209 1.00 0.00 H new ATOM 0 HA SER A 42 9.032 -4.590 3.630 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.212 -5.121 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.112 -6.481 4.627 1.00 0.00 H new ATOM 0 HG SER A 42 11.314 -7.277 2.842 1.00 0.00 H new ATOM 609 N ARG A 43 11.540 -4.276 1.504 1.00 0.00 N ATOM 610 CA ARG A 43 12.374 -3.310 0.811 1.00 0.00 C ATOM 611 C ARG A 43 11.509 -2.218 0.179 1.00 0.00 C ATOM 612 O ARG A 43 11.909 -1.055 0.128 1.00 0.00 O ATOM 613 CB ARG A 43 13.208 -3.985 -0.280 1.00 0.00 C ATOM 614 CG ARG A 43 14.690 -4.012 0.101 1.00 0.00 C ATOM 615 CD ARG A 43 15.564 -3.544 -1.065 1.00 0.00 C ATOM 616 NE ARG A 43 16.855 -4.268 -1.052 1.00 0.00 N ATOM 617 CZ ARG A 43 17.797 -4.140 -1.996 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.598 -3.317 -3.034 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.937 -4.837 -1.903 1.00 0.00 N ATOM 0 H ARG A 43 11.688 -5.246 1.224 1.00 0.00 H new ATOM 0 HA ARG A 43 13.047 -2.866 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.851 -5.003 -0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.081 -3.452 -1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.858 -3.371 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.976 -5.023 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.049 -3.719 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.739 -2.471 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 43 17.039 -4.904 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.729 -2.788 -3.106 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.315 -3.220 -3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.088 -5.465 -1.114 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.654 -4.740 -2.622 1.00 0.00 H new ATOM 633 N ARG A 44 10.339 -2.630 -0.287 1.00 0.00 N ATOM 634 CA ARG A 44 9.414 -1.701 -0.913 1.00 0.00 C ATOM 635 C ARG A 44 8.740 -0.827 0.146 1.00 0.00 C ATOM 636 O ARG A 44 8.441 0.340 -0.105 1.00 0.00 O ATOM 637 CB ARG A 44 8.339 -2.446 -1.708 1.00 0.00 C ATOM 638 CG ARG A 44 8.970 -3.396 -2.727 1.00 0.00 C ATOM 639 CD ARG A 44 9.535 -2.622 -3.921 1.00 0.00 C ATOM 640 NE ARG A 44 10.537 -3.448 -4.631 1.00 0.00 N ATOM 641 CZ ARG A 44 11.002 -3.176 -5.858 1.00 0.00 C ATOM 642 NH1 ARG A 44 10.558 -2.097 -6.518 1.00 0.00 N ATOM 643 NH2 ARG A 44 11.910 -3.981 -6.425 1.00 0.00 N ATOM 0 H ARG A 44 10.011 -3.595 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 44 9.987 -1.073 -1.596 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.702 -3.009 -1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.699 -1.729 -2.222 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.766 -3.969 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.224 -4.112 -3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.729 -2.348 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.993 -1.694 -3.579 1.00 0.00 H new ATOM 0 HE ARG A 44 10.896 -4.276 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.867 -1.484 -6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.911 -1.889 -7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.248 -4.802 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.263 -3.773 -7.359 1.00 0.00 H new ATOM 657 N LEU A 45 8.522 -1.424 1.309 1.00 0.00 N ATOM 658 CA LEU A 45 7.889 -0.714 2.408 1.00 0.00 C ATOM 659 C LEU A 45 8.777 0.458 2.830 1.00 0.00 C ATOM 660 O LEU A 45 8.344 1.609 2.809 1.00 0.00 O ATOM 661 CB LEU A 45 7.559 -1.678 3.549 1.00 0.00 C ATOM 662 CG LEU A 45 6.715 -2.898 3.174 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.032 -3.492 4.407 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.710 -2.551 2.073 1.00 0.00 C ATOM 0 H LEU A 45 8.772 -2.391 1.514 1.00 0.00 H new ATOM 0 HA LEU A 45 6.935 -0.294 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.495 -2.028 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.034 -1.123 4.327 1.00 0.00 H new ATOM 0 HG LEU A 45 7.380 -3.664 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.439 -4.358 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.788 -3.799 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.382 -2.743 4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.123 -3.435 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.046 -1.760 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.245 -2.210 1.187 1.00 0.00 H new ATOM 676 N ALA A 46 10.004 0.125 3.204 1.00 0.00 N ATOM 677 CA ALA A 46 10.957 1.135 3.631 1.00 0.00 C ATOM 678 C ALA A 46 10.857 2.348 2.703 1.00 0.00 C ATOM 679 O ALA A 46 10.896 3.489 3.161 1.00 0.00 O ATOM 680 CB ALA A 46 12.363 0.533 3.655 1.00 0.00 C ATOM 0 H ALA A 46 10.360 -0.831 3.220 1.00 0.00 H new ATOM 0 HA ALA A 46 10.731 1.474 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.078 1.291 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.388 -0.306 4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.627 0.185 2.656 1.00 0.00 H new ATOM 686 N LEU A 47 10.731 2.060 1.416 1.00 0.00 N ATOM 687 CA LEU A 47 10.626 3.113 0.420 1.00 0.00 C ATOM 688 C LEU A 47 9.282 3.826 0.579 1.00 0.00 C ATOM 689 O LEU A 47 9.237 5.048 0.720 1.00 0.00 O ATOM 690 CB LEU A 47 10.861 2.548 -0.982 1.00 0.00 C ATOM 691 CG LEU A 47 11.597 3.467 -1.960 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.975 2.716 -3.238 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.778 4.725 -2.254 1.00 0.00 C ATOM 0 H LEU A 47 10.699 1.112 1.040 1.00 0.00 H new ATOM 0 HA LEU A 47 11.404 3.861 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.427 1.621 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.895 2.289 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 47 12.526 3.792 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.497 3.391 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.626 1.878 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.072 2.343 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.324 5.360 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.822 4.442 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.604 5.271 -1.327 1.00 0.00 H new ATOM 705 N LEU A 48 8.221 3.034 0.552 1.00 0.00 N ATOM 706 CA LEU A 48 6.879 3.575 0.691 1.00 0.00 C ATOM 707 C LEU A 48 6.884 4.669 1.761 1.00 0.00 C ATOM 708 O LEU A 48 6.302 5.735 1.566 1.00 0.00 O ATOM 709 CB LEU A 48 5.875 2.454 0.963 1.00 0.00 C ATOM 710 CG LEU A 48 4.511 2.891 1.500 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.933 4.034 0.664 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.550 1.703 1.588 1.00 0.00 C ATOM 0 H LEU A 48 8.263 2.021 0.436 1.00 0.00 H new ATOM 0 HA LEU A 48 6.557 4.040 -0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.718 1.901 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.319 1.761 1.677 1.00 0.00 H new ATOM 0 HG LEU A 48 4.648 3.270 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.963 4.325 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.611 4.887 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.813 3.705 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.588 2.041 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.413 1.272 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.964 0.949 2.258 1.00 0.00 H new ATOM 724 N ARG A 49 7.547 4.367 2.867 1.00 0.00 N ATOM 725 CA ARG A 49 7.635 5.312 3.968 1.00 0.00 C ATOM 726 C ARG A 49 8.483 6.520 3.565 1.00 0.00 C ATOM 727 O ARG A 49 8.075 7.663 3.761 1.00 0.00 O ATOM 728 CB ARG A 49 8.248 4.658 5.208 1.00 0.00 C ATOM 729 CG ARG A 49 8.280 5.635 6.384 1.00 0.00 C ATOM 730 CD ARG A 49 9.287 5.184 7.445 1.00 0.00 C ATOM 731 NE ARG A 49 9.383 6.200 8.516 1.00 0.00 N ATOM 732 CZ ARG A 49 10.386 6.264 9.402 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.384 5.372 9.351 1.00 0.00 N ATOM 734 NH2 ARG A 49 10.391 7.221 10.340 1.00 0.00 N ATOM 0 H ARG A 49 8.028 3.482 3.025 1.00 0.00 H new ATOM 0 HA ARG A 49 6.623 5.638 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.671 3.774 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.260 4.321 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.544 6.631 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.287 5.708 6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.979 4.227 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.265 5.031 6.988 1.00 0.00 H new ATOM 0 HE ARG A 49 8.639 6.895 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.381 4.643 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.147 5.421 10.026 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.631 7.901 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.154 7.270 11.015 1.00 0.00 H new ATOM 748 N GLU A 50 9.649 6.224 3.009 1.00 0.00 N ATOM 749 CA GLU A 50 10.559 7.271 2.576 1.00 0.00 C ATOM 750 C GLU A 50 9.855 8.216 1.601 1.00 0.00 C ATOM 751 O GLU A 50 9.897 9.434 1.770 1.00 0.00 O ATOM 752 CB GLU A 50 11.821 6.677 1.949 1.00 0.00 C ATOM 753 CG GLU A 50 12.745 6.096 3.022 1.00 0.00 C ATOM 754 CD GLU A 50 14.112 5.741 2.434 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.698 6.632 1.782 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.541 4.587 2.650 1.00 0.00 O ATOM 0 H GLU A 50 9.984 5.274 2.848 1.00 0.00 H new ATOM 0 HA GLU A 50 10.864 7.844 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.546 5.897 1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.349 7.447 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.869 6.817 3.830 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.290 5.206 3.456 1.00 0.00 H new ATOM 763 N GLN A 51 9.224 7.620 0.600 1.00 0.00 N ATOM 764 CA GLN A 51 8.512 8.393 -0.403 1.00 0.00 C ATOM 765 C GLN A 51 7.313 9.104 0.227 1.00 0.00 C ATOM 766 O GLN A 51 7.001 10.239 -0.130 1.00 0.00 O ATOM 767 CB GLN A 51 8.072 7.506 -1.569 1.00 0.00 C ATOM 768 CG GLN A 51 8.933 7.762 -2.808 1.00 0.00 C ATOM 769 CD GLN A 51 8.106 7.623 -4.088 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.215 8.407 -4.370 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.451 6.585 -4.845 1.00 0.00 N ATOM 0 H GLN A 51 9.191 6.610 0.462 1.00 0.00 H new ATOM 0 HA GLN A 51 9.190 9.148 -0.800 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.146 6.457 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.025 7.699 -1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.364 8.762 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.764 7.057 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.207 5.967 -4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.960 6.407 -5.721 1.00 0.00 H new ATOM 780 N TRP A 52 6.672 8.407 1.154 1.00 0.00 N ATOM 781 CA TRP A 52 5.514 8.957 1.838 1.00 0.00 C ATOM 782 C TRP A 52 5.981 10.152 2.672 1.00 0.00 C ATOM 783 O TRP A 52 5.569 11.284 2.426 1.00 0.00 O ATOM 784 CB TRP A 52 4.809 7.885 2.671 1.00 0.00 C ATOM 785 CG TRP A 52 3.552 8.382 3.389 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.439 9.415 4.235 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.226 7.821 3.288 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.143 9.561 4.685 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.382 8.560 4.091 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.756 6.725 2.544 1.00 0.00 C ATOM 791 CZ2 TRP A 52 0.016 8.284 4.226 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.389 6.462 2.689 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.475 7.197 3.493 1.00 0.00 C ATOM 0 H TRP A 52 6.933 7.466 1.447 1.00 0.00 H new ATOM 0 HA TRP A 52 4.770 9.303 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.539 7.053 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.508 7.496 3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.260 10.053 4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.805 10.272 5.334 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.399 6.132 1.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.624 8.878 4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.024 5.630 2.138 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.520 6.931 3.552 1.00 0.00 H new ATOM 804 N ALA A 53 6.835 9.858 3.642 1.00 0.00 N ATOM 805 CA ALA A 53 7.362 10.894 4.514 1.00 0.00 C ATOM 806 C ALA A 53 8.075 11.951 3.669 1.00 0.00 C ATOM 807 O ALA A 53 7.741 13.133 3.735 1.00 0.00 O ATOM 808 CB ALA A 53 8.285 10.262 5.558 1.00 0.00 C ATOM 0 H ALA A 53 7.175 8.918 3.843 1.00 0.00 H new ATOM 0 HA ALA A 53 6.554 11.391 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.680 11.039 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.723 9.540 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.110 9.756 5.056 1.00 0.00 H new ATOM 814 N GLY A 54 9.045 11.488 2.894 1.00 0.00 N ATOM 815 CA GLY A 54 9.809 12.379 2.037 1.00 0.00 C ATOM 816 C GLY A 54 8.922 13.491 1.473 1.00 0.00 C ATOM 817 O GLY A 54 9.359 14.633 1.344 1.00 0.00 O ATOM 0 H GLY A 54 9.319 10.507 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.632 12.817 2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.251 11.811 1.218 1.00 0.00 H new ATOM 821 N GLY A 55 7.691 13.117 1.152 1.00 0.00 N ATOM 822 CA GLY A 55 6.739 14.069 0.605 1.00 0.00 C ATOM 823 C GLY A 55 6.593 13.890 -0.907 1.00 0.00 C ATOM 824 O GLY A 55 5.891 14.660 -1.562 1.00 0.00 O ATOM 0 H GLY A 55 7.332 12.169 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.770 13.937 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.068 15.085 0.825 1.00 0.00 H new ATOM 828 N LYS A 56 7.267 12.871 -1.419 1.00 0.00 N ATOM 829 CA LYS A 56 7.221 12.581 -2.842 1.00 0.00 C ATOM 830 C LYS A 56 5.805 12.145 -3.224 1.00 0.00 C ATOM 831 O LYS A 56 5.409 12.256 -4.383 1.00 0.00 O ATOM 832 CB LYS A 56 8.301 11.564 -3.217 1.00 0.00 C ATOM 833 CG LYS A 56 9.635 12.258 -3.497 1.00 0.00 C ATOM 834 CD LYS A 56 10.050 12.080 -4.958 1.00 0.00 C ATOM 835 CE LYS A 56 10.498 10.642 -5.230 1.00 0.00 C ATOM 836 NZ LYS A 56 11.248 10.564 -6.503 1.00 0.00 N ATOM 0 H LYS A 56 7.849 12.235 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 56 7.446 13.477 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.424 10.844 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.987 11.003 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.552 13.320 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.406 11.849 -2.844 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.215 12.334 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.861 12.768 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.124 10.289 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.629 9.986 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.544 9.581 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.639 10.881 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.088 11.174 -6.449 1.00 0.00 H new ATOM 850 N LEU A 57 5.082 11.657 -2.227 1.00 0.00 N ATOM 851 CA LEU A 57 3.719 11.203 -2.443 1.00 0.00 C ATOM 852 C LEU A 57 2.773 12.406 -2.405 1.00 0.00 C ATOM 853 O LEU A 57 3.002 13.356 -1.658 1.00 0.00 O ATOM 854 CB LEU A 57 3.355 10.103 -1.445 1.00 0.00 C ATOM 855 CG LEU A 57 4.175 8.814 -1.538 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.678 7.774 -0.533 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.183 8.272 -2.969 1.00 0.00 C ATOM 0 H LEU A 57 5.415 11.566 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 57 3.621 10.750 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.460 10.505 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.303 9.851 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 57 5.207 9.046 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.278 6.868 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.768 8.173 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.634 7.539 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.772 7.356 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.161 8.060 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.621 9.014 -3.637 1.00 0.00 H new ATOM 869 N SER A 58 1.731 12.325 -3.219 1.00 0.00 N ATOM 870 CA SER A 58 0.750 13.395 -3.287 1.00 0.00 C ATOM 871 C SER A 58 -0.242 13.269 -2.130 1.00 0.00 C ATOM 872 O SER A 58 -0.415 12.188 -1.569 1.00 0.00 O ATOM 873 CB SER A 58 0.009 13.378 -4.626 1.00 0.00 C ATOM 874 OG SER A 58 -1.052 12.426 -4.637 1.00 0.00 O ATOM 0 H SER A 58 1.545 11.535 -3.837 1.00 0.00 H new ATOM 0 HA SER A 58 1.275 14.347 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.392 14.371 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.712 13.147 -5.426 1.00 0.00 H new ATOM 0 HG SER A 58 -1.688 12.653 -5.348 1.00 0.00 H new ATOM 880 N ILE A 59 -0.869 14.391 -1.806 1.00 0.00 N ATOM 881 CA ILE A 59 -1.840 14.420 -0.725 1.00 0.00 C ATOM 882 C ILE A 59 -2.973 13.440 -1.036 1.00 0.00 C ATOM 883 O ILE A 59 -3.388 12.671 -0.170 1.00 0.00 O ATOM 884 CB ILE A 59 -2.317 15.851 -0.472 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.262 16.655 0.291 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.671 15.860 0.241 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.107 18.057 -0.301 1.00 0.00 C ATOM 0 H ILE A 59 -0.723 15.286 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.381 14.092 0.208 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.458 16.339 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.545 16.729 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.306 16.133 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.987 16.890 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.410 15.349 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.581 15.347 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.351 18.607 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.800 17.980 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.059 18.585 -0.241 1.00 0.00 H new ATOM 899 N PRO A 60 -3.452 13.500 -2.307 1.00 0.00 N ATOM 900 CA PRO A 60 -4.529 12.627 -2.743 1.00 0.00 C ATOM 901 C PRO A 60 -4.022 11.201 -2.965 1.00 0.00 C ATOM 902 O PRO A 60 -4.803 10.302 -3.276 1.00 0.00 O ATOM 903 CB PRO A 60 -5.068 13.270 -4.010 1.00 0.00 C ATOM 904 CG PRO A 60 -3.981 14.218 -4.492 1.00 0.00 C ATOM 905 CD PRO A 60 -2.985 14.398 -3.359 1.00 0.00 C ATOM 0 HA PRO A 60 -5.318 12.526 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.292 12.517 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.995 13.808 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.486 13.814 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.411 15.178 -4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.974 14.143 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.960 15.432 -3.015 1.00 0.00 H new ATOM 913 N VAL A 61 -2.718 11.037 -2.797 1.00 0.00 N ATOM 914 CA VAL A 61 -2.098 9.736 -2.976 1.00 0.00 C ATOM 915 C VAL A 61 -2.077 8.997 -1.636 1.00 0.00 C ATOM 916 O VAL A 61 -2.068 7.768 -1.601 1.00 0.00 O ATOM 917 CB VAL A 61 -0.706 9.899 -3.591 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.247 8.813 -3.086 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.778 9.898 -5.119 1.00 0.00 C ATOM 0 H VAL A 61 -2.074 11.784 -2.539 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.677 9.130 -3.673 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.311 10.865 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.229 8.952 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.334 8.881 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.142 7.832 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.224 10.015 -5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.203 8.955 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.407 10.723 -5.454 1.00 0.00 H new ATOM 929 N LYS A 62 -2.070 9.779 -0.566 1.00 0.00 N ATOM 930 CA LYS A 62 -2.050 9.215 0.773 1.00 0.00 C ATOM 931 C LYS A 62 -3.484 8.928 1.222 1.00 0.00 C ATOM 932 O LYS A 62 -3.754 7.892 1.827 1.00 0.00 O ATOM 933 CB LYS A 62 -1.277 10.127 1.727 1.00 0.00 C ATOM 934 CG LYS A 62 0.024 10.613 1.087 1.00 0.00 C ATOM 935 CD LYS A 62 0.520 11.895 1.759 1.00 0.00 C ATOM 936 CE LYS A 62 1.680 12.512 0.975 1.00 0.00 C ATOM 937 NZ LYS A 62 1.351 13.895 0.565 1.00 0.00 N ATOM 0 H LYS A 62 -2.078 10.798 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.518 8.264 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.895 10.983 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.054 9.590 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.785 9.837 1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.135 10.793 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.298 12.612 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.841 11.675 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.581 12.513 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.894 11.907 0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.652 14.046 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.325 14.045 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.845 14.568 1.185 1.00 0.00 H new ATOM 951 N LYS A 63 -4.367 9.865 0.909 1.00 0.00 N ATOM 952 CA LYS A 63 -5.767 9.727 1.273 1.00 0.00 C ATOM 953 C LYS A 63 -6.352 8.498 0.573 1.00 0.00 C ATOM 954 O LYS A 63 -7.190 7.798 1.139 1.00 0.00 O ATOM 955 CB LYS A 63 -6.528 11.022 0.980 1.00 0.00 C ATOM 956 CG LYS A 63 -6.732 11.839 2.257 1.00 0.00 C ATOM 957 CD LYS A 63 -5.758 13.017 2.316 1.00 0.00 C ATOM 958 CE LYS A 63 -4.350 12.547 2.684 1.00 0.00 C ATOM 959 NZ LYS A 63 -3.489 13.703 3.020 1.00 0.00 N ATOM 0 H LYS A 63 -4.140 10.723 0.407 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.867 9.562 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.977 11.614 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.495 10.787 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.757 12.208 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.589 11.200 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.735 13.523 1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.106 13.744 3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.398 11.863 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.916 11.993 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.735 13.793 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.062 14.571 3.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.064 13.558 3.958 1.00 0.00 H new ATOM 973 N ARG A 64 -5.887 8.274 -0.647 1.00 0.00 N ATOM 974 CA ARG A 64 -6.354 7.143 -1.430 1.00 0.00 C ATOM 975 C ARG A 64 -5.779 5.839 -0.873 1.00 0.00 C ATOM 976 O ARG A 64 -6.493 4.845 -0.747 1.00 0.00 O ATOM 977 CB ARG A 64 -5.949 7.284 -2.898 1.00 0.00 C ATOM 978 CG ARG A 64 -7.181 7.339 -3.804 1.00 0.00 C ATOM 979 CD ARG A 64 -6.889 8.133 -5.079 1.00 0.00 C ATOM 980 NE ARG A 64 -8.131 8.301 -5.866 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.244 9.111 -6.927 1.00 0.00 C ATOM 982 NH1 ARG A 64 -7.190 9.832 -7.335 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.410 9.200 -7.581 1.00 0.00 N ATOM 0 H ARG A 64 -5.191 8.857 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.442 7.122 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.356 8.189 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.318 6.444 -3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.491 6.327 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.011 7.798 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.476 9.109 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.138 7.615 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.952 7.767 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.302 9.764 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.276 10.449 -8.143 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.212 8.651 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.496 9.817 -8.389 1.00 0.00 H new ATOM 997 N MET A 65 -4.494 5.885 -0.553 1.00 0.00 N ATOM 998 CA MET A 65 -3.815 4.720 -0.012 1.00 0.00 C ATOM 999 C MET A 65 -4.552 4.176 1.214 1.00 0.00 C ATOM 1000 O MET A 65 -4.968 3.018 1.230 1.00 0.00 O ATOM 1001 CB MET A 65 -2.384 5.097 0.378 1.00 0.00 C ATOM 1002 CG MET A 65 -1.370 4.447 -0.565 1.00 0.00 C ATOM 1003 SD MET A 65 -0.048 3.705 0.377 1.00 0.00 S ATOM 1004 CE MET A 65 -0.827 2.168 0.845 1.00 0.00 C ATOM 0 H MET A 65 -3.905 6.711 -0.658 1.00 0.00 H new ATOM 0 HA MET A 65 -3.800 3.944 -0.778 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.269 6.181 0.350 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.187 4.782 1.403 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.862 3.690 -1.175 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.966 5.194 -1.248 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.969 2.146 1.926 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.795 2.085 0.350 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.194 1.333 0.545 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.690 5.037 2.211 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.369 4.657 3.439 1.00 0.00 C ATOM 1016 C ALA A 66 -6.578 3.783 3.098 1.00 0.00 C ATOM 1017 O ALA A 66 -6.886 2.836 3.820 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.760 5.916 4.216 1.00 0.00 C ATOM 0 H ALA A 66 -4.344 5.996 2.194 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.708 4.071 4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.269 5.632 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.864 6.487 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.426 6.527 3.607 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.230 4.133 1.999 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.398 3.392 1.554 1.00 0.00 C ATOM 1026 C LEU A 67 -8.015 1.927 1.336 1.00 0.00 C ATOM 1027 O LEU A 67 -8.533 1.039 2.010 1.00 0.00 O ATOM 1028 CB LEU A 67 -9.017 4.056 0.322 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.146 5.580 0.376 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.041 6.094 -0.753 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -9.634 6.041 1.750 1.00 0.00 C ATOM 0 H LEU A 67 -6.972 4.920 1.404 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.174 3.408 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.417 3.793 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.009 3.632 0.165 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.157 6.012 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.116 7.180 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.611 5.813 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.034 5.656 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.717 7.128 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.610 5.601 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.924 5.724 2.514 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.110 1.720 0.390 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.651 0.378 0.074 1.00 0.00 C ATOM 1045 C LEU A 68 -6.279 -0.347 1.369 1.00 0.00 C ATOM 1046 O LEU A 68 -6.559 -1.535 1.521 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.517 0.427 -0.951 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.430 -0.640 -0.800 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.533 -0.687 -2.039 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.625 -0.425 0.483 1.00 0.00 C ATOM 0 H LEU A 68 -6.682 2.459 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.449 -0.197 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.950 0.338 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.046 1.408 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.915 -1.613 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.769 -1.453 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.136 -0.924 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.054 0.282 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.860 -1.197 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.150 0.556 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.291 -0.481 1.344 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.654 0.398 2.268 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.241 -0.159 3.545 1.00 0.00 C ATOM 1064 C VAL A 69 -6.478 -0.613 4.323 1.00 0.00 C ATOM 1065 O VAL A 69 -6.648 -1.802 4.587 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.393 0.859 4.311 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.210 0.433 5.769 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -3.041 1.071 3.627 1.00 0.00 C ATOM 0 H VAL A 69 -5.423 1.383 2.138 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.612 -1.036 3.393 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.924 1.811 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.604 1.173 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.185 0.357 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.711 -0.535 5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.458 1.799 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.501 0.125 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.200 1.440 2.614 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.310 0.359 4.668 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.526 0.075 5.410 1.00 0.00 C ATOM 1080 C GLN A 70 -9.150 -1.236 4.926 1.00 0.00 C ATOM 1081 O GLN A 70 -9.660 -2.018 5.726 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.522 1.231 5.295 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.987 2.486 5.989 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.269 2.444 7.492 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -10.374 2.683 7.949 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.210 2.127 8.232 1.00 0.00 N ATOM 0 H GLN A 70 -7.166 1.344 4.447 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.268 -0.035 6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.715 1.446 4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.474 0.942 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.914 2.570 5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.449 3.372 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.313 1.939 7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.295 2.072 9.247 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.088 -1.435 3.617 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.641 -2.637 3.016 1.00 0.00 C ATOM 1097 C GLU A 71 -8.795 -3.855 3.392 1.00 0.00 C ATOM 1098 O GLU A 71 -9.319 -4.851 3.888 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.748 -2.491 1.497 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.467 -1.195 1.120 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.986 -1.378 1.163 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.436 -2.189 2.001 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.662 -0.704 0.356 1.00 0.00 O ATOM 0 H GLU A 71 -8.663 -0.784 2.956 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.648 -2.785 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.751 -2.499 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.287 -3.343 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.173 -0.400 1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.163 -0.884 0.121 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.499 -3.736 3.142 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.575 -4.814 3.448 1.00 0.00 C ATOM 1112 C LEU A 72 -6.757 -5.238 4.907 1.00 0.00 C ATOM 1113 O LEU A 72 -6.431 -6.365 5.275 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.142 -4.407 3.100 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.156 -5.554 2.868 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.218 -5.244 1.700 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.386 -5.883 4.149 1.00 0.00 C ATOM 0 H LEU A 72 -7.067 -2.909 2.731 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.792 -5.687 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.169 -3.790 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.758 -3.781 3.905 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.725 -6.443 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.528 -6.075 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.803 -5.098 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.654 -4.337 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.692 -6.701 3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.829 -5.004 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.087 -6.178 4.930 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.277 -4.311 5.698 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.506 -4.574 7.108 1.00 0.00 C ATOM 1131 C LEU A 73 -8.714 -5.501 7.260 1.00 0.00 C ATOM 1132 O LEU A 73 -8.655 -6.489 7.990 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.637 -3.262 7.884 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.357 -2.435 8.023 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.647 -1.081 8.675 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.279 -3.215 8.778 1.00 0.00 C ATOM 0 H LEU A 73 -7.546 -3.377 5.389 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.650 -5.090 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.392 -2.647 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.010 -3.489 8.883 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.970 -2.235 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.721 -0.513 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.356 -0.526 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.071 -1.238 9.667 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.380 -2.604 8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.642 -3.466 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.045 -4.131 8.235 1.00 0.00 H new ATOM 1148 N HIS A 74 -9.782 -5.148 6.559 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.002 -5.936 6.607 1.00 0.00 C ATOM 1150 C HIS A 74 -10.837 -7.190 5.747 1.00 0.00 C ATOM 1151 O HIS A 74 -11.741 -8.021 5.674 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.210 -5.091 6.198 1.00 0.00 C ATOM 1153 CG HIS A 74 -12.686 -4.141 7.271 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.010 -3.759 7.401 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.002 -3.501 8.263 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.107 -2.926 8.427 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -12.862 -2.767 8.959 1.00 0.00 N ATOM 0 H HIS A 74 -9.828 -4.327 5.955 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.189 -6.262 7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.955 -4.518 5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.030 -5.756 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.941 -3.578 8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.013 -2.456 8.780 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.629 -2.180 9.760 1.00 0.00 H new ATOM 1165 N HIS A 75 -9.676 -7.287 5.116 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.381 -8.426 4.263 1.00 0.00 C ATOM 1167 C HIS A 75 -9.863 -8.140 2.840 1.00 0.00 C ATOM 1168 O HIS A 75 -9.620 -8.929 1.928 1.00 0.00 O ATOM 1169 CB HIS A 75 -9.978 -9.709 4.844 1.00 0.00 C ATOM 1170 CG HIS A 75 -9.942 -9.775 6.353 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -9.039 -9.276 7.245 1.00 0.00 N flip ATOM 1172 CD2 HIS A 75 -10.916 -10.415 7.099 1.00 0.00 C flip ATOM 1173 CE1 HIS A 75 -9.441 -9.592 8.470 1.00 0.00 C flip ATOM 1174 NE2 HIS A 75 -10.604 -10.299 8.381 1.00 0.00 N flip ATOM 0 H HIS A 75 -8.929 -6.596 5.178 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.303 -8.583 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.012 -9.800 4.511 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.437 -10.565 4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.783 -10.923 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -8.931 -9.332 9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -11.140 -10.673 9.164 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.537 -7.009 2.694 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.056 -6.609 1.397 1.00 0.00 C ATOM 1184 C GLN A 76 -9.906 -6.379 0.413 1.00 0.00 C ATOM 1185 O GLN A 76 -9.504 -5.241 0.177 1.00 0.00 O ATOM 1186 CB GLN A 76 -11.931 -5.360 1.518 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.271 -5.691 2.178 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.309 -6.106 1.134 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.075 -6.958 0.293 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.466 -5.457 1.234 1.00 0.00 N ATOM 0 H GLN A 76 -10.736 -6.357 3.453 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.681 -7.415 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.410 -4.602 2.104 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.104 -4.935 0.529 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.135 -6.495 2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.632 -4.824 2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.596 -4.755 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.224 -5.662 0.582 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.409 -7.479 -0.134 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.314 -7.412 -1.086 1.00 0.00 C ATOM 1201 C TRP A 77 -8.874 -6.905 -2.416 1.00 0.00 C ATOM 1202 O TRP A 77 -8.183 -6.212 -3.161 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.612 -8.766 -1.210 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.772 -9.665 0.017 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.645 -10.666 0.198 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.000 -9.604 1.235 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.492 -11.252 1.438 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.460 -10.586 2.089 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -5.947 -8.748 1.603 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -6.926 -10.804 3.364 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.425 -8.978 2.881 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -5.876 -9.963 3.752 1.00 0.00 C ATOM 0 H TRP A 77 -9.745 -8.422 0.064 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.547 -6.717 -0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.003 -9.288 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.550 -8.598 -1.388 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.376 -10.975 -0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.036 -12.031 1.809 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.571 -7.974 0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.304 -11.579 4.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.615 -8.346 3.214 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -5.419 -10.079 4.723 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.121 -7.271 -2.674 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.782 -6.861 -3.902 1.00 0.00 C ATOM 1225 C ASP A 78 -10.853 -5.334 -3.953 1.00 0.00 C ATOM 1226 O ASP A 78 -10.706 -4.738 -5.019 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.212 -7.403 -3.964 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.986 -7.039 -5.233 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -12.350 -7.051 -6.309 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -14.196 -6.757 -5.097 1.00 0.00 O ATOM 0 H ASP A 78 -10.691 -7.847 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.209 -7.255 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.177 -8.489 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.764 -7.031 -3.101 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.077 -4.744 -2.788 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.169 -3.298 -2.687 1.00 0.00 C ATOM 1237 C ALA A 79 -9.770 -2.692 -2.811 1.00 0.00 C ATOM 1238 O ALA A 79 -9.556 -1.769 -3.595 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.853 -2.920 -1.371 1.00 0.00 C ATOM 0 H ALA A 79 -11.197 -5.242 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.776 -2.895 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.922 -1.835 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.854 -3.350 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.271 -3.306 -0.534 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.852 -3.237 -2.025 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.479 -2.762 -2.038 1.00 0.00 C ATOM 1247 C ALA A 80 -6.997 -2.646 -3.485 1.00 0.00 C ATOM 1248 O ALA A 80 -6.454 -1.616 -3.882 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.606 -3.703 -1.206 1.00 0.00 C ATOM 0 H ALA A 80 -9.033 -4.003 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.411 -1.771 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.576 -3.347 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.972 -3.727 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.647 -4.707 -1.629 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.212 -3.718 -4.234 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.806 -3.749 -5.629 1.00 0.00 C ATOM 1257 C ASP A 81 -7.501 -2.614 -6.384 1.00 0.00 C ATOM 1258 O ASP A 81 -6.899 -1.979 -7.248 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.206 -5.070 -6.289 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.798 -5.209 -7.757 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -7.092 -4.264 -8.520 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.201 -6.258 -8.084 1.00 0.00 O ATOM 0 H ASP A 81 -7.662 -4.571 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.722 -3.640 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.762 -5.890 -5.725 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.288 -5.182 -6.216 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.759 -2.394 -6.030 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.542 -1.347 -6.663 1.00 0.00 C ATOM 1269 C ASP A 82 -8.834 -0.003 -6.476 1.00 0.00 C ATOM 1270 O ASP A 82 -8.466 0.650 -7.452 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.932 -1.241 -6.032 1.00 0.00 C ATOM 1272 CG ASP A 82 -12.062 -0.910 -7.010 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.944 -1.337 -8.178 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.017 -0.237 -6.566 1.00 0.00 O ATOM 0 H ASP A 82 -9.255 -2.923 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.644 -1.594 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.164 -2.185 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.906 -0.474 -5.258 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.665 0.370 -5.216 1.00 0.00 N ATOM 1280 CA ILE A 83 -8.008 1.624 -4.889 1.00 0.00 C ATOM 1281 C ILE A 83 -6.587 1.613 -5.455 1.00 0.00 C ATOM 1282 O ILE A 83 -6.095 2.638 -5.926 1.00 0.00 O ATOM 1283 CB ILE A 83 -8.068 1.883 -3.382 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.516 1.939 -2.893 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.288 3.147 -3.012 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.693 1.126 -1.609 1.00 0.00 C ATOM 0 H ILE A 83 -8.972 -0.174 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.530 2.460 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.588 1.048 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.803 2.975 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.180 1.553 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.346 3.309 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.245 3.030 -3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.717 4.004 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.731 1.183 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.428 0.086 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.046 1.530 -0.831 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.967 0.444 -5.390 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.612 0.286 -5.891 1.00 0.00 C ATOM 1300 C HIS A 84 -4.572 0.632 -7.381 1.00 0.00 C ATOM 1301 O HIS A 84 -3.648 1.301 -7.841 1.00 0.00 O ATOM 1302 CB HIS A 84 -4.084 -1.118 -5.594 1.00 0.00 C ATOM 1303 CG HIS A 84 -3.180 -1.674 -6.668 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -2.139 -1.104 -7.341 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -3.304 -2.962 -7.160 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.653 -1.996 -8.195 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -2.374 -3.148 -8.085 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.378 -0.403 -4.998 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.946 0.978 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.540 -1.098 -4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.930 -1.792 -5.460 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.793 -0.153 -7.210 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.035 -3.691 -6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.823 -1.836 -8.867 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.585 0.161 -8.093 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.677 0.412 -9.521 1.00 0.00 C ATOM 1317 C ARG A 85 -5.748 1.917 -9.792 1.00 0.00 C ATOM 1318 O ARG A 85 -4.962 2.447 -10.576 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.910 -0.265 -10.121 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.617 -1.725 -10.474 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.821 -1.824 -11.777 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.658 -3.244 -12.164 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.167 -3.649 -13.342 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -4.787 -2.747 -14.256 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.056 -4.958 -13.607 1.00 0.00 N ATOM 0 H ARG A 85 -6.349 -0.393 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.784 -0.004 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.737 -0.217 -9.412 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.226 0.273 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.057 -2.193 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.553 -2.274 -10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.335 -1.279 -12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.844 -1.358 -11.652 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.937 -3.958 -11.491 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.871 -1.751 -14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.413 -3.056 -15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.346 -5.646 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.682 -5.267 -14.504 1.00 0.00 H new ATOM 1339 N SER A 86 -6.696 2.561 -9.128 1.00 0.00 N ATOM 1340 CA SER A 86 -6.879 3.994 -9.287 1.00 0.00 C ATOM 1341 C SER A 86 -5.557 4.722 -9.037 1.00 0.00 C ATOM 1342 O SER A 86 -5.180 5.611 -9.798 1.00 0.00 O ATOM 1343 CB SER A 86 -7.961 4.519 -8.342 1.00 0.00 C ATOM 1344 OG SER A 86 -7.746 5.883 -7.989 1.00 0.00 O ATOM 0 H SER A 86 -7.346 2.117 -8.479 1.00 0.00 H new ATOM 0 HA SER A 86 -7.204 4.186 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.937 4.417 -8.816 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.980 3.909 -7.439 1.00 0.00 H new ATOM 0 HG SER A 86 -8.459 6.181 -7.386 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.888 4.317 -7.967 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.616 4.919 -7.607 1.00 0.00 C ATOM 1352 C LEU A 87 -2.589 4.624 -8.701 1.00 0.00 C ATOM 1353 O LEU A 87 -1.756 5.470 -9.021 1.00 0.00 O ATOM 1354 CB LEU A 87 -3.181 4.459 -6.214 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.584 5.368 -5.051 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -3.437 4.643 -3.712 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.797 6.680 -5.082 1.00 0.00 C ATOM 0 H LEU A 87 -5.204 3.579 -7.338 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.712 6.003 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.596 3.467 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.096 4.356 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.638 5.622 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.730 5.311 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.077 3.761 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.399 4.340 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.103 7.308 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.731 6.467 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.996 7.202 -6.018 1.00 0.00 H new ATOM 1369 N MET A 88 -2.681 3.419 -9.245 1.00 0.00 N ATOM 1370 CA MET A 88 -1.770 3.001 -10.297 1.00 0.00 C ATOM 1371 C MET A 88 -2.204 3.562 -11.653 1.00 0.00 C ATOM 1372 O MET A 88 -1.473 3.453 -12.636 1.00 0.00 O ATOM 1373 CB MET A 88 -1.734 1.473 -10.364 1.00 0.00 C ATOM 1374 CG MET A 88 -0.458 0.926 -9.721 1.00 0.00 C ATOM 1375 SD MET A 88 0.552 0.125 -10.956 1.00 0.00 S ATOM 1376 CE MET A 88 2.136 0.860 -10.585 1.00 0.00 C ATOM 0 H MET A 88 -3.373 2.719 -8.977 1.00 0.00 H new ATOM 0 HA MET A 88 -0.777 3.387 -10.066 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.606 1.062 -9.856 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.789 1.150 -11.403 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.100 1.737 -9.253 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.713 0.218 -8.932 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.717 0.954 -11.502 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.986 1.847 -10.148 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.674 0.228 -9.878 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.391 4.149 -11.662 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.931 4.727 -12.881 1.00 0.00 C ATOM 1388 C VAL A 89 -3.436 6.168 -13.020 1.00 0.00 C ATOM 1389 O VAL A 89 -3.044 6.592 -14.106 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.457 4.617 -12.881 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.062 5.382 -14.060 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.901 3.153 -12.892 1.00 0.00 C ATOM 0 H VAL A 89 -3.995 4.237 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.579 4.176 -13.753 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.826 5.072 -11.962 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.148 5.288 -14.036 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.788 6.435 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.682 4.970 -14.995 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.990 3.103 -12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.515 2.663 -13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.514 2.649 -12.006 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.471 6.882 -11.904 1.00 0.00 N ATOM 1403 CA ASP A 90 -3.031 8.267 -11.888 1.00 0.00 C ATOM 1404 C ASP A 90 -1.571 8.328 -11.434 1.00 0.00 C ATOM 1405 O ASP A 90 -0.683 8.638 -12.227 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.865 9.098 -10.911 1.00 0.00 C ATOM 1407 CG ASP A 90 -5.276 9.439 -11.393 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.404 9.760 -12.595 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -6.196 9.370 -10.550 1.00 0.00 O ATOM 0 H ASP A 90 -3.797 6.527 -11.005 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.147 8.670 -12.894 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.940 8.556 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.334 10.027 -10.702 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.367 8.027 -10.160 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.031 8.044 -9.591 1.00 0.00 C ATOM 1416 C HIS A 91 0.608 6.661 -9.739 1.00 0.00 C ATOM 1417 O HIS A 91 0.860 5.980 -8.746 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.063 8.530 -8.140 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.180 9.501 -7.843 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -2.512 9.292 -7.634 1.00 0.00 N flip ATOM 1421 CD2 HIS A 91 -0.978 10.866 -7.734 1.00 0.00 C flip ATOM 1422 CE1 HIS A 91 -3.091 10.464 -7.409 1.00 0.00 C flip ATOM 1423 NE2 HIS A 91 -2.142 11.442 -7.471 1.00 0.00 N flip ATOM 0 H HIS A 91 -2.106 7.770 -9.505 1.00 0.00 H new ATOM 0 HA HIS A 91 0.591 8.754 -10.137 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.160 7.667 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.890 9.005 -7.905 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.032 11.375 -7.845 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.141 10.619 -7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.301 12.441 -7.338 1.00 0.00 H new ATOM 1431 N VAL A 92 0.851 6.288 -10.987 1.00 0.00 N ATOM 1432 CA VAL A 92 1.454 4.998 -11.277 1.00 0.00 C ATOM 1433 C VAL A 92 2.962 5.078 -11.028 1.00 0.00 C ATOM 1434 O VAL A 92 3.625 4.054 -10.874 1.00 0.00 O ATOM 1435 CB VAL A 92 1.106 4.567 -12.704 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.074 5.184 -13.715 1.00 0.00 C ATOM 1437 CG2 VAL A 92 1.085 3.042 -12.825 1.00 0.00 C ATOM 0 H VAL A 92 0.642 6.856 -11.808 1.00 0.00 H new ATOM 0 HA VAL A 92 1.055 4.231 -10.613 1.00 0.00 H new ATOM 0 HB VAL A 92 0.106 4.936 -12.931 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.804 4.862 -14.721 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.018 6.271 -13.655 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.090 4.860 -13.490 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.835 2.762 -13.848 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.066 2.643 -12.569 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.338 2.633 -12.144 1.00 0.00 H new ATOM 1447 N THR A 93 3.460 6.306 -10.997 1.00 0.00 N ATOM 1448 CA THR A 93 4.877 6.533 -10.769 1.00 0.00 C ATOM 1449 C THR A 93 5.162 6.663 -9.272 1.00 0.00 C ATOM 1450 O THR A 93 5.926 5.878 -8.711 1.00 0.00 O ATOM 1451 CB THR A 93 5.294 7.764 -11.576 1.00 0.00 C ATOM 1452 OG1 THR A 93 4.620 8.844 -10.936 1.00 0.00 O ATOM 1453 CG2 THR A 93 4.721 7.756 -12.995 1.00 0.00 C ATOM 0 H THR A 93 2.907 7.154 -11.126 1.00 0.00 H new ATOM 0 HA THR A 93 5.473 5.686 -11.109 1.00 0.00 H new ATOM 0 HB THR A 93 6.382 7.814 -11.624 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.836 9.682 -11.395 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.047 8.651 -13.524 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.075 6.872 -13.525 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.632 7.739 -12.948 1.00 0.00 H new ATOM 1461 N GLU A 94 4.533 7.660 -8.666 1.00 0.00 N ATOM 1462 CA GLU A 94 4.710 7.903 -7.245 1.00 0.00 C ATOM 1463 C GLU A 94 4.666 6.583 -6.471 1.00 0.00 C ATOM 1464 O GLU A 94 5.594 6.262 -5.731 1.00 0.00 O ATOM 1465 CB GLU A 94 3.657 8.881 -6.721 1.00 0.00 C ATOM 1466 CG GLU A 94 3.769 10.236 -7.424 1.00 0.00 C ATOM 1467 CD GLU A 94 4.666 11.191 -6.634 1.00 0.00 C ATOM 1468 OE1 GLU A 94 5.746 10.731 -6.205 1.00 0.00 O ATOM 1469 OE2 GLU A 94 4.252 12.360 -6.478 1.00 0.00 O ATOM 0 H GLU A 94 3.900 8.309 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 94 5.689 8.358 -7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.661 8.467 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.781 9.013 -5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.173 10.097 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.777 10.674 -7.538 1.00 0.00 H new ATOM 1476 N VAL A 95 3.577 5.855 -6.669 1.00 0.00 N ATOM 1477 CA VAL A 95 3.399 4.578 -5.999 1.00 0.00 C ATOM 1478 C VAL A 95 4.535 3.634 -6.400 1.00 0.00 C ATOM 1479 O VAL A 95 4.964 2.800 -5.604 1.00 0.00 O ATOM 1480 CB VAL A 95 2.013 4.011 -6.312 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.918 5.027 -5.979 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.921 3.563 -7.772 1.00 0.00 C ATOM 0 H VAL A 95 2.809 6.125 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 95 3.447 4.705 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 95 1.859 3.134 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.058 4.600 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.963 5.276 -4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.068 5.930 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.926 3.164 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.106 4.415 -8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.666 2.790 -7.963 1.00 0.00 H new ATOM 1492 N SER A 96 4.990 3.798 -7.633 1.00 0.00 N ATOM 1493 CA SER A 96 6.068 2.971 -8.149 1.00 0.00 C ATOM 1494 C SER A 96 7.272 3.034 -7.208 1.00 0.00 C ATOM 1495 O SER A 96 7.285 3.821 -6.263 1.00 0.00 O ATOM 1496 CB SER A 96 6.472 3.410 -9.558 1.00 0.00 C ATOM 1497 OG SER A 96 7.559 4.331 -9.539 1.00 0.00 O ATOM 0 H SER A 96 4.632 4.491 -8.290 1.00 0.00 H new ATOM 0 HA SER A 96 5.713 1.942 -8.206 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.749 2.534 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.617 3.869 -10.054 1.00 0.00 H new ATOM 0 HG SER A 96 7.239 5.209 -9.244 1.00 0.00 H new ATOM 1503 N GLN A 97 8.255 2.194 -7.499 1.00 0.00 N ATOM 1504 CA GLN A 97 9.461 2.145 -6.690 1.00 0.00 C ATOM 1505 C GLN A 97 9.172 1.469 -5.348 1.00 0.00 C ATOM 1506 O GLN A 97 10.025 1.453 -4.461 1.00 0.00 O ATOM 1507 CB GLN A 97 10.042 3.545 -6.486 1.00 0.00 C ATOM 1508 CG GLN A 97 11.446 3.649 -7.086 1.00 0.00 C ATOM 1509 CD GLN A 97 11.900 5.107 -7.169 1.00 0.00 C ATOM 1510 OE1 GLN A 97 11.132 6.035 -6.978 1.00 0.00 O ATOM 1511 NE2 GLN A 97 13.188 5.257 -7.465 1.00 0.00 N ATOM 0 H GLN A 97 8.241 1.542 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 97 10.207 1.553 -7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.389 4.285 -6.949 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.080 3.775 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 97 12.149 3.080 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.454 3.205 -8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.776 4.437 -7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.588 6.192 -7.544 1.00 0.00 H new ATOM 1520 N TRP A 98 7.967 0.929 -5.240 1.00 0.00 N ATOM 1521 CA TRP A 98 7.556 0.255 -4.021 1.00 0.00 C ATOM 1522 C TRP A 98 6.213 -0.428 -4.289 1.00 0.00 C ATOM 1523 O TRP A 98 5.996 -1.565 -3.873 1.00 0.00 O ATOM 1524 CB TRP A 98 7.506 1.231 -2.844 1.00 0.00 C ATOM 1525 CG TRP A 98 6.531 2.393 -3.040 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.758 3.568 -3.645 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.157 2.446 -2.604 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.635 4.370 -3.629 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.630 3.666 -2.976 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.383 1.493 -1.917 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.311 4.046 -2.706 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 3.066 1.889 -1.654 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.522 3.114 -2.022 1.00 0.00 C ATOM 0 H TRP A 98 7.262 0.945 -5.977 1.00 0.00 H new ATOM 0 HA TRP A 98 8.283 -0.505 -3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.227 0.684 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.505 1.633 -2.676 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.701 3.851 -4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.557 5.307 -4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.774 0.532 -1.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.922 5.007 -3.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.428 1.194 -1.128 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.495 3.346 -1.781 1.00 0.00 H new ATOM 1544 N MET A 99 5.345 0.295 -4.982 1.00 0.00 N ATOM 1545 CA MET A 99 4.029 -0.226 -5.310 1.00 0.00 C ATOM 1546 C MET A 99 4.093 -1.724 -5.612 1.00 0.00 C ATOM 1547 O MET A 99 3.304 -2.503 -5.078 1.00 0.00 O ATOM 1548 CB MET A 99 3.474 0.517 -6.526 1.00 0.00 C ATOM 1549 CG MET A 99 2.182 -0.133 -7.024 1.00 0.00 C ATOM 1550 SD MET A 99 0.806 0.976 -6.778 1.00 0.00 S ATOM 1551 CE MET A 99 0.486 0.695 -5.044 1.00 0.00 C ATOM 0 H MET A 99 5.528 1.238 -5.325 1.00 0.00 H new ATOM 0 HA MET A 99 3.374 -0.075 -4.452 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.284 1.558 -6.265 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.216 0.519 -7.325 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.275 -0.382 -8.081 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.006 -1.067 -6.491 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.415 1.232 -4.749 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.347 -0.372 -4.868 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.331 1.053 -4.455 1.00 0.00 H new ATOM 1561 N VAL A 100 5.040 -2.083 -6.467 1.00 0.00 N ATOM 1562 CA VAL A 100 5.217 -3.475 -6.846 1.00 0.00 C ATOM 1563 C VAL A 100 5.030 -4.363 -5.614 1.00 0.00 C ATOM 1564 O VAL A 100 4.330 -5.373 -5.673 1.00 0.00 O ATOM 1565 CB VAL A 100 6.577 -3.665 -7.519 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.648 -2.896 -8.840 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.714 -3.251 -6.583 1.00 0.00 C ATOM 0 H VAL A 100 5.692 -1.434 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 100 4.464 -3.770 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 100 6.695 -4.725 -7.742 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.625 -3.048 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.871 -3.258 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.498 -1.833 -8.651 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.670 -3.396 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.600 -2.201 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.683 -3.861 -5.680 1.00 0.00 H new ATOM 1577 N GLY A 101 5.667 -3.954 -4.527 1.00 0.00 N ATOM 1578 CA GLY A 101 5.580 -4.700 -3.283 1.00 0.00 C ATOM 1579 C GLY A 101 4.129 -4.806 -2.808 1.00 0.00 C ATOM 1580 O GLY A 101 3.569 -5.899 -2.752 1.00 0.00 O ATOM 0 H GLY A 101 6.246 -3.115 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.994 -5.698 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.182 -4.210 -2.518 1.00 0.00 H new ATOM 1584 N VAL A 102 3.562 -3.654 -2.479 1.00 0.00 N ATOM 1585 CA VAL A 102 2.188 -3.604 -2.010 1.00 0.00 C ATOM 1586 C VAL A 102 1.336 -4.569 -2.838 1.00 0.00 C ATOM 1587 O VAL A 102 0.656 -5.432 -2.286 1.00 0.00 O ATOM 1588 CB VAL A 102 1.673 -2.164 -2.053 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.205 -2.094 -1.629 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.538 -1.246 -1.187 1.00 0.00 C ATOM 0 H VAL A 102 4.029 -2.749 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 102 2.127 -3.926 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 102 1.741 -1.815 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.136 -1.060 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.398 -2.701 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.102 -2.472 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.150 -0.228 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.517 -1.594 -0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.564 -1.261 -1.554 1.00 0.00 H new ATOM 1600 N LYS A 103 1.401 -4.389 -4.149 1.00 0.00 N ATOM 1601 CA LYS A 103 0.644 -5.232 -5.058 1.00 0.00 C ATOM 1602 C LYS A 103 0.781 -6.693 -4.625 1.00 0.00 C ATOM 1603 O LYS A 103 -0.217 -7.396 -4.472 1.00 0.00 O ATOM 1604 CB LYS A 103 1.069 -4.977 -6.505 1.00 0.00 C ATOM 1605 CG LYS A 103 0.553 -6.081 -7.431 1.00 0.00 C ATOM 1606 CD LYS A 103 0.401 -5.567 -8.865 1.00 0.00 C ATOM 1607 CE LYS A 103 0.026 -6.704 -9.817 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.241 -7.393 -10.306 1.00 0.00 N ATOM 0 H LYS A 103 1.966 -3.672 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.416 -4.984 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.686 -4.012 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 103 2.156 -4.926 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.242 -6.926 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.408 -6.446 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.365 -4.792 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.334 -5.107 -9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.622 -7.416 -9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.539 -6.308 -10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.968 -8.162 -10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.845 -6.714 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.765 -7.788 -9.499 1.00 0.00 H new ATOM 1622 N ARG A 104 2.026 -7.108 -4.440 1.00 0.00 N ATOM 1623 CA ARG A 104 2.306 -8.473 -4.028 1.00 0.00 C ATOM 1624 C ARG A 104 1.731 -8.735 -2.634 1.00 0.00 C ATOM 1625 O ARG A 104 0.957 -9.672 -2.445 1.00 0.00 O ATOM 1626 CB ARG A 104 3.812 -8.744 -4.010 1.00 0.00 C ATOM 1627 CG ARG A 104 4.102 -10.205 -3.659 1.00 0.00 C ATOM 1628 CD ARG A 104 3.815 -11.122 -4.849 1.00 0.00 C ATOM 1629 NE ARG A 104 4.928 -11.053 -5.822 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.989 -11.778 -6.947 1.00 0.00 C ATOM 1631 NH1 ARG A 104 4.000 -12.631 -7.248 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.038 -11.650 -7.771 1.00 0.00 N ATOM 0 H ARG A 104 2.852 -6.523 -4.568 1.00 0.00 H new ATOM 0 HA ARG A 104 1.836 -9.141 -4.750 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.239 -8.509 -4.985 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.294 -8.089 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.144 -10.310 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.492 -10.506 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.685 -12.148 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.882 -10.827 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 104 5.697 -10.413 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.202 -12.728 -6.621 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.046 -13.183 -8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.790 -11.000 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.084 -12.202 -8.627 1.00 0.00 H new ATOM 1646 N LEU A 105 2.132 -7.891 -1.695 1.00 0.00 N ATOM 1647 CA LEU A 105 1.666 -8.020 -0.325 1.00 0.00 C ATOM 1648 C LEU A 105 0.167 -8.327 -0.327 1.00 0.00 C ATOM 1649 O LEU A 105 -0.279 -9.261 0.336 1.00 0.00 O ATOM 1650 CB LEU A 105 2.038 -6.777 0.487 1.00 0.00 C ATOM 1651 CG LEU A 105 1.940 -6.915 2.007 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.265 -6.547 2.678 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.772 -6.096 2.558 1.00 0.00 C ATOM 0 H LEU A 105 2.774 -7.115 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 105 2.162 -8.856 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.059 -6.494 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.392 -5.956 0.174 1.00 0.00 H new ATOM 0 HG LEU A 105 1.739 -7.960 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.168 -6.654 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.052 -7.210 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.521 -5.515 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.725 -6.212 3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.917 -5.044 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.160 -6.447 2.115 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.568 -7.522 -1.080 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.007 -7.696 -1.177 1.00 0.00 C ATOM 1667 C ILE A 106 -2.324 -9.175 -1.404 1.00 0.00 C ATOM 1668 O ILE A 106 -2.899 -9.831 -0.537 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.587 -6.771 -2.249 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.325 -5.303 -1.908 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.075 -7.051 -2.468 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.366 -4.432 -3.165 1.00 0.00 C ATOM 0 H ILE A 106 -0.194 -6.748 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.489 -7.406 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.078 -6.979 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.071 -4.953 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.352 -5.206 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.462 -6.380 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.207 -8.084 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.617 -6.889 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.177 -3.393 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.603 -4.769 -3.866 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.348 -4.512 -3.631 1.00 0.00 H new ATOM 1684 N ALA A 107 -1.934 -9.658 -2.575 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.169 -11.048 -2.927 1.00 0.00 C ATOM 1686 C ALA A 107 -1.700 -11.946 -1.781 1.00 0.00 C ATOM 1687 O ALA A 107 -2.423 -12.847 -1.358 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.461 -11.367 -4.245 1.00 0.00 C ATOM 0 H ALA A 107 -1.457 -9.111 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.233 -11.232 -3.075 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.637 -12.410 -4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.851 -10.722 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.390 -11.197 -4.133 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.493 -11.669 -1.310 1.00 0.00 N ATOM 1695 CA GLU A 108 0.081 -12.441 -0.221 1.00 0.00 C ATOM 1696 C GLU A 108 -0.900 -12.516 0.951 1.00 0.00 C ATOM 1697 O GLU A 108 -1.425 -13.585 1.258 1.00 0.00 O ATOM 1698 CB GLU A 108 1.421 -11.850 0.223 1.00 0.00 C ATOM 1699 CG GLU A 108 2.578 -12.457 -0.573 1.00 0.00 C ATOM 1700 CD GLU A 108 3.875 -11.682 -0.333 1.00 0.00 C ATOM 1701 OE1 GLU A 108 4.034 -11.178 0.800 1.00 0.00 O ATOM 1702 OE2 GLU A 108 4.677 -11.609 -1.289 1.00 0.00 O ATOM 0 H GLU A 108 0.103 -10.920 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 108 0.268 -13.454 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.409 -10.769 0.087 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.570 -12.035 1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.715 -13.499 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.337 -12.449 -1.636 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.119 -11.367 1.573 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.027 -11.289 2.704 1.00 0.00 C ATOM 1711 C LYS A 109 -3.261 -12.149 2.422 1.00 0.00 C ATOM 1712 O LYS A 109 -3.613 -13.017 3.219 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.356 -9.830 3.029 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.217 -9.173 3.812 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.242 -9.605 5.280 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.299 -8.826 6.064 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.420 -9.356 7.440 1.00 0.00 N ATOM 0 H LYS A 109 -0.683 -10.482 1.315 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.554 -11.692 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.533 -9.279 2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.277 -9.782 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.260 -9.444 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.304 -8.088 3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.450 -10.673 5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.261 -9.444 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.031 -7.770 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.261 -8.895 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.142 -8.816 7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.698 -10.358 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.506 -9.268 7.928 1.00 0.00 H new ATOM 1731 N LYS A 110 -3.885 -11.877 1.285 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.072 -12.614 0.887 1.00 0.00 C ATOM 1733 C LYS A 110 -4.784 -14.115 0.964 1.00 0.00 C ATOM 1734 O LYS A 110 -5.562 -14.871 1.543 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.555 -12.151 -0.488 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.707 -13.025 -0.988 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.072 -12.678 -2.433 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.973 -13.753 -3.044 1.00 0.00 C ATOM 1739 NZ LYS A 110 -8.130 -13.532 -4.499 1.00 0.00 N ATOM 0 H LYS A 110 -3.590 -11.156 0.627 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.894 -12.410 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.880 -11.112 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.730 -12.189 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.426 -14.076 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.577 -12.888 -0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.579 -11.714 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.164 -12.579 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.546 -14.739 -2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.950 -13.736 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.744 -14.270 -4.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.558 -12.599 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.198 -13.571 -4.959 1.00 0.00 H new ATOM 1753 N SER A 111 -3.663 -14.501 0.372 1.00 0.00 N ATOM 1754 CA SER A 111 -3.263 -15.898 0.366 1.00 0.00 C ATOM 1755 C SER A 111 -3.424 -16.495 1.766 1.00 0.00 C ATOM 1756 O SER A 111 -4.014 -17.562 1.925 1.00 0.00 O ATOM 1757 CB SER A 111 -1.819 -16.055 -0.115 1.00 0.00 C ATOM 1758 OG SER A 111 -1.701 -17.037 -1.141 1.00 0.00 O ATOM 0 H SER A 111 -3.019 -13.871 -0.107 1.00 0.00 H new ATOM 0 HA SER A 111 -3.909 -16.436 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.455 -15.097 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.185 -16.333 0.727 1.00 0.00 H new ATOM 0 HG SER A 111 -0.765 -17.106 -1.422 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.889 -15.779 2.744 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.966 -16.225 4.125 1.00 0.00 C ATOM 1766 C LEU A 112 -4.422 -16.541 4.474 1.00 0.00 C ATOM 1767 O LEU A 112 -4.712 -17.583 5.060 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.320 -15.197 5.056 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.878 -14.807 4.727 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.446 -13.578 5.529 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.071 -15.989 4.934 1.00 0.00 C ATOM 0 H LEU A 112 -2.401 -14.894 2.608 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.398 -17.146 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.931 -14.294 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.346 -15.590 6.072 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.830 -14.537 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.583 -13.322 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.098 -12.739 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.514 -13.797 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.089 -15.684 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.026 -16.314 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.225 -16.812 4.283 1.00 0.00 H new ATOM 1783 N SER A 113 -5.300 -15.622 4.099 1.00 0.00 N ATOM 1784 CA SER A 113 -6.719 -15.790 4.365 1.00 0.00 C ATOM 1785 C SER A 113 -7.446 -16.199 3.083 1.00 0.00 C ATOM 1786 O SER A 113 -6.880 -16.889 2.236 1.00 0.00 O ATOM 1787 CB SER A 113 -7.328 -14.507 4.934 1.00 0.00 C ATOM 1788 OG SER A 113 -8.419 -14.777 5.810 1.00 0.00 O ATOM 0 H SER A 113 -5.056 -14.759 3.613 1.00 0.00 H new ATOM 0 HA SER A 113 -6.837 -16.577 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.561 -13.949 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.669 -13.873 4.115 1.00 0.00 H new ATOM 0 HG SER A 113 -8.779 -13.933 6.154 1.00 0.00 H new ATOM 1794 N GLY A 114 -8.691 -15.757 2.980 1.00 0.00 N ATOM 1795 CA GLY A 114 -9.502 -16.069 1.815 1.00 0.00 C ATOM 1796 C GLY A 114 -10.194 -17.424 1.976 1.00 0.00 C ATOM 1797 O GLY A 114 -9.765 -18.418 1.391 1.00 0.00 O ATOM 0 H GLY A 114 -9.158 -15.185 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.250 -15.290 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.875 -16.080 0.923 1.00 0.00 H new ATOM 1801 N PRO A 115 -11.281 -17.421 2.793 1.00 0.00 N ATOM 1802 CA PRO A 115 -12.037 -18.638 3.038 1.00 0.00 C ATOM 1803 C PRO A 115 -12.903 -18.999 1.830 1.00 0.00 C ATOM 1804 O PRO A 115 -13.077 -18.187 0.922 1.00 0.00 O ATOM 1805 CB PRO A 115 -12.852 -18.350 4.288 1.00 0.00 C ATOM 1806 CG PRO A 115 -12.878 -16.836 4.429 1.00 0.00 C ATOM 1807 CD PRO A 115 -11.818 -16.264 3.502 1.00 0.00 C ATOM 0 HA PRO A 115 -11.397 -19.507 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.861 -18.751 4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.401 -18.816 5.164 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -13.862 -16.445 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.680 -16.545 5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -12.247 -15.540 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.039 -15.747 4.063 1.00 0.00 H new ATOM 1815 N SER A 116 -13.423 -20.217 1.857 1.00 0.00 N ATOM 1816 CA SER A 116 -14.266 -20.695 0.775 1.00 0.00 C ATOM 1817 C SER A 116 -15.428 -21.515 1.340 1.00 0.00 C ATOM 1818 O SER A 116 -16.580 -21.087 1.284 1.00 0.00 O ATOM 1819 CB SER A 116 -13.462 -21.531 -0.222 1.00 0.00 C ATOM 1820 OG SER A 116 -14.281 -22.050 -1.267 1.00 0.00 O ATOM 0 H SER A 116 -13.277 -20.887 2.612 1.00 0.00 H new ATOM 0 HA SER A 116 -14.664 -19.830 0.244 1.00 0.00 H new ATOM 0 HB2 SER A 116 -12.670 -20.919 -0.653 1.00 0.00 H new ATOM 0 HB3 SER A 116 -12.978 -22.355 0.303 1.00 0.00 H new ATOM 0 HG SER A 116 -13.730 -22.576 -1.883 1.00 0.00 H new ATOM 1826 N SER A 117 -15.085 -22.679 1.872 1.00 0.00 N ATOM 1827 CA SER A 117 -16.085 -23.563 2.446 1.00 0.00 C ATOM 1828 C SER A 117 -17.078 -24.002 1.368 1.00 0.00 C ATOM 1829 O SER A 117 -17.162 -23.383 0.308 1.00 0.00 O ATOM 1830 CB SER A 117 -16.823 -22.882 3.601 1.00 0.00 C ATOM 1831 OG SER A 117 -16.365 -23.339 4.870 1.00 0.00 O ATOM 0 H SER A 117 -14.129 -23.030 1.918 1.00 0.00 H new ATOM 0 HA SER A 117 -15.577 -24.442 2.842 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.685 -21.803 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 117 -17.892 -23.073 3.511 1.00 0.00 H new ATOM 0 HG SER A 117 -16.859 -22.880 5.581 1.00 0.00 H new ATOM 1837 N GLY A 118 -17.804 -25.067 1.675 1.00 0.00 N ATOM 1838 CA GLY A 118 -18.787 -25.596 0.745 1.00 0.00 C ATOM 1839 C GLY A 118 -18.114 -26.424 -0.351 1.00 0.00 C ATOM 1840 O GLY A 118 -17.800 -25.905 -1.422 1.00 0.00 O ATOM 0 H GLY A 118 -17.731 -25.578 2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.506 -26.214 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -19.346 -24.775 0.295 1.00 0.00 H new TER 1844 GLY A 118