USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -60:sc= 1.28 USER MOD Set 1.2: A 70 MET CE :methyl -162:sc= -0.0488 (180deg=-0.39) USER MOD Set 2.1: A 1 MET N :NH3+ 175:sc= 0.271 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= -1.34 K(o=-1.1,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 9 CYS SG : rot 72:sc= 0.754 USER MOD Single : A 10 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 11 TYR OH : rot 30:sc=-0.000648 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0167 K(o=-0.017,f=-1) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0888 K(o=-0.089,f=-1) USER MOD Single : A 29 HIS : no HD1:sc= -0.31 K(o=-0.31,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 38 SER OG : rot -82:sc= 0.796 USER MOD Single : A 39 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.034) USER MOD Single : A 43 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.42) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.39) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= -0.0384 (180deg=-0.256) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -44:sc= 0.0454 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 78 ASN : amide:sc= -0.0962 X(o=-0.096,f=-0.39) USER MOD Single : A 84 GLN : amide:sc= -2.49 K(o=-2.5,f=-12!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -27:sc= -3.52! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.429 -0.309 -0.561 1.00 0.00 N ATOM 2 CA MET A 1 2.120 -0.237 -1.843 1.00 0.00 C ATOM 3 C MET A 1 1.330 -0.962 -2.928 1.00 0.00 C ATOM 4 O MET A 1 0.975 -2.131 -2.774 1.00 0.00 O ATOM 5 CB MET A 1 3.521 -0.841 -1.727 1.00 0.00 C ATOM 6 CG MET A 1 4.581 -0.068 -2.494 1.00 0.00 C ATOM 7 SD MET A 1 6.009 0.350 -1.476 1.00 0.00 S ATOM 8 CE MET A 1 6.809 1.580 -2.503 1.00 0.00 C ATOM 0 H1 MET A 1 2.024 0.117 0.178 1.00 0.00 H new ATOM 0 H2 MET A 1 0.529 0.209 -0.622 1.00 0.00 H new ATOM 0 H3 MET A 1 1.241 -1.304 -0.324 1.00 0.00 H new ATOM 0 HA MET A 1 2.207 0.813 -2.121 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.804 -0.883 -0.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.496 -1.868 -2.092 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.910 -0.660 -3.348 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.142 0.847 -2.890 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.712 1.936 -2.007 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.073 1.136 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.129 2.417 -2.665 1.00 0.00 H new ATOM 18 N ASP A 2 1.057 -0.261 -4.023 1.00 0.00 N ATOM 19 CA ASP A 2 0.309 -0.839 -5.134 1.00 0.00 C ATOM 20 C ASP A 2 1.205 -1.730 -5.987 1.00 0.00 C ATOM 21 O ASP A 2 2.404 -1.485 -6.111 1.00 0.00 O ATOM 22 CB ASP A 2 -0.301 0.267 -5.996 1.00 0.00 C ATOM 23 CG ASP A 2 -1.728 -0.040 -6.408 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.100 -1.231 -6.412 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.471 0.912 -6.726 1.00 0.00 O ATOM 0 H ASP A 2 1.342 0.708 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.493 -1.451 -4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.279 1.207 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.310 0.407 -6.888 1.00 0.00 H new ATOM 30 N ASN A 3 0.615 -2.767 -6.574 1.00 0.00 N ATOM 31 CA ASN A 3 1.360 -3.696 -7.415 1.00 0.00 C ATOM 32 C ASN A 3 2.115 -2.951 -8.512 1.00 0.00 C ATOM 33 O ASN A 3 3.284 -3.234 -8.777 1.00 0.00 O ATOM 34 CB ASN A 3 0.414 -4.724 -8.039 1.00 0.00 C ATOM 35 CG ASN A 3 -0.099 -5.728 -7.025 1.00 0.00 C ATOM 36 OD1 ASN A 3 0.680 -6.442 -6.394 1.00 0.00 O ATOM 37 ND2 ASN A 3 -1.416 -5.787 -6.865 1.00 0.00 N ATOM 0 H ASN A 3 -0.377 -2.985 -6.482 1.00 0.00 H new ATOM 0 HA ASN A 3 2.085 -4.214 -6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.431 -4.207 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.933 -5.252 -8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.820 -6.444 -6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.024 -5.176 -7.410 1.00 0.00 H new ATOM 44 N ARG A 4 1.440 -1.999 -9.145 1.00 0.00 N ATOM 45 CA ARG A 4 2.046 -1.214 -10.214 1.00 0.00 C ATOM 46 C ARG A 4 3.097 -0.258 -9.657 1.00 0.00 C ATOM 47 O ARG A 4 4.165 -0.082 -10.244 1.00 0.00 O ATOM 48 CB ARG A 4 0.974 -0.426 -10.968 1.00 0.00 C ATOM 49 CG ARG A 4 -0.048 -1.306 -11.670 1.00 0.00 C ATOM 50 CD ARG A 4 -1.388 -0.601 -11.810 1.00 0.00 C ATOM 51 NE ARG A 4 -2.285 -0.906 -10.698 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.582 -0.621 -10.701 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.132 -0.029 -11.752 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.333 -0.930 -9.651 1.00 0.00 N ATOM 0 H ARG A 4 0.473 -1.752 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 4 2.534 -1.902 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.457 0.229 -10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.457 0.214 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.324 -1.581 -12.657 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.179 -2.231 -11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.228 0.476 -11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.858 -0.899 -12.747 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.894 -1.363 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.559 0.209 -12.561 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.129 0.189 -11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.914 -1.387 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.329 -0.711 -9.654 1.00 0.00 H new ATOM 68 N VAL A 5 2.787 0.358 -8.520 1.00 0.00 N ATOM 69 CA VAL A 5 3.704 1.295 -7.883 1.00 0.00 C ATOM 70 C VAL A 5 4.994 0.601 -7.460 1.00 0.00 C ATOM 71 O VAL A 5 6.082 1.162 -7.583 1.00 0.00 O ATOM 72 CB VAL A 5 3.063 1.958 -6.650 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.046 2.905 -5.981 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.788 2.689 -7.041 1.00 0.00 C ATOM 0 H VAL A 5 1.907 0.224 -8.021 1.00 0.00 H new ATOM 0 HA VAL A 5 3.934 2.063 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 5 2.803 1.178 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.575 3.364 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.929 2.349 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.340 3.682 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.348 3.152 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.021 3.459 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.079 1.981 -7.470 1.00 0.00 H new ATOM 84 N ARG A 6 4.864 -0.625 -6.962 1.00 0.00 N ATOM 85 CA ARG A 6 6.019 -1.396 -6.520 1.00 0.00 C ATOM 86 C ARG A 6 7.015 -1.585 -7.660 1.00 0.00 C ATOM 87 O ARG A 6 8.227 -1.537 -7.452 1.00 0.00 O ATOM 88 CB ARG A 6 5.574 -2.760 -5.987 1.00 0.00 C ATOM 89 CG ARG A 6 6.530 -3.355 -4.966 1.00 0.00 C ATOM 90 CD ARG A 6 5.909 -3.394 -3.578 1.00 0.00 C ATOM 91 NE ARG A 6 6.315 -4.580 -2.830 1.00 0.00 N ATOM 92 CZ ARG A 6 5.843 -5.799 -3.071 1.00 0.00 C ATOM 93 NH1 ARG A 6 4.954 -5.990 -4.036 1.00 0.00 N ATOM 94 NH2 ARG A 6 6.261 -6.829 -2.347 1.00 0.00 N ATOM 0 H ARG A 6 3.970 -1.105 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 6 6.510 -0.842 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.588 -2.660 -5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.472 -3.452 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.807 -4.364 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.447 -2.767 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.199 -2.500 -3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.823 -3.375 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 6 6.998 -4.467 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.631 -5.201 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.593 -6.926 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.945 -6.686 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.898 -7.764 -2.533 1.00 0.00 H new ATOM 108 N GLU A 7 6.495 -1.800 -8.865 1.00 0.00 N ATOM 109 CA GLU A 7 7.340 -1.996 -10.037 1.00 0.00 C ATOM 110 C GLU A 7 8.176 -0.751 -10.320 1.00 0.00 C ATOM 111 O GLU A 7 9.340 -0.847 -10.707 1.00 0.00 O ATOM 112 CB GLU A 7 6.484 -2.339 -11.258 1.00 0.00 C ATOM 113 CG GLU A 7 6.302 -3.832 -11.474 1.00 0.00 C ATOM 114 CD GLU A 7 5.067 -4.375 -10.781 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.968 -4.281 -11.365 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.202 -4.894 -9.653 1.00 0.00 O ATOM 0 H GLU A 7 5.494 -1.843 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 7 8.016 -2.826 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.504 -1.875 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.943 -1.905 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.233 -4.035 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.182 -4.359 -11.105 1.00 0.00 H new ATOM 123 N ALA A 8 7.572 0.416 -10.126 1.00 0.00 N ATOM 124 CA ALA A 8 8.259 1.680 -10.359 1.00 0.00 C ATOM 125 C ALA A 8 9.511 1.791 -9.495 1.00 0.00 C ATOM 126 O ALA A 8 10.522 2.353 -9.920 1.00 0.00 O ATOM 127 CB ALA A 8 7.323 2.848 -10.087 1.00 0.00 C ATOM 0 H ALA A 8 6.608 0.513 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 8 8.566 1.711 -11.404 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.850 3.785 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.460 2.785 -10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.987 2.812 -9.051 1.00 0.00 H new ATOM 133 N CYS A 9 9.438 1.254 -8.283 1.00 0.00 N ATOM 134 CA CYS A 9 10.565 1.295 -7.359 1.00 0.00 C ATOM 135 C CYS A 9 11.784 0.600 -7.957 1.00 0.00 C ATOM 136 O CYS A 9 12.921 1.006 -7.718 1.00 0.00 O ATOM 137 CB CYS A 9 10.188 0.636 -6.031 1.00 0.00 C ATOM 138 SG CYS A 9 11.577 0.415 -4.895 1.00 0.00 S ATOM 0 H CYS A 9 8.610 0.785 -7.917 1.00 0.00 H new ATOM 0 HA CYS A 9 10.817 2.340 -7.179 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.425 1.241 -5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.741 -0.337 -6.235 1.00 0.00 H new ATOM 0 HG CYS A 9 11.939 1.571 -4.422 1.00 0.00 H new ATOM 144 N GLN A 10 11.538 -0.450 -8.734 1.00 0.00 N ATOM 145 CA GLN A 10 12.616 -1.203 -9.364 1.00 0.00 C ATOM 146 C GLN A 10 13.356 -0.344 -10.383 1.00 0.00 C ATOM 147 O GLN A 10 14.586 -0.359 -10.445 1.00 0.00 O ATOM 148 CB GLN A 10 12.061 -2.457 -10.043 1.00 0.00 C ATOM 149 CG GLN A 10 11.456 -3.457 -9.072 1.00 0.00 C ATOM 150 CD GLN A 10 12.463 -3.977 -8.064 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.390 -3.660 -6.877 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.411 -4.779 -8.534 1.00 0.00 N ATOM 0 H GLN A 10 10.602 -0.798 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 10 13.320 -1.500 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.302 -2.162 -10.768 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.862 -2.943 -10.600 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.627 -2.987 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.042 -4.296 -9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.433 -5.016 -9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.117 -5.159 -7.903 1.00 0.00 H new ATOM 161 N TYR A 11 12.601 0.403 -11.180 1.00 0.00 N ATOM 162 CA TYR A 11 13.185 1.267 -12.198 1.00 0.00 C ATOM 163 C TYR A 11 13.917 2.444 -11.560 1.00 0.00 C ATOM 164 O TYR A 11 15.059 2.742 -11.909 1.00 0.00 O ATOM 165 CB TYR A 11 12.100 1.780 -13.146 1.00 0.00 C ATOM 166 CG TYR A 11 12.582 2.857 -14.092 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.302 2.534 -15.235 1.00 0.00 C ATOM 168 CD2 TYR A 11 12.318 4.198 -13.841 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.745 3.515 -16.102 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.755 5.185 -14.703 1.00 0.00 C ATOM 171 CZ TYR A 11 13.468 4.839 -15.832 1.00 0.00 C ATOM 172 OH TYR A 11 13.907 5.819 -16.692 1.00 0.00 O ATOM 0 H TYR A 11 11.582 0.428 -11.141 1.00 0.00 H new ATOM 0 HA TYR A 11 13.906 0.679 -12.766 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.713 0.944 -13.728 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.270 2.170 -12.557 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.519 1.498 -15.450 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.762 4.473 -12.957 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.305 3.246 -16.986 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.539 6.222 -14.494 1.00 0.00 H new ATOM 0 HH TYR A 11 13.950 5.460 -17.603 1.00 0.00 H new ATOM 182 N ILE A 12 13.249 3.109 -10.623 1.00 0.00 N ATOM 183 CA ILE A 12 13.835 4.252 -9.934 1.00 0.00 C ATOM 184 C ILE A 12 15.077 3.844 -9.150 1.00 0.00 C ATOM 185 O ILE A 12 16.084 4.552 -9.149 1.00 0.00 O ATOM 186 CB ILE A 12 12.826 4.907 -8.972 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.591 5.384 -9.740 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.476 6.066 -8.232 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.537 6.014 -8.857 1.00 0.00 C ATOM 0 H ILE A 12 12.302 2.876 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 12 14.114 4.974 -10.701 1.00 0.00 H new ATOM 0 HB ILE A 12 12.510 4.164 -8.239 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.900 6.106 -10.496 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.152 4.538 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.751 6.519 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.327 5.700 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.817 6.811 -8.951 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.691 6.328 -9.468 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.200 5.288 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.959 6.881 -8.348 1.00 0.00 H new ATOM 201 N SER A 13 15.000 2.696 -8.485 1.00 0.00 N ATOM 202 CA SER A 13 16.117 2.193 -7.695 1.00 0.00 C ATOM 203 C SER A 13 17.325 1.907 -8.582 1.00 0.00 C ATOM 204 O SER A 13 18.462 2.207 -8.218 1.00 0.00 O ATOM 205 CB SER A 13 15.709 0.924 -6.944 1.00 0.00 C ATOM 206 OG SER A 13 16.806 0.375 -6.235 1.00 0.00 O ATOM 0 H SER A 13 14.175 2.096 -8.478 1.00 0.00 H new ATOM 0 HA SER A 13 16.393 2.961 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.901 1.153 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.323 0.188 -7.650 1.00 0.00 H new ATOM 0 HG SER A 13 16.518 -0.434 -5.763 1.00 0.00 H new ATOM 212 N ASP A 14 17.069 1.324 -9.748 1.00 0.00 N ATOM 213 CA ASP A 14 18.134 0.998 -10.689 1.00 0.00 C ATOM 214 C ASP A 14 18.780 2.265 -11.240 1.00 0.00 C ATOM 215 O ASP A 14 19.965 2.275 -11.575 1.00 0.00 O ATOM 216 CB ASP A 14 17.586 0.149 -11.838 1.00 0.00 C ATOM 217 CG ASP A 14 17.816 -1.334 -11.623 1.00 0.00 C ATOM 218 OD1 ASP A 14 17.047 -1.949 -10.855 1.00 0.00 O ATOM 219 OD2 ASP A 14 18.765 -1.880 -12.224 1.00 0.00 O ATOM 0 H ASP A 14 16.134 1.068 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 14 18.894 0.427 -10.155 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.518 0.336 -11.947 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.060 0.456 -12.771 1.00 0.00 H new ATOM 224 N HIS A 15 17.993 3.332 -11.333 1.00 0.00 N ATOM 225 CA HIS A 15 18.488 4.605 -11.844 1.00 0.00 C ATOM 226 C HIS A 15 18.833 5.553 -10.699 1.00 0.00 C ATOM 227 O HIS A 15 18.951 6.764 -10.896 1.00 0.00 O ATOM 228 CB HIS A 15 17.449 5.251 -12.760 1.00 0.00 C ATOM 229 CG HIS A 15 17.368 4.616 -14.115 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.299 5.344 -15.284 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.346 3.313 -14.482 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.238 4.516 -16.312 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.265 3.278 -15.852 1.00 0.00 N ATOM 0 H HIS A 15 17.010 3.340 -11.061 1.00 0.00 H new ATOM 0 HA HIS A 15 19.394 4.410 -12.417 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.471 5.195 -12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.687 6.308 -12.877 1.00 0.00 H new ATOM 0 HD2 HIS A 15 17.385 2.460 -13.820 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.177 4.803 -17.351 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.231 2.433 -16.422 1.00 0.00 H new ATOM 241 N LEU A 16 18.992 4.996 -9.504 1.00 0.00 N ATOM 242 CA LEU A 16 19.322 5.792 -8.327 1.00 0.00 C ATOM 243 C LEU A 16 20.616 6.571 -8.541 1.00 0.00 C ATOM 244 O LEU A 16 20.837 7.610 -7.921 1.00 0.00 O ATOM 245 CB LEU A 16 19.453 4.891 -7.098 1.00 0.00 C ATOM 246 CG LEU A 16 19.620 5.605 -5.756 1.00 0.00 C ATOM 247 CD1 LEU A 16 18.333 6.317 -5.367 1.00 0.00 C ATOM 248 CD2 LEU A 16 20.034 4.618 -4.674 1.00 0.00 C ATOM 0 H LEU A 16 18.898 3.996 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 16 18.514 6.505 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.568 4.257 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.309 4.232 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 16 20.408 6.351 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 16 18.470 6.820 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.079 7.053 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.526 5.589 -5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 20.148 5.144 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 16 19.269 3.848 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.982 4.154 -4.948 1.00 0.00 H new ATOM 260 N ALA A 17 21.468 6.061 -9.425 1.00 0.00 N ATOM 261 CA ALA A 17 22.738 6.710 -9.725 1.00 0.00 C ATOM 262 C ALA A 17 22.542 7.885 -10.678 1.00 0.00 C ATOM 263 O ALA A 17 23.385 8.779 -10.757 1.00 0.00 O ATOM 264 CB ALA A 17 23.717 5.707 -10.314 1.00 0.00 C ATOM 0 H ALA A 17 21.301 5.200 -9.946 1.00 0.00 H new ATOM 0 HA ALA A 17 23.150 7.097 -8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.661 6.206 -10.533 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.889 4.903 -9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.304 5.292 -11.233 1.00 0.00 H new ATOM 270 N ASP A 18 21.428 7.875 -11.400 1.00 0.00 N ATOM 271 CA ASP A 18 21.122 8.940 -12.348 1.00 0.00 C ATOM 272 C ASP A 18 20.805 10.242 -11.619 1.00 0.00 C ATOM 273 O ASP A 18 20.340 10.229 -10.480 1.00 0.00 O ATOM 274 CB ASP A 18 19.943 8.538 -13.237 1.00 0.00 C ATOM 275 CG ASP A 18 20.030 9.145 -14.623 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.001 9.885 -14.888 1.00 0.00 O ATOM 277 OD2 ASP A 18 19.128 8.879 -15.444 1.00 0.00 O ATOM 0 H ASP A 18 20.721 7.141 -11.347 1.00 0.00 H new ATOM 0 HA ASP A 18 22.000 9.099 -12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.909 7.452 -13.321 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.012 8.851 -12.764 1.00 0.00 H new ATOM 282 N SER A 19 21.060 11.364 -12.284 1.00 0.00 N ATOM 283 CA SER A 19 20.806 12.675 -11.698 1.00 0.00 C ATOM 284 C SER A 19 19.448 13.213 -12.137 1.00 0.00 C ATOM 285 O SER A 19 18.635 13.625 -11.311 1.00 0.00 O ATOM 286 CB SER A 19 21.909 13.657 -12.096 1.00 0.00 C ATOM 287 OG SER A 19 21.687 14.934 -11.522 1.00 0.00 O ATOM 0 H SER A 19 21.442 11.392 -13.229 1.00 0.00 H new ATOM 0 HA SER A 19 20.800 12.566 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.876 13.273 -11.773 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.948 13.745 -13.182 1.00 0.00 H new ATOM 0 HG SER A 19 22.407 15.543 -11.790 1.00 0.00 H new ATOM 293 N ASN A 20 19.210 13.205 -13.444 1.00 0.00 N ATOM 294 CA ASN A 20 17.950 13.692 -13.995 1.00 0.00 C ATOM 295 C ASN A 20 16.871 12.617 -13.918 1.00 0.00 C ATOM 296 O ASN A 20 16.914 11.625 -14.646 1.00 0.00 O ATOM 297 CB ASN A 20 18.142 14.136 -15.447 1.00 0.00 C ATOM 298 CG ASN A 20 18.988 15.388 -15.561 1.00 0.00 C ATOM 299 OD1 ASN A 20 18.984 16.238 -14.671 1.00 0.00 O ATOM 300 ND2 ASN A 20 19.721 15.508 -16.663 1.00 0.00 N ATOM 0 H ASN A 20 19.873 12.867 -14.142 1.00 0.00 H new ATOM 0 HA ASN A 20 17.628 14.547 -13.400 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.612 13.331 -16.011 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.168 14.317 -15.901 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.311 16.329 -16.796 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.694 14.779 -17.375 1.00 0.00 H new ATOM 307 N PHE A 21 15.902 12.821 -13.031 1.00 0.00 N ATOM 308 CA PHE A 21 14.811 11.869 -12.859 1.00 0.00 C ATOM 309 C PHE A 21 13.730 12.083 -13.915 1.00 0.00 C ATOM 310 O PHE A 21 13.319 13.213 -14.178 1.00 0.00 O ATOM 311 CB PHE A 21 14.206 12.002 -11.460 1.00 0.00 C ATOM 312 CG PHE A 21 13.130 10.994 -11.173 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.295 9.665 -11.528 1.00 0.00 C ATOM 314 CD2 PHE A 21 11.953 11.375 -10.549 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.308 8.734 -11.265 1.00 0.00 C ATOM 316 CE2 PHE A 21 10.962 10.449 -10.283 1.00 0.00 C ATOM 317 CZ PHE A 21 11.139 9.128 -10.643 1.00 0.00 C ATOM 0 H PHE A 21 15.850 13.637 -12.421 1.00 0.00 H new ATOM 0 HA PHE A 21 15.217 10.864 -12.978 1.00 0.00 H new ATOM 0 HB2 PHE A 21 14.998 11.897 -10.719 1.00 0.00 H new ATOM 0 HB3 PHE A 21 13.793 13.004 -11.345 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.206 9.353 -12.016 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.808 12.407 -10.267 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.450 7.701 -11.545 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.050 10.759 -9.794 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.365 8.403 -10.439 1.00 0.00 H new ATOM 327 N ASP A 22 13.275 10.990 -14.516 1.00 0.00 N ATOM 328 CA ASP A 22 12.242 11.056 -15.544 1.00 0.00 C ATOM 329 C ASP A 22 10.974 10.340 -15.087 1.00 0.00 C ATOM 330 O ASP A 22 10.850 9.124 -15.233 1.00 0.00 O ATOM 331 CB ASP A 22 12.749 10.440 -16.848 1.00 0.00 C ATOM 332 CG ASP A 22 12.282 11.206 -18.070 1.00 0.00 C ATOM 333 OD1 ASP A 22 11.070 11.490 -18.165 1.00 0.00 O ATOM 334 OD2 ASP A 22 13.129 11.520 -18.933 1.00 0.00 O ATOM 0 H ASP A 22 13.605 10.047 -14.310 1.00 0.00 H new ATOM 0 HA ASP A 22 12.003 12.105 -15.717 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.839 10.413 -16.834 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.405 9.408 -16.917 1.00 0.00 H new ATOM 339 N ILE A 23 10.037 11.102 -14.533 1.00 0.00 N ATOM 340 CA ILE A 23 8.780 10.540 -14.056 1.00 0.00 C ATOM 341 C ILE A 23 7.991 9.909 -15.198 1.00 0.00 C ATOM 342 O ILE A 23 7.186 9.004 -14.983 1.00 0.00 O ATOM 343 CB ILE A 23 7.908 11.611 -13.374 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.721 10.956 -12.664 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.425 12.630 -14.395 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.311 11.666 -11.393 1.00 0.00 C ATOM 0 H ILE A 23 10.125 12.110 -14.404 1.00 0.00 H new ATOM 0 HA ILE A 23 9.035 9.771 -13.326 1.00 0.00 H new ATOM 0 HB ILE A 23 8.512 12.130 -12.630 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.871 10.928 -13.345 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.974 9.923 -12.428 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.810 13.380 -13.898 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.284 13.115 -14.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.835 12.126 -15.160 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.464 11.147 -10.943 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.147 11.671 -10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.026 12.692 -11.625 1.00 0.00 H new ATOM 358 N ALA A 24 8.230 10.392 -16.412 1.00 0.00 N ATOM 359 CA ALA A 24 7.544 9.873 -17.589 1.00 0.00 C ATOM 360 C ALA A 24 7.948 8.429 -17.867 1.00 0.00 C ATOM 361 O ALA A 24 7.105 7.588 -18.181 1.00 0.00 O ATOM 362 CB ALA A 24 7.838 10.747 -18.800 1.00 0.00 C ATOM 0 H ALA A 24 8.893 11.142 -16.607 1.00 0.00 H new ATOM 0 HA ALA A 24 6.472 9.892 -17.392 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.319 10.348 -19.672 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.494 11.763 -18.607 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.911 10.757 -18.990 1.00 0.00 H new ATOM 368 N SER A 25 9.242 8.148 -17.750 1.00 0.00 N ATOM 369 CA SER A 25 9.757 6.806 -17.993 1.00 0.00 C ATOM 370 C SER A 25 9.253 5.830 -16.934 1.00 0.00 C ATOM 371 O SER A 25 9.085 4.640 -17.200 1.00 0.00 O ATOM 372 CB SER A 25 11.287 6.819 -18.004 1.00 0.00 C ATOM 373 OG SER A 25 11.783 7.680 -19.014 1.00 0.00 O ATOM 0 H SER A 25 9.952 8.832 -17.489 1.00 0.00 H new ATOM 0 HA SER A 25 9.396 6.476 -18.967 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.658 7.143 -17.032 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.661 5.808 -18.167 1.00 0.00 H new ATOM 0 HG SER A 25 12.763 7.672 -18.999 1.00 0.00 H new ATOM 379 N VAL A 26 9.014 6.343 -15.732 1.00 0.00 N ATOM 380 CA VAL A 26 8.527 5.519 -14.632 1.00 0.00 C ATOM 381 C VAL A 26 7.098 5.054 -14.884 1.00 0.00 C ATOM 382 O VAL A 26 6.780 3.875 -14.724 1.00 0.00 O ATOM 383 CB VAL A 26 8.579 6.281 -13.294 1.00 0.00 C ATOM 384 CG1 VAL A 26 8.011 5.427 -12.171 1.00 0.00 C ATOM 385 CG2 VAL A 26 10.005 6.709 -12.980 1.00 0.00 C ATOM 0 H VAL A 26 9.150 7.326 -15.495 1.00 0.00 H new ATOM 0 HA VAL A 26 9.183 4.651 -14.573 1.00 0.00 H new ATOM 0 HB VAL A 26 7.966 7.178 -13.382 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.056 5.982 -11.234 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.974 5.175 -12.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.595 4.511 -12.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.023 7.246 -12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.642 5.828 -12.910 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.372 7.361 -13.773 1.00 0.00 H new ATOM 395 N ALA A 27 6.238 5.987 -15.280 1.00 0.00 N ATOM 396 CA ALA A 27 4.843 5.672 -15.557 1.00 0.00 C ATOM 397 C ALA A 27 4.718 4.740 -16.757 1.00 0.00 C ATOM 398 O ALA A 27 3.907 3.814 -16.753 1.00 0.00 O ATOM 399 CB ALA A 27 4.051 6.950 -15.795 1.00 0.00 C ATOM 0 H ALA A 27 6.484 6.968 -15.416 1.00 0.00 H new ATOM 0 HA ALA A 27 4.433 5.159 -14.687 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.010 6.700 -16.001 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.104 7.581 -14.908 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.471 7.485 -16.647 1.00 0.00 H new ATOM 405 N GLN A 28 5.525 4.991 -17.783 1.00 0.00 N ATOM 406 CA GLN A 28 5.503 4.173 -18.990 1.00 0.00 C ATOM 407 C GLN A 28 5.885 2.730 -18.677 1.00 0.00 C ATOM 408 O GLN A 28 5.333 1.793 -19.254 1.00 0.00 O ATOM 409 CB GLN A 28 6.456 4.749 -20.039 1.00 0.00 C ATOM 410 CG GLN A 28 6.532 3.922 -21.311 1.00 0.00 C ATOM 411 CD GLN A 28 5.177 3.728 -21.963 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.291 4.574 -21.842 1.00 0.00 O ATOM 413 NE2 GLN A 28 5.010 2.611 -22.661 1.00 0.00 N ATOM 0 H GLN A 28 6.202 5.754 -17.803 1.00 0.00 H new ATOM 0 HA GLN A 28 4.488 4.183 -19.387 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.137 5.760 -20.292 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.454 4.828 -19.607 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.204 4.409 -22.017 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.963 2.948 -21.081 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.772 1.937 -22.735 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.120 2.427 -23.123 1.00 0.00 H new ATOM 422 N HIS A 29 6.832 2.559 -17.760 1.00 0.00 N ATOM 423 CA HIS A 29 7.287 1.229 -17.370 1.00 0.00 C ATOM 424 C HIS A 29 6.126 0.389 -16.847 1.00 0.00 C ATOM 425 O HIS A 29 6.081 -0.823 -17.054 1.00 0.00 O ATOM 426 CB HIS A 29 8.378 1.333 -16.305 1.00 0.00 C ATOM 427 CG HIS A 29 8.717 0.021 -15.665 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.758 -1.168 -16.362 1.00 0.00 N ATOM 429 CD2 HIS A 29 9.034 -0.284 -14.385 1.00 0.00 C ATOM 430 CE1 HIS A 29 9.084 -2.148 -15.539 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.257 -1.638 -14.333 1.00 0.00 N ATOM 0 H HIS A 29 7.299 3.324 -17.273 1.00 0.00 H new ATOM 0 HA HIS A 29 7.697 0.739 -18.253 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.277 1.750 -16.758 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.056 2.032 -15.533 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.099 0.408 -13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.191 -3.189 -15.806 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.515 -2.165 -13.498 1.00 0.00 H new ATOM 439 N VAL A 30 5.189 1.042 -16.167 1.00 0.00 N ATOM 440 CA VAL A 30 4.027 0.356 -15.614 1.00 0.00 C ATOM 441 C VAL A 30 2.820 0.489 -16.535 1.00 0.00 C ATOM 442 O VAL A 30 1.680 0.293 -16.114 1.00 0.00 O ATOM 443 CB VAL A 30 3.660 0.906 -14.223 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.807 0.696 -13.246 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.289 2.378 -14.313 1.00 0.00 C ATOM 0 H VAL A 30 5.212 2.046 -15.986 1.00 0.00 H new ATOM 0 HA VAL A 30 4.296 -0.696 -15.522 1.00 0.00 H new ATOM 0 HB VAL A 30 2.793 0.358 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.529 1.091 -12.269 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.021 -0.369 -13.160 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.694 1.216 -13.609 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.033 2.750 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.135 2.943 -14.705 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.433 2.498 -14.978 1.00 0.00 H new ATOM 455 N CYS A 31 3.078 0.823 -17.795 1.00 0.00 N ATOM 456 CA CYS A 31 2.012 0.982 -18.778 1.00 0.00 C ATOM 457 C CYS A 31 0.927 1.918 -18.255 1.00 0.00 C ATOM 458 O CYS A 31 -0.260 1.713 -18.509 1.00 0.00 O ATOM 459 CB CYS A 31 1.405 -0.377 -19.128 1.00 0.00 C ATOM 460 SG CYS A 31 0.707 -0.467 -20.793 1.00 0.00 S ATOM 0 H CYS A 31 4.016 0.989 -18.160 1.00 0.00 H new ATOM 0 HA CYS A 31 2.443 1.421 -19.678 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.173 -1.143 -19.026 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.624 -0.611 -18.405 1.00 0.00 H new ATOM 0 HG CYS A 31 0.220 -1.655 -20.996 1.00 0.00 H new ATOM 466 N LEU A 32 1.342 2.946 -17.523 1.00 0.00 N ATOM 467 CA LEU A 32 0.406 3.914 -16.963 1.00 0.00 C ATOM 468 C LEU A 32 0.922 5.338 -17.142 1.00 0.00 C ATOM 469 O LEU A 32 2.102 5.551 -17.421 1.00 0.00 O ATOM 470 CB LEU A 32 0.172 3.627 -15.479 1.00 0.00 C ATOM 471 CG LEU A 32 -1.048 4.300 -14.849 1.00 0.00 C ATOM 472 CD1 LEU A 32 -2.315 3.916 -15.596 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.161 3.930 -13.377 1.00 0.00 C ATOM 0 H LEU A 32 2.321 3.131 -17.303 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.539 3.820 -17.499 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.075 2.549 -15.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.059 3.936 -14.926 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.921 5.380 -14.923 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.172 4.404 -15.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.234 4.233 -16.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.448 2.835 -15.555 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.035 4.418 -12.945 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.264 2.849 -13.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.265 4.257 -12.850 1.00 0.00 H new ATOM 485 N SER A 33 0.031 6.311 -16.976 1.00 0.00 N ATOM 486 CA SER A 33 0.397 7.715 -17.121 1.00 0.00 C ATOM 487 C SER A 33 1.052 8.240 -15.847 1.00 0.00 C ATOM 488 O SER A 33 0.903 7.674 -14.763 1.00 0.00 O ATOM 489 CB SER A 33 -0.839 8.553 -17.455 1.00 0.00 C ATOM 490 OG SER A 33 -1.044 8.623 -18.855 1.00 0.00 O ATOM 0 H SER A 33 -0.949 6.153 -16.741 1.00 0.00 H new ATOM 0 HA SER A 33 1.115 7.796 -17.937 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.717 8.118 -16.977 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.721 9.558 -17.051 1.00 0.00 H new ATOM 0 HG SER A 33 -1.840 9.162 -19.042 1.00 0.00 H new ATOM 496 N PRO A 34 1.796 9.348 -15.979 1.00 0.00 N ATOM 497 CA PRO A 34 2.490 9.974 -14.849 1.00 0.00 C ATOM 498 C PRO A 34 1.523 10.622 -13.863 1.00 0.00 C ATOM 499 O PRO A 34 1.753 10.608 -12.654 1.00 0.00 O ATOM 500 CB PRO A 34 3.366 11.038 -15.517 1.00 0.00 C ATOM 501 CG PRO A 34 2.669 11.355 -16.795 1.00 0.00 C ATOM 502 CD PRO A 34 2.018 10.074 -17.240 1.00 0.00 C ATOM 0 HA PRO A 34 3.051 9.248 -14.261 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.462 11.923 -14.888 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.374 10.664 -15.698 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.927 12.140 -16.651 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.373 11.716 -17.545 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.082 10.261 -17.766 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.659 9.512 -17.919 1.00 0.00 H new ATOM 510 N SER A 35 0.442 11.190 -14.388 1.00 0.00 N ATOM 511 CA SER A 35 -0.557 11.847 -13.554 1.00 0.00 C ATOM 512 C SER A 35 -1.289 10.831 -12.681 1.00 0.00 C ATOM 513 O SER A 35 -1.471 11.043 -11.482 1.00 0.00 O ATOM 514 CB SER A 35 -1.561 12.605 -14.424 1.00 0.00 C ATOM 515 OG SER A 35 -1.852 11.886 -15.611 1.00 0.00 O ATOM 0 H SER A 35 0.236 11.208 -15.387 1.00 0.00 H new ATOM 0 HA SER A 35 -0.043 12.555 -12.905 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.480 12.773 -13.862 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.159 13.586 -14.678 1.00 0.00 H new ATOM 0 HG SER A 35 -2.497 12.390 -16.149 1.00 0.00 H new ATOM 521 N ARG A 36 -1.706 9.727 -13.293 1.00 0.00 N ATOM 522 CA ARG A 36 -2.419 8.678 -12.574 1.00 0.00 C ATOM 523 C ARG A 36 -1.477 7.921 -11.643 1.00 0.00 C ATOM 524 O ARG A 36 -1.853 7.548 -10.530 1.00 0.00 O ATOM 525 CB ARG A 36 -3.070 7.706 -13.560 1.00 0.00 C ATOM 526 CG ARG A 36 -4.308 7.018 -13.009 1.00 0.00 C ATOM 527 CD ARG A 36 -5.576 7.770 -13.382 1.00 0.00 C ATOM 528 NE ARG A 36 -5.800 7.784 -14.825 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.257 6.740 -15.508 1.00 0.00 C ATOM 530 NH1 ARG A 36 -6.537 5.606 -14.882 1.00 0.00 N ATOM 531 NH2 ARG A 36 -6.435 6.831 -16.820 1.00 0.00 N ATOM 0 H ARG A 36 -1.562 9.536 -14.285 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.196 9.148 -11.972 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.339 8.247 -14.467 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.340 6.948 -13.846 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.361 6.000 -13.394 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.233 6.945 -11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.430 7.308 -12.887 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.511 8.794 -13.015 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.594 8.642 -15.337 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.402 5.533 -13.874 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.888 4.806 -15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.221 7.703 -17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.786 6.029 -17.344 1.00 0.00 H new ATOM 545 N LEU A 37 -0.252 7.695 -12.105 1.00 0.00 N ATOM 546 CA LEU A 37 0.744 6.982 -11.313 1.00 0.00 C ATOM 547 C LEU A 37 1.197 7.820 -10.123 1.00 0.00 C ATOM 548 O LEU A 37 1.297 7.322 -9.001 1.00 0.00 O ATOM 549 CB LEU A 37 1.949 6.618 -12.183 1.00 0.00 C ATOM 550 CG LEU A 37 3.190 6.126 -11.437 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.533 4.703 -11.852 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.368 7.056 -11.691 1.00 0.00 C ATOM 0 H LEU A 37 0.075 7.995 -13.023 1.00 0.00 H new ATOM 0 HA LEU A 37 0.285 6.068 -10.935 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.643 5.845 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.226 7.494 -12.770 1.00 0.00 H new ATOM 0 HG LEU A 37 2.974 6.129 -10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.419 4.370 -11.311 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.696 4.044 -11.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.730 4.674 -12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.243 6.691 -11.153 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.585 7.085 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.121 8.059 -11.344 1.00 0.00 H new ATOM 564 N SER A 38 1.467 9.097 -10.373 1.00 0.00 N ATOM 565 CA SER A 38 1.910 10.006 -9.322 1.00 0.00 C ATOM 566 C SER A 38 0.857 10.120 -8.224 1.00 0.00 C ATOM 567 O SER A 38 1.182 10.138 -7.036 1.00 0.00 O ATOM 568 CB SER A 38 2.208 11.388 -9.906 1.00 0.00 C ATOM 569 OG SER A 38 1.040 11.970 -10.459 1.00 0.00 O ATOM 0 H SER A 38 1.387 9.526 -11.295 1.00 0.00 H new ATOM 0 HA SER A 38 2.823 9.601 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.608 12.037 -9.127 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.975 11.304 -10.675 1.00 0.00 H new ATOM 0 HG SER A 38 0.891 11.613 -11.359 1.00 0.00 H new ATOM 575 N HIS A 39 -0.406 10.198 -8.630 1.00 0.00 N ATOM 576 CA HIS A 39 -1.508 10.311 -7.681 1.00 0.00 C ATOM 577 C HIS A 39 -1.536 9.114 -6.736 1.00 0.00 C ATOM 578 O HIS A 39 -1.643 9.272 -5.519 1.00 0.00 O ATOM 579 CB HIS A 39 -2.840 10.421 -8.425 1.00 0.00 C ATOM 580 CG HIS A 39 -4.020 10.588 -7.518 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.666 11.793 -7.337 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.672 9.693 -6.740 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.663 11.632 -6.486 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.689 10.367 -6.109 1.00 0.00 N ATOM 0 H HIS A 39 -0.692 10.185 -9.609 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.355 11.214 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.796 11.268 -9.110 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.982 9.527 -9.032 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.437 8.644 -6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.342 12.404 -6.155 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.356 9.957 -5.455 1.00 0.00 H new ATOM 592 N LEU A 40 -1.441 7.916 -7.304 1.00 0.00 N ATOM 593 CA LEU A 40 -1.456 6.691 -6.512 1.00 0.00 C ATOM 594 C LEU A 40 -0.158 6.534 -5.726 1.00 0.00 C ATOM 595 O LEU A 40 -0.147 5.969 -4.632 1.00 0.00 O ATOM 596 CB LEU A 40 -1.666 5.477 -7.419 1.00 0.00 C ATOM 597 CG LEU A 40 -2.958 5.466 -8.237 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.068 4.182 -9.044 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.167 5.631 -7.327 1.00 0.00 C ATOM 0 H LEU A 40 -1.353 7.767 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.282 6.756 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.823 5.413 -8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.643 4.579 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.933 6.306 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.994 4.192 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.219 4.105 -9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.070 3.327 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.077 5.621 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.196 4.812 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.094 6.579 -6.794 1.00 0.00 H new ATOM 611 N PHE A 41 0.934 7.040 -6.290 1.00 0.00 N ATOM 612 CA PHE A 41 2.237 6.958 -5.641 1.00 0.00 C ATOM 613 C PHE A 41 2.216 7.660 -4.286 1.00 0.00 C ATOM 614 O PHE A 41 2.644 7.099 -3.278 1.00 0.00 O ATOM 615 CB PHE A 41 3.314 7.579 -6.533 1.00 0.00 C ATOM 616 CG PHE A 41 4.589 6.786 -6.573 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.592 7.014 -5.644 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.785 5.812 -7.539 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.767 6.287 -5.679 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.958 5.081 -7.579 1.00 0.00 C ATOM 621 CZ PHE A 41 6.949 5.318 -6.647 1.00 0.00 C ATOM 0 H PHE A 41 0.942 7.511 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 41 2.469 5.905 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.924 7.676 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.533 8.586 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.454 7.769 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.012 5.622 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.542 6.476 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.099 4.326 -8.338 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.865 4.747 -6.675 1.00 0.00 H new ATOM 631 N ARG A 42 1.715 8.891 -4.272 1.00 0.00 N ATOM 632 CA ARG A 42 1.640 9.671 -3.043 1.00 0.00 C ATOM 633 C ARG A 42 0.618 9.072 -2.081 1.00 0.00 C ATOM 634 O ARG A 42 0.721 9.243 -0.867 1.00 0.00 O ATOM 635 CB ARG A 42 1.271 11.122 -3.356 1.00 0.00 C ATOM 636 CG ARG A 42 2.186 12.140 -2.695 1.00 0.00 C ATOM 637 CD ARG A 42 1.432 13.406 -2.319 1.00 0.00 C ATOM 638 NE ARG A 42 2.336 14.515 -2.028 1.00 0.00 N ATOM 639 CZ ARG A 42 1.926 15.760 -1.813 1.00 0.00 C ATOM 640 NH1 ARG A 42 0.633 16.053 -1.858 1.00 0.00 N ATOM 641 NH2 ARG A 42 2.809 16.716 -1.554 1.00 0.00 N ATOM 0 H ARG A 42 1.355 9.369 -5.098 1.00 0.00 H new ATOM 0 HA ARG A 42 2.620 9.647 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.297 11.270 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.246 11.305 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.633 11.703 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.003 12.389 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.765 13.686 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.806 13.210 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 42 3.337 14.323 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.049 15.321 -2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.321 17.010 -1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.804 16.495 -1.520 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.492 17.672 -1.389 1.00 0.00 H new ATOM 655 N GLN A 43 -0.366 8.370 -2.633 1.00 0.00 N ATOM 656 CA GLN A 43 -1.407 7.747 -1.824 1.00 0.00 C ATOM 657 C GLN A 43 -0.899 6.460 -1.182 1.00 0.00 C ATOM 658 O GLN A 43 -1.204 6.171 -0.025 1.00 0.00 O ATOM 659 CB GLN A 43 -2.640 7.452 -2.679 1.00 0.00 C ATOM 660 CG GLN A 43 -3.897 7.192 -1.865 1.00 0.00 C ATOM 661 CD GLN A 43 -4.017 5.748 -1.422 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.975 5.447 -0.229 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.168 4.844 -2.383 1.00 0.00 N ATOM 0 H GLN A 43 -0.464 8.218 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.682 8.444 -1.032 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.818 8.294 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.438 6.584 -3.306 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.897 7.838 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.771 7.460 -2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.198 5.138 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.254 3.856 -2.145 1.00 0.00 H new ATOM 672 N GLN A 44 -0.125 5.691 -1.940 1.00 0.00 N ATOM 673 CA GLN A 44 0.424 4.435 -1.444 1.00 0.00 C ATOM 674 C GLN A 44 1.670 4.680 -0.600 1.00 0.00 C ATOM 675 O GLN A 44 1.876 4.030 0.426 1.00 0.00 O ATOM 676 CB GLN A 44 0.759 3.504 -2.611 1.00 0.00 C ATOM 677 CG GLN A 44 -0.455 3.090 -3.427 1.00 0.00 C ATOM 678 CD GLN A 44 -1.107 1.826 -2.903 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.794 1.361 -1.807 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.020 1.262 -3.685 1.00 0.00 N ATOM 0 H GLN A 44 0.136 5.916 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.330 3.962 -0.816 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.475 4.000 -3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.248 2.610 -2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.185 3.900 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.156 2.937 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.249 1.681 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.492 0.409 -3.384 1.00 0.00 H new ATOM 689 N LEU A 45 2.499 5.621 -1.038 1.00 0.00 N ATOM 690 CA LEU A 45 3.727 5.952 -0.323 1.00 0.00 C ATOM 691 C LEU A 45 3.472 7.030 0.725 1.00 0.00 C ATOM 692 O LEU A 45 4.283 7.237 1.627 1.00 0.00 O ATOM 693 CB LEU A 45 4.801 6.423 -1.305 1.00 0.00 C ATOM 694 CG LEU A 45 6.159 5.727 -1.199 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.895 5.789 -2.528 1.00 0.00 C ATOM 696 CD2 LEU A 45 6.995 6.355 -0.093 1.00 0.00 C ATOM 0 H LEU A 45 2.343 6.168 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 45 4.077 5.053 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.423 6.287 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.951 7.493 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 45 5.991 4.679 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.859 5.289 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.302 5.292 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.052 6.830 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.958 5.847 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.155 7.411 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.472 6.257 0.858 1.00 0.00 H new ATOM 708 N GLY A 46 2.338 7.713 0.601 1.00 0.00 N ATOM 709 CA GLY A 46 1.995 8.761 1.546 1.00 0.00 C ATOM 710 C GLY A 46 2.923 9.955 1.448 1.00 0.00 C ATOM 711 O GLY A 46 2.878 10.854 2.289 1.00 0.00 O ATOM 0 H GLY A 46 1.651 7.560 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.970 9.086 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.031 8.359 2.559 1.00 0.00 H new ATOM 715 N ILE A 47 3.767 9.965 0.422 1.00 0.00 N ATOM 716 CA ILE A 47 4.710 11.058 0.219 1.00 0.00 C ATOM 717 C ILE A 47 5.003 11.263 -1.263 1.00 0.00 C ATOM 718 O ILE A 47 4.609 10.453 -2.102 1.00 0.00 O ATOM 719 CB ILE A 47 6.034 10.805 0.963 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.773 9.617 0.344 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.773 10.561 2.442 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.083 9.296 1.029 1.00 0.00 C ATOM 0 H ILE A 47 3.817 9.228 -0.282 1.00 0.00 H new ATOM 0 HA ILE A 47 4.243 11.957 0.622 1.00 0.00 H new ATOM 0 HB ILE A 47 6.662 11.690 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.128 8.739 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.965 9.827 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.719 10.384 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.285 11.434 2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.128 9.690 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.551 8.443 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.746 10.159 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.897 9.054 2.075 1.00 0.00 H new ATOM 734 N SER A 48 5.699 12.351 -1.578 1.00 0.00 N ATOM 735 CA SER A 48 6.044 12.664 -2.960 1.00 0.00 C ATOM 736 C SER A 48 7.205 11.798 -3.439 1.00 0.00 C ATOM 737 O SER A 48 8.085 11.432 -2.660 1.00 0.00 O ATOM 738 CB SER A 48 6.408 14.144 -3.094 1.00 0.00 C ATOM 739 OG SER A 48 5.245 14.948 -3.189 1.00 0.00 O ATOM 0 H SER A 48 6.035 13.030 -0.895 1.00 0.00 H new ATOM 0 HA SER A 48 5.175 12.453 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.000 14.456 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.029 14.291 -3.978 1.00 0.00 H new ATOM 0 HG SER A 48 5.504 15.889 -3.272 1.00 0.00 H new ATOM 745 N VAL A 49 7.200 11.473 -4.728 1.00 0.00 N ATOM 746 CA VAL A 49 8.252 10.651 -5.313 1.00 0.00 C ATOM 747 C VAL A 49 9.631 11.235 -5.026 1.00 0.00 C ATOM 748 O VAL A 49 10.575 10.506 -4.718 1.00 0.00 O ATOM 749 CB VAL A 49 8.074 10.512 -6.837 1.00 0.00 C ATOM 750 CG1 VAL A 49 6.858 9.655 -7.156 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.955 11.882 -7.486 1.00 0.00 C ATOM 0 H VAL A 49 6.479 11.767 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 49 8.175 9.666 -4.853 1.00 0.00 H new ATOM 0 HB VAL A 49 8.955 10.017 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.748 9.568 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.988 8.663 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.965 10.119 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.830 11.765 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.092 12.406 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.858 12.459 -7.286 1.00 0.00 H new ATOM 761 N LEU A 50 9.740 12.555 -5.127 1.00 0.00 N ATOM 762 CA LEU A 50 11.004 13.240 -4.877 1.00 0.00 C ATOM 763 C LEU A 50 11.461 13.031 -3.437 1.00 0.00 C ATOM 764 O LEU A 50 12.655 12.914 -3.165 1.00 0.00 O ATOM 765 CB LEU A 50 10.863 14.735 -5.168 1.00 0.00 C ATOM 766 CG LEU A 50 10.325 15.102 -6.551 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.299 16.612 -6.731 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.162 14.447 -7.640 1.00 0.00 C ATOM 0 H LEU A 50 8.969 13.173 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 50 11.756 12.816 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.204 15.170 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.840 15.202 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 50 9.304 14.730 -6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.913 16.854 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.656 17.058 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.309 17.008 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.764 14.719 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.194 14.788 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.128 13.364 -7.523 1.00 0.00 H new ATOM 780 N SER A 51 10.501 12.984 -2.518 1.00 0.00 N ATOM 781 CA SER A 51 10.805 12.790 -1.105 1.00 0.00 C ATOM 782 C SER A 51 11.232 11.351 -0.833 1.00 0.00 C ATOM 783 O SER A 51 12.198 11.105 -0.111 1.00 0.00 O ATOM 784 CB SER A 51 9.588 13.144 -0.247 1.00 0.00 C ATOM 785 OG SER A 51 9.939 13.234 1.123 1.00 0.00 O ATOM 0 H SER A 51 9.507 13.078 -2.727 1.00 0.00 H new ATOM 0 HA SER A 51 11.631 13.451 -0.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.167 14.092 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.814 12.388 -0.378 1.00 0.00 H new ATOM 0 HG SER A 51 9.145 13.463 1.650 1.00 0.00 H new ATOM 791 N TRP A 52 10.505 10.405 -1.416 1.00 0.00 N ATOM 792 CA TRP A 52 10.807 8.990 -1.237 1.00 0.00 C ATOM 793 C TRP A 52 12.222 8.671 -1.708 1.00 0.00 C ATOM 794 O TRP A 52 12.959 7.945 -1.041 1.00 0.00 O ATOM 795 CB TRP A 52 9.797 8.131 -2.000 1.00 0.00 C ATOM 796 CG TRP A 52 10.137 6.671 -1.998 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.032 5.807 -0.945 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.638 5.906 -3.099 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.438 4.551 -1.326 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.814 4.585 -2.642 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.954 6.207 -4.426 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.291 3.570 -3.467 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.428 5.199 -5.244 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.593 3.893 -4.762 1.00 0.00 C ATOM 0 H TRP A 52 9.702 10.592 -2.017 1.00 0.00 H new ATOM 0 HA TRP A 52 10.738 8.762 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.809 8.267 -1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.738 8.482 -3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.682 6.072 0.042 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.456 3.727 -0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.830 7.210 -4.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.418 2.563 -3.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.675 5.421 -6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.966 3.127 -5.426 1.00 0.00 H new ATOM 815 N ARG A 53 12.595 9.220 -2.859 1.00 0.00 N ATOM 816 CA ARG A 53 13.922 8.993 -3.419 1.00 0.00 C ATOM 817 C ARG A 53 15.005 9.510 -2.476 1.00 0.00 C ATOM 818 O ARG A 53 15.999 8.829 -2.226 1.00 0.00 O ATOM 819 CB ARG A 53 14.048 9.677 -4.781 1.00 0.00 C ATOM 820 CG ARG A 53 15.377 9.418 -5.472 1.00 0.00 C ATOM 821 CD ARG A 53 15.250 8.343 -6.540 1.00 0.00 C ATOM 822 NE ARG A 53 16.431 8.280 -7.397 1.00 0.00 N ATOM 823 CZ ARG A 53 16.642 9.102 -8.419 1.00 0.00 C ATOM 824 NH1 ARG A 53 15.756 10.045 -8.710 1.00 0.00 N ATOM 825 NH2 ARG A 53 17.741 8.982 -9.153 1.00 0.00 N ATOM 0 H ARG A 53 11.997 9.825 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 53 14.057 7.919 -3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.240 9.334 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.919 10.752 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.739 10.341 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.119 9.113 -4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.096 7.375 -6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.369 8.541 -7.151 1.00 0.00 H new ATOM 0 HE ARG A 53 17.132 7.566 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.910 10.141 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.921 10.675 -9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.425 8.258 -8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.902 9.614 -9.937 1.00 0.00 H new ATOM 839 N GLU A 54 14.805 10.718 -1.958 1.00 0.00 N ATOM 840 CA GLU A 54 15.766 11.325 -1.045 1.00 0.00 C ATOM 841 C GLU A 54 15.837 10.547 0.266 1.00 0.00 C ATOM 842 O GLU A 54 16.921 10.300 0.796 1.00 0.00 O ATOM 843 CB GLU A 54 15.387 12.781 -0.766 1.00 0.00 C ATOM 844 CG GLU A 54 16.564 13.646 -0.345 1.00 0.00 C ATOM 845 CD GLU A 54 16.255 15.128 -0.421 1.00 0.00 C ATOM 846 OE1 GLU A 54 15.551 15.540 -1.367 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.717 15.877 0.465 1.00 0.00 O ATOM 0 H GLU A 54 13.987 11.295 -2.155 1.00 0.00 H new ATOM 0 HA GLU A 54 16.747 11.296 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 54 14.935 13.208 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.629 12.807 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.851 13.390 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.420 13.424 -0.983 1.00 0.00 H new ATOM 854 N ASP A 55 14.675 10.163 0.784 1.00 0.00 N ATOM 855 CA ASP A 55 14.604 9.413 2.032 1.00 0.00 C ATOM 856 C ASP A 55 15.376 8.101 1.922 1.00 0.00 C ATOM 857 O ASP A 55 16.138 7.742 2.819 1.00 0.00 O ATOM 858 CB ASP A 55 13.147 9.132 2.401 1.00 0.00 C ATOM 859 CG ASP A 55 12.915 9.154 3.899 1.00 0.00 C ATOM 860 OD1 ASP A 55 12.783 10.261 4.463 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.864 8.065 4.507 1.00 0.00 O ATOM 0 H ASP A 55 13.769 10.359 0.358 1.00 0.00 H new ATOM 0 HA ASP A 55 15.059 10.017 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.505 9.874 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.856 8.159 2.005 1.00 0.00 H new ATOM 866 N GLN A 56 15.172 7.392 0.817 1.00 0.00 N ATOM 867 CA GLN A 56 15.847 6.119 0.591 1.00 0.00 C ATOM 868 C GLN A 56 17.336 6.331 0.336 1.00 0.00 C ATOM 869 O GLN A 56 18.166 5.513 0.734 1.00 0.00 O ATOM 870 CB GLN A 56 15.214 5.384 -0.592 1.00 0.00 C ATOM 871 CG GLN A 56 13.908 4.688 -0.247 1.00 0.00 C ATOM 872 CD GLN A 56 14.082 3.606 0.801 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.862 3.837 1.991 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.480 2.417 0.365 1.00 0.00 N ATOM 0 H GLN A 56 14.545 7.677 0.064 1.00 0.00 H new ATOM 0 HA GLN A 56 15.733 5.512 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.035 6.096 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.921 4.646 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.192 5.426 0.114 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.485 4.249 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.651 2.270 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.615 1.651 1.025 1.00 0.00 H new ATOM 883 N ARG A 57 17.666 7.432 -0.330 1.00 0.00 N ATOM 884 CA ARG A 57 19.055 7.750 -0.640 1.00 0.00 C ATOM 885 C ARG A 57 19.891 7.833 0.634 1.00 0.00 C ATOM 886 O ARG A 57 21.014 7.331 0.684 1.00 0.00 O ATOM 887 CB ARG A 57 19.139 9.072 -1.405 1.00 0.00 C ATOM 888 CG ARG A 57 18.989 8.916 -2.909 1.00 0.00 C ATOM 889 CD ARG A 57 18.802 10.262 -3.593 1.00 0.00 C ATOM 890 NE ARG A 57 19.161 10.211 -5.008 1.00 0.00 N ATOM 891 CZ ARG A 57 19.188 11.279 -5.797 1.00 0.00 C ATOM 892 NH1 ARG A 57 18.880 12.474 -5.313 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.525 11.153 -7.075 1.00 0.00 N ATOM 0 H ARG A 57 16.991 8.119 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 57 19.454 6.951 -1.264 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.363 9.744 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.097 9.545 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.871 8.420 -3.314 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.135 8.275 -3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.764 10.578 -3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.413 11.012 -3.091 1.00 0.00 H new ATOM 0 HE ARG A 57 19.404 9.306 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.621 12.576 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.902 13.292 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.763 10.235 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.545 11.974 -7.680 1.00 0.00 H new ATOM 907 N ILE A 58 19.335 8.470 1.659 1.00 0.00 N ATOM 908 CA ILE A 58 20.029 8.617 2.933 1.00 0.00 C ATOM 909 C ILE A 58 20.088 7.292 3.684 1.00 0.00 C ATOM 910 O ILE A 58 21.133 6.910 4.209 1.00 0.00 O ATOM 911 CB ILE A 58 19.348 9.671 3.826 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.316 11.027 3.118 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.071 9.781 5.160 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.689 11.607 2.860 1.00 0.00 C ATOM 0 H ILE A 58 18.407 8.892 1.633 1.00 0.00 H new ATOM 0 HA ILE A 58 21.042 8.946 2.704 1.00 0.00 H new ATOM 0 HB ILE A 58 18.322 9.357 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.792 10.920 2.168 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.741 11.729 3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.578 10.530 5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.047 8.817 5.667 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.106 10.076 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.589 12.568 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.209 11.747 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.260 10.925 2.230 1.00 0.00 H new ATOM 926 N SER A 59 18.958 6.593 3.729 1.00 0.00 N ATOM 927 CA SER A 59 18.880 5.310 4.418 1.00 0.00 C ATOM 928 C SER A 59 19.851 4.305 3.806 1.00 0.00 C ATOM 929 O SER A 59 20.482 3.524 4.518 1.00 0.00 O ATOM 930 CB SER A 59 17.453 4.760 4.356 1.00 0.00 C ATOM 931 OG SER A 59 17.272 3.707 5.286 1.00 0.00 O ATOM 0 H SER A 59 18.084 6.893 3.297 1.00 0.00 H new ATOM 0 HA SER A 59 19.156 5.468 5.460 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.742 5.560 4.564 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.242 4.400 3.349 1.00 0.00 H new ATOM 0 HG SER A 59 16.352 3.374 5.228 1.00 0.00 H new ATOM 937 N GLN A 60 19.965 4.332 2.482 1.00 0.00 N ATOM 938 CA GLN A 60 20.858 3.423 1.774 1.00 0.00 C ATOM 939 C GLN A 60 22.317 3.808 2.000 1.00 0.00 C ATOM 940 O GLN A 60 23.163 2.950 2.251 1.00 0.00 O ATOM 941 CB GLN A 60 20.544 3.428 0.277 1.00 0.00 C ATOM 942 CG GLN A 60 20.841 2.106 -0.412 1.00 0.00 C ATOM 943 CD GLN A 60 19.722 1.097 -0.246 1.00 0.00 C ATOM 944 OE1 GLN A 60 18.706 1.159 -0.939 1.00 0.00 O ATOM 945 NE2 GLN A 60 19.903 0.158 0.676 1.00 0.00 N ATOM 0 H GLN A 60 19.450 4.973 1.878 1.00 0.00 H new ATOM 0 HA GLN A 60 20.700 2.419 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.491 3.673 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.122 4.217 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.010 2.284 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN A 60 21.764 1.689 -0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 60 20.761 0.144 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 60 19.184 -0.549 0.832 1.00 0.00 H new ATOM 954 N ALA A 61 22.603 5.102 1.910 1.00 0.00 N ATOM 955 CA ALA A 61 23.959 5.600 2.106 1.00 0.00 C ATOM 956 C ALA A 61 24.453 5.306 3.519 1.00 0.00 C ATOM 957 O ALA A 61 25.573 4.834 3.710 1.00 0.00 O ATOM 958 CB ALA A 61 24.018 7.094 1.825 1.00 0.00 C ATOM 0 H ALA A 61 21.914 5.825 1.703 1.00 0.00 H new ATOM 0 HA ALA A 61 24.614 5.083 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.036 7.453 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 61 23.715 7.283 0.795 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.345 7.619 2.503 1.00 0.00 H new ATOM 964 N LYS A 62 23.609 5.588 4.506 1.00 0.00 N ATOM 965 CA LYS A 62 23.959 5.354 5.902 1.00 0.00 C ATOM 966 C LYS A 62 24.068 3.860 6.192 1.00 0.00 C ATOM 967 O LYS A 62 24.879 3.435 7.016 1.00 0.00 O ATOM 968 CB LYS A 62 22.915 5.988 6.824 1.00 0.00 C ATOM 969 CG LYS A 62 21.580 5.263 6.821 1.00 0.00 C ATOM 970 CD LYS A 62 20.583 5.926 7.757 1.00 0.00 C ATOM 971 CE LYS A 62 21.083 5.929 9.193 1.00 0.00 C ATOM 972 NZ LYS A 62 21.376 4.553 9.681 1.00 0.00 N ATOM 0 H LYS A 62 22.678 5.979 4.365 1.00 0.00 H new ATOM 0 HA LYS A 62 24.929 5.815 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.306 6.008 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.757 7.024 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.176 5.248 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.728 4.226 7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.403 6.950 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 62 19.629 5.402 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.984 6.539 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.335 6.391 9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.500 4.570 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.586 3.923 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.248 4.204 9.234 1.00 0.00 H new ATOM 986 N LEU A 63 23.249 3.068 5.510 1.00 0.00 N ATOM 987 CA LEU A 63 23.255 1.621 5.693 1.00 0.00 C ATOM 988 C LEU A 63 24.611 1.031 5.322 1.00 0.00 C ATOM 989 O LEU A 63 25.196 0.261 6.086 1.00 0.00 O ATOM 990 CB LEU A 63 22.156 0.976 4.846 1.00 0.00 C ATOM 991 CG LEU A 63 22.012 -0.541 4.977 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.562 -0.958 4.785 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.910 -1.250 3.974 1.00 0.00 C ATOM 0 H LEU A 63 22.572 3.403 4.825 1.00 0.00 H new ATOM 0 HA LEU A 63 23.064 1.412 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.204 1.436 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.345 1.214 3.799 1.00 0.00 H new ATOM 0 HG LEU A 63 22.322 -0.831 5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.479 -2.041 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.942 -0.477 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.225 -0.655 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.795 -2.329 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.631 -0.954 2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.949 -0.976 4.158 1.00 0.00 H new ATOM 1005 N LEU A 64 25.109 1.398 4.146 1.00 0.00 N ATOM 1006 CA LEU A 64 26.398 0.906 3.673 1.00 0.00 C ATOM 1007 C LEU A 64 27.541 1.505 4.488 1.00 0.00 C ATOM 1008 O LEU A 64 28.505 0.816 4.825 1.00 0.00 O ATOM 1009 CB LEU A 64 26.583 1.242 2.192 1.00 0.00 C ATOM 1010 CG LEU A 64 25.440 0.832 1.264 1.00 0.00 C ATOM 1011 CD1 LEU A 64 25.083 1.971 0.321 1.00 0.00 C ATOM 1012 CD2 LEU A 64 25.813 -0.417 0.478 1.00 0.00 C ATOM 0 H LEU A 64 24.639 2.035 3.502 1.00 0.00 H new ATOM 0 HA LEU A 64 26.414 -0.177 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 64 26.731 2.318 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 64 27.498 0.763 1.843 1.00 0.00 H new ATOM 0 HG LEU A 64 24.566 0.605 1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.267 1.661 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 24.773 2.840 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 64 25.953 2.230 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 64 24.987 -0.694 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.701 -0.218 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.018 -1.234 1.169 1.00 0.00 H new ATOM 1024 N LEU A 65 27.425 2.790 4.804 1.00 0.00 N ATOM 1025 CA LEU A 65 28.446 3.482 5.583 1.00 0.00 C ATOM 1026 C LEU A 65 28.563 2.885 6.981 1.00 0.00 C ATOM 1027 O LEU A 65 29.610 2.978 7.622 1.00 0.00 O ATOM 1028 CB LEU A 65 28.120 4.973 5.678 1.00 0.00 C ATOM 1029 CG LEU A 65 28.939 5.898 4.776 1.00 0.00 C ATOM 1030 CD1 LEU A 65 28.268 7.258 4.657 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.356 6.045 5.310 1.00 0.00 C ATOM 0 H LEU A 65 26.634 3.374 4.533 1.00 0.00 H new ATOM 0 HA LEU A 65 29.402 3.357 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.065 5.109 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.259 5.290 6.712 1.00 0.00 H new ATOM 0 HG LEU A 65 28.991 5.453 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 65 28.865 7.903 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 65 27.273 7.137 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.185 7.710 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.924 6.706 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.324 6.467 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.836 5.067 5.343 1.00 0.00 H new ATOM 1043 N SER A 66 27.481 2.269 7.449 1.00 0.00 N ATOM 1044 CA SER A 66 27.461 1.658 8.772 1.00 0.00 C ATOM 1045 C SER A 66 27.895 0.197 8.703 1.00 0.00 C ATOM 1046 O SER A 66 28.424 -0.353 9.669 1.00 0.00 O ATOM 1047 CB SER A 66 26.062 1.757 9.382 1.00 0.00 C ATOM 1048 OG SER A 66 26.039 1.226 10.696 1.00 0.00 O ATOM 0 H SER A 66 26.607 2.180 6.931 1.00 0.00 H new ATOM 0 HA SER A 66 28.165 2.199 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.744 2.799 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.350 1.218 8.756 1.00 0.00 H new ATOM 0 HG SER A 66 25.134 1.303 11.064 1.00 0.00 H new ATOM 1054 N THR A 67 27.667 -0.427 7.551 1.00 0.00 N ATOM 1055 CA THR A 67 28.033 -1.824 7.354 1.00 0.00 C ATOM 1056 C THR A 67 29.408 -1.946 6.707 1.00 0.00 C ATOM 1057 O THR A 67 29.949 -3.045 6.576 1.00 0.00 O ATOM 1058 CB THR A 67 27.000 -2.557 6.477 1.00 0.00 C ATOM 1059 OG1 THR A 67 27.074 -3.968 6.709 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.237 -2.267 5.003 1.00 0.00 C ATOM 0 H THR A 67 27.231 0.013 6.741 1.00 0.00 H new ATOM 0 HA THR A 67 28.056 -2.287 8.341 1.00 0.00 H new ATOM 0 HB THR A 67 26.007 -2.196 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 67 28.013 -4.248 6.727 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.495 -2.796 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.150 -1.195 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.236 -2.602 4.722 1.00 0.00 H new ATOM 1068 N THR A 68 29.971 -0.811 6.305 1.00 0.00 N ATOM 1069 CA THR A 68 31.284 -0.791 5.671 1.00 0.00 C ATOM 1070 C THR A 68 32.169 0.293 6.275 1.00 0.00 C ATOM 1071 O THR A 68 31.716 1.092 7.095 1.00 0.00 O ATOM 1072 CB THR A 68 31.171 -0.560 4.153 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.912 0.823 3.886 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.062 -1.413 3.556 1.00 0.00 C ATOM 0 H THR A 68 29.538 0.107 6.407 1.00 0.00 H new ATOM 0 HA THR A 68 31.737 -1.766 5.849 1.00 0.00 H new ATOM 0 HB THR A 68 32.116 -0.848 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.073 1.088 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.002 -1.232 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.277 -2.467 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.112 -1.152 4.022 1.00 0.00 H new ATOM 1082 N ARG A 69 33.432 0.316 5.863 1.00 0.00 N ATOM 1083 CA ARG A 69 34.382 1.302 6.365 1.00 0.00 C ATOM 1084 C ARG A 69 34.916 2.169 5.228 1.00 0.00 C ATOM 1085 O ARG A 69 35.951 2.820 5.365 1.00 0.00 O ATOM 1086 CB ARG A 69 35.542 0.608 7.080 1.00 0.00 C ATOM 1087 CG ARG A 69 35.101 -0.303 8.214 1.00 0.00 C ATOM 1088 CD ARG A 69 35.083 0.433 9.545 1.00 0.00 C ATOM 1089 NE ARG A 69 36.431 0.680 10.051 1.00 0.00 N ATOM 1090 CZ ARG A 69 37.175 -0.247 10.644 1.00 0.00 C ATOM 1091 NH1 ARG A 69 36.705 -1.476 10.804 1.00 0.00 N ATOM 1092 NH2 ARG A 69 38.392 0.055 11.078 1.00 0.00 N ATOM 0 H ARG A 69 33.821 -0.337 5.183 1.00 0.00 H new ATOM 0 HA ARG A 69 33.860 1.944 7.075 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.107 0.023 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 69 36.219 1.365 7.476 1.00 0.00 H new ATOM 0 HG2 ARG A 69 34.107 -0.696 8.001 1.00 0.00 H new ATOM 0 HG3 ARG A 69 35.775 -1.158 8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 69 34.560 1.382 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 69 34.523 -0.151 10.275 1.00 0.00 H new ATOM 0 HE ARG A 69 36.822 1.616 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 69 35.770 -1.712 10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 69 37.278 -2.186 11.260 1.00 0.00 H new ATOM 0 HH21 ARG A 69 38.757 1.000 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 69 38.963 -0.658 11.533 1.00 0.00 H new ATOM 1106 N MET A 70 34.203 2.171 4.107 1.00 0.00 N ATOM 1107 CA MET A 70 34.606 2.958 2.947 1.00 0.00 C ATOM 1108 C MET A 70 34.512 4.451 3.244 1.00 0.00 C ATOM 1109 O MET A 70 33.776 4.887 4.129 1.00 0.00 O ATOM 1110 CB MET A 70 33.733 2.609 1.740 1.00 0.00 C ATOM 1111 CG MET A 70 34.086 1.277 1.099 1.00 0.00 C ATOM 1112 SD MET A 70 33.030 0.882 -0.309 1.00 0.00 S ATOM 1113 CE MET A 70 31.471 0.568 0.515 1.00 0.00 C ATOM 0 H MET A 70 33.344 1.637 3.977 1.00 0.00 H new ATOM 0 HA MET A 70 35.644 2.717 2.717 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.689 2.587 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 70 33.827 3.398 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.126 1.299 0.773 1.00 0.00 H new ATOM 0 HG3 MET A 70 34.002 0.486 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.812 0.012 -0.152 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.648 -0.015 1.419 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.003 1.516 0.781 1.00 0.00 H new ATOM 1123 N PRO A 71 35.274 5.255 2.487 1.00 0.00 N ATOM 1124 CA PRO A 71 35.293 6.711 2.651 1.00 0.00 C ATOM 1125 C PRO A 71 33.989 7.362 2.202 1.00 0.00 C ATOM 1126 O PRO A 71 33.204 6.760 1.469 1.00 0.00 O ATOM 1127 CB PRO A 71 36.449 7.154 1.751 1.00 0.00 C ATOM 1128 CG PRO A 71 36.560 6.082 0.722 1.00 0.00 C ATOM 1129 CD PRO A 71 36.175 4.804 1.413 1.00 0.00 C ATOM 0 HA PRO A 71 35.411 7.002 3.695 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.246 8.122 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.375 7.257 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 71 35.901 6.282 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.575 6.022 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.676 4.114 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.046 4.284 1.811 1.00 0.00 H new ATOM 1137 N ILE A 72 33.764 8.594 2.647 1.00 0.00 N ATOM 1138 CA ILE A 72 32.556 9.326 2.289 1.00 0.00 C ATOM 1139 C ILE A 72 32.489 9.577 0.787 1.00 0.00 C ATOM 1140 O ILE A 72 31.407 9.642 0.205 1.00 0.00 O ATOM 1141 CB ILE A 72 32.476 10.676 3.028 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.548 10.459 4.541 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.197 11.410 2.653 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.453 9.564 5.076 1.00 0.00 C ATOM 0 H ILE A 72 34.403 9.106 3.256 1.00 0.00 H new ATOM 0 HA ILE A 72 31.711 8.706 2.589 1.00 0.00 H new ATOM 0 HB ILE A 72 33.325 11.289 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.516 10.025 4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.493 11.426 5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 72 31.155 12.362 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.184 11.592 1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.335 10.803 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.567 9.455 6.155 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.481 10.007 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.520 8.584 4.603 1.00 0.00 H new ATOM 1156 N ALA A 73 33.655 9.717 0.163 1.00 0.00 N ATOM 1157 CA ALA A 73 33.729 9.957 -1.272 1.00 0.00 C ATOM 1158 C ALA A 73 33.201 8.761 -2.057 1.00 0.00 C ATOM 1159 O ALA A 73 32.405 8.915 -2.984 1.00 0.00 O ATOM 1160 CB ALA A 73 35.161 10.268 -1.682 1.00 0.00 C ATOM 0 H ALA A 73 34.561 9.668 0.630 1.00 0.00 H new ATOM 0 HA ALA A 73 33.101 10.817 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.201 10.445 -2.757 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.506 11.157 -1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.803 9.424 -1.429 1.00 0.00 H new ATOM 1166 N THR A 74 33.649 7.567 -1.681 1.00 0.00 N ATOM 1167 CA THR A 74 33.223 6.345 -2.350 1.00 0.00 C ATOM 1168 C THR A 74 31.734 6.092 -2.139 1.00 0.00 C ATOM 1169 O THR A 74 30.994 5.849 -3.091 1.00 0.00 O ATOM 1170 CB THR A 74 34.016 5.123 -1.848 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.411 5.300 -2.117 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.523 3.847 -2.514 1.00 0.00 C ATOM 0 H THR A 74 34.307 7.421 -0.916 1.00 0.00 H new ATOM 0 HA THR A 74 33.418 6.483 -3.413 1.00 0.00 H new ATOM 0 HB THR A 74 33.863 5.035 -0.772 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.908 4.520 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.098 2.998 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.468 3.700 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.650 3.928 -3.594 1.00 0.00 H new ATOM 1180 N VAL A 75 31.301 6.152 -0.883 1.00 0.00 N ATOM 1181 CA VAL A 75 29.900 5.932 -0.547 1.00 0.00 C ATOM 1182 C VAL A 75 29.001 6.947 -1.244 1.00 0.00 C ATOM 1183 O VAL A 75 27.924 6.606 -1.732 1.00 0.00 O ATOM 1184 CB VAL A 75 29.668 6.016 0.974 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.220 5.696 1.312 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.615 5.080 1.709 1.00 0.00 C ATOM 0 H VAL A 75 31.901 6.351 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 75 29.646 4.930 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 75 29.875 7.035 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.075 5.760 2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.564 6.410 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 27.982 4.688 0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.438 5.152 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.442 4.055 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.646 5.361 1.492 1.00 0.00 H new ATOM 1196 N GLY A 76 29.452 8.197 -1.287 1.00 0.00 N ATOM 1197 CA GLY A 76 28.676 9.243 -1.927 1.00 0.00 C ATOM 1198 C GLY A 76 28.347 8.920 -3.371 1.00 0.00 C ATOM 1199 O GLY A 76 27.293 9.306 -3.876 1.00 0.00 O ATOM 0 H GLY A 76 30.340 8.504 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.750 9.396 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.231 10.180 -1.885 1.00 0.00 H new ATOM 1203 N ARG A 77 29.252 8.211 -4.038 1.00 0.00 N ATOM 1204 CA ARG A 77 29.054 7.839 -5.434 1.00 0.00 C ATOM 1205 C ARG A 77 27.973 6.770 -5.563 1.00 0.00 C ATOM 1206 O ARG A 77 27.243 6.727 -6.553 1.00 0.00 O ATOM 1207 CB ARG A 77 30.364 7.331 -6.040 1.00 0.00 C ATOM 1208 CG ARG A 77 31.259 8.439 -6.571 1.00 0.00 C ATOM 1209 CD ARG A 77 32.684 7.952 -6.779 1.00 0.00 C ATOM 1210 NE ARG A 77 33.593 9.045 -7.113 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.839 8.862 -7.535 1.00 0.00 C ATOM 1212 NH1 ARG A 77 35.322 7.635 -7.674 1.00 0.00 N ATOM 1213 NH2 ARG A 77 35.605 9.908 -7.819 1.00 0.00 N ATOM 0 H ARG A 77 30.129 7.883 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 77 28.731 8.726 -5.978 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.909 6.766 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.135 6.640 -6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.859 8.811 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.258 9.276 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.033 7.454 -5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.701 7.210 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 77 33.252 10.002 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.736 6.829 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.279 7.497 -7.998 1.00 0.00 H new ATOM 0 HH21 ARG A 77 35.237 10.853 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.562 9.766 -8.143 1.00 0.00 H new ATOM 1227 N ASN A 78 27.878 5.907 -4.557 1.00 0.00 N ATOM 1228 CA ASN A 78 26.887 4.837 -4.558 1.00 0.00 C ATOM 1229 C ASN A 78 25.473 5.404 -4.630 1.00 0.00 C ATOM 1230 O ASN A 78 24.573 4.788 -5.201 1.00 0.00 O ATOM 1231 CB ASN A 78 27.039 3.971 -3.306 1.00 0.00 C ATOM 1232 CG ASN A 78 27.682 2.631 -3.603 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.336 1.967 -4.580 1.00 0.00 O ATOM 1234 ND2 ASN A 78 28.625 2.227 -2.760 1.00 0.00 N ATOM 0 H ASN A 78 28.475 5.928 -3.730 1.00 0.00 H new ATOM 0 HA ASN A 78 27.057 4.220 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.641 4.504 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.058 3.809 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.094 1.334 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.880 2.810 -1.963 1.00 0.00 H new ATOM 1241 N VAL A 79 25.285 6.584 -4.047 1.00 0.00 N ATOM 1242 CA VAL A 79 23.981 7.236 -4.045 1.00 0.00 C ATOM 1243 C VAL A 79 23.832 8.170 -5.241 1.00 0.00 C ATOM 1244 O VAL A 79 22.802 8.820 -5.410 1.00 0.00 O ATOM 1245 CB VAL A 79 23.757 8.039 -2.750 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.581 7.103 -1.564 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.911 9.001 -2.513 1.00 0.00 C ATOM 0 H VAL A 79 26.019 7.108 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 79 23.232 6.446 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 79 22.843 8.623 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.424 7.689 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.718 6.459 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.475 6.490 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.736 9.560 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.841 8.439 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.985 9.694 -3.351 1.00 0.00 H new ATOM 1257 N GLY A 80 24.870 8.231 -6.070 1.00 0.00 N ATOM 1258 CA GLY A 80 24.835 9.088 -7.241 1.00 0.00 C ATOM 1259 C GLY A 80 25.443 10.452 -6.980 1.00 0.00 C ATOM 1260 O GLY A 80 25.480 11.304 -7.868 1.00 0.00 O ATOM 0 H GLY A 80 25.734 7.702 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.372 8.605 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.802 9.210 -7.567 1.00 0.00 H new ATOM 1264 N PHE A 81 25.922 10.660 -5.757 1.00 0.00 N ATOM 1265 CA PHE A 81 26.529 11.931 -5.381 1.00 0.00 C ATOM 1266 C PHE A 81 28.037 11.904 -5.616 1.00 0.00 C ATOM 1267 O PHE A 81 28.758 11.119 -5.000 1.00 0.00 O ATOM 1268 CB PHE A 81 26.236 12.246 -3.912 1.00 0.00 C ATOM 1269 CG PHE A 81 24.787 12.532 -3.638 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.018 13.225 -4.559 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.194 12.107 -2.460 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.685 13.491 -4.309 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.861 12.369 -2.205 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.106 13.061 -3.131 1.00 0.00 C ATOM 0 H PHE A 81 25.901 9.965 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 81 26.095 12.711 -6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.554 11.404 -3.298 1.00 0.00 H new ATOM 0 HB3 PHE A 81 26.832 13.106 -3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.465 13.561 -5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.780 11.565 -1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.097 14.034 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.411 12.033 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.064 13.266 -2.934 1.00 0.00 H new ATOM 1284 N ASP A 82 28.505 12.767 -6.510 1.00 0.00 N ATOM 1285 CA ASP A 82 29.927 12.844 -6.827 1.00 0.00 C ATOM 1286 C ASP A 82 30.651 13.770 -5.856 1.00 0.00 C ATOM 1287 O ASP A 82 31.826 13.568 -5.548 1.00 0.00 O ATOM 1288 CB ASP A 82 30.126 13.333 -8.263 1.00 0.00 C ATOM 1289 CG ASP A 82 29.439 14.659 -8.522 1.00 0.00 C ATOM 1290 OD1 ASP A 82 30.010 15.707 -8.152 1.00 0.00 O ATOM 1291 OD2 ASP A 82 28.330 14.650 -9.096 1.00 0.00 O ATOM 0 H ASP A 82 27.921 13.423 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 82 30.350 11.844 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.192 13.434 -8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.740 12.585 -8.955 1.00 0.00 H new ATOM 1296 N ASP A 83 29.943 14.787 -5.377 1.00 0.00 N ATOM 1297 CA ASP A 83 30.517 15.745 -4.440 1.00 0.00 C ATOM 1298 C ASP A 83 30.287 15.302 -2.999 1.00 0.00 C ATOM 1299 O ASP A 83 29.147 15.171 -2.555 1.00 0.00 O ATOM 1300 CB ASP A 83 29.914 17.133 -4.662 1.00 0.00 C ATOM 1301 CG ASP A 83 30.555 17.864 -5.825 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.434 17.272 -6.486 1.00 0.00 O ATOM 1303 OD2 ASP A 83 30.178 19.028 -6.075 1.00 0.00 O ATOM 0 H ASP A 83 28.970 14.969 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 83 31.591 15.791 -4.620 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.844 17.036 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.031 17.726 -3.755 1.00 0.00 H new ATOM 1308 N GLN A 84 31.377 15.070 -2.274 1.00 0.00 N ATOM 1309 CA GLN A 84 31.293 14.640 -0.884 1.00 0.00 C ATOM 1310 C GLN A 84 30.620 15.704 -0.024 1.00 0.00 C ATOM 1311 O GLN A 84 29.906 15.387 0.929 1.00 0.00 O ATOM 1312 CB GLN A 84 32.689 14.333 -0.338 1.00 0.00 C ATOM 1313 CG GLN A 84 33.545 15.571 -0.127 1.00 0.00 C ATOM 1314 CD GLN A 84 33.504 16.073 1.303 1.00 0.00 C ATOM 1315 OE1 GLN A 84 32.790 17.025 1.619 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.273 15.434 2.177 1.00 0.00 N ATOM 0 H GLN A 84 32.328 15.173 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 84 30.688 13.734 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.591 13.803 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.200 13.661 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 84 34.576 15.346 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.204 16.362 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 84 34.849 14.650 1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 84 34.287 15.727 3.154 1.00 0.00 H new ATOM 1325 N LEU A 85 30.852 16.967 -0.365 1.00 0.00 N ATOM 1326 CA LEU A 85 30.268 18.079 0.376 1.00 0.00 C ATOM 1327 C LEU A 85 28.758 18.141 0.164 1.00 0.00 C ATOM 1328 O LEU A 85 28.007 18.485 1.077 1.00 0.00 O ATOM 1329 CB LEU A 85 30.909 19.399 -0.056 1.00 0.00 C ATOM 1330 CG LEU A 85 32.248 19.741 0.600 1.00 0.00 C ATOM 1331 CD1 LEU A 85 32.797 21.045 0.044 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.094 19.826 2.111 1.00 0.00 C ATOM 0 H LEU A 85 31.440 17.246 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 85 30.462 17.918 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.052 19.374 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.207 20.206 0.154 1.00 0.00 H new ATOM 0 HG LEU A 85 32.957 18.946 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.750 21.272 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 85 32.945 20.948 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.090 21.851 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.056 20.070 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.370 20.601 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.746 18.867 2.496 1.00 0.00 H new ATOM 1344 N TYR A 86 28.321 17.805 -1.044 1.00 0.00 N ATOM 1345 CA TYR A 86 26.901 17.823 -1.376 1.00 0.00 C ATOM 1346 C TYR A 86 26.137 16.788 -0.555 1.00 0.00 C ATOM 1347 O TYR A 86 25.100 17.090 0.035 1.00 0.00 O ATOM 1348 CB TYR A 86 26.702 17.556 -2.868 1.00 0.00 C ATOM 1349 CG TYR A 86 25.261 17.660 -3.315 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.370 16.614 -3.106 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.789 18.805 -3.944 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.053 16.705 -3.513 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.474 18.906 -4.353 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.610 17.853 -4.136 1.00 0.00 C ATOM 1355 OH TYR A 86 21.298 17.948 -4.541 1.00 0.00 O ATOM 0 H TYR A 86 28.930 17.517 -1.810 1.00 0.00 H new ATOM 0 HA TYR A 86 26.509 18.811 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.303 18.264 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.076 16.559 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.713 15.714 -2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.463 19.631 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.374 15.882 -3.344 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.124 19.804 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 86 21.148 18.820 -4.961 1.00 0.00 H new ATOM 1365 N PHE A 87 26.659 15.567 -0.523 1.00 0.00 N ATOM 1366 CA PHE A 87 26.027 14.485 0.225 1.00 0.00 C ATOM 1367 C PHE A 87 26.076 14.760 1.725 1.00 0.00 C ATOM 1368 O PHE A 87 25.085 14.583 2.432 1.00 0.00 O ATOM 1369 CB PHE A 87 26.714 13.154 -0.084 1.00 0.00 C ATOM 1370 CG PHE A 87 26.260 12.026 0.797 1.00 0.00 C ATOM 1371 CD1 PHE A 87 24.912 11.728 0.924 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.179 11.263 1.498 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.491 10.692 1.735 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.764 10.224 2.311 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.418 9.938 2.428 1.00 0.00 C ATOM 0 H PHE A 87 27.517 15.301 -1.006 1.00 0.00 H new ATOM 0 HA PHE A 87 24.983 14.426 -0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.525 12.890 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.792 13.277 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.183 12.312 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.233 11.482 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.438 10.472 1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.491 9.638 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.091 9.126 3.060 1.00 0.00 H new ATOM 1385 N SER A 88 27.238 15.194 2.203 1.00 0.00 N ATOM 1386 CA SER A 88 27.419 15.489 3.620 1.00 0.00 C ATOM 1387 C SER A 88 26.550 16.670 4.044 1.00 0.00 C ATOM 1388 O SER A 88 26.006 16.688 5.148 1.00 0.00 O ATOM 1389 CB SER A 88 28.889 15.791 3.916 1.00 0.00 C ATOM 1390 OG SER A 88 29.642 14.596 4.034 1.00 0.00 O ATOM 0 H SER A 88 28.068 15.349 1.630 1.00 0.00 H new ATOM 0 HA SER A 88 27.114 14.612 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.304 16.409 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.967 16.366 4.839 1.00 0.00 H new ATOM 0 HG SER A 88 30.578 14.816 4.221 1.00 0.00 H new ATOM 1396 N ARG A 89 26.426 17.653 3.159 1.00 0.00 N ATOM 1397 CA ARG A 89 25.625 18.838 3.441 1.00 0.00 C ATOM 1398 C ARG A 89 24.158 18.469 3.637 1.00 0.00 C ATOM 1399 O ARG A 89 23.534 18.862 4.622 1.00 0.00 O ATOM 1400 CB ARG A 89 25.760 19.853 2.304 1.00 0.00 C ATOM 1401 CG ARG A 89 26.939 20.799 2.468 1.00 0.00 C ATOM 1402 CD ARG A 89 27.350 21.412 1.139 1.00 0.00 C ATOM 1403 NE ARG A 89 28.703 21.960 1.184 1.00 0.00 N ATOM 1404 CZ ARG A 89 29.156 22.869 0.328 1.00 0.00 C ATOM 1405 NH1 ARG A 89 28.369 23.329 -0.635 1.00 0.00 N ATOM 1406 NH2 ARG A 89 30.400 23.320 0.435 1.00 0.00 N ATOM 0 H ARG A 89 26.870 17.653 2.241 1.00 0.00 H new ATOM 0 HA ARG A 89 25.995 19.285 4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.864 19.317 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.842 20.438 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.677 21.591 3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.783 20.259 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.291 20.655 0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.648 22.202 0.871 1.00 0.00 H new ATOM 0 HE ARG A 89 29.334 21.627 1.912 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.413 22.985 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 89 28.720 24.027 -1.291 1.00 0.00 H new ATOM 0 HH21 ARG A 89 31.008 22.968 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 89 30.748 24.018 -0.222 1.00 0.00 H new ATOM 1420 N VAL A 90 23.613 17.711 2.690 1.00 0.00 N ATOM 1421 CA VAL A 90 22.219 17.288 2.758 1.00 0.00 C ATOM 1422 C VAL A 90 22.009 16.265 3.869 1.00 0.00 C ATOM 1423 O VAL A 90 21.062 16.366 4.649 1.00 0.00 O ATOM 1424 CB VAL A 90 21.751 16.682 1.422 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.305 16.218 1.523 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.918 17.688 0.293 1.00 0.00 C ATOM 0 H VAL A 90 24.115 17.378 1.867 1.00 0.00 H new ATOM 0 HA VAL A 90 21.628 18.178 2.971 1.00 0.00 H new ATOM 0 HB VAL A 90 22.372 15.814 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.992 15.793 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.219 15.462 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.667 17.067 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.582 17.243 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.323 18.576 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.968 17.967 0.206 1.00 0.00 H new ATOM 1436 N PHE A 91 22.899 15.280 3.935 1.00 0.00 N ATOM 1437 CA PHE A 91 22.811 14.237 4.950 1.00 0.00 C ATOM 1438 C PHE A 91 22.924 14.831 6.351 1.00 0.00 C ATOM 1439 O PHE A 91 22.274 14.369 7.289 1.00 0.00 O ATOM 1440 CB PHE A 91 23.909 13.194 4.736 1.00 0.00 C ATOM 1441 CG PHE A 91 23.948 12.136 5.802 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.679 12.330 6.963 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.253 10.948 5.643 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.717 11.359 7.946 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.286 9.974 6.623 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.020 10.179 7.775 1.00 0.00 C ATOM 0 H PHE A 91 23.689 15.182 3.298 1.00 0.00 H new ATOM 0 HA PHE A 91 21.838 13.755 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.762 12.717 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.875 13.698 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 91 25.226 13.251 7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.679 10.781 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.291 11.523 8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.738 9.053 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.049 9.418 8.541 1.00 0.00 H new ATOM 1456 N LYS A 92 23.756 15.859 6.486 1.00 0.00 N ATOM 1457 CA LYS A 92 23.956 16.518 7.771 1.00 0.00 C ATOM 1458 C LYS A 92 22.635 17.041 8.325 1.00 0.00 C ATOM 1459 O LYS A 92 22.359 16.919 9.519 1.00 0.00 O ATOM 1460 CB LYS A 92 24.953 17.670 7.626 1.00 0.00 C ATOM 1461 CG LYS A 92 25.063 18.539 8.868 1.00 0.00 C ATOM 1462 CD LYS A 92 24.141 19.744 8.789 1.00 0.00 C ATOM 1463 CE LYS A 92 24.811 20.995 9.334 1.00 0.00 C ATOM 1464 NZ LYS A 92 23.921 21.740 10.268 1.00 0.00 N ATOM 0 H LYS A 92 24.303 16.254 5.721 1.00 0.00 H new ATOM 0 HA LYS A 92 24.357 15.784 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.936 17.262 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.656 18.293 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 92 24.816 17.948 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 92 26.093 18.875 8.988 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.846 19.910 7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.229 19.544 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.730 20.719 9.851 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.094 21.645 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.415 22.586 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 23.055 22.026 9.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.671 21.129 11.071 1.00 0.00 H new ATOM 1478 N LYS A 93 21.821 17.623 7.451 1.00 0.00 N ATOM 1479 CA LYS A 93 20.527 18.163 7.852 1.00 0.00 C ATOM 1480 C LYS A 93 19.514 17.043 8.069 1.00 0.00 C ATOM 1481 O LYS A 93 18.556 17.198 8.828 1.00 0.00 O ATOM 1482 CB LYS A 93 20.007 19.137 6.792 1.00 0.00 C ATOM 1483 CG LYS A 93 20.958 20.284 6.501 1.00 0.00 C ATOM 1484 CD LYS A 93 20.589 21.003 5.215 1.00 0.00 C ATOM 1485 CE LYS A 93 21.384 22.288 5.046 1.00 0.00 C ATOM 1486 NZ LYS A 93 20.721 23.442 5.713 1.00 0.00 N ATOM 0 H LYS A 93 22.035 17.733 6.460 1.00 0.00 H new ATOM 0 HA LYS A 93 20.660 18.697 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.819 18.589 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.051 19.544 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.942 20.990 7.331 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.977 19.903 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.772 20.346 4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.523 21.231 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.383 22.154 5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.505 22.503 3.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.294 24.299 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.777 23.586 5.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.628 23.248 6.731 1.00 0.00 H new ATOM 1500 N CYS A 94 19.733 15.916 7.401 1.00 0.00 N ATOM 1501 CA CYS A 94 18.839 14.770 7.522 1.00 0.00 C ATOM 1502 C CYS A 94 18.695 14.344 8.979 1.00 0.00 C ATOM 1503 O CYS A 94 17.584 14.166 9.480 1.00 0.00 O ATOM 1504 CB CYS A 94 19.359 13.601 6.685 1.00 0.00 C ATOM 1505 SG CYS A 94 18.142 12.293 6.407 1.00 0.00 S ATOM 0 H CYS A 94 20.521 15.771 6.770 1.00 0.00 H new ATOM 0 HA CYS A 94 17.858 15.065 7.150 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.696 13.980 5.720 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.230 13.173 7.181 1.00 0.00 H new ATOM 0 HG CYS A 94 17.288 12.280 7.387 1.00 0.00 H new ATOM 1511 N THR A 95 19.828 14.180 9.657 1.00 0.00 N ATOM 1512 CA THR A 95 19.829 13.772 11.056 1.00 0.00 C ATOM 1513 C THR A 95 20.253 14.920 11.964 1.00 0.00 C ATOM 1514 O THR A 95 20.153 14.828 13.186 1.00 0.00 O ATOM 1515 CB THR A 95 20.768 12.573 11.291 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.132 12.983 11.143 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.462 11.447 10.315 1.00 0.00 C ATOM 0 H THR A 95 20.756 14.324 9.259 1.00 0.00 H new ATOM 0 HA THR A 95 18.808 13.478 11.300 1.00 0.00 H new ATOM 0 HB THR A 95 20.608 12.207 12.305 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.723 12.216 11.295 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.137 10.612 10.500 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.432 11.118 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.597 11.804 9.294 1.00 0.00 H new ATOM 1525 N GLY A 96 20.727 16.004 11.356 1.00 0.00 N ATOM 1526 CA GLY A 96 21.159 17.157 12.126 1.00 0.00 C ATOM 1527 C GLY A 96 22.654 17.160 12.375 1.00 0.00 C ATOM 1528 O GLY A 96 23.201 18.131 12.897 1.00 0.00 O ATOM 0 H GLY A 96 20.820 16.104 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.880 18.068 11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.635 17.169 13.081 1.00 0.00 H new ATOM 1532 N ALA A 97 23.317 16.070 12.002 1.00 0.00 N ATOM 1533 CA ALA A 97 24.758 15.951 12.188 1.00 0.00 C ATOM 1534 C ALA A 97 25.420 15.331 10.962 1.00 0.00 C ATOM 1535 O ALA A 97 24.826 14.497 10.279 1.00 0.00 O ATOM 1536 CB ALA A 97 25.064 15.127 13.430 1.00 0.00 C ATOM 0 H ALA A 97 22.879 15.257 11.569 1.00 0.00 H new ATOM 0 HA ALA A 97 25.166 16.953 12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 97 26.144 15.046 13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.632 15.613 14.305 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.636 14.130 13.320 1.00 0.00 H new ATOM 1542 N SER A 98 26.654 15.744 10.690 1.00 0.00 N ATOM 1543 CA SER A 98 27.395 15.231 9.543 1.00 0.00 C ATOM 1544 C SER A 98 27.684 13.742 9.705 1.00 0.00 C ATOM 1545 O SER A 98 27.609 13.184 10.799 1.00 0.00 O ATOM 1546 CB SER A 98 28.706 16.001 9.371 1.00 0.00 C ATOM 1547 OG SER A 98 29.148 16.537 10.607 1.00 0.00 O ATOM 0 H SER A 98 27.161 16.431 11.247 1.00 0.00 H new ATOM 0 HA SER A 98 26.781 15.369 8.653 1.00 0.00 H new ATOM 0 HB2 SER A 98 29.470 15.338 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 98 28.566 16.807 8.650 1.00 0.00 H new ATOM 0 HG SER A 98 29.988 17.023 10.471 1.00 0.00 H new ATOM 1553 N PRO A 99 28.022 13.081 8.587 1.00 0.00 N ATOM 1554 CA PRO A 99 28.330 11.648 8.578 1.00 0.00 C ATOM 1555 C PRO A 99 29.647 11.333 9.280 1.00 0.00 C ATOM 1556 O PRO A 99 29.804 10.267 9.875 1.00 0.00 O ATOM 1557 CB PRO A 99 28.427 11.316 7.087 1.00 0.00 C ATOM 1558 CG PRO A 99 28.793 12.605 6.435 1.00 0.00 C ATOM 1559 CD PRO A 99 28.131 13.683 7.248 1.00 0.00 C ATOM 0 HA PRO A 99 27.578 11.066 9.111 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.180 10.550 6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.481 10.933 6.704 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.875 12.739 6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.450 12.630 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.726 14.596 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.153 13.947 6.845 1.00 0.00 H new ATOM 1567 N SER A 100 30.589 12.267 9.207 1.00 0.00 N ATOM 1568 CA SER A 100 31.894 12.087 9.833 1.00 0.00 C ATOM 1569 C SER A 100 31.769 12.074 11.354 1.00 0.00 C ATOM 1570 O SER A 100 32.504 11.365 12.041 1.00 0.00 O ATOM 1571 CB SER A 100 32.850 13.200 9.399 1.00 0.00 C ATOM 1572 OG SER A 100 34.053 13.160 10.146 1.00 0.00 O ATOM 0 H SER A 100 30.473 13.156 8.721 1.00 0.00 H new ATOM 0 HA SER A 100 32.295 11.127 9.509 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.074 13.097 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.369 14.169 9.531 1.00 0.00 H new ATOM 0 HG SER A 100 34.647 13.880 9.848 1.00 0.00 H new ATOM 1578 N GLU A 101 30.833 12.863 11.872 1.00 0.00 N ATOM 1579 CA GLU A 101 30.613 12.943 13.311 1.00 0.00 C ATOM 1580 C GLU A 101 29.895 11.697 13.821 1.00 0.00 C ATOM 1581 O GLU A 101 30.299 11.099 14.819 1.00 0.00 O ATOM 1582 CB GLU A 101 29.798 14.191 13.656 1.00 0.00 C ATOM 1583 CG GLU A 101 29.702 14.462 15.148 1.00 0.00 C ATOM 1584 CD GLU A 101 30.744 15.452 15.630 1.00 0.00 C ATOM 1585 OE1 GLU A 101 31.848 15.484 15.047 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.455 16.196 16.591 1.00 0.00 O ATOM 0 H GLU A 101 30.215 13.455 11.317 1.00 0.00 H new ATOM 0 HA GLU A 101 31.586 13.007 13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 101 30.248 15.055 13.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.792 14.082 13.250 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.708 14.844 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.818 13.525 15.692 1.00 0.00 H new ATOM 1593 N PHE A 102 28.828 11.311 13.130 1.00 0.00 N ATOM 1594 CA PHE A 102 28.053 10.137 13.513 1.00 0.00 C ATOM 1595 C PHE A 102 28.921 8.882 13.495 1.00 0.00 C ATOM 1596 O PHE A 102 28.889 8.079 14.427 1.00 0.00 O ATOM 1597 CB PHE A 102 26.859 9.959 12.573 1.00 0.00 C ATOM 1598 CG PHE A 102 25.836 8.984 13.081 1.00 0.00 C ATOM 1599 CD1 PHE A 102 24.929 9.358 14.059 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.780 7.693 12.580 1.00 0.00 C ATOM 1601 CE1 PHE A 102 23.987 8.463 14.529 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.840 6.793 13.045 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.941 7.179 14.021 1.00 0.00 C ATOM 0 H PHE A 102 28.480 11.794 12.302 1.00 0.00 H new ATOM 0 HA PHE A 102 27.687 10.290 14.528 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.381 10.927 12.418 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.219 9.622 11.601 1.00 0.00 H new ATOM 0 HD1 PHE A 102 24.958 10.361 14.459 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.480 7.386 11.817 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.287 8.767 15.293 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.808 5.790 12.646 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.204 6.479 14.386 1.00 0.00 H new ATOM 1613 N ARG A 103 29.694 8.720 12.426 1.00 0.00 N ATOM 1614 CA ARG A 103 30.569 7.563 12.284 1.00 0.00 C ATOM 1615 C ARG A 103 31.568 7.493 13.436 1.00 0.00 C ATOM 1616 O ARG A 103 31.855 6.415 13.957 1.00 0.00 O ATOM 1617 CB ARG A 103 31.315 7.621 10.950 1.00 0.00 C ATOM 1618 CG ARG A 103 32.286 6.470 10.744 1.00 0.00 C ATOM 1619 CD ARG A 103 31.555 5.146 10.589 1.00 0.00 C ATOM 1620 NE ARG A 103 32.405 4.008 10.927 1.00 0.00 N ATOM 1621 CZ ARG A 103 31.938 2.791 11.183 1.00 0.00 C ATOM 1622 NH1 ARG A 103 30.634 2.555 11.139 1.00 0.00 N ATOM 1623 NH2 ARG A 103 32.776 1.806 11.482 1.00 0.00 N ATOM 0 H ARG A 103 29.732 9.376 11.646 1.00 0.00 H new ATOM 0 HA ARG A 103 29.950 6.666 12.307 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.589 7.622 10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.862 8.562 10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 103 32.892 6.658 9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.969 6.413 11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 103 30.673 5.142 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 103 31.204 5.044 9.562 1.00 0.00 H new ATOM 0 HE ARG A 103 33.413 4.156 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 103 29.987 3.309 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 103 30.278 1.620 11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 103 33.780 1.983 11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 103 32.416 0.872 11.678 1.00 0.00 H new ATOM 1637 N ALA A 104 32.095 8.648 13.826 1.00 0.00 N ATOM 1638 CA ALA A 104 33.061 8.718 14.916 1.00 0.00 C ATOM 1639 C ALA A 104 32.418 8.335 16.244 1.00 0.00 C ATOM 1640 O ALA A 104 33.077 7.793 17.131 1.00 0.00 O ATOM 1641 CB ALA A 104 33.661 10.114 15.001 1.00 0.00 C ATOM 0 H ALA A 104 31.870 9.549 13.404 1.00 0.00 H new ATOM 0 HA ALA A 104 33.858 8.004 14.709 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.380 10.152 15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 104 34.164 10.351 14.064 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.868 10.840 15.181 1.00 0.00 H new ATOM 1647 N GLY A 105 31.126 8.621 16.376 1.00 0.00 N ATOM 1648 CA GLY A 105 30.416 8.300 17.600 1.00 0.00 C ATOM 1649 C GLY A 105 30.437 9.440 18.599 1.00 0.00 C ATOM 1650 O GLY A 105 29.744 9.396 19.616 1.00 0.00 O ATOM 0 H GLY A 105 30.559 9.069 15.657 1.00 0.00 H new ATOM 0 HA2 GLY A 105 29.382 8.049 17.362 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.862 7.415 18.054 1.00 0.00 H new ATOM 1654 N CYS A 106 31.233 10.463 18.309 1.00 0.00 N ATOM 1655 CA CYS A 106 31.343 11.620 19.191 1.00 0.00 C ATOM 1656 C CYS A 106 29.973 12.238 19.450 1.00 0.00 C ATOM 1657 O CYS A 106 29.288 12.662 18.519 1.00 0.00 O ATOM 1658 CB CYS A 106 32.281 12.663 18.583 1.00 0.00 C ATOM 1659 SG CYS A 106 32.671 14.039 19.690 1.00 0.00 S ATOM 0 H CYS A 106 31.812 10.515 17.471 1.00 0.00 H new ATOM 0 HA CYS A 106 31.755 11.283 20.142 1.00 0.00 H new ATOM 0 HB2 CYS A 106 33.209 12.173 18.288 1.00 0.00 H new ATOM 0 HB3 CYS A 106 31.827 13.059 17.675 1.00 0.00 H new ATOM 0 HG CYS A 106 33.472 14.867 19.088 1.00 0.00 H new