USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 937 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 110 HIS : no HD1:sc= -0.439 X(o=-0.62,f=-0.93) USER MOD Set 1.2: A 113 HIS : no HD1:sc= -0.178 X(o=-0.62,f=-0.93) USER MOD Set 2.1: A 73 THR OG1 : rot 150:sc= -2.04! USER MOD Set 2.2: A 75 LYS NZ :NH3+ 141:sc= 0.0565 (180deg=0) USER MOD Set 2.3: A 77 GLN : amide:sc= -0.132 K(o=-2.1,f=-4.7!) USER MOD Set 3.1: A 59 CYS SG : rot -139:sc= -2.81! USER MOD Set 3.2: A 60 GLN :FLIP amide:sc= 0.945 F(o=-5.3,f=-1.9) USER MOD Set 4.1: A 13 LYS NZ :NH3+ -111:sc= -0.0222 (180deg=-0.0748) USER MOD Set 4.2: A 79 HIS : no HD1:sc= -0.28 X(o=-0.3,f=0.021) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= 1.47 (180deg=-0.164!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.0075) USER MOD Single : A 20 THR OG1 : rot 150:sc= -0.963 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -128:sc= -7.41! (180deg=-13.9!) USER MOD Single : A 36 TYR OH : rot 180:sc= -4.53! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -107:sc= -0.0764 (180deg=-0.872) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.74 (180deg=-0.078) USER MOD Single : A 40 SER OG : rot 180:sc= -0.413 USER MOD Single : A 42 ASN : amide:sc= -0.198 K(o=-0.2,f=-1) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.118) USER MOD Single : A 47 MET CE :methyl 149:sc= -0.192 (180deg=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0171) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 72:sc= 0.457 USER MOD Single : A 57 SER OG : rot 7:sc= 0.983 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -158:sc= -0.0697 (180deg=-0.274) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.287 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -2.86 K(o=-2.9,f=-10!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.34 F(o=-2.3,f=-0.34) USER MOD Single : A 109 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.76) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 112 HIS :FLIP no HE2:sc= -0.0684 F(o=-0.58,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.912 11.330 2.622 1.00 0.00 N ATOM 2 CA MET A 1 -19.028 12.235 3.411 1.00 0.00 C ATOM 3 C MET A 1 -18.112 11.399 4.306 1.00 0.00 C ATOM 4 O MET A 1 -18.241 11.397 5.515 1.00 0.00 O ATOM 5 CB MET A 1 -19.887 13.156 4.278 1.00 0.00 C ATOM 6 CG MET A 1 -19.769 14.593 3.767 1.00 0.00 C ATOM 7 SD MET A 1 -18.574 15.499 4.780 1.00 0.00 S ATOM 8 CE MET A 1 -19.716 15.983 6.099 1.00 0.00 C ATOM 0 H1 MET A 1 -20.535 11.898 2.013 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.329 10.703 2.032 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.489 10.757 3.270 1.00 0.00 H new ATOM 0 HA MET A 1 -18.423 12.836 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.928 12.833 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.564 13.101 5.317 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.452 14.594 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.741 15.085 3.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.180 16.564 6.849 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.521 16.586 5.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.135 15.090 6.563 1.00 0.00 H new ATOM 20 N GLU A 2 -17.185 10.687 3.724 1.00 0.00 N ATOM 21 CA GLU A 2 -16.262 9.852 4.542 1.00 0.00 C ATOM 22 C GLU A 2 -14.916 10.570 4.689 1.00 0.00 C ATOM 23 O GLU A 2 -14.623 11.487 3.948 1.00 0.00 O ATOM 24 CB GLU A 2 -16.049 8.503 3.852 1.00 0.00 C ATOM 25 CG GLU A 2 -17.390 7.971 3.345 1.00 0.00 C ATOM 26 CD GLU A 2 -17.192 6.576 2.749 1.00 0.00 C ATOM 27 OE1 GLU A 2 -16.508 6.474 1.744 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.728 5.634 3.308 1.00 0.00 O ATOM 0 H GLU A 2 -17.028 10.648 2.717 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.696 9.691 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.352 8.614 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.604 7.793 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.110 7.930 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.800 8.645 2.593 1.00 0.00 H new ATOM 35 N PRO A 3 -14.137 10.128 5.646 1.00 0.00 N ATOM 36 CA PRO A 3 -12.828 10.710 5.909 1.00 0.00 C ATOM 37 C PRO A 3 -11.998 10.759 4.623 1.00 0.00 C ATOM 38 O PRO A 3 -12.510 10.600 3.533 1.00 0.00 O ATOM 39 CB PRO A 3 -12.188 9.766 6.923 1.00 0.00 C ATOM 40 CG PRO A 3 -13.414 9.095 7.620 1.00 0.00 C ATOM 41 CD PRO A 3 -14.520 9.018 6.531 1.00 0.00 C ATOM 0 HA PRO A 3 -12.893 11.733 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.549 9.028 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.566 10.306 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.159 8.102 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.747 9.680 8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.518 8.060 6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.518 9.152 6.949 1.00 0.00 H new ATOM 49 N LYS A 4 -10.717 10.980 4.744 1.00 0.00 N ATOM 50 CA LYS A 4 -9.852 11.039 3.533 1.00 0.00 C ATOM 51 C LYS A 4 -8.761 9.971 3.635 1.00 0.00 C ATOM 52 O LYS A 4 -7.770 10.144 4.316 1.00 0.00 O ATOM 53 CB LYS A 4 -9.205 12.422 3.436 1.00 0.00 C ATOM 54 CG LYS A 4 -10.267 13.499 3.664 1.00 0.00 C ATOM 55 CD LYS A 4 -10.264 14.478 2.487 1.00 0.00 C ATOM 56 CE LYS A 4 -10.103 15.907 3.010 1.00 0.00 C ATOM 57 NZ LYS A 4 -10.354 16.873 1.903 1.00 0.00 N ATOM 0 H LYS A 4 -10.233 11.122 5.630 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.456 10.858 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.411 12.517 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.744 12.552 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.250 13.039 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.066 14.031 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.451 14.237 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.193 14.388 1.924 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.800 16.087 3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.099 16.048 3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.245 17.844 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.672 16.706 1.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.321 16.743 1.542 1.00 0.00 H new ATOM 71 N ARG A 5 -8.939 8.866 2.965 1.00 0.00 N ATOM 72 CA ARG A 5 -7.916 7.783 3.022 1.00 0.00 C ATOM 73 C ARG A 5 -7.962 7.111 4.396 1.00 0.00 C ATOM 74 O ARG A 5 -7.876 7.760 5.419 1.00 0.00 O ATOM 75 CB ARG A 5 -6.526 8.379 2.788 1.00 0.00 C ATOM 76 CG ARG A 5 -6.583 9.360 1.615 1.00 0.00 C ATOM 77 CD ARG A 5 -6.105 10.738 2.077 1.00 0.00 C ATOM 78 NE ARG A 5 -4.844 11.087 1.364 1.00 0.00 N ATOM 79 CZ ARG A 5 -4.639 12.312 0.960 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.429 13.260 1.832 1.00 0.00 N ATOM 81 NH2 ARG A 5 -4.645 12.586 -0.315 1.00 0.00 N ATOM 0 H ARG A 5 -9.750 8.666 2.380 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.126 7.043 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.182 8.890 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.809 7.585 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.958 9.002 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.601 9.426 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.870 11.488 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -5.938 10.735 3.154 1.00 0.00 H new ATOM 0 HE ARG A 5 -4.141 10.369 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.425 13.044 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.269 14.217 1.517 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.810 11.844 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.485 13.542 -0.632 1.00 0.00 H new ATOM 95 N ILE A 6 -8.100 5.813 4.426 1.00 0.00 N ATOM 96 CA ILE A 6 -8.156 5.096 5.731 1.00 0.00 C ATOM 97 C ILE A 6 -6.795 5.177 6.426 1.00 0.00 C ATOM 98 O ILE A 6 -6.710 5.344 7.627 1.00 0.00 O ATOM 99 CB ILE A 6 -8.519 3.629 5.490 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.978 3.533 5.035 1.00 0.00 C ATOM 101 CG2 ILE A 6 -8.336 2.838 6.787 1.00 0.00 C ATOM 102 CD1 ILE A 6 -10.028 3.110 3.566 1.00 0.00 C ATOM 0 H ILE A 6 -8.176 5.218 3.601 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.911 5.561 6.365 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.869 3.216 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -10.515 2.812 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.474 4.495 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.595 1.793 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.298 2.906 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.985 3.250 7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.067 3.042 3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.506 3.848 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.547 2.139 3.451 1.00 0.00 H new ATOM 114 N ARG A 7 -5.726 5.055 5.686 1.00 0.00 N ATOM 115 CA ARG A 7 -4.376 5.120 6.312 1.00 0.00 C ATOM 116 C ARG A 7 -3.483 6.078 5.523 1.00 0.00 C ATOM 117 O ARG A 7 -3.821 6.511 4.440 1.00 0.00 O ATOM 118 CB ARG A 7 -3.750 3.727 6.320 1.00 0.00 C ATOM 119 CG ARG A 7 -3.762 3.179 7.746 1.00 0.00 C ATOM 120 CD ARG A 7 -2.449 3.538 8.438 1.00 0.00 C ATOM 121 NE ARG A 7 -2.655 4.729 9.309 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.854 4.949 10.315 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.560 3.979 11.138 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.349 6.137 10.499 1.00 0.00 N ATOM 0 H ARG A 7 -5.730 4.913 4.676 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.472 5.482 7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.304 3.062 5.658 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.728 3.772 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.604 3.595 8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.894 2.097 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.097 2.695 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.679 3.747 7.695 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.423 5.373 9.119 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.956 3.050 10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.934 4.150 11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.580 6.895 9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.723 6.309 11.286 1.00 0.00 H new ATOM 138 N GLU A 8 -2.340 6.406 6.059 1.00 0.00 N ATOM 139 CA GLU A 8 -1.414 7.326 5.344 1.00 0.00 C ATOM 140 C GLU A 8 -0.215 7.641 6.233 1.00 0.00 C ATOM 141 O GLU A 8 -0.353 8.003 7.384 1.00 0.00 O ATOM 142 CB GLU A 8 -2.131 8.626 4.982 1.00 0.00 C ATOM 143 CG GLU A 8 -2.889 9.158 6.198 1.00 0.00 C ATOM 144 CD GLU A 8 -4.376 9.286 5.860 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.703 10.104 5.015 1.00 0.00 O ATOM 146 OE2 GLU A 8 -5.163 8.565 6.451 1.00 0.00 O ATOM 0 H GLU A 8 -2.007 6.075 6.965 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.076 6.840 4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.408 9.367 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.823 8.452 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.755 8.486 7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.488 10.128 6.494 1.00 0.00 H new ATOM 153 N GLY A 9 0.961 7.507 5.697 1.00 0.00 N ATOM 154 CA GLY A 9 2.188 7.796 6.481 1.00 0.00 C ATOM 155 C GLY A 9 3.357 7.920 5.509 1.00 0.00 C ATOM 156 O GLY A 9 3.198 8.363 4.391 1.00 0.00 O ATOM 0 H GLY A 9 1.126 7.206 4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.067 8.718 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.375 6.999 7.201 1.00 0.00 H new ATOM 160 N TYR A 10 4.527 7.531 5.913 1.00 0.00 N ATOM 161 CA TYR A 10 5.691 7.643 4.989 1.00 0.00 C ATOM 162 C TYR A 10 6.586 6.404 5.085 1.00 0.00 C ATOM 163 O TYR A 10 7.361 6.256 6.009 1.00 0.00 O ATOM 164 CB TYR A 10 6.510 8.883 5.353 1.00 0.00 C ATOM 165 CG TYR A 10 6.762 8.907 6.841 1.00 0.00 C ATOM 166 CD1 TYR A 10 5.741 9.297 7.717 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.015 8.538 7.345 1.00 0.00 C ATOM 168 CE1 TYR A 10 5.975 9.319 9.099 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.250 8.561 8.726 1.00 0.00 C ATOM 170 CZ TYR A 10 7.229 8.951 9.603 1.00 0.00 C ATOM 171 OH TYR A 10 7.460 8.974 10.963 1.00 0.00 O ATOM 0 H TYR A 10 4.732 7.143 6.834 1.00 0.00 H new ATOM 0 HA TYR A 10 5.316 7.725 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.457 8.876 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.977 9.784 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.774 9.581 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.801 8.235 6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.188 9.620 9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.217 8.278 9.114 1.00 0.00 H new ATOM 0 HH TYR A 10 8.380 8.689 11.143 1.00 0.00 H new ATOM 181 N LEU A 11 6.510 5.528 4.118 1.00 0.00 N ATOM 182 CA LEU A 11 7.385 4.319 4.135 1.00 0.00 C ATOM 183 C LEU A 11 8.245 4.323 2.870 1.00 0.00 C ATOM 184 O LEU A 11 7.908 4.951 1.886 1.00 0.00 O ATOM 185 CB LEU A 11 6.548 3.033 4.163 1.00 0.00 C ATOM 186 CG LEU A 11 5.322 3.198 5.069 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.695 3.984 6.328 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.230 3.937 4.299 1.00 0.00 C ATOM 0 H LEU A 11 5.881 5.597 3.318 1.00 0.00 H new ATOM 0 HA LEU A 11 8.006 4.347 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.227 2.781 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.160 2.204 4.519 1.00 0.00 H new ATOM 0 HG LEU A 11 4.960 2.215 5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.815 4.094 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.472 3.449 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.064 4.970 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.354 4.059 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.598 4.918 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.957 3.363 3.413 1.00 0.00 H new ATOM 200 N VAL A 12 9.352 3.632 2.879 1.00 0.00 N ATOM 201 CA VAL A 12 10.217 3.612 1.666 1.00 0.00 C ATOM 202 C VAL A 12 9.740 2.508 0.724 1.00 0.00 C ATOM 203 O VAL A 12 9.549 1.377 1.123 1.00 0.00 O ATOM 204 CB VAL A 12 11.670 3.360 2.071 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.730 2.208 3.073 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.491 3.000 0.831 1.00 0.00 C ATOM 0 H VAL A 12 9.693 3.084 3.669 1.00 0.00 H new ATOM 0 HA VAL A 12 10.154 4.574 1.157 1.00 0.00 H new ATOM 0 HB VAL A 12 12.079 4.261 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.766 2.030 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.147 2.464 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.320 1.307 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.527 2.820 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.081 2.100 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.451 3.822 0.117 1.00 0.00 H new ATOM 216 N LYS A 13 9.543 2.830 -0.524 1.00 0.00 N ATOM 217 CA LYS A 13 9.073 1.799 -1.492 1.00 0.00 C ATOM 218 C LYS A 13 10.136 1.591 -2.571 1.00 0.00 C ATOM 219 O LYS A 13 11.094 2.333 -2.665 1.00 0.00 O ATOM 220 CB LYS A 13 7.768 2.268 -2.141 1.00 0.00 C ATOM 221 CG LYS A 13 6.805 1.085 -2.267 1.00 0.00 C ATOM 222 CD LYS A 13 5.550 1.351 -1.431 1.00 0.00 C ATOM 223 CE LYS A 13 4.471 0.324 -1.783 1.00 0.00 C ATOM 224 NZ LYS A 13 3.377 0.997 -2.539 1.00 0.00 N ATOM 0 H LYS A 13 9.687 3.761 -0.915 1.00 0.00 H new ATOM 0 HA LYS A 13 8.900 0.859 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.315 3.057 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.971 2.692 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.533 0.935 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.292 0.170 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.789 1.293 -0.369 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.182 2.359 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.900 -0.480 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.075 -0.130 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.519 1.031 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.668 1.965 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.179 0.465 -3.410 1.00 0.00 H new ATOM 238 N LYS A 14 9.975 0.585 -3.386 1.00 0.00 N ATOM 239 CA LYS A 14 10.978 0.327 -4.458 1.00 0.00 C ATOM 240 C LYS A 14 10.315 0.497 -5.828 1.00 0.00 C ATOM 241 O LYS A 14 9.225 0.015 -6.063 1.00 0.00 O ATOM 242 CB LYS A 14 11.509 -1.101 -4.325 1.00 0.00 C ATOM 243 CG LYS A 14 12.683 -1.300 -5.286 1.00 0.00 C ATOM 244 CD LYS A 14 12.503 -2.615 -6.046 1.00 0.00 C ATOM 245 CE LYS A 14 13.627 -3.581 -5.668 1.00 0.00 C ATOM 246 NZ LYS A 14 13.139 -4.529 -4.625 1.00 0.00 N ATOM 0 H LYS A 14 9.193 -0.069 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 14 11.803 1.033 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.829 -1.288 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.718 -1.817 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.738 -0.467 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.622 -1.313 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.535 -3.056 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.513 -2.431 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.959 -4.132 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.488 -3.026 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.948 -4.896 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.489 -4.033 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.639 -5.319 -5.081 1.00 0.00 H new ATOM 260 N GLY A 15 10.965 1.177 -6.732 1.00 0.00 N ATOM 261 CA GLY A 15 10.371 1.373 -8.085 1.00 0.00 C ATOM 262 C GLY A 15 10.257 2.870 -8.382 1.00 0.00 C ATOM 263 O GLY A 15 9.203 3.363 -8.734 1.00 0.00 O ATOM 0 H GLY A 15 11.880 1.605 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.991 0.888 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.387 0.906 -8.133 1.00 0.00 H new ATOM 267 N SER A 16 11.332 3.597 -8.246 1.00 0.00 N ATOM 268 CA SER A 16 11.281 5.060 -8.522 1.00 0.00 C ATOM 269 C SER A 16 12.352 5.426 -9.553 1.00 0.00 C ATOM 270 O SER A 16 12.165 6.306 -10.368 1.00 0.00 O ATOM 271 CB SER A 16 11.533 5.830 -7.226 1.00 0.00 C ATOM 272 OG SER A 16 12.138 7.080 -7.532 1.00 0.00 O ATOM 0 H SER A 16 12.243 3.241 -7.956 1.00 0.00 H new ATOM 0 HA SER A 16 10.299 5.322 -8.915 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.594 5.988 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.180 5.252 -6.566 1.00 0.00 H new ATOM 0 HG SER A 16 12.300 7.577 -6.703 1.00 0.00 H new ATOM 278 N VAL A 17 13.472 4.757 -9.523 1.00 0.00 N ATOM 279 CA VAL A 17 14.549 5.070 -10.504 1.00 0.00 C ATOM 280 C VAL A 17 15.068 3.771 -11.126 1.00 0.00 C ATOM 281 O VAL A 17 14.635 3.365 -12.186 1.00 0.00 O ATOM 282 CB VAL A 17 15.697 5.795 -9.794 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.446 7.303 -9.826 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.781 5.325 -8.340 1.00 0.00 C ATOM 0 H VAL A 17 13.687 4.009 -8.864 1.00 0.00 H new ATOM 0 HA VAL A 17 14.148 5.712 -11.289 1.00 0.00 H new ATOM 0 HB VAL A 17 16.634 5.570 -10.303 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.263 7.819 -9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.389 7.640 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.507 7.526 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.598 5.842 -7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.843 5.547 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.962 4.250 -8.315 1.00 0.00 H new ATOM 294 N PHE A 18 15.991 3.115 -10.477 1.00 0.00 N ATOM 295 CA PHE A 18 16.532 1.844 -11.036 1.00 0.00 C ATOM 296 C PHE A 18 16.569 0.781 -9.937 1.00 0.00 C ATOM 297 O PHE A 18 17.620 0.408 -9.454 1.00 0.00 O ATOM 298 CB PHE A 18 17.948 2.082 -11.565 1.00 0.00 C ATOM 299 CG PHE A 18 17.884 2.403 -13.039 1.00 0.00 C ATOM 300 CD1 PHE A 18 17.342 1.471 -13.935 1.00 0.00 C ATOM 301 CD2 PHE A 18 18.365 3.631 -13.510 1.00 0.00 C ATOM 302 CE1 PHE A 18 17.281 1.769 -15.302 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.304 3.929 -14.878 1.00 0.00 C ATOM 304 CZ PHE A 18 17.762 2.997 -15.774 1.00 0.00 C ATOM 0 H PHE A 18 16.393 3.404 -9.585 1.00 0.00 H new ATOM 0 HA PHE A 18 15.893 1.503 -11.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.418 2.903 -11.023 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.563 1.197 -11.400 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.972 0.524 -13.571 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.783 4.348 -12.819 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.863 1.052 -15.993 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.674 4.876 -15.242 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.715 3.226 -16.828 1.00 0.00 H new ATOM 314 N ASN A 19 15.428 0.286 -9.539 1.00 0.00 N ATOM 315 CA ASN A 19 15.398 -0.753 -8.473 1.00 0.00 C ATOM 316 C ASN A 19 16.141 -0.239 -7.239 1.00 0.00 C ATOM 317 O ASN A 19 17.124 -0.811 -6.810 1.00 0.00 O ATOM 318 CB ASN A 19 16.075 -2.027 -8.983 1.00 0.00 C ATOM 319 CG ASN A 19 15.019 -2.970 -9.561 1.00 0.00 C ATOM 320 OD1 ASN A 19 15.157 -4.174 -9.488 1.00 0.00 O ATOM 321 ND2 ASN A 19 13.960 -2.468 -10.135 1.00 0.00 N ATOM 0 H ASN A 19 14.516 0.557 -9.907 1.00 0.00 H new ATOM 0 HA ASN A 19 14.364 -0.973 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 19 16.813 -1.779 -9.746 1.00 0.00 H new ATOM 0 HB3 ASN A 19 16.610 -2.518 -8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.248 -3.087 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.844 -1.456 -10.196 1.00 0.00 H new ATOM 328 N THR A 20 15.682 0.839 -6.665 1.00 0.00 N ATOM 329 CA THR A 20 16.364 1.391 -5.461 1.00 0.00 C ATOM 330 C THR A 20 15.421 1.318 -4.258 1.00 0.00 C ATOM 331 O THR A 20 14.420 0.631 -4.283 1.00 0.00 O ATOM 332 CB THR A 20 16.752 2.848 -5.716 1.00 0.00 C ATOM 333 OG1 THR A 20 15.595 3.587 -6.088 1.00 0.00 O ATOM 334 CG2 THR A 20 17.785 2.913 -6.843 1.00 0.00 C ATOM 0 H THR A 20 14.864 1.361 -6.978 1.00 0.00 H new ATOM 0 HA THR A 20 17.261 0.807 -5.255 1.00 0.00 H new ATOM 0 HB THR A 20 17.180 3.274 -4.809 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.693 4.517 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.061 3.952 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.671 2.347 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.360 2.487 -7.752 1.00 0.00 H new ATOM 342 N TRP A 21 15.735 2.020 -3.204 1.00 0.00 N ATOM 343 CA TRP A 21 14.859 1.989 -2.000 1.00 0.00 C ATOM 344 C TRP A 21 14.940 3.330 -1.270 1.00 0.00 C ATOM 345 O TRP A 21 15.942 3.657 -0.664 1.00 0.00 O ATOM 346 CB TRP A 21 15.324 0.869 -1.067 1.00 0.00 C ATOM 347 CG TRP A 21 14.459 -0.333 -1.266 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.487 -1.142 -2.351 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.439 -0.875 -0.378 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.545 -2.141 -2.188 1.00 0.00 N ATOM 351 CE2 TRP A 21 12.874 -2.020 -0.988 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.953 -0.485 0.884 1.00 0.00 C ATOM 353 CZ2 TRP A 21 11.862 -2.751 -0.366 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.935 -1.219 1.512 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.389 -2.349 0.888 1.00 0.00 C ATOM 0 H TRP A 21 16.561 2.614 -3.125 1.00 0.00 H new ATOM 0 HA TRP A 21 13.828 1.808 -2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.365 0.619 -1.271 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.273 1.200 -0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.139 -1.026 -3.204 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.368 -2.877 -2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 21 13.366 0.385 1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.446 -3.622 -0.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.570 -0.912 2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.604 -2.909 1.375 1.00 0.00 H new ATOM 366 N LYS A 22 13.894 4.112 -1.319 1.00 0.00 N ATOM 367 CA LYS A 22 13.919 5.430 -0.624 1.00 0.00 C ATOM 368 C LYS A 22 12.557 5.694 0.034 1.00 0.00 C ATOM 369 O LYS A 22 11.528 5.348 -0.516 1.00 0.00 O ATOM 370 CB LYS A 22 14.213 6.539 -1.637 1.00 0.00 C ATOM 371 CG LYS A 22 15.157 6.007 -2.716 1.00 0.00 C ATOM 372 CD LYS A 22 15.881 7.178 -3.384 1.00 0.00 C ATOM 373 CE LYS A 22 17.320 6.771 -3.708 1.00 0.00 C ATOM 374 NZ LYS A 22 18.231 7.267 -2.639 1.00 0.00 N ATOM 0 H LYS A 22 13.026 3.895 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 22 14.696 5.417 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.285 6.887 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.663 7.395 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.881 5.322 -2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.595 5.442 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.360 7.469 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.877 8.046 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.393 5.686 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.617 7.182 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.209 6.990 -2.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.169 8.304 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.952 6.854 -1.726 1.00 0.00 H new ATOM 388 N PRO A 23 12.592 6.307 1.195 1.00 0.00 N ATOM 389 CA PRO A 23 11.379 6.628 1.935 1.00 0.00 C ATOM 390 C PRO A 23 10.386 7.365 1.029 1.00 0.00 C ATOM 391 O PRO A 23 10.764 7.979 0.051 1.00 0.00 O ATOM 392 CB PRO A 23 11.850 7.537 3.065 1.00 0.00 C ATOM 393 CG PRO A 23 13.348 7.142 3.253 1.00 0.00 C ATOM 394 CD PRO A 23 13.848 6.716 1.845 1.00 0.00 C ATOM 0 HA PRO A 23 10.867 5.740 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.743 8.590 2.804 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.275 7.374 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.929 7.980 3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.451 6.327 3.969 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.334 7.537 1.317 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.568 5.899 1.896 1.00 0.00 H new ATOM 402 N MET A 24 9.121 7.313 1.348 1.00 0.00 N ATOM 403 CA MET A 24 8.112 8.012 0.507 1.00 0.00 C ATOM 404 C MET A 24 6.826 8.209 1.309 1.00 0.00 C ATOM 405 O MET A 24 6.702 7.739 2.421 1.00 0.00 O ATOM 406 CB MET A 24 7.820 7.174 -0.750 1.00 0.00 C ATOM 407 CG MET A 24 6.735 6.118 -0.479 1.00 0.00 C ATOM 408 SD MET A 24 5.241 6.543 -1.405 1.00 0.00 S ATOM 409 CE MET A 24 5.522 5.427 -2.800 1.00 0.00 C ATOM 0 H MET A 24 8.744 6.816 2.155 1.00 0.00 H new ATOM 0 HA MET A 24 8.500 8.985 0.207 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.498 7.829 -1.560 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.734 6.682 -1.082 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.091 5.131 -0.774 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.515 6.072 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.446 5.985 -3.733 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.516 4.988 -2.720 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.773 4.635 -2.789 1.00 0.00 H new ATOM 419 N TRP A 25 5.859 8.868 0.739 1.00 0.00 N ATOM 420 CA TRP A 25 4.573 9.056 1.455 1.00 0.00 C ATOM 421 C TRP A 25 3.524 8.208 0.761 1.00 0.00 C ATOM 422 O TRP A 25 3.569 8.010 -0.434 1.00 0.00 O ATOM 423 CB TRP A 25 4.154 10.527 1.423 1.00 0.00 C ATOM 424 CG TRP A 25 2.840 10.686 2.123 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.632 10.720 1.516 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.584 10.829 3.551 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.649 10.876 2.481 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.188 10.949 3.750 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.423 10.866 4.678 1.00 0.00 C ATOM 430 CZ2 TRP A 25 0.644 11.102 5.029 1.00 0.00 C ATOM 431 CZ3 TRP A 25 2.881 11.018 5.965 1.00 0.00 C ATOM 432 CH2 TRP A 25 1.494 11.136 6.140 1.00 0.00 C ATOM 0 H TRP A 25 5.905 9.284 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 25 4.680 8.757 2.498 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.913 11.143 1.906 1.00 0.00 H new ATOM 0 HB3 TRP A 25 4.073 10.871 0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.461 10.639 0.453 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.349 10.930 2.279 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.492 10.777 4.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -0.424 11.193 5.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.535 11.044 6.824 1.00 0.00 H new ATOM 0 HH2 TRP A 25 1.083 11.253 7.132 1.00 0.00 H new ATOM 443 N VAL A 26 2.597 7.682 1.496 1.00 0.00 N ATOM 444 CA VAL A 26 1.572 6.823 0.854 1.00 0.00 C ATOM 445 C VAL A 26 0.254 6.911 1.632 1.00 0.00 C ATOM 446 O VAL A 26 0.243 7.078 2.834 1.00 0.00 O ATOM 447 CB VAL A 26 2.101 5.388 0.828 1.00 0.00 C ATOM 448 CG1 VAL A 26 2.893 5.115 2.105 1.00 0.00 C ATOM 449 CG2 VAL A 26 0.943 4.390 0.713 1.00 0.00 C ATOM 0 H VAL A 26 2.502 7.806 2.504 1.00 0.00 H new ATOM 0 HA VAL A 26 1.377 7.156 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 26 2.750 5.267 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.270 4.093 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.730 5.810 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.244 5.247 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.338 3.374 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.277 4.506 1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.389 4.579 -0.207 1.00 0.00 H new ATOM 459 N VAL A 27 -0.861 6.807 0.952 1.00 0.00 N ATOM 460 CA VAL A 27 -2.172 6.893 1.657 1.00 0.00 C ATOM 461 C VAL A 27 -3.075 5.732 1.236 1.00 0.00 C ATOM 462 O VAL A 27 -3.419 5.581 0.077 1.00 0.00 O ATOM 463 CB VAL A 27 -2.862 8.211 1.305 1.00 0.00 C ATOM 464 CG1 VAL A 27 -2.181 9.361 2.050 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.761 8.447 -0.201 1.00 0.00 C ATOM 0 H VAL A 27 -0.918 6.667 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.994 6.843 2.731 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.911 8.163 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.674 10.300 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.251 9.191 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.132 9.412 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.252 9.386 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.712 8.495 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.247 7.628 -0.731 1.00 0.00 H new ATOM 475 N LEU A 28 -3.463 4.915 2.175 1.00 0.00 N ATOM 476 CA LEU A 28 -4.350 3.760 1.852 1.00 0.00 C ATOM 477 C LEU A 28 -5.803 4.231 1.761 1.00 0.00 C ATOM 478 O LEU A 28 -6.340 4.804 2.688 1.00 0.00 O ATOM 479 CB LEU A 28 -4.237 2.702 2.955 1.00 0.00 C ATOM 480 CG LEU A 28 -2.829 2.720 3.537 1.00 0.00 C ATOM 481 CD1 LEU A 28 -2.623 1.496 4.432 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.825 2.684 2.385 1.00 0.00 C ATOM 0 H LEU A 28 -3.203 4.997 3.158 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.044 3.333 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.968 2.900 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.462 1.715 2.551 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.686 3.622 4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.615 1.513 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.349 1.513 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.758 0.588 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.811 2.696 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.974 1.776 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.973 3.554 1.746 1.00 0.00 H new ATOM 494 N LEU A 29 -6.449 3.979 0.656 1.00 0.00 N ATOM 495 CA LEU A 29 -7.872 4.394 0.513 1.00 0.00 C ATOM 496 C LEU A 29 -8.729 3.153 0.266 1.00 0.00 C ATOM 497 O LEU A 29 -8.236 2.115 -0.132 1.00 0.00 O ATOM 498 CB LEU A 29 -8.014 5.375 -0.654 1.00 0.00 C ATOM 499 CG LEU A 29 -6.981 6.496 -0.509 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.810 6.238 -1.457 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.632 7.836 -0.858 1.00 0.00 C ATOM 0 H LEU A 29 -6.052 3.503 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.205 4.890 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.870 4.854 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.020 5.794 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.617 6.523 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.075 7.036 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.346 5.283 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.173 6.210 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.898 8.635 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.996 7.807 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.467 8.022 -0.183 1.00 0.00 H new ATOM 513 N GLU A 30 -10.006 3.243 0.509 1.00 0.00 N ATOM 514 CA GLU A 30 -10.890 2.064 0.301 1.00 0.00 C ATOM 515 C GLU A 30 -11.081 1.822 -1.192 1.00 0.00 C ATOM 516 O GLU A 30 -11.404 0.733 -1.614 1.00 0.00 O ATOM 517 CB GLU A 30 -12.250 2.320 0.957 1.00 0.00 C ATOM 518 CG GLU A 30 -12.835 3.633 0.428 1.00 0.00 C ATOM 519 CD GLU A 30 -14.300 3.747 0.853 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.974 2.730 0.870 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.725 4.852 1.151 1.00 0.00 O ATOM 0 H GLU A 30 -10.476 4.084 0.843 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.430 1.185 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.929 1.495 0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.139 2.369 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.266 4.479 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.757 3.667 -0.659 1.00 0.00 H new ATOM 528 N ASP A 31 -10.880 2.823 -1.998 1.00 0.00 N ATOM 529 CA ASP A 31 -11.050 2.630 -3.465 1.00 0.00 C ATOM 530 C ASP A 31 -9.686 2.346 -4.094 1.00 0.00 C ATOM 531 O ASP A 31 -9.525 2.387 -5.298 1.00 0.00 O ATOM 532 CB ASP A 31 -11.648 3.895 -4.084 1.00 0.00 C ATOM 533 CG ASP A 31 -10.679 5.063 -3.896 1.00 0.00 C ATOM 534 OD1 ASP A 31 -9.545 4.941 -4.328 1.00 0.00 O ATOM 535 OD2 ASP A 31 -11.086 6.060 -3.322 1.00 0.00 O ATOM 0 H ASP A 31 -10.607 3.762 -1.709 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.721 1.791 -3.649 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.842 3.737 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.605 4.124 -3.616 1.00 0.00 H new ATOM 540 N GLY A 32 -8.702 2.060 -3.286 1.00 0.00 N ATOM 541 CA GLY A 32 -7.346 1.772 -3.833 1.00 0.00 C ATOM 542 C GLY A 32 -6.294 2.477 -2.976 1.00 0.00 C ATOM 543 O GLY A 32 -6.610 3.291 -2.135 1.00 0.00 O ATOM 0 H GLY A 32 -8.779 2.013 -2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.165 0.697 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.278 2.113 -4.866 1.00 0.00 H new ATOM 547 N ILE A 33 -5.044 2.173 -3.183 1.00 0.00 N ATOM 548 CA ILE A 33 -3.980 2.833 -2.378 1.00 0.00 C ATOM 549 C ILE A 33 -3.158 3.752 -3.281 1.00 0.00 C ATOM 550 O ILE A 33 -2.445 3.302 -4.155 1.00 0.00 O ATOM 551 CB ILE A 33 -3.069 1.769 -1.763 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.824 1.036 -0.653 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.824 2.437 -1.176 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.636 -0.110 -1.257 1.00 0.00 C ATOM 0 H ILE A 33 -4.714 1.498 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.437 3.420 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.769 1.058 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.121 0.648 0.084 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.485 1.728 -0.130 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.176 1.678 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.286 2.962 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.122 3.148 -0.405 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.174 -0.632 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.349 0.290 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.965 -0.806 -1.759 1.00 0.00 H new ATOM 566 N GLU A 34 -3.245 5.038 -3.075 1.00 0.00 N ATOM 567 CA GLU A 34 -2.461 5.979 -3.923 1.00 0.00 C ATOM 568 C GLU A 34 -1.324 6.558 -3.086 1.00 0.00 C ATOM 569 O GLU A 34 -1.548 7.216 -2.092 1.00 0.00 O ATOM 570 CB GLU A 34 -3.366 7.110 -4.419 1.00 0.00 C ATOM 571 CG GLU A 34 -3.737 8.022 -3.249 1.00 0.00 C ATOM 572 CD GLU A 34 -4.974 8.845 -3.614 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.397 8.768 -4.756 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.477 9.538 -2.746 1.00 0.00 O ATOM 0 H GLU A 34 -3.823 5.476 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.056 5.450 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.856 7.684 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.268 6.696 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.934 7.426 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.904 8.684 -3.012 1.00 0.00 H new ATOM 581 N PHE A 35 -0.104 6.303 -3.464 1.00 0.00 N ATOM 582 CA PHE A 35 1.032 6.831 -2.662 1.00 0.00 C ATOM 583 C PHE A 35 1.843 7.832 -3.481 1.00 0.00 C ATOM 584 O PHE A 35 1.954 7.723 -4.683 1.00 0.00 O ATOM 585 CB PHE A 35 1.935 5.669 -2.244 1.00 0.00 C ATOM 586 CG PHE A 35 2.361 4.898 -3.472 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.229 5.486 -4.401 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.883 3.598 -3.685 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.621 4.775 -5.543 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.276 2.888 -4.828 1.00 0.00 C ATOM 591 CZ PHE A 35 3.146 3.478 -5.757 1.00 0.00 C ATOM 0 H PHE A 35 0.154 5.757 -4.286 1.00 0.00 H new ATOM 0 HA PHE A 35 0.639 7.336 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.811 6.046 -1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.405 5.012 -1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.596 6.488 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.213 3.144 -2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.291 5.229 -6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.909 1.886 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.449 2.930 -6.637 1.00 0.00 H new ATOM 601 N TYR A 36 2.423 8.801 -2.825 1.00 0.00 N ATOM 602 CA TYR A 36 3.251 9.813 -3.538 1.00 0.00 C ATOM 603 C TYR A 36 4.584 9.948 -2.801 1.00 0.00 C ATOM 604 O TYR A 36 4.987 9.070 -2.065 1.00 0.00 O ATOM 605 CB TYR A 36 2.539 11.172 -3.534 1.00 0.00 C ATOM 606 CG TYR A 36 1.050 10.983 -3.704 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.295 10.384 -2.686 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.421 11.417 -4.878 1.00 0.00 C ATOM 609 CE1 TYR A 36 -1.087 10.219 -2.843 1.00 0.00 C ATOM 610 CE2 TYR A 36 -0.961 11.251 -5.036 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.714 10.652 -4.018 1.00 0.00 C ATOM 612 OH TYR A 36 -3.076 10.490 -4.174 1.00 0.00 O ATOM 0 H TYR A 36 2.357 8.935 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 36 3.410 9.498 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.742 11.694 -2.599 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.928 11.796 -4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.779 10.050 -1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.002 11.880 -5.662 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.669 9.758 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.445 11.585 -5.942 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.350 10.845 -5.045 1.00 0.00 H new ATOM 622 N LYS A 37 5.263 11.046 -2.975 1.00 0.00 N ATOM 623 CA LYS A 37 6.558 11.236 -2.263 1.00 0.00 C ATOM 624 C LYS A 37 6.282 11.958 -0.943 1.00 0.00 C ATOM 625 O LYS A 37 6.921 11.715 0.061 1.00 0.00 O ATOM 626 CB LYS A 37 7.502 12.077 -3.123 1.00 0.00 C ATOM 627 CG LYS A 37 8.714 11.236 -3.523 1.00 0.00 C ATOM 628 CD LYS A 37 9.946 11.722 -2.758 1.00 0.00 C ATOM 629 CE LYS A 37 10.907 12.415 -3.725 1.00 0.00 C ATOM 630 NZ LYS A 37 11.967 13.121 -2.952 1.00 0.00 N ATOM 0 H LYS A 37 4.979 11.819 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 37 7.025 10.270 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.982 12.431 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.825 12.960 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.528 10.184 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.885 11.313 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.648 12.412 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.443 10.880 -2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.357 11.682 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.363 13.125 -4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.621 13.592 -3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.529 13.831 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.492 12.433 -2.375 1.00 0.00 H new ATOM 644 N LYS A 38 5.317 12.836 -0.942 1.00 0.00 N ATOM 645 CA LYS A 38 4.965 13.573 0.301 1.00 0.00 C ATOM 646 C LYS A 38 3.482 13.340 0.596 1.00 0.00 C ATOM 647 O LYS A 38 2.851 12.501 -0.015 1.00 0.00 O ATOM 648 CB LYS A 38 5.221 15.069 0.103 1.00 0.00 C ATOM 649 CG LYS A 38 6.723 15.346 0.194 1.00 0.00 C ATOM 650 CD LYS A 38 7.290 15.551 -1.211 1.00 0.00 C ATOM 651 CE LYS A 38 7.273 17.040 -1.558 1.00 0.00 C ATOM 652 NZ LYS A 38 6.568 17.241 -2.856 1.00 0.00 N ATOM 0 H LYS A 38 4.753 13.075 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 38 5.574 13.218 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.840 15.389 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.688 15.643 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.904 16.231 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.228 14.513 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.309 15.167 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.701 14.991 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.773 17.602 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.292 17.421 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.262 17.473 -3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.064 16.369 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.886 18.021 -2.764 1.00 0.00 H new ATOM 666 N LYS A 39 2.913 14.067 1.517 1.00 0.00 N ATOM 667 CA LYS A 39 1.470 13.859 1.818 1.00 0.00 C ATOM 668 C LYS A 39 0.691 13.790 0.502 1.00 0.00 C ATOM 669 O LYS A 39 -0.361 13.190 0.421 1.00 0.00 O ATOM 670 CB LYS A 39 0.941 15.008 2.677 1.00 0.00 C ATOM 671 CG LYS A 39 -0.574 14.873 2.836 1.00 0.00 C ATOM 672 CD LYS A 39 -0.895 13.874 3.942 1.00 0.00 C ATOM 673 CE LYS A 39 -0.006 14.146 5.151 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.546 13.435 6.346 1.00 0.00 N ATOM 0 H LYS A 39 3.378 14.788 2.068 1.00 0.00 H new ATOM 0 HA LYS A 39 1.344 12.927 2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.422 14.996 3.655 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.185 15.964 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.011 15.843 3.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.019 14.544 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.945 13.954 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.738 12.857 3.584 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.012 13.813 4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.042 15.218 5.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.263 13.942 7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.584 13.400 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.168 12.466 6.374 1.00 0.00 H new ATOM 688 N SER A 40 1.209 14.394 -0.533 1.00 0.00 N ATOM 689 CA SER A 40 0.508 14.359 -1.848 1.00 0.00 C ATOM 690 C SER A 40 1.526 14.561 -2.970 1.00 0.00 C ATOM 691 O SER A 40 1.552 13.827 -3.938 1.00 0.00 O ATOM 692 CB SER A 40 -0.535 15.476 -1.904 1.00 0.00 C ATOM 693 OG SER A 40 -1.040 15.714 -0.597 1.00 0.00 O ATOM 0 H SER A 40 2.088 14.911 -0.524 1.00 0.00 H new ATOM 0 HA SER A 40 0.014 13.395 -1.969 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.089 16.386 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.348 15.197 -2.575 1.00 0.00 H new ATOM 0 HG SER A 40 -1.708 16.431 -0.630 1.00 0.00 H new ATOM 699 N ASP A 41 2.364 15.557 -2.851 1.00 0.00 N ATOM 700 CA ASP A 41 3.379 15.813 -3.909 1.00 0.00 C ATOM 701 C ASP A 41 2.671 16.109 -5.232 1.00 0.00 C ATOM 702 O ASP A 41 3.281 16.154 -6.283 1.00 0.00 O ATOM 703 CB ASP A 41 4.264 14.573 -4.044 1.00 0.00 C ATOM 704 CG ASP A 41 5.079 14.644 -5.336 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.654 15.688 -5.594 1.00 0.00 O ATOM 706 OD2 ASP A 41 5.113 13.652 -6.047 1.00 0.00 O ATOM 0 H ASP A 41 2.387 16.205 -2.063 1.00 0.00 H new ATOM 0 HA ASP A 41 3.995 16.672 -3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.933 14.500 -3.187 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.647 13.675 -4.044 1.00 0.00 H new ATOM 711 N ASN A 42 1.382 16.314 -5.193 1.00 0.00 N ATOM 712 CA ASN A 42 0.635 16.602 -6.446 1.00 0.00 C ATOM 713 C ASN A 42 1.110 15.652 -7.550 1.00 0.00 C ATOM 714 O ASN A 42 0.982 15.938 -8.723 1.00 0.00 O ATOM 715 CB ASN A 42 0.890 18.049 -6.869 1.00 0.00 C ATOM 716 CG ASN A 42 -0.231 18.512 -7.800 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.390 18.245 -7.553 1.00 0.00 O ATOM 718 ND2 ASN A 42 0.066 19.202 -8.867 1.00 0.00 N ATOM 0 H ASN A 42 0.815 16.294 -4.345 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.432 16.458 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.937 18.693 -5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.853 18.127 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.675 19.517 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.039 19.426 -9.075 1.00 0.00 H new ATOM 725 N SER A 43 1.663 14.525 -7.185 1.00 0.00 N ATOM 726 CA SER A 43 2.146 13.566 -8.219 1.00 0.00 C ATOM 727 C SER A 43 2.385 12.192 -7.578 1.00 0.00 C ATOM 728 O SER A 43 3.405 11.975 -6.953 1.00 0.00 O ATOM 729 CB SER A 43 3.457 14.082 -8.813 1.00 0.00 C ATOM 730 OG SER A 43 3.602 13.581 -10.135 1.00 0.00 O ATOM 0 H SER A 43 1.800 14.229 -6.219 1.00 0.00 H new ATOM 0 HA SER A 43 1.397 13.473 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.462 15.172 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.299 13.765 -8.197 1.00 0.00 H new ATOM 0 HG SER A 43 4.441 13.911 -10.520 1.00 0.00 H new ATOM 736 N PRO A 44 1.438 11.302 -7.752 1.00 0.00 N ATOM 737 CA PRO A 44 1.534 9.957 -7.200 1.00 0.00 C ATOM 738 C PRO A 44 2.584 9.136 -7.954 1.00 0.00 C ATOM 739 O PRO A 44 2.747 9.264 -9.150 1.00 0.00 O ATOM 740 CB PRO A 44 0.143 9.362 -7.402 1.00 0.00 C ATOM 741 CG PRO A 44 -0.426 10.166 -8.611 1.00 0.00 C ATOM 742 CD PRO A 44 0.208 11.582 -8.510 1.00 0.00 C ATOM 0 HA PRO A 44 1.838 9.960 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.191 8.294 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.477 9.481 -6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.168 9.688 -9.556 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.514 10.220 -8.568 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.419 12.007 -9.491 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.442 12.286 -7.991 1.00 0.00 H new ATOM 750 N LYS A 45 3.291 8.287 -7.257 1.00 0.00 N ATOM 751 CA LYS A 45 4.325 7.447 -7.923 1.00 0.00 C ATOM 752 C LYS A 45 3.680 6.145 -8.398 1.00 0.00 C ATOM 753 O LYS A 45 4.169 5.488 -9.295 1.00 0.00 O ATOM 754 CB LYS A 45 5.439 7.126 -6.923 1.00 0.00 C ATOM 755 CG LYS A 45 6.379 8.321 -6.810 1.00 0.00 C ATOM 756 CD LYS A 45 7.821 7.826 -6.673 1.00 0.00 C ATOM 757 CE LYS A 45 8.709 8.972 -6.185 1.00 0.00 C ATOM 758 NZ LYS A 45 8.713 10.063 -7.198 1.00 0.00 N ATOM 0 H LYS A 45 3.196 8.140 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 45 4.744 7.983 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.011 6.893 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.991 6.244 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.284 8.957 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.109 8.929 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.866 6.993 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.182 7.455 -7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.342 9.349 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.725 8.613 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.475 10.736 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.868 9.658 -8.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.798 10.558 -7.179 1.00 0.00 H new ATOM 772 N GLY A 46 2.584 5.769 -7.800 1.00 0.00 N ATOM 773 CA GLY A 46 1.902 4.510 -8.211 1.00 0.00 C ATOM 774 C GLY A 46 0.756 4.215 -7.244 1.00 0.00 C ATOM 775 O GLY A 46 0.734 4.692 -6.125 1.00 0.00 O ATOM 0 H GLY A 46 2.130 6.280 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.520 4.606 -9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.612 3.683 -8.214 1.00 0.00 H new ATOM 779 N MET A 47 -0.198 3.431 -7.663 1.00 0.00 N ATOM 780 CA MET A 47 -1.341 3.107 -6.766 1.00 0.00 C ATOM 781 C MET A 47 -1.449 1.591 -6.607 1.00 0.00 C ATOM 782 O MET A 47 -0.662 0.841 -7.148 1.00 0.00 O ATOM 783 CB MET A 47 -2.636 3.653 -7.370 1.00 0.00 C ATOM 784 CG MET A 47 -2.377 5.038 -7.966 1.00 0.00 C ATOM 785 SD MET A 47 -3.858 5.606 -8.837 1.00 0.00 S ATOM 786 CE MET A 47 -4.078 7.153 -7.926 1.00 0.00 C ATOM 0 H MET A 47 -0.235 3.001 -8.587 1.00 0.00 H new ATOM 0 HA MET A 47 -1.178 3.563 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.003 2.976 -8.142 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.410 3.714 -6.604 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.114 5.742 -7.177 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.531 4.998 -8.652 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.531 7.899 -8.579 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.727 6.980 -7.067 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.109 7.514 -7.582 1.00 0.00 H new ATOM 796 N ILE A 48 -2.421 1.132 -5.868 1.00 0.00 N ATOM 797 CA ILE A 48 -2.581 -0.334 -5.673 1.00 0.00 C ATOM 798 C ILE A 48 -4.063 -0.705 -5.814 1.00 0.00 C ATOM 799 O ILE A 48 -4.879 -0.271 -5.026 1.00 0.00 O ATOM 800 CB ILE A 48 -2.099 -0.714 -4.272 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.842 0.088 -3.930 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.777 -2.207 -4.233 1.00 0.00 C ATOM 803 CD1 ILE A 48 -0.349 -0.301 -2.536 1.00 0.00 C ATOM 0 H ILE A 48 -3.112 1.711 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.995 -0.868 -6.421 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.880 -0.491 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.064 -0.104 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.059 1.156 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.433 -2.479 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.672 -2.779 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.995 -2.430 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.547 0.271 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.126 -0.087 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.116 -1.366 -2.517 1.00 0.00 H new ATOM 815 N PRO A 49 -4.374 -1.497 -6.812 1.00 0.00 N ATOM 816 CA PRO A 49 -5.745 -1.922 -7.050 1.00 0.00 C ATOM 817 C PRO A 49 -6.188 -2.902 -5.962 1.00 0.00 C ATOM 818 O PRO A 49 -5.582 -3.936 -5.761 1.00 0.00 O ATOM 819 CB PRO A 49 -5.704 -2.607 -8.412 1.00 0.00 C ATOM 820 CG PRO A 49 -4.222 -3.079 -8.536 1.00 0.00 C ATOM 821 CD PRO A 49 -3.382 -2.023 -7.763 1.00 0.00 C ATOM 0 HA PRO A 49 -6.452 -1.092 -7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.398 -3.446 -8.461 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.976 -1.921 -9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.090 -4.073 -8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.915 -3.137 -9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.526 -2.470 -7.257 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.993 -1.246 -8.422 1.00 0.00 H new ATOM 829 N LEU A 50 -7.241 -2.588 -5.257 1.00 0.00 N ATOM 830 CA LEU A 50 -7.716 -3.503 -4.184 1.00 0.00 C ATOM 831 C LEU A 50 -8.371 -4.739 -4.810 1.00 0.00 C ATOM 832 O LEU A 50 -8.827 -5.626 -4.117 1.00 0.00 O ATOM 833 CB LEU A 50 -8.741 -2.778 -3.309 1.00 0.00 C ATOM 834 CG LEU A 50 -8.370 -1.298 -3.184 1.00 0.00 C ATOM 835 CD1 LEU A 50 -9.431 -0.446 -3.881 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.311 -0.904 -1.706 1.00 0.00 C ATOM 0 H LEU A 50 -7.791 -1.738 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.866 -3.811 -3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.736 -2.876 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.777 -3.237 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.397 -1.133 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.167 0.608 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.483 -0.720 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.401 -0.618 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.047 0.150 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.284 -1.072 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.560 -1.509 -1.198 1.00 0.00 H new ATOM 848 N LYS A 51 -8.427 -4.803 -6.114 1.00 0.00 N ATOM 849 CA LYS A 51 -9.059 -5.981 -6.777 1.00 0.00 C ATOM 850 C LYS A 51 -8.614 -7.267 -6.079 1.00 0.00 C ATOM 851 O LYS A 51 -9.421 -8.011 -5.558 1.00 0.00 O ATOM 852 CB LYS A 51 -8.636 -6.034 -8.245 1.00 0.00 C ATOM 853 CG LYS A 51 -9.815 -6.502 -9.101 1.00 0.00 C ATOM 854 CD LYS A 51 -9.971 -5.577 -10.307 1.00 0.00 C ATOM 855 CE LYS A 51 -11.450 -5.242 -10.508 1.00 0.00 C ATOM 856 NZ LYS A 51 -12.180 -6.462 -10.959 1.00 0.00 N ATOM 0 H LYS A 51 -8.063 -4.092 -6.748 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.143 -5.887 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.303 -5.050 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.792 -6.713 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.651 -7.527 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.730 -6.502 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.398 -4.663 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.572 -6.057 -11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.880 -4.872 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.557 -4.448 -11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.157 -6.209 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.703 -6.865 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.190 -7.164 -10.192 1.00 0.00 H new ATOM 870 N GLY A 52 -7.337 -7.540 -6.065 1.00 0.00 N ATOM 871 CA GLY A 52 -6.856 -8.782 -5.400 1.00 0.00 C ATOM 872 C GLY A 52 -5.336 -8.734 -5.231 1.00 0.00 C ATOM 873 O GLY A 52 -4.608 -9.466 -5.874 1.00 0.00 O ATOM 0 H GLY A 52 -6.610 -6.959 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.334 -8.891 -4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.136 -9.653 -5.993 1.00 0.00 H new ATOM 877 N SER A 53 -4.849 -7.888 -4.366 1.00 0.00 N ATOM 878 CA SER A 53 -3.376 -7.807 -4.150 1.00 0.00 C ATOM 879 C SER A 53 -2.952 -8.903 -3.178 1.00 0.00 C ATOM 880 O SER A 53 -3.767 -9.651 -2.674 1.00 0.00 O ATOM 881 CB SER A 53 -3.017 -6.439 -3.569 1.00 0.00 C ATOM 882 OG SER A 53 -3.878 -5.454 -4.125 1.00 0.00 O ATOM 0 H SER A 53 -5.407 -7.249 -3.799 1.00 0.00 H new ATOM 0 HA SER A 53 -2.859 -7.940 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.116 -6.454 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.978 -6.198 -3.791 1.00 0.00 H new ATOM 0 HG SER A 53 -3.652 -4.575 -3.754 1.00 0.00 H new ATOM 888 N THR A 54 -1.682 -9.013 -2.916 1.00 0.00 N ATOM 889 CA THR A 54 -1.206 -10.069 -1.985 1.00 0.00 C ATOM 890 C THR A 54 -0.202 -9.467 -0.997 1.00 0.00 C ATOM 891 O THR A 54 0.309 -8.386 -1.199 1.00 0.00 O ATOM 892 CB THR A 54 -0.555 -11.194 -2.810 1.00 0.00 C ATOM 893 OG1 THR A 54 -0.903 -12.451 -2.249 1.00 0.00 O ATOM 894 CG2 THR A 54 0.968 -11.050 -2.830 1.00 0.00 C ATOM 0 H THR A 54 -0.953 -8.417 -3.307 1.00 0.00 H new ATOM 0 HA THR A 54 -2.040 -10.479 -1.416 1.00 0.00 H new ATOM 0 HB THR A 54 -0.921 -11.127 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.491 -13.169 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.402 -11.858 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.237 -10.092 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.351 -11.098 -1.811 1.00 0.00 H new ATOM 902 N LEU A 55 0.096 -10.166 0.060 1.00 0.00 N ATOM 903 CA LEU A 55 1.077 -9.638 1.047 1.00 0.00 C ATOM 904 C LEU A 55 2.201 -10.662 1.223 1.00 0.00 C ATOM 905 O LEU A 55 1.962 -11.811 1.537 1.00 0.00 O ATOM 906 CB LEU A 55 0.378 -9.405 2.389 1.00 0.00 C ATOM 907 CG LEU A 55 1.131 -8.344 3.195 1.00 0.00 C ATOM 908 CD1 LEU A 55 0.656 -8.377 4.649 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.633 -8.632 3.149 1.00 0.00 C ATOM 0 H LEU A 55 -0.297 -11.080 0.284 1.00 0.00 H new ATOM 0 HA LEU A 55 1.490 -8.694 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.650 -9.084 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.334 -10.337 2.952 1.00 0.00 H new ATOM 0 HG LEU A 55 0.936 -7.361 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.192 -7.622 5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.414 -8.171 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.851 -9.362 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.166 -7.875 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.828 -9.616 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.976 -8.611 2.115 1.00 0.00 H new ATOM 921 N THR A 56 3.425 -10.259 1.016 1.00 0.00 N ATOM 922 CA THR A 56 4.559 -11.217 1.164 1.00 0.00 C ATOM 923 C THR A 56 5.407 -10.831 2.380 1.00 0.00 C ATOM 924 O THR A 56 5.956 -9.751 2.448 1.00 0.00 O ATOM 925 CB THR A 56 5.424 -11.176 -0.099 1.00 0.00 C ATOM 926 OG1 THR A 56 4.602 -11.378 -1.240 1.00 0.00 O ATOM 927 CG2 THR A 56 6.483 -12.277 -0.031 1.00 0.00 C ATOM 0 H THR A 56 3.689 -9.310 0.751 1.00 0.00 H new ATOM 0 HA THR A 56 4.167 -12.224 1.306 1.00 0.00 H new ATOM 0 HB THR A 56 5.916 -10.206 -0.171 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.053 -10.581 -1.393 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.098 -12.247 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.113 -12.122 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.994 -13.248 0.041 1.00 0.00 H new ATOM 935 N SER A 57 5.521 -11.710 3.338 1.00 0.00 N ATOM 936 CA SER A 57 6.339 -11.392 4.544 1.00 0.00 C ATOM 937 C SER A 57 6.925 -12.688 5.119 1.00 0.00 C ATOM 938 O SER A 57 6.195 -13.552 5.564 1.00 0.00 O ATOM 939 CB SER A 57 5.457 -10.719 5.597 1.00 0.00 C ATOM 940 OG SER A 57 4.625 -11.698 6.206 1.00 0.00 O ATOM 0 H SER A 57 5.085 -12.632 3.339 1.00 0.00 H new ATOM 0 HA SER A 57 7.149 -10.718 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.077 -10.232 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.847 -9.943 5.135 1.00 0.00 H new ATOM 0 HG SER A 57 4.879 -12.589 5.886 1.00 0.00 H new ATOM 946 N PRO A 58 8.232 -12.783 5.093 1.00 0.00 N ATOM 947 CA PRO A 58 9.084 -11.733 4.554 1.00 0.00 C ATOM 948 C PRO A 58 8.961 -11.681 3.030 1.00 0.00 C ATOM 949 O PRO A 58 8.131 -12.343 2.442 1.00 0.00 O ATOM 950 CB PRO A 58 10.485 -12.127 4.963 1.00 0.00 C ATOM 951 CG PRO A 58 10.396 -13.677 5.136 1.00 0.00 C ATOM 952 CD PRO A 58 8.940 -13.963 5.606 1.00 0.00 C ATOM 0 HA PRO A 58 8.812 -10.745 4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 58 11.217 -11.850 4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 58 10.785 -11.637 5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.613 -14.189 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.121 -14.032 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.548 -14.891 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.867 -14.046 6.690 1.00 0.00 H new ATOM 960 N CYS A 59 9.782 -10.897 2.385 1.00 0.00 N ATOM 961 CA CYS A 59 9.709 -10.804 0.900 1.00 0.00 C ATOM 962 C CYS A 59 10.714 -11.774 0.274 1.00 0.00 C ATOM 963 O CYS A 59 10.410 -12.927 0.034 1.00 0.00 O ATOM 964 CB CYS A 59 10.035 -9.375 0.462 1.00 0.00 C ATOM 965 SG CYS A 59 10.671 -9.392 -1.233 1.00 0.00 S ATOM 0 H CYS A 59 10.499 -10.318 2.822 1.00 0.00 H new ATOM 0 HA CYS A 59 8.703 -11.064 0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.142 -8.753 0.520 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.773 -8.937 1.134 1.00 0.00 H new ATOM 0 HG CYS A 59 11.665 -8.560 -1.332 1.00 0.00 H new ATOM 971 N GLN A 60 11.908 -11.321 0.006 1.00 0.00 N ATOM 972 CA GLN A 60 12.925 -12.223 -0.605 1.00 0.00 C ATOM 973 C GLN A 60 14.313 -11.873 -0.074 1.00 0.00 C ATOM 974 O GLN A 60 14.458 -11.313 0.993 1.00 0.00 O ATOM 975 CB GLN A 60 12.903 -12.063 -2.126 1.00 0.00 C ATOM 976 CG GLN A 60 13.397 -10.665 -2.503 1.00 0.00 C ATOM 977 CD GLN A 60 12.822 -10.273 -3.864 1.00 0.00 C ATOM 978 OE1 GLN A 60 13.481 -10.578 -4.949 1.00 0.00 O flip ATOM 979 NE2 GLN A 60 11.762 -9.684 -3.943 1.00 0.00 N flip ATOM 0 H GLN A 60 12.223 -10.367 0.183 1.00 0.00 H new ATOM 0 HA GLN A 60 12.692 -13.255 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.535 -12.820 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.892 -12.216 -2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.092 -9.943 -1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.486 -10.649 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.247 -9.445 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.388 -9.428 -4.857 1.00 0.00 H new ATOM 988 N ASP A 61 15.335 -12.193 -0.817 1.00 0.00 N ATOM 989 CA ASP A 61 16.715 -11.873 -0.364 1.00 0.00 C ATOM 990 C ASP A 61 17.064 -10.447 -0.788 1.00 0.00 C ATOM 991 O ASP A 61 18.219 -10.080 -0.881 1.00 0.00 O ATOM 992 CB ASP A 61 17.701 -12.855 -1.001 1.00 0.00 C ATOM 993 CG ASP A 61 18.495 -13.569 0.094 1.00 0.00 C ATOM 994 OD1 ASP A 61 17.896 -13.928 1.094 1.00 0.00 O ATOM 995 OD2 ASP A 61 19.688 -13.744 -0.086 1.00 0.00 O ATOM 0 H ASP A 61 15.273 -12.663 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 61 16.775 -11.956 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.163 -13.583 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 61 18.380 -12.323 -1.668 1.00 0.00 H new ATOM 1000 N PHE A 62 16.072 -9.637 -1.047 1.00 0.00 N ATOM 1001 CA PHE A 62 16.347 -8.233 -1.469 1.00 0.00 C ATOM 1002 C PHE A 62 16.426 -7.336 -0.231 1.00 0.00 C ATOM 1003 O PHE A 62 17.418 -6.674 0.004 1.00 0.00 O ATOM 1004 CB PHE A 62 15.216 -7.747 -2.380 1.00 0.00 C ATOM 1005 CG PHE A 62 15.485 -6.323 -2.809 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.386 -5.280 -1.879 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.830 -6.045 -4.138 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.632 -3.960 -2.277 1.00 0.00 C ATOM 1009 CE2 PHE A 62 16.076 -4.726 -4.538 1.00 0.00 C ATOM 1010 CZ PHE A 62 15.977 -3.683 -3.607 1.00 0.00 C ATOM 0 H PHE A 62 15.085 -9.887 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 62 17.293 -8.192 -2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 62 15.138 -8.392 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.263 -7.805 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 62 15.120 -5.494 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.906 -6.849 -4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.556 -3.156 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.342 -4.512 -5.563 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.167 -2.665 -3.915 1.00 0.00 H new ATOM 1020 N GLY A 63 15.391 -7.309 0.562 1.00 0.00 N ATOM 1021 CA GLY A 63 15.411 -6.453 1.781 1.00 0.00 C ATOM 1022 C GLY A 63 15.418 -7.339 3.028 1.00 0.00 C ATOM 1023 O GLY A 63 15.142 -6.891 4.123 1.00 0.00 O ATOM 0 H GLY A 63 14.533 -7.842 0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.292 -5.811 1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.540 -5.798 1.792 1.00 0.00 H new ATOM 1027 N LYS A 64 15.732 -8.596 2.871 1.00 0.00 N ATOM 1028 CA LYS A 64 15.758 -9.511 4.046 1.00 0.00 C ATOM 1029 C LYS A 64 16.553 -8.859 5.179 1.00 0.00 C ATOM 1030 O LYS A 64 17.759 -8.985 5.255 1.00 0.00 O ATOM 1031 CB LYS A 64 16.423 -10.832 3.650 1.00 0.00 C ATOM 1032 CG LYS A 64 16.095 -11.905 4.690 1.00 0.00 C ATOM 1033 CD LYS A 64 16.475 -13.281 4.141 1.00 0.00 C ATOM 1034 CE LYS A 64 16.750 -14.237 5.302 1.00 0.00 C ATOM 1035 NZ LYS A 64 18.187 -14.149 5.687 1.00 0.00 N ATOM 0 H LYS A 64 15.972 -9.029 1.979 1.00 0.00 H new ATOM 0 HA LYS A 64 14.739 -9.704 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.074 -11.146 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.503 -10.700 3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.638 -11.708 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.033 -11.879 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.670 -13.671 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.358 -13.200 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.118 -13.984 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.502 -15.258 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.375 -14.799 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.781 -14.411 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.409 -13.176 5.979 1.00 0.00 H new ATOM 1049 N ARG A 65 15.888 -8.162 6.059 1.00 0.00 N ATOM 1050 CA ARG A 65 16.608 -7.502 7.184 1.00 0.00 C ATOM 1051 C ARG A 65 15.616 -6.705 8.030 1.00 0.00 C ATOM 1052 O ARG A 65 14.987 -7.228 8.928 1.00 0.00 O ATOM 1053 CB ARG A 65 17.686 -6.568 6.624 1.00 0.00 C ATOM 1054 CG ARG A 65 19.045 -7.270 6.674 1.00 0.00 C ATOM 1055 CD ARG A 65 20.082 -6.330 7.293 1.00 0.00 C ATOM 1056 NE ARG A 65 20.995 -5.829 6.228 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.785 -6.658 5.600 1.00 0.00 C ATOM 1058 NH1 ARG A 65 22.269 -7.697 6.224 1.00 0.00 N ATOM 1059 NH2 ARG A 65 22.091 -6.448 4.350 1.00 0.00 N ATOM 0 H ARG A 65 14.878 -8.021 6.048 1.00 0.00 H new ATOM 0 HA ARG A 65 17.081 -8.260 7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.445 -6.291 5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.720 -5.645 7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.972 -8.186 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 65 19.354 -7.559 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.584 -5.494 7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.653 -6.855 8.059 1.00 0.00 H new ATOM 0 HE ARG A 65 21.003 -4.837 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.030 -7.861 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.886 -8.345 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.713 -5.636 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.708 -7.096 3.860 1.00 0.00 H new ATOM 1073 N MET A 66 15.475 -5.442 7.753 1.00 0.00 N ATOM 1074 CA MET A 66 14.525 -4.606 8.541 1.00 0.00 C ATOM 1075 C MET A 66 13.096 -5.102 8.309 1.00 0.00 C ATOM 1076 O MET A 66 12.864 -6.277 8.097 1.00 0.00 O ATOM 1077 CB MET A 66 14.642 -3.146 8.095 1.00 0.00 C ATOM 1078 CG MET A 66 16.100 -2.694 8.209 1.00 0.00 C ATOM 1079 SD MET A 66 16.434 -1.418 6.971 1.00 0.00 S ATOM 1080 CE MET A 66 16.593 -2.523 5.547 1.00 0.00 C ATOM 0 H MET A 66 15.976 -4.949 7.014 1.00 0.00 H new ATOM 0 HA MET A 66 14.765 -4.681 9.602 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.296 -3.040 7.067 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.004 -2.513 8.713 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.294 -2.306 9.209 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.768 -3.543 8.061 1.00 0.00 H new ATOM 0 HE1 MET A 66 17.169 -2.028 4.765 1.00 0.00 H new ATOM 0 HE2 MET A 66 17.103 -3.437 5.851 1.00 0.00 H new ATOM 0 HE3 MET A 66 15.602 -2.770 5.166 1.00 0.00 H new ATOM 1090 N PHE A 67 12.135 -4.221 8.349 1.00 0.00 N ATOM 1091 CA PHE A 67 10.725 -4.647 8.133 1.00 0.00 C ATOM 1092 C PHE A 67 10.307 -4.318 6.698 1.00 0.00 C ATOM 1093 O PHE A 67 9.648 -3.329 6.440 1.00 0.00 O ATOM 1094 CB PHE A 67 9.816 -3.910 9.117 1.00 0.00 C ATOM 1095 CG PHE A 67 10.266 -4.205 10.527 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.018 -5.463 11.092 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.931 -3.221 11.271 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.435 -5.737 12.400 1.00 0.00 C ATOM 1099 CE2 PHE A 67 11.348 -3.496 12.580 1.00 0.00 C ATOM 1100 CZ PHE A 67 11.100 -4.753 13.146 1.00 0.00 C ATOM 0 H PHE A 67 12.266 -3.224 8.522 1.00 0.00 H new ATOM 0 HA PHE A 67 10.638 -5.721 8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.851 -2.837 8.929 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.781 -4.224 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.505 -6.221 10.519 1.00 0.00 H new ATOM 0 HD2 PHE A 67 11.122 -2.251 10.836 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.244 -6.707 12.835 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.861 -2.738 13.153 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.420 -4.964 14.156 1.00 0.00 H new ATOM 1110 N VAL A 68 10.693 -5.143 5.762 1.00 0.00 N ATOM 1111 CA VAL A 68 10.330 -4.890 4.340 1.00 0.00 C ATOM 1112 C VAL A 68 9.452 -6.037 3.829 1.00 0.00 C ATOM 1113 O VAL A 68 9.761 -7.198 4.014 1.00 0.00 O ATOM 1114 CB VAL A 68 11.613 -4.806 3.501 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.608 -5.859 3.992 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.294 -5.060 2.023 1.00 0.00 C ATOM 0 H VAL A 68 11.246 -5.985 5.923 1.00 0.00 H new ATOM 0 HA VAL A 68 9.780 -3.952 4.259 1.00 0.00 H new ATOM 0 HB VAL A 68 12.044 -3.810 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.520 -5.802 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.845 -5.675 5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.169 -6.851 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.211 -4.998 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.858 -6.052 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.586 -4.310 1.669 1.00 0.00 H new ATOM 1126 N PHE A 69 8.364 -5.722 3.179 1.00 0.00 N ATOM 1127 CA PHE A 69 7.480 -6.799 2.651 1.00 0.00 C ATOM 1128 C PHE A 69 7.234 -6.577 1.156 1.00 0.00 C ATOM 1129 O PHE A 69 7.608 -5.561 0.598 1.00 0.00 O ATOM 1130 CB PHE A 69 6.147 -6.787 3.406 1.00 0.00 C ATOM 1131 CG PHE A 69 5.313 -5.611 2.954 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.655 -5.652 1.717 1.00 0.00 C ATOM 1133 CD2 PHE A 69 5.196 -4.482 3.773 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.883 -4.562 1.299 1.00 0.00 C ATOM 1135 CE2 PHE A 69 4.423 -3.392 3.356 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.766 -3.431 2.117 1.00 0.00 C ATOM 0 H PHE A 69 8.051 -4.770 2.992 1.00 0.00 H new ATOM 0 HA PHE A 69 7.963 -7.766 2.794 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.608 -7.717 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.327 -6.726 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.744 -6.524 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.702 -4.452 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.377 -4.593 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.332 -2.521 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.171 -2.590 1.794 1.00 0.00 H new ATOM 1146 N LYS A 70 6.608 -7.520 0.504 1.00 0.00 N ATOM 1147 CA LYS A 70 6.337 -7.371 -0.953 1.00 0.00 C ATOM 1148 C LYS A 70 4.882 -7.747 -1.251 1.00 0.00 C ATOM 1149 O LYS A 70 4.475 -8.878 -1.080 1.00 0.00 O ATOM 1150 CB LYS A 70 7.267 -8.298 -1.739 1.00 0.00 C ATOM 1151 CG LYS A 70 6.846 -8.318 -3.210 1.00 0.00 C ATOM 1152 CD LYS A 70 6.044 -9.587 -3.502 1.00 0.00 C ATOM 1153 CE LYS A 70 6.872 -10.817 -3.127 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.583 -11.921 -4.087 1.00 0.00 N ATOM 0 H LYS A 70 6.272 -8.389 0.920 1.00 0.00 H new ATOM 0 HA LYS A 70 6.511 -6.336 -1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.298 -7.956 -1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.228 -9.306 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.246 -7.437 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.727 -8.278 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.112 -9.578 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.776 -9.625 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.934 -10.573 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.635 -11.133 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.146 -12.758 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.571 -12.159 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.830 -11.617 -5.050 1.00 0.00 H new ATOM 1168 N ILE A 71 4.102 -6.808 -1.707 1.00 0.00 N ATOM 1169 CA ILE A 71 2.678 -7.108 -2.031 1.00 0.00 C ATOM 1170 C ILE A 71 2.574 -7.417 -3.525 1.00 0.00 C ATOM 1171 O ILE A 71 3.452 -7.096 -4.301 1.00 0.00 O ATOM 1172 CB ILE A 71 1.812 -5.889 -1.670 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.398 -5.979 -0.199 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.554 -5.835 -2.546 1.00 0.00 C ATOM 1175 CD1 ILE A 71 1.046 -4.582 0.316 1.00 0.00 C ATOM 0 H ILE A 71 4.389 -5.843 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 71 2.326 -7.968 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 71 2.396 -4.985 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.542 -6.645 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.209 -6.403 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.043 -4.965 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.843 -5.762 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.034 -6.740 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.751 -4.644 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.914 -3.930 0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.222 -4.175 -0.270 1.00 0.00 H new ATOM 1187 N THR A 72 1.508 -8.042 -3.930 1.00 0.00 N ATOM 1188 CA THR A 72 1.346 -8.378 -5.371 1.00 0.00 C ATOM 1189 C THR A 72 -0.039 -7.945 -5.837 1.00 0.00 C ATOM 1190 O THR A 72 -0.999 -8.682 -5.730 1.00 0.00 O ATOM 1191 CB THR A 72 1.492 -9.889 -5.566 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.747 -10.314 -5.054 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.406 -10.222 -7.054 1.00 0.00 C ATOM 0 H THR A 72 0.740 -8.336 -3.326 1.00 0.00 H new ATOM 0 HA THR A 72 2.110 -7.860 -5.951 1.00 0.00 H new ATOM 0 HB THR A 72 0.692 -10.403 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.840 -11.282 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.510 -11.298 -7.193 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.441 -9.897 -7.444 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.205 -9.708 -7.589 1.00 0.00 H new ATOM 1201 N THR A 73 -0.154 -6.758 -6.359 1.00 0.00 N ATOM 1202 CA THR A 73 -1.483 -6.290 -6.834 1.00 0.00 C ATOM 1203 C THR A 73 -2.007 -7.272 -7.878 1.00 0.00 C ATOM 1204 O THR A 73 -1.250 -7.906 -8.584 1.00 0.00 O ATOM 1205 CB THR A 73 -1.355 -4.898 -7.457 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.935 -5.022 -8.808 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.330 -4.074 -6.674 1.00 0.00 C ATOM 0 H THR A 73 0.611 -6.094 -6.477 1.00 0.00 H new ATOM 0 HA THR A 73 -2.174 -6.237 -5.993 1.00 0.00 H new ATOM 0 HB THR A 73 -2.322 -4.395 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.293 -4.275 -9.332 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.242 -3.084 -7.121 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.656 -3.977 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.638 -4.574 -6.705 1.00 0.00 H new ATOM 1215 N THR A 74 -3.296 -7.403 -7.975 1.00 0.00 N ATOM 1216 CA THR A 74 -3.878 -8.345 -8.968 1.00 0.00 C ATOM 1217 C THR A 74 -3.138 -8.216 -10.303 1.00 0.00 C ATOM 1218 O THR A 74 -3.088 -9.144 -11.085 1.00 0.00 O ATOM 1219 CB THR A 74 -5.358 -8.010 -9.165 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.759 -8.389 -10.474 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.571 -6.508 -8.974 1.00 0.00 C ATOM 0 H THR A 74 -3.976 -6.897 -7.408 1.00 0.00 H new ATOM 0 HA THR A 74 -3.777 -9.368 -8.605 1.00 0.00 H new ATOM 0 HB THR A 74 -5.956 -8.554 -8.434 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.707 -8.176 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.625 -6.269 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.265 -6.222 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.975 -5.960 -9.704 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.559 -7.076 -10.570 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.821 -6.900 -11.854 1.00 0.00 C ATOM 1231 C LYS A 75 -0.367 -7.347 -11.675 1.00 0.00 C ATOM 1232 O LYS A 75 0.542 -6.781 -12.248 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.854 -5.427 -12.266 1.00 0.00 C ATOM 1234 CG LYS A 75 -2.201 -5.320 -13.752 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.246 -4.337 -14.432 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.017 -3.083 -14.852 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.131 -2.156 -13.691 1.00 0.00 N ATOM 0 H LYS A 75 -2.565 -6.261 -9.956 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.294 -7.504 -12.628 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.591 -4.888 -11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.887 -4.963 -12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.128 -6.300 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.231 -4.984 -13.872 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.438 -4.069 -13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.787 -4.804 -15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.505 -2.588 -15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.009 -3.357 -15.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.014 -1.175 -14.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.066 -2.265 -13.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.392 -2.379 -12.995 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.144 -8.363 -10.885 1.00 0.00 N ATOM 1252 CA GLN A 76 1.247 -8.850 -10.669 1.00 0.00 C ATOM 1253 C GLN A 76 2.185 -7.659 -10.459 1.00 0.00 C ATOM 1254 O GLN A 76 3.349 -7.707 -10.803 1.00 0.00 O ATOM 1255 CB GLN A 76 1.701 -9.649 -11.891 1.00 0.00 C ATOM 1256 CG GLN A 76 0.724 -10.800 -12.137 1.00 0.00 C ATOM 1257 CD GLN A 76 1.462 -12.134 -12.005 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.245 -12.495 -12.861 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.247 -12.884 -10.959 1.00 0.00 N ATOM 0 H GLN A 76 -0.866 -8.876 -10.380 1.00 0.00 H new ATOM 0 HA GLN A 76 1.273 -9.488 -9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.745 -9.001 -12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.706 -10.039 -11.732 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.096 -10.754 -11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.285 -10.712 -13.131 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.590 -12.581 -10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.736 -13.773 -10.860 1.00 0.00 H new ATOM 1268 N GLN A 77 1.690 -6.593 -9.893 1.00 0.00 N ATOM 1269 CA GLN A 77 2.558 -5.405 -9.658 1.00 0.00 C ATOM 1270 C GLN A 77 3.218 -5.534 -8.283 1.00 0.00 C ATOM 1271 O GLN A 77 2.705 -5.058 -7.289 1.00 0.00 O ATOM 1272 CB GLN A 77 1.707 -4.134 -9.701 1.00 0.00 C ATOM 1273 CG GLN A 77 2.284 -3.169 -10.738 1.00 0.00 C ATOM 1274 CD GLN A 77 1.162 -2.661 -11.645 1.00 0.00 C ATOM 1275 OE1 GLN A 77 0.018 -2.599 -11.240 1.00 0.00 O ATOM 1276 NE2 GLN A 77 1.443 -2.292 -12.866 1.00 0.00 N ATOM 0 H GLN A 77 0.723 -6.493 -9.583 1.00 0.00 H new ATOM 0 HA GLN A 77 3.325 -5.350 -10.430 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.676 -4.382 -9.953 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.690 -3.662 -8.719 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.770 -2.331 -10.239 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.047 -3.672 -11.333 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.403 -2.344 -13.206 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.702 -1.952 -13.479 1.00 0.00 H new ATOM 1285 N ASP A 78 4.346 -6.187 -8.219 1.00 0.00 N ATOM 1286 CA ASP A 78 5.037 -6.361 -6.910 1.00 0.00 C ATOM 1287 C ASP A 78 5.340 -4.997 -6.289 1.00 0.00 C ATOM 1288 O ASP A 78 5.663 -4.046 -6.974 1.00 0.00 O ATOM 1289 CB ASP A 78 6.347 -7.122 -7.127 1.00 0.00 C ATOM 1290 CG ASP A 78 6.045 -8.526 -7.652 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.914 -8.672 -8.855 1.00 0.00 O ATOM 1292 OD2 ASP A 78 5.950 -9.433 -6.841 1.00 0.00 O ATOM 0 H ASP A 78 4.820 -6.608 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 78 4.389 -6.922 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.977 -6.586 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.902 -7.185 -6.191 1.00 0.00 H new ATOM 1297 N HIS A 79 5.248 -4.900 -4.991 1.00 0.00 N ATOM 1298 CA HIS A 79 5.537 -3.610 -4.304 1.00 0.00 C ATOM 1299 C HIS A 79 6.402 -3.891 -3.075 1.00 0.00 C ATOM 1300 O HIS A 79 5.933 -4.408 -2.080 1.00 0.00 O ATOM 1301 CB HIS A 79 4.224 -2.955 -3.866 1.00 0.00 C ATOM 1302 CG HIS A 79 3.699 -2.084 -4.974 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.102 -0.767 -5.134 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.800 -2.325 -5.983 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.451 -0.271 -6.202 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.644 -1.179 -6.756 1.00 0.00 N ATOM 0 H HIS A 79 4.983 -5.666 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 79 6.062 -2.938 -4.983 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.491 -3.721 -3.614 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.385 -2.360 -2.967 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.291 -3.262 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.567 0.739 -6.567 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.042 -1.058 -7.571 1.00 0.00 H new ATOM 1314 N PHE A 80 7.665 -3.566 -3.135 1.00 0.00 N ATOM 1315 CA PHE A 80 8.554 -3.830 -1.967 1.00 0.00 C ATOM 1316 C PHE A 80 8.786 -2.535 -1.187 1.00 0.00 C ATOM 1317 O PHE A 80 9.448 -1.630 -1.653 1.00 0.00 O ATOM 1318 CB PHE A 80 9.905 -4.369 -2.451 1.00 0.00 C ATOM 1319 CG PHE A 80 9.735 -5.126 -3.748 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.687 -4.430 -4.965 1.00 0.00 C ATOM 1321 CD2 PHE A 80 9.635 -6.524 -3.737 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.536 -5.132 -6.167 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.487 -7.225 -4.940 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.436 -6.530 -6.156 1.00 0.00 C ATOM 0 H PHE A 80 8.118 -3.131 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 80 8.075 -4.567 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.603 -3.544 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.335 -5.024 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.766 -3.353 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.672 -7.061 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.497 -4.596 -7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.412 -8.302 -4.931 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.320 -7.071 -7.083 1.00 0.00 H new ATOM 1334 N PHE A 81 8.258 -2.440 0.005 1.00 0.00 N ATOM 1335 CA PHE A 81 8.470 -1.204 0.810 1.00 0.00 C ATOM 1336 C PHE A 81 8.638 -1.586 2.284 1.00 0.00 C ATOM 1337 O PHE A 81 8.060 -2.545 2.758 1.00 0.00 O ATOM 1338 CB PHE A 81 7.282 -0.231 0.598 1.00 0.00 C ATOM 1339 CG PHE A 81 6.334 -0.203 1.786 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.767 0.277 3.033 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.012 -0.639 1.629 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.881 0.314 4.118 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.125 -0.597 2.715 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.561 -0.122 3.958 1.00 0.00 C ATOM 0 H PHE A 81 7.692 -3.161 0.453 1.00 0.00 H new ATOM 0 HA PHE A 81 9.376 -0.692 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.666 0.773 0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.731 -0.524 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.784 0.618 3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.675 -1.008 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.217 0.679 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.105 -0.931 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.878 -0.092 4.794 1.00 0.00 H new ATOM 1354 N GLN A 82 9.425 -0.840 3.007 1.00 0.00 N ATOM 1355 CA GLN A 82 9.633 -1.148 4.446 1.00 0.00 C ATOM 1356 C GLN A 82 9.047 -0.017 5.291 1.00 0.00 C ATOM 1357 O GLN A 82 9.145 1.145 4.946 1.00 0.00 O ATOM 1358 CB GLN A 82 11.132 -1.272 4.731 1.00 0.00 C ATOM 1359 CG GLN A 82 11.358 -1.414 6.237 1.00 0.00 C ATOM 1360 CD GLN A 82 12.455 -0.446 6.681 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.440 -0.852 7.265 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.325 0.828 6.429 1.00 0.00 N ATOM 0 H GLN A 82 9.935 -0.027 2.660 1.00 0.00 H new ATOM 0 HA GLN A 82 9.139 -2.087 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.541 -2.137 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.658 -0.394 4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.434 -1.205 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.643 -2.438 6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.498 1.169 5.939 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.050 1.482 6.722 1.00 0.00 H new ATOM 1371 N ALA A 83 8.438 -0.347 6.397 1.00 0.00 N ATOM 1372 CA ALA A 83 7.846 0.709 7.264 1.00 0.00 C ATOM 1373 C ALA A 83 8.893 1.184 8.275 1.00 0.00 C ATOM 1374 O ALA A 83 10.075 1.203 7.995 1.00 0.00 O ATOM 1375 CB ALA A 83 6.638 0.137 8.011 1.00 0.00 C ATOM 0 H ALA A 83 8.325 -1.302 6.737 1.00 0.00 H new ATOM 0 HA ALA A 83 7.528 1.550 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.204 0.909 8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.893 -0.203 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.956 -0.703 8.628 1.00 0.00 H new ATOM 1381 N ALA A 84 8.470 1.569 9.448 1.00 0.00 N ATOM 1382 CA ALA A 84 9.441 2.044 10.472 1.00 0.00 C ATOM 1383 C ALA A 84 9.844 0.883 11.376 1.00 0.00 C ATOM 1384 O ALA A 84 10.930 0.348 11.280 1.00 0.00 O ATOM 1385 CB ALA A 84 8.794 3.142 11.316 1.00 0.00 C ATOM 0 H ALA A 84 7.493 1.575 9.741 1.00 0.00 H new ATOM 0 HA ALA A 84 10.326 2.439 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.504 3.490 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.508 3.974 10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.908 2.745 11.812 1.00 0.00 H new ATOM 1391 N PHE A 85 8.973 0.503 12.256 1.00 0.00 N ATOM 1392 CA PHE A 85 9.281 -0.620 13.189 1.00 0.00 C ATOM 1393 C PHE A 85 8.350 -1.796 12.896 1.00 0.00 C ATOM 1394 O PHE A 85 7.513 -1.736 12.022 1.00 0.00 O ATOM 1395 CB PHE A 85 9.087 -0.161 14.640 1.00 0.00 C ATOM 1396 CG PHE A 85 8.108 0.989 14.694 1.00 0.00 C ATOM 1397 CD1 PHE A 85 8.532 2.286 14.372 1.00 0.00 C ATOM 1398 CD2 PHE A 85 6.776 0.760 15.065 1.00 0.00 C ATOM 1399 CE1 PHE A 85 7.625 3.353 14.420 1.00 0.00 C ATOM 1400 CE2 PHE A 85 5.869 1.828 15.113 1.00 0.00 C ATOM 1401 CZ PHE A 85 6.293 3.124 14.792 1.00 0.00 C ATOM 0 H PHE A 85 8.051 0.922 12.375 1.00 0.00 H new ATOM 0 HA PHE A 85 10.316 -0.930 13.047 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.720 -0.990 15.246 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.043 0.145 15.064 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.559 2.463 14.087 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.448 -0.239 15.314 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.952 4.352 14.170 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.842 1.651 15.398 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.594 3.946 14.831 1.00 0.00 H new ATOM 1411 N LEU A 86 8.503 -2.867 13.622 1.00 0.00 N ATOM 1412 CA LEU A 86 7.638 -4.063 13.395 1.00 0.00 C ATOM 1413 C LEU A 86 6.162 -3.674 13.526 1.00 0.00 C ATOM 1414 O LEU A 86 5.371 -3.886 12.629 1.00 0.00 O ATOM 1415 CB LEU A 86 7.982 -5.139 14.441 1.00 0.00 C ATOM 1416 CG LEU A 86 6.794 -6.093 14.634 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.305 -7.516 14.845 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.988 -5.659 15.861 1.00 0.00 C ATOM 0 H LEU A 86 9.192 -2.968 14.367 1.00 0.00 H new ATOM 0 HA LEU A 86 7.814 -4.452 12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.860 -5.700 14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.235 -4.666 15.390 1.00 0.00 H new ATOM 0 HG LEU A 86 6.160 -6.063 13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.459 -8.190 14.982 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.881 -7.829 13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.940 -7.547 15.730 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.144 -6.335 16.000 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.626 -5.689 16.744 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.619 -4.644 15.714 1.00 0.00 H new ATOM 1430 N GLU A 87 5.783 -3.132 14.649 1.00 0.00 N ATOM 1431 CA GLU A 87 4.357 -2.758 14.853 1.00 0.00 C ATOM 1432 C GLU A 87 3.851 -1.918 13.676 1.00 0.00 C ATOM 1433 O GLU A 87 2.821 -2.204 13.101 1.00 0.00 O ATOM 1434 CB GLU A 87 4.220 -1.959 16.150 1.00 0.00 C ATOM 1435 CG GLU A 87 3.037 -2.498 16.955 1.00 0.00 C ATOM 1436 CD GLU A 87 1.998 -1.390 17.138 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.360 -0.343 17.648 1.00 0.00 O ATOM 1438 OE2 GLU A 87 0.856 -1.608 16.765 1.00 0.00 O ATOM 0 H GLU A 87 6.401 -2.932 15.436 1.00 0.00 H new ATOM 0 HA GLU A 87 3.760 -3.667 14.917 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.137 -2.034 16.735 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.071 -0.903 15.926 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.590 -3.349 16.440 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.377 -2.856 17.927 1.00 0.00 H new ATOM 1445 N GLU A 88 4.557 -0.883 13.316 1.00 0.00 N ATOM 1446 CA GLU A 88 4.099 -0.031 12.180 1.00 0.00 C ATOM 1447 C GLU A 88 4.135 -0.840 10.883 1.00 0.00 C ATOM 1448 O GLU A 88 3.426 -0.551 9.939 1.00 0.00 O ATOM 1449 CB GLU A 88 5.023 1.181 12.047 1.00 0.00 C ATOM 1450 CG GLU A 88 4.576 2.031 10.856 1.00 0.00 C ATOM 1451 CD GLU A 88 5.360 3.345 10.845 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.784 3.768 11.907 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.521 3.906 9.774 1.00 0.00 O ATOM 0 H GLU A 88 5.429 -0.590 13.757 1.00 0.00 H new ATOM 0 HA GLU A 88 3.080 0.305 12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.997 1.774 12.961 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.053 0.853 11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.742 1.488 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.507 2.233 10.921 1.00 0.00 H new ATOM 1460 N ARG A 89 4.958 -1.849 10.827 1.00 0.00 N ATOM 1461 CA ARG A 89 5.045 -2.677 9.590 1.00 0.00 C ATOM 1462 C ARG A 89 3.738 -3.446 9.388 1.00 0.00 C ATOM 1463 O ARG A 89 3.005 -3.207 8.451 1.00 0.00 O ATOM 1464 CB ARG A 89 6.205 -3.667 9.723 1.00 0.00 C ATOM 1465 CG ARG A 89 6.171 -4.657 8.556 1.00 0.00 C ATOM 1466 CD ARG A 89 6.176 -6.087 9.101 1.00 0.00 C ATOM 1467 NE ARG A 89 6.340 -7.048 7.972 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.362 -7.859 7.951 1.00 0.00 C ATOM 1469 NH1 ARG A 89 7.462 -8.805 8.844 1.00 0.00 N ATOM 1470 NH2 ARG A 89 8.283 -7.724 7.037 1.00 0.00 N ATOM 0 H ARG A 89 5.576 -2.137 11.586 1.00 0.00 H new ATOM 0 HA ARG A 89 5.215 -2.027 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.154 -3.131 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.133 -4.202 10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.281 -4.491 7.950 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.033 -4.501 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.987 -6.211 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.246 -6.289 9.632 1.00 0.00 H new ATOM 0 HE ARG A 89 5.654 -7.071 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.741 -8.910 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.261 -9.439 8.828 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.204 -6.985 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.082 -8.358 7.021 1.00 0.00 H new ATOM 1484 N ASP A 90 3.441 -4.371 10.260 1.00 0.00 N ATOM 1485 CA ASP A 90 2.181 -5.155 10.113 1.00 0.00 C ATOM 1486 C ASP A 90 0.985 -4.203 10.139 1.00 0.00 C ATOM 1487 O ASP A 90 -0.019 -4.440 9.500 1.00 0.00 O ATOM 1488 CB ASP A 90 2.068 -6.154 11.265 1.00 0.00 C ATOM 1489 CG ASP A 90 2.890 -7.403 10.939 1.00 0.00 C ATOM 1490 OD1 ASP A 90 2.741 -7.916 9.842 1.00 0.00 O ATOM 1491 OD2 ASP A 90 3.655 -7.824 11.791 1.00 0.00 O ATOM 0 H ASP A 90 4.015 -4.618 11.066 1.00 0.00 H new ATOM 0 HA ASP A 90 2.193 -5.695 9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.426 -5.701 12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.024 -6.424 11.425 1.00 0.00 H new ATOM 1496 N ALA A 91 1.082 -3.126 10.869 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.054 -2.163 10.927 1.00 0.00 C ATOM 1498 C ALA A 91 -0.285 -1.568 9.538 1.00 0.00 C ATOM 1499 O ALA A 91 -1.407 -1.329 9.133 1.00 0.00 O ATOM 1500 CB ALA A 91 0.273 -1.042 11.915 1.00 0.00 C ATOM 0 H ALA A 91 1.897 -2.871 11.427 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.954 -2.682 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.559 -0.339 11.956 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.438 -1.467 12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.173 -0.521 11.589 1.00 0.00 H new ATOM 1506 N TRP A 92 0.765 -1.333 8.799 1.00 0.00 N ATOM 1507 CA TRP A 92 0.603 -0.764 7.437 1.00 0.00 C ATOM 1508 C TRP A 92 0.019 -1.841 6.526 1.00 0.00 C ATOM 1509 O TRP A 92 -1.021 -1.666 5.924 1.00 0.00 O ATOM 1510 CB TRP A 92 1.971 -0.328 6.914 1.00 0.00 C ATOM 1511 CG TRP A 92 2.065 1.161 6.962 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.571 1.873 7.995 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.649 2.130 5.959 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.490 3.220 7.691 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.929 3.429 6.447 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.062 2.012 4.686 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.635 4.568 5.699 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.765 3.158 3.930 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.051 4.432 4.435 1.00 0.00 C ATOM 0 H TRP A 92 1.728 -1.512 9.083 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.064 0.098 7.460 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.763 -0.774 7.517 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.112 -0.680 5.892 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.972 1.458 8.908 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.806 3.967 8.310 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.838 1.034 4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.857 5.549 6.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.314 3.056 2.954 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.821 5.310 3.849 1.00 0.00 H new ATOM 1530 N VAL A 93 0.681 -2.959 6.432 1.00 0.00 N ATOM 1531 CA VAL A 93 0.165 -4.062 5.572 1.00 0.00 C ATOM 1532 C VAL A 93 -1.190 -4.526 6.110 1.00 0.00 C ATOM 1533 O VAL A 93 -1.923 -5.235 5.449 1.00 0.00 O ATOM 1534 CB VAL A 93 1.150 -5.238 5.581 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.205 -5.028 4.495 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.842 -5.329 6.938 1.00 0.00 C ATOM 0 H VAL A 93 1.558 -3.158 6.913 1.00 0.00 H new ATOM 0 HA VAL A 93 0.053 -3.701 4.550 1.00 0.00 H new ATOM 0 HB VAL A 93 0.602 -6.161 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.905 -5.864 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.718 -4.970 3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.745 -4.101 4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.539 -6.167 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.386 -4.405 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.096 -5.481 7.718 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.529 -4.127 7.307 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.838 -4.540 7.892 1.00 0.00 C ATOM 1548 C ARG A 94 -3.951 -3.650 7.336 1.00 0.00 C ATOM 1549 O ARG A 94 -5.059 -4.094 7.112 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.789 -4.388 9.416 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.203 -5.655 10.045 1.00 0.00 C ATOM 1552 CD ARG A 94 -3.338 -6.588 10.476 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.124 -7.010 11.889 1.00 0.00 N ATOM 1554 CZ ARG A 94 -3.979 -7.808 12.470 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -4.874 -8.436 11.757 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -3.938 -7.978 13.764 1.00 0.00 N ATOM 0 H ARG A 94 -0.956 -3.532 7.905 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.035 -5.580 7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.182 -3.523 9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.791 -4.208 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.554 -6.161 9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.587 -5.394 10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.298 -6.080 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.372 -7.462 9.825 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.309 -6.675 12.403 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.906 -8.303 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.542 -9.059 12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.238 -7.488 14.321 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.606 -8.601 14.218 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.669 -2.394 7.120 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.718 -1.477 6.589 1.00 0.00 C ATOM 1572 C ASP A 95 -4.758 -1.554 5.061 1.00 0.00 C ATOM 1573 O ASP A 95 -5.780 -1.315 4.450 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.406 -0.044 7.019 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.607 0.535 7.770 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.715 0.377 7.285 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.398 1.124 8.817 1.00 0.00 O ATOM 0 H ASP A 95 -2.760 -1.964 7.288 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.688 -1.777 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.522 -0.028 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.180 0.568 6.146 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.663 -1.886 4.433 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.672 -1.975 2.945 1.00 0.00 C ATOM 1584 C ILE A 96 -4.333 -3.290 2.530 1.00 0.00 C ATOM 1585 O ILE A 96 -5.052 -3.353 1.553 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.240 -1.925 2.403 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.663 -0.518 2.628 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.262 -2.249 0.907 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.463 -0.277 1.703 1.00 0.00 C ATOM 0 H ILE A 96 -2.771 -2.098 4.880 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.230 -1.133 2.536 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.617 -2.654 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.432 0.231 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.357 -0.406 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.246 -2.216 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.677 -3.246 0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.878 -1.517 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.066 0.724 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.311 -1.015 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.780 -0.368 0.664 1.00 0.00 H new ATOM 1601 N ASN A 97 -4.106 -4.340 3.273 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.732 -5.647 2.926 1.00 0.00 C ATOM 1603 C ASN A 97 -6.138 -5.704 3.522 1.00 0.00 C ATOM 1604 O ASN A 97 -7.055 -6.228 2.922 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.887 -6.789 3.495 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.255 -8.097 2.788 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.903 -8.949 3.363 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.869 -8.291 1.557 1.00 0.00 N ATOM 0 H ASN A 97 -3.515 -4.348 4.104 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.789 -5.749 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.827 -6.575 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.057 -6.882 4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.111 -9.158 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.325 -7.576 1.074 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.317 -5.163 4.696 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.667 -5.179 5.326 1.00 0.00 C ATOM 1617 C LYS A 98 -8.593 -4.249 4.541 1.00 0.00 C ATOM 1618 O LYS A 98 -9.687 -4.617 4.164 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.564 -4.695 6.773 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.934 -4.802 7.447 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.097 -6.196 8.058 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.267 -6.915 7.384 1.00 0.00 C ATOM 1623 NZ LYS A 98 -11.273 -7.299 8.413 1.00 0.00 N ATOM 0 H LYS A 98 -5.587 -4.711 5.246 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.066 -6.193 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.832 -5.293 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.214 -3.663 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.030 -4.041 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.724 -4.618 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.180 -6.771 7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.275 -6.116 9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.725 -6.266 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.910 -7.802 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.069 -7.788 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.832 -7.933 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.622 -6.445 8.893 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.155 -3.046 4.290 1.00 0.00 N ATOM 1638 CA ALA A 99 -9.001 -2.090 3.525 1.00 0.00 C ATOM 1639 C ALA A 99 -9.254 -2.654 2.126 1.00 0.00 C ATOM 1640 O ALA A 99 -10.345 -2.565 1.599 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.279 -0.744 3.414 1.00 0.00 C ATOM 0 H ALA A 99 -7.247 -2.684 4.582 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.951 -1.946 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.899 -0.044 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.094 -0.347 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.329 -0.882 2.897 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.256 -3.242 1.523 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.449 -3.819 0.163 1.00 0.00 C ATOM 1649 C ILE A 100 -9.505 -4.926 0.243 1.00 0.00 C ATOM 1650 O ILE A 100 -10.333 -5.073 -0.635 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.118 -4.395 -0.346 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.248 -3.264 -0.896 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.377 -5.411 -1.462 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.841 -3.795 -1.178 1.00 0.00 C ATOM 0 H ILE A 100 -7.319 -3.347 1.912 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.783 -3.045 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.608 -4.888 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.687 -2.864 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.202 -2.444 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.428 -5.813 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.995 -6.223 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.893 -4.921 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.220 -2.990 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.403 -4.174 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.896 -4.600 -1.911 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.482 -5.704 1.290 1.00 0.00 N ATOM 1667 CA LYS A 101 -10.485 -6.799 1.429 1.00 0.00 C ATOM 1668 C LYS A 101 -11.811 -6.216 1.921 1.00 0.00 C ATOM 1669 O LYS A 101 -12.826 -6.883 1.938 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.974 -7.833 2.436 1.00 0.00 C ATOM 1671 CG LYS A 101 -10.700 -9.162 2.219 1.00 0.00 C ATOM 1672 CD LYS A 101 -10.067 -10.240 3.101 1.00 0.00 C ATOM 1673 CE LYS A 101 -10.907 -10.426 4.367 1.00 0.00 C ATOM 1674 NZ LYS A 101 -11.111 -11.881 4.617 1.00 0.00 N ATOM 0 H LYS A 101 -8.812 -5.629 2.056 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.637 -7.279 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.899 -7.971 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.140 -7.478 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.757 -9.054 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.641 -9.454 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.003 -11.180 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.049 -9.955 3.366 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.407 -9.966 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.869 -9.927 4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.682 -12.009 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.605 -12.306 3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.188 -12.345 4.742 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.809 -4.975 2.318 1.00 0.00 N ATOM 1689 CA CYS A 102 -13.067 -4.342 2.807 1.00 0.00 C ATOM 1690 C CYS A 102 -13.732 -3.579 1.659 1.00 0.00 C ATOM 1691 O CYS A 102 -14.911 -3.288 1.694 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.743 -3.370 3.943 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.087 -3.385 5.154 1.00 0.00 S ATOM 0 H CYS A 102 -10.989 -4.369 2.325 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.744 -5.115 3.172 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.805 -3.653 4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.608 -2.364 3.547 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.810 -2.560 6.120 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.982 -3.252 0.643 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.561 -2.507 -0.507 1.00 0.00 C ATOM 1701 C ILE A 103 -14.120 -3.503 -1.526 1.00 0.00 C ATOM 1702 O ILE A 103 -14.899 -3.151 -2.390 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.461 -1.671 -1.156 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.959 -1.098 -2.484 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.245 -2.554 -1.416 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -14.037 -0.046 -2.218 1.00 0.00 C ATOM 0 H ILE A 103 -11.989 -3.470 0.561 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.365 -1.855 -0.164 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.190 -0.853 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.130 -0.652 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.362 -1.896 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.457 -1.961 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.884 -2.963 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.524 -3.370 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.390 0.361 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.871 -0.506 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.619 0.758 -1.611 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.732 -4.745 -1.428 1.00 0.00 N ATOM 1719 CA GLU A 104 -14.244 -5.762 -2.389 1.00 0.00 C ATOM 1720 C GLU A 104 -15.741 -5.967 -2.158 1.00 0.00 C ATOM 1721 O GLU A 104 -16.431 -6.562 -2.961 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.506 -7.085 -2.179 1.00 0.00 C ATOM 1723 CG GLU A 104 -12.032 -6.807 -1.876 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.194 -8.027 -2.265 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.497 -9.107 -1.785 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.264 -7.860 -3.036 1.00 0.00 O ATOM 0 H GLU A 104 -13.083 -5.099 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 104 -14.077 -5.416 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.959 -7.639 -1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.594 -7.708 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.695 -5.930 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.903 -6.586 -0.817 1.00 0.00 H new ATOM 1733 N GLY A 105 -16.245 -5.471 -1.066 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.698 -5.623 -0.772 1.00 0.00 C ATOM 1735 C GLY A 105 -18.352 -4.241 -0.733 1.00 0.00 C ATOM 1736 O GLY A 105 -19.520 -4.103 -0.425 1.00 0.00 O ATOM 0 H GLY A 105 -15.712 -4.964 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -18.172 -6.241 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.837 -6.131 0.182 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.607 -3.216 -1.045 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.178 -1.842 -1.029 1.00 0.00 C ATOM 1742 C LEU A 106 -18.379 -1.369 -2.465 1.00 0.00 C ATOM 1743 O LEU A 106 -17.832 -0.370 -2.890 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.217 -0.896 -0.308 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.909 -0.299 0.918 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.197 0.403 0.485 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.247 -1.418 1.907 1.00 0.00 C ATOM 0 H LEU A 106 -16.624 -3.273 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 106 -19.135 -1.848 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.319 -1.435 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.899 -0.101 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.245 0.421 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.691 0.829 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.958 1.199 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.861 -0.318 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.740 -0.994 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.911 -2.138 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -17.330 -1.920 2.216 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.163 -2.086 -3.214 1.00 0.00 N ATOM 1760 CA GLU A 107 -19.413 -1.694 -4.629 1.00 0.00 C ATOM 1761 C GLU A 107 -18.092 -1.702 -5.401 1.00 0.00 C ATOM 1762 O GLU A 107 -17.074 -2.139 -4.903 1.00 0.00 O ATOM 1763 CB GLU A 107 -20.018 -0.290 -4.670 1.00 0.00 C ATOM 1764 CG GLU A 107 -21.527 -0.379 -4.440 1.00 0.00 C ATOM 1765 CD GLU A 107 -22.108 1.031 -4.316 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -21.727 1.879 -5.107 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -22.924 1.238 -3.433 1.00 0.00 O ATOM 0 H GLU A 107 -19.645 -2.931 -2.908 1.00 0.00 H new ATOM 0 HA GLU A 107 -20.105 -2.402 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -19.559 0.338 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -19.813 0.178 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -22.001 -0.908 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -21.735 -0.950 -3.535 1.00 0.00 H new ATOM 1774 N HIS A 108 -18.100 -1.221 -6.615 1.00 0.00 N ATOM 1775 CA HIS A 108 -16.845 -1.200 -7.417 1.00 0.00 C ATOM 1776 C HIS A 108 -16.979 -0.173 -8.545 1.00 0.00 C ATOM 1777 O HIS A 108 -16.122 0.665 -8.739 1.00 0.00 O ATOM 1778 CB HIS A 108 -16.599 -2.587 -8.015 1.00 0.00 C ATOM 1779 CG HIS A 108 -15.310 -2.581 -8.789 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -14.214 -1.756 -8.738 1.00 0.00 N flip ATOM 1781 CD2 HIS A 108 -15.034 -3.519 -9.769 1.00 0.00 C flip ATOM 1782 CE1 HIS A 108 -13.270 -2.174 -9.671 1.00 0.00 C flip ATOM 1783 NE2 HIS A 108 -13.814 -3.240 -10.266 1.00 0.00 N flip ATOM 0 H HIS A 108 -18.922 -0.842 -7.085 1.00 0.00 H new ATOM 0 HA HIS A 108 -16.007 -0.928 -6.775 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -16.555 -3.334 -7.222 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -17.426 -2.864 -8.669 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -14.108 -0.958 -8.112 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -15.680 -4.327 -10.079 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -12.305 -1.732 -9.871 1.00 0.00 H new ATOM 1791 N HIS A 109 -18.049 -0.233 -9.288 1.00 0.00 N ATOM 1792 CA HIS A 109 -18.240 0.739 -10.402 1.00 0.00 C ATOM 1793 C HIS A 109 -19.733 0.865 -10.715 1.00 0.00 C ATOM 1794 O HIS A 109 -20.232 1.940 -10.982 1.00 0.00 O ATOM 1795 CB HIS A 109 -17.498 0.245 -11.645 1.00 0.00 C ATOM 1796 CG HIS A 109 -16.717 1.381 -12.248 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -16.026 2.298 -11.472 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -16.506 1.759 -13.551 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -15.439 3.174 -12.307 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -15.698 2.891 -13.586 1.00 0.00 N ATOM 0 H HIS A 109 -18.800 -0.913 -9.172 1.00 0.00 H new ATOM 0 HA HIS A 109 -17.845 1.712 -10.108 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -16.826 -0.572 -11.380 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -18.208 -0.149 -12.373 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -16.907 1.254 -14.418 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.832 4.006 -11.982 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -15.373 3.396 -14.411 1.00 0.00 H new ATOM 1808 N HIS A 110 -20.448 -0.225 -10.683 1.00 0.00 N ATOM 1809 CA HIS A 110 -21.907 -0.170 -10.978 1.00 0.00 C ATOM 1810 C HIS A 110 -22.659 0.314 -9.737 1.00 0.00 C ATOM 1811 O HIS A 110 -22.340 -0.054 -8.624 1.00 0.00 O ATOM 1812 CB HIS A 110 -22.403 -1.565 -11.363 1.00 0.00 C ATOM 1813 CG HIS A 110 -22.963 -1.534 -12.759 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -23.959 -2.404 -13.175 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -22.677 -0.745 -13.845 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -24.234 -2.120 -14.461 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -23.481 -1.116 -14.919 1.00 0.00 N ATOM 0 H HIS A 110 -20.084 -1.153 -10.465 1.00 0.00 H new ATOM 0 HA HIS A 110 -22.085 0.519 -11.804 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -21.584 -2.282 -11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -23.168 -1.897 -10.661 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -21.940 0.044 -13.863 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -24.974 -2.640 -15.051 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -23.493 -0.709 -15.854 1.00 0.00 H new ATOM 1825 N HIS A 111 -23.656 1.136 -9.919 1.00 0.00 N ATOM 1826 CA HIS A 111 -24.427 1.642 -8.750 1.00 0.00 C ATOM 1827 C HIS A 111 -25.687 0.793 -8.565 1.00 0.00 C ATOM 1828 O HIS A 111 -25.769 -0.028 -7.674 1.00 0.00 O ATOM 1829 CB HIS A 111 -24.825 3.099 -8.994 1.00 0.00 C ATOM 1830 CG HIS A 111 -23.794 4.009 -8.384 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -23.648 4.145 -7.013 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -22.854 4.836 -8.946 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -22.653 5.026 -6.797 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -22.135 5.477 -7.942 1.00 0.00 N ATOM 0 H HIS A 111 -23.969 1.479 -10.827 1.00 0.00 H new ATOM 0 HA HIS A 111 -23.811 1.579 -7.853 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -24.907 3.290 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -25.804 3.298 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -22.696 4.969 -10.006 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -22.315 5.331 -5.817 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -21.375 6.148 -8.056 1.00 0.00 H new ATOM 1842 N HIS A 112 -26.669 0.987 -9.401 1.00 0.00 N ATOM 1843 CA HIS A 112 -27.922 0.191 -9.275 1.00 0.00 C ATOM 1844 C HIS A 112 -28.705 0.262 -10.587 1.00 0.00 C ATOM 1845 O HIS A 112 -28.625 1.232 -11.316 1.00 0.00 O ATOM 1846 CB HIS A 112 -28.776 0.760 -8.140 1.00 0.00 C ATOM 1847 CG HIS A 112 -28.778 2.263 -8.220 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -29.255 3.130 -9.172 1.00 0.00 N flip ATOM 1849 CD2 HIS A 112 -28.234 3.057 -7.223 1.00 0.00 C flip ATOM 1850 CE1 HIS A 112 -29.010 4.441 -8.775 1.00 0.00 C flip ATOM 1851 NE2 HIS A 112 -28.394 4.340 -7.594 1.00 0.00 N flip ATOM 0 H HIS A 112 -26.658 1.662 -10.166 1.00 0.00 H new ATOM 0 HA HIS A 112 -27.672 -0.847 -9.056 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -29.795 0.380 -8.211 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -28.382 0.437 -7.177 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -29.718 2.855 -10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -27.767 2.709 -6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -29.263 5.346 -9.307 1.00 0.00 H new ATOM 1859 N HIS A 113 -29.462 -0.755 -10.896 1.00 0.00 N ATOM 1860 CA HIS A 113 -30.247 -0.742 -12.162 1.00 0.00 C ATOM 1861 C HIS A 113 -31.563 0.006 -11.939 1.00 0.00 C ATOM 1862 O HIS A 113 -31.770 1.011 -12.600 1.00 0.00 O ATOM 1863 CB HIS A 113 -30.544 -2.180 -12.592 1.00 0.00 C ATOM 1864 CG HIS A 113 -29.302 -2.794 -13.178 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -28.106 -2.849 -12.482 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -29.057 -3.383 -14.394 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -27.202 -3.452 -13.277 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -27.730 -3.797 -14.454 1.00 0.00 N ATOM 1869 OXT HIS A 113 -32.341 -0.438 -11.111 1.00 0.00 O ATOM 0 H HIS A 113 -29.571 -1.594 -10.326 1.00 0.00 H new ATOM 0 HA HIS A 113 -29.672 -0.241 -12.941 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -30.883 -2.764 -11.736 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -31.350 -2.193 -13.326 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -29.784 -3.506 -15.183 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -26.175 -3.634 -12.997 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -27.261 -4.264 -15.230 1.00 0.00 H new TER 1877 HIS A 113