USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 21 ASN : amide:sc= -3.13! C(o=-6.6!,f=-7!) USER MOD Set 1.2: A 23 LYS NZ :NH3+ -120:sc= -3.45! (180deg=-2.46) USER MOD Single : A 1 SER N :NH3+ 167:sc= -0.0376 (180deg=-0.249) USER MOD Single : A 1 SER OG : rot -59:sc= 1.18 USER MOD Single : A 4 TYR OH : rot -39:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ -149:sc= -0.352 (180deg=-1.43!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3!) USER MOD Single : A 24 THR OG1 : rot -140:sc= 0.826 USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.151) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -161:sc= -0.372 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0787) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.825 (180deg=-1.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-0.00777 K(o=-0.0078,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot 93:sc= 0.363 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00812 USER MOD Single : A 57 SER OG : rot 180:sc= -0.022 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.6 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -159:sc= -0.203 (180deg=-1.25!) USER MOD Single : A 76 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.024) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.059 16.086 -0.516 1.00 0.00 N ATOM 2 CA SER A 1 5.929 16.027 0.454 1.00 0.00 C ATOM 3 C SER A 1 4.705 15.414 -0.229 1.00 0.00 C ATOM 4 O SER A 1 3.574 15.706 0.108 1.00 0.00 O ATOM 5 CB SER A 1 5.593 17.439 0.933 1.00 0.00 C ATOM 6 OG SER A 1 4.468 17.387 1.799 1.00 0.00 O ATOM 0 H1 SER A 1 7.812 16.693 -0.135 1.00 0.00 H new ATOM 0 H2 SER A 1 7.432 15.128 -0.673 1.00 0.00 H new ATOM 0 H3 SER A 1 6.722 16.478 -1.418 1.00 0.00 H new ATOM 0 HA SER A 1 6.214 15.414 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.447 17.871 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.380 18.083 0.080 1.00 0.00 H new ATOM 0 HG SER A 1 3.704 17.002 1.320 1.00 0.00 H new ATOM 14 N ASP A 2 4.933 14.565 -1.194 1.00 0.00 N ATOM 15 CA ASP A 2 3.807 13.919 -1.925 1.00 0.00 C ATOM 16 C ASP A 2 2.999 13.033 -0.962 1.00 0.00 C ATOM 17 O ASP A 2 3.516 12.114 -0.362 1.00 0.00 O ATOM 18 CB ASP A 2 4.395 13.082 -3.082 1.00 0.00 C ATOM 19 CG ASP A 2 4.825 11.693 -2.592 1.00 0.00 C ATOM 20 OD1 ASP A 2 3.949 10.891 -2.314 1.00 0.00 O ATOM 21 OD2 ASP A 2 6.019 11.458 -2.509 1.00 0.00 O ATOM 0 H ASP A 2 5.863 14.289 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 2 3.133 14.674 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.654 12.979 -3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.251 13.601 -3.513 1.00 0.00 H new ATOM 26 N VAL A 3 1.742 13.343 -0.777 1.00 0.00 N ATOM 27 CA VAL A 3 0.904 12.560 0.181 1.00 0.00 C ATOM 28 C VAL A 3 0.517 11.191 -0.400 1.00 0.00 C ATOM 29 O VAL A 3 0.084 10.314 0.327 1.00 0.00 O ATOM 30 CB VAL A 3 -0.375 13.376 0.541 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.102 14.870 0.363 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.575 12.988 -0.344 1.00 0.00 C ATOM 0 H VAL A 3 1.258 14.107 -1.249 1.00 0.00 H new ATOM 0 HA VAL A 3 1.489 12.381 1.083 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.622 13.149 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.998 15.436 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.715 15.171 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.173 15.069 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.444 13.581 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.333 13.179 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.798 11.929 -0.211 1.00 0.00 H new ATOM 42 N TYR A 4 0.611 10.987 -1.692 1.00 0.00 N ATOM 43 CA TYR A 4 0.164 9.669 -2.243 1.00 0.00 C ATOM 44 C TYR A 4 1.189 8.563 -1.927 1.00 0.00 C ATOM 45 O TYR A 4 0.838 7.502 -1.451 1.00 0.00 O ATOM 46 CB TYR A 4 -0.103 9.799 -3.746 1.00 0.00 C ATOM 47 CG TYR A 4 -1.528 10.243 -3.999 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.579 9.337 -3.827 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.794 11.550 -4.428 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.894 9.732 -4.081 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.112 11.949 -4.677 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.164 11.040 -4.505 1.00 0.00 C ATOM 53 OH TYR A 4 -5.462 11.431 -4.755 1.00 0.00 O ATOM 0 H TYR A 4 0.968 11.657 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.769 9.377 -1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.590 10.518 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.078 8.843 -4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.373 8.329 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.982 12.249 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.703 9.029 -3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.318 12.958 -5.002 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.946 10.698 -5.190 1.00 0.00 H new ATOM 63 N CYS A 5 2.450 8.795 -2.202 1.00 0.00 N ATOM 64 CA CYS A 5 3.469 7.734 -1.925 1.00 0.00 C ATOM 65 C CYS A 5 3.440 7.406 -0.421 1.00 0.00 C ATOM 66 O CYS A 5 3.500 6.259 -0.032 1.00 0.00 O ATOM 67 CB CYS A 5 4.871 8.211 -2.337 1.00 0.00 C ATOM 68 SG CYS A 5 5.864 6.783 -2.842 1.00 0.00 S ATOM 0 H CYS A 5 2.814 9.660 -2.601 1.00 0.00 H new ATOM 0 HA CYS A 5 3.234 6.842 -2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.798 8.926 -3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.351 8.727 -1.505 1.00 0.00 H new ATOM 73 N GLU A 6 3.361 8.384 0.434 1.00 0.00 N ATOM 74 CA GLU A 6 3.347 8.075 1.894 1.00 0.00 C ATOM 75 C GLU A 6 2.236 7.073 2.190 1.00 0.00 C ATOM 76 O GLU A 6 2.402 6.157 2.971 1.00 0.00 O ATOM 77 CB GLU A 6 3.108 9.356 2.687 1.00 0.00 C ATOM 78 CG GLU A 6 4.166 10.382 2.297 1.00 0.00 C ATOM 79 CD GLU A 6 5.546 9.887 2.734 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.870 10.047 3.899 1.00 0.00 O ATOM 81 OE2 GLU A 6 6.255 9.357 1.894 1.00 0.00 O ATOM 0 H GLU A 6 3.306 9.373 0.193 1.00 0.00 H new ATOM 0 HA GLU A 6 4.307 7.648 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.111 9.746 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.157 9.152 3.757 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.151 10.543 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.947 11.341 2.766 1.00 0.00 H new ATOM 88 N VAL A 7 1.101 7.243 1.576 1.00 0.00 N ATOM 89 CA VAL A 7 -0.027 6.304 1.828 1.00 0.00 C ATOM 90 C VAL A 7 0.281 4.921 1.231 1.00 0.00 C ATOM 91 O VAL A 7 0.017 3.909 1.848 1.00 0.00 O ATOM 92 CB VAL A 7 -1.311 6.885 1.226 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.415 5.821 1.216 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.770 8.106 2.042 1.00 0.00 C ATOM 0 H VAL A 7 0.904 7.991 0.911 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.163 6.179 2.902 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.109 7.197 0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.323 6.243 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.093 4.968 0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.614 5.494 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.683 8.512 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.962 7.804 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.991 8.868 2.026 1.00 0.00 H new ATOM 104 N CYS A 8 0.833 4.855 0.044 1.00 0.00 N ATOM 105 CA CYS A 8 1.142 3.525 -0.559 1.00 0.00 C ATOM 106 C CYS A 8 2.111 2.769 0.339 1.00 0.00 C ATOM 107 O CYS A 8 2.061 1.559 0.434 1.00 0.00 O ATOM 108 CB CYS A 8 1.761 3.730 -1.942 1.00 0.00 C ATOM 109 SG CYS A 8 3.471 4.282 -1.798 1.00 0.00 S ATOM 0 H CYS A 8 1.081 5.661 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 8 0.225 2.944 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.721 2.798 -2.506 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.182 4.466 -2.500 1.00 0.00 H new ATOM 114 N GLU A 9 2.984 3.460 1.019 1.00 0.00 N ATOM 115 CA GLU A 9 3.928 2.755 1.920 1.00 0.00 C ATOM 116 C GLU A 9 3.207 2.420 3.220 1.00 0.00 C ATOM 117 O GLU A 9 3.531 1.450 3.878 1.00 0.00 O ATOM 118 CB GLU A 9 5.113 3.670 2.250 1.00 0.00 C ATOM 119 CG GLU A 9 5.961 3.899 1.002 1.00 0.00 C ATOM 120 CD GLU A 9 7.148 4.801 1.350 1.00 0.00 C ATOM 121 OE1 GLU A 9 6.919 5.850 1.927 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.265 4.426 1.031 1.00 0.00 O ATOM 0 H GLU A 9 3.082 4.475 0.988 1.00 0.00 H new ATOM 0 HA GLU A 9 4.286 1.849 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.750 4.624 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.721 3.222 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.317 2.946 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.358 4.359 0.219 1.00 0.00 H new ATOM 129 N PHE A 10 2.227 3.194 3.611 1.00 0.00 N ATOM 130 CA PHE A 10 1.518 2.866 4.874 1.00 0.00 C ATOM 131 C PHE A 10 0.670 1.599 4.678 1.00 0.00 C ATOM 132 O PHE A 10 0.718 0.689 5.482 1.00 0.00 O ATOM 133 CB PHE A 10 0.624 4.034 5.291 1.00 0.00 C ATOM 134 CG PHE A 10 -0.026 3.694 6.607 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.693 3.844 7.798 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.337 3.210 6.635 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.099 3.516 9.021 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.934 2.877 7.859 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.215 3.032 9.051 1.00 0.00 C ATOM 0 H PHE A 10 1.895 4.023 3.118 1.00 0.00 H new ATOM 0 HA PHE A 10 2.252 2.687 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.213 4.947 5.384 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.135 4.220 4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.708 4.213 7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.890 3.093 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.653 3.636 9.941 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.946 2.502 7.883 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.675 2.778 9.995 1.00 0.00 H new ATOM 149 N LEU A 11 -0.094 1.515 3.615 1.00 0.00 N ATOM 150 CA LEU A 11 -0.913 0.283 3.394 1.00 0.00 C ATOM 151 C LEU A 11 0.027 -0.911 3.236 1.00 0.00 C ATOM 152 O LEU A 11 -0.205 -1.964 3.798 1.00 0.00 O ATOM 153 CB LEU A 11 -1.770 0.408 2.121 1.00 0.00 C ATOM 154 CG LEU A 11 -2.722 1.608 2.233 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.312 1.915 0.853 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.865 1.297 3.212 1.00 0.00 C ATOM 0 H LEU A 11 -0.185 2.236 2.900 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.575 0.148 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.125 0.527 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.343 -0.507 1.970 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.163 2.468 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.989 2.766 0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.507 2.151 0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.861 1.046 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.530 2.158 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.425 0.433 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.452 1.080 4.197 1.00 0.00 H new ATOM 168 N VAL A 12 1.085 -0.773 2.484 1.00 0.00 N ATOM 169 CA VAL A 12 2.021 -1.913 2.308 1.00 0.00 C ATOM 170 C VAL A 12 2.572 -2.339 3.680 1.00 0.00 C ATOM 171 O VAL A 12 2.586 -3.503 4.015 1.00 0.00 O ATOM 172 CB VAL A 12 3.165 -1.455 1.384 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.390 -2.361 1.538 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.692 -1.502 -0.073 1.00 0.00 C ATOM 0 H VAL A 12 1.339 0.080 1.986 1.00 0.00 H new ATOM 0 HA VAL A 12 1.511 -2.767 1.863 1.00 0.00 H new ATOM 0 HB VAL A 12 3.443 -0.438 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.183 -2.016 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.740 -2.328 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.120 -3.385 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.500 -1.178 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.403 -2.521 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.835 -0.840 -0.199 1.00 0.00 H new ATOM 184 N LYS A 13 3.020 -1.395 4.473 1.00 0.00 N ATOM 185 CA LYS A 13 3.572 -1.734 5.822 1.00 0.00 C ATOM 186 C LYS A 13 2.508 -2.478 6.638 1.00 0.00 C ATOM 187 O LYS A 13 2.787 -3.450 7.315 1.00 0.00 O ATOM 188 CB LYS A 13 3.963 -0.426 6.534 1.00 0.00 C ATOM 189 CG LYS A 13 4.171 -0.666 8.040 1.00 0.00 C ATOM 190 CD LYS A 13 4.845 0.560 8.686 1.00 0.00 C ATOM 191 CE LYS A 13 6.369 0.467 8.551 1.00 0.00 C ATOM 192 NZ LYS A 13 6.849 -0.798 9.177 1.00 0.00 N ATOM 0 H LYS A 13 3.027 -0.401 4.243 1.00 0.00 H new ATOM 0 HA LYS A 13 4.448 -2.374 5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.877 -0.027 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.184 0.322 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.212 -0.858 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.788 -1.552 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.487 1.473 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.570 0.621 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.654 0.495 7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.840 1.324 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.805 -0.655 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.205 -1.071 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.873 -1.552 8.461 1.00 0.00 H new ATOM 206 N GLU A 14 1.295 -2.010 6.589 1.00 0.00 N ATOM 207 CA GLU A 14 0.207 -2.659 7.373 1.00 0.00 C ATOM 208 C GLU A 14 -0.138 -4.012 6.749 1.00 0.00 C ATOM 209 O GLU A 14 -0.441 -4.958 7.449 1.00 0.00 O ATOM 210 CB GLU A 14 -1.033 -1.728 7.377 1.00 0.00 C ATOM 211 CG GLU A 14 -1.323 -1.226 8.798 1.00 0.00 C ATOM 212 CD GLU A 14 -1.827 -2.386 9.658 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.708 -3.097 9.201 1.00 0.00 O ATOM 214 OE2 GLU A 14 -1.323 -2.545 10.758 1.00 0.00 O ATOM 0 H GLU A 14 1.007 -1.202 6.037 1.00 0.00 H new ATOM 0 HA GLU A 14 0.532 -2.826 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.861 -0.880 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.899 -2.265 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.420 -0.801 9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.068 -0.431 8.769 1.00 0.00 H new ATOM 221 N VAL A 15 -0.120 -4.121 5.454 1.00 0.00 N ATOM 222 CA VAL A 15 -0.481 -5.425 4.844 1.00 0.00 C ATOM 223 C VAL A 15 0.583 -6.480 5.177 1.00 0.00 C ATOM 224 O VAL A 15 0.256 -7.612 5.452 1.00 0.00 O ATOM 225 CB VAL A 15 -0.638 -5.274 3.316 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.557 -6.646 2.630 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.000 -4.643 3.006 1.00 0.00 C ATOM 0 H VAL A 15 0.125 -3.377 4.800 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.434 -5.755 5.257 1.00 0.00 H new ATOM 0 HB VAL A 15 0.166 -4.640 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.670 -6.522 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.409 -7.103 2.843 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.353 -7.288 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.114 -4.535 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.794 -5.282 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.062 -3.662 3.477 1.00 0.00 H new ATOM 237 N THR A 16 1.847 -6.163 5.122 1.00 0.00 N ATOM 238 CA THR A 16 2.833 -7.242 5.407 1.00 0.00 C ATOM 239 C THR A 16 2.698 -7.730 6.843 1.00 0.00 C ATOM 240 O THR A 16 2.785 -8.914 7.102 1.00 0.00 O ATOM 241 CB THR A 16 4.277 -6.815 5.160 1.00 0.00 C ATOM 242 OG1 THR A 16 4.809 -6.238 6.344 1.00 0.00 O ATOM 243 CG2 THR A 16 4.373 -5.806 4.010 1.00 0.00 C ATOM 0 H THR A 16 2.229 -5.243 4.902 1.00 0.00 H new ATOM 0 HA THR A 16 2.602 -8.049 4.711 1.00 0.00 H new ATOM 0 HB THR A 16 4.851 -7.699 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.737 -5.965 6.187 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.415 -5.523 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.985 -6.257 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.787 -4.920 4.254 1.00 0.00 H new ATOM 251 N LYS A 17 2.475 -6.862 7.790 1.00 0.00 N ATOM 252 CA LYS A 17 2.334 -7.374 9.176 1.00 0.00 C ATOM 253 C LYS A 17 1.119 -8.300 9.188 1.00 0.00 C ATOM 254 O LYS A 17 1.063 -9.281 9.902 1.00 0.00 O ATOM 255 CB LYS A 17 2.119 -6.222 10.171 1.00 0.00 C ATOM 256 CG LYS A 17 1.530 -6.782 11.479 1.00 0.00 C ATOM 257 CD LYS A 17 1.780 -5.826 12.640 1.00 0.00 C ATOM 258 CE LYS A 17 1.265 -6.476 13.929 1.00 0.00 C ATOM 259 NZ LYS A 17 1.774 -5.717 15.105 1.00 0.00 N ATOM 0 H LYS A 17 2.387 -5.853 7.670 1.00 0.00 H new ATOM 0 HA LYS A 17 3.240 -7.900 9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.064 -5.718 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.445 -5.479 9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.459 -6.944 11.360 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.977 -7.752 11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.844 -5.606 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.272 -4.878 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.175 -6.486 13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.594 -7.514 13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.425 -6.158 15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.814 -5.729 15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.439 -4.734 15.055 1.00 0.00 H new ATOM 273 N LEU A 18 0.150 -7.973 8.381 1.00 0.00 N ATOM 274 CA LEU A 18 -1.083 -8.794 8.298 1.00 0.00 C ATOM 275 C LEU A 18 -0.725 -10.103 7.583 1.00 0.00 C ATOM 276 O LEU A 18 -1.180 -11.168 7.944 1.00 0.00 O ATOM 277 CB LEU A 18 -2.156 -8.014 7.510 1.00 0.00 C ATOM 278 CG LEU A 18 -2.771 -6.790 8.293 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.289 -6.947 8.413 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.210 -6.616 9.719 1.00 0.00 C ATOM 0 H LEU A 18 0.163 -7.159 7.767 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.480 -9.015 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.717 -7.653 6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.960 -8.698 7.238 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.497 -5.910 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.701 -6.096 8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.730 -6.991 7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.518 -7.866 8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.681 -5.755 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.419 -7.511 10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.133 -6.459 9.669 1.00 0.00 H new ATOM 292 N ILE A 19 0.124 -10.027 6.593 1.00 0.00 N ATOM 293 CA ILE A 19 0.560 -11.256 5.875 1.00 0.00 C ATOM 294 C ILE A 19 1.453 -12.035 6.829 1.00 0.00 C ATOM 295 O ILE A 19 1.493 -13.250 6.823 1.00 0.00 O ATOM 296 CB ILE A 19 1.350 -10.869 4.611 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.393 -10.217 3.599 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.983 -12.114 3.986 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.178 -9.686 2.394 1.00 0.00 C ATOM 0 H ILE A 19 0.536 -9.159 6.250 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.297 -11.856 5.569 1.00 0.00 H new ATOM 0 HB ILE A 19 2.140 -10.167 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.348 -10.944 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.151 -9.402 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.539 -11.830 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.660 -12.577 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.201 -12.823 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.489 -9.227 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.902 -8.943 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.702 -10.510 1.909 1.00 0.00 H new ATOM 311 N ASP A 20 2.171 -11.329 7.656 1.00 0.00 N ATOM 312 CA ASP A 20 3.075 -11.992 8.627 1.00 0.00 C ATOM 313 C ASP A 20 2.266 -12.572 9.788 1.00 0.00 C ATOM 314 O ASP A 20 2.716 -13.482 10.456 1.00 0.00 O ATOM 315 CB ASP A 20 4.072 -10.967 9.169 1.00 0.00 C ATOM 316 CG ASP A 20 5.152 -11.684 9.981 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.603 -12.728 9.539 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.510 -11.177 11.031 1.00 0.00 O ATOM 0 H ASP A 20 2.168 -10.310 7.699 1.00 0.00 H new ATOM 0 HA ASP A 20 3.607 -12.800 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.527 -10.416 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.556 -10.238 9.794 1.00 0.00 H new ATOM 323 N ASN A 21 1.078 -12.059 10.053 1.00 0.00 N ATOM 324 CA ASN A 21 0.279 -12.615 11.198 1.00 0.00 C ATOM 325 C ASN A 21 -0.575 -13.794 10.704 1.00 0.00 C ATOM 326 O ASN A 21 -1.285 -14.407 11.470 1.00 0.00 O ATOM 327 CB ASN A 21 -0.587 -11.529 11.843 1.00 0.00 C ATOM 328 CG ASN A 21 -1.318 -12.111 13.055 1.00 0.00 C ATOM 329 OD1 ASN A 21 -1.018 -13.203 13.493 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.272 -11.421 13.618 1.00 0.00 N ATOM 0 H ASN A 21 0.638 -11.297 9.537 1.00 0.00 H new ATOM 0 HA ASN A 21 0.963 -12.977 11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.035 -10.688 12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.307 -11.146 11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.766 -11.799 14.426 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.524 -10.504 13.250 1.00 0.00 H new ATOM 337 N ASN A 22 -0.444 -14.155 9.446 1.00 0.00 N ATOM 338 CA ASN A 22 -1.172 -15.359 8.894 1.00 0.00 C ATOM 339 C ASN A 22 -2.652 -15.087 8.581 1.00 0.00 C ATOM 340 O ASN A 22 -3.495 -15.917 8.858 1.00 0.00 O ATOM 341 CB ASN A 22 -1.087 -16.525 9.899 1.00 0.00 C ATOM 342 CG ASN A 22 0.275 -16.511 10.597 1.00 0.00 C ATOM 343 OD1 ASN A 22 0.365 -16.223 11.773 1.00 0.00 O ATOM 344 ND2 ASN A 22 1.347 -16.811 9.915 1.00 0.00 N ATOM 0 H ASN A 22 0.140 -13.665 8.768 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.680 -15.610 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.885 -16.440 10.637 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.231 -17.474 9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.260 -16.803 10.370 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.272 -17.053 8.927 1.00 0.00 H new ATOM 351 N LYS A 23 -2.991 -13.968 8.002 1.00 0.00 N ATOM 352 CA LYS A 23 -4.435 -13.706 7.677 1.00 0.00 C ATOM 353 C LYS A 23 -4.687 -14.075 6.204 1.00 0.00 C ATOM 354 O LYS A 23 -3.804 -13.997 5.373 1.00 0.00 O ATOM 355 CB LYS A 23 -4.743 -12.226 7.910 1.00 0.00 C ATOM 356 CG LYS A 23 -4.068 -11.717 9.224 1.00 0.00 C ATOM 357 CD LYS A 23 -5.088 -11.010 10.136 1.00 0.00 C ATOM 358 CE LYS A 23 -4.407 -10.629 11.452 1.00 0.00 C ATOM 359 NZ LYS A 23 -3.339 -9.625 11.187 1.00 0.00 N ATOM 0 H LYS A 23 -2.343 -13.226 7.739 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.082 -14.307 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.388 -11.639 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.821 -12.080 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.622 -12.557 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.259 -11.030 8.978 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.478 -10.119 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.937 -11.666 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.140 -10.221 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.980 -11.515 11.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.421 -10.005 11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.304 -9.416 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.545 -8.752 11.713 1.00 0.00 H new ATOM 373 N THR A 24 -5.898 -14.473 5.881 1.00 0.00 N ATOM 374 CA THR A 24 -6.229 -14.844 4.470 1.00 0.00 C ATOM 375 C THR A 24 -6.445 -13.586 3.623 1.00 0.00 C ATOM 376 O THR A 24 -6.454 -12.484 4.127 1.00 0.00 O ATOM 377 CB THR A 24 -7.515 -15.686 4.428 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.637 -14.829 4.260 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.677 -16.473 5.726 1.00 0.00 C ATOM 0 H THR A 24 -6.673 -14.556 6.539 1.00 0.00 H new ATOM 0 HA THR A 24 -5.395 -15.420 4.069 1.00 0.00 H new ATOM 0 HB THR A 24 -7.450 -16.384 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.377 -15.145 4.820 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.592 -17.064 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.822 -17.136 5.858 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.733 -15.781 6.566 1.00 0.00 H new ATOM 387 N GLU A 25 -6.652 -13.757 2.344 1.00 0.00 N ATOM 388 CA GLU A 25 -6.901 -12.582 1.451 1.00 0.00 C ATOM 389 C GLU A 25 -8.250 -11.950 1.827 1.00 0.00 C ATOM 390 O GLU A 25 -8.381 -10.748 1.929 1.00 0.00 O ATOM 391 CB GLU A 25 -6.938 -13.061 -0.005 1.00 0.00 C ATOM 392 CG GLU A 25 -6.787 -11.869 -0.953 1.00 0.00 C ATOM 393 CD GLU A 25 -7.250 -12.266 -2.357 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.424 -12.557 -2.511 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.422 -12.271 -3.252 1.00 0.00 O ATOM 0 H GLU A 25 -6.660 -14.663 1.875 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.108 -11.843 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.137 -13.779 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.878 -13.577 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.375 -11.026 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.747 -11.543 -0.981 1.00 0.00 H new ATOM 402 N LYS A 26 -9.251 -12.765 2.020 1.00 0.00 N ATOM 403 CA LYS A 26 -10.610 -12.248 2.374 1.00 0.00 C ATOM 404 C LYS A 26 -10.551 -11.362 3.631 1.00 0.00 C ATOM 405 O LYS A 26 -11.304 -10.418 3.766 1.00 0.00 O ATOM 406 CB LYS A 26 -11.549 -13.450 2.610 1.00 0.00 C ATOM 407 CG LYS A 26 -12.981 -13.122 2.153 1.00 0.00 C ATOM 408 CD LYS A 26 -13.483 -11.855 2.858 1.00 0.00 C ATOM 409 CE LYS A 26 -15.013 -11.804 2.802 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.458 -11.778 1.380 1.00 0.00 N ATOM 0 H LYS A 26 -9.187 -13.780 1.947 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.988 -11.635 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.179 -14.319 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.551 -13.713 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.002 -12.979 1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.643 -13.959 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.147 -11.847 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.062 -10.970 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.435 -12.671 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.377 -10.919 3.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.465 -11.524 1.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.900 -11.075 0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.319 -12.717 0.956 1.00 0.00 H new ATOM 424 N GLU A 27 -9.677 -11.649 4.546 1.00 0.00 N ATOM 425 CA GLU A 27 -9.598 -10.813 5.783 1.00 0.00 C ATOM 426 C GLU A 27 -8.880 -9.485 5.492 1.00 0.00 C ATOM 427 O GLU A 27 -9.221 -8.462 6.052 1.00 0.00 O ATOM 428 CB GLU A 27 -8.835 -11.581 6.867 1.00 0.00 C ATOM 429 CG GLU A 27 -9.745 -12.641 7.506 1.00 0.00 C ATOM 430 CD GLU A 27 -10.456 -13.450 6.418 1.00 0.00 C ATOM 431 OE1 GLU A 27 -11.423 -12.945 5.871 1.00 0.00 O ATOM 432 OE2 GLU A 27 -10.026 -14.560 6.155 1.00 0.00 O ATOM 0 H GLU A 27 -9.013 -12.422 4.498 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.609 -10.595 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.956 -12.059 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.478 -10.889 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.155 -13.306 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.480 -12.159 8.151 1.00 0.00 H new ATOM 439 N ILE A 28 -7.890 -9.482 4.642 1.00 0.00 N ATOM 440 CA ILE A 28 -7.169 -8.205 4.353 1.00 0.00 C ATOM 441 C ILE A 28 -8.138 -7.236 3.681 1.00 0.00 C ATOM 442 O ILE A 28 -8.141 -6.054 3.963 1.00 0.00 O ATOM 443 CB ILE A 28 -5.970 -8.502 3.434 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.233 -9.777 3.955 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.042 -7.284 3.372 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.709 -9.616 4.018 1.00 0.00 C ATOM 0 H ILE A 28 -7.549 -10.300 4.137 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.799 -7.755 5.274 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.311 -8.698 2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.606 -10.023 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.476 -10.619 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.197 -7.503 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.591 -6.428 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.677 -7.053 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.261 -10.538 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.324 -9.400 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.457 -8.795 4.690 1.00 0.00 H new ATOM 458 N LEU A 29 -8.965 -7.720 2.804 1.00 0.00 N ATOM 459 CA LEU A 29 -9.937 -6.821 2.129 1.00 0.00 C ATOM 460 C LEU A 29 -11.045 -6.431 3.116 1.00 0.00 C ATOM 461 O LEU A 29 -11.620 -5.366 3.037 1.00 0.00 O ATOM 462 CB LEU A 29 -10.531 -7.553 0.926 1.00 0.00 C ATOM 463 CG LEU A 29 -9.394 -8.070 0.033 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.987 -8.908 -1.103 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.610 -6.883 -0.557 1.00 0.00 C ATOM 0 H LEU A 29 -9.011 -8.700 2.524 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.437 -5.914 1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.151 -8.384 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.177 -6.882 0.360 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.717 -8.683 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.184 -9.278 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.536 -9.752 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.665 -8.292 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.805 -7.257 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.281 -6.264 -1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.188 -6.287 0.252 1.00 0.00 H new ATOM 477 N ASP A 30 -11.331 -7.285 4.061 1.00 0.00 N ATOM 478 CA ASP A 30 -12.378 -6.957 5.073 1.00 0.00 C ATOM 479 C ASP A 30 -11.855 -5.820 5.963 1.00 0.00 C ATOM 480 O ASP A 30 -12.567 -4.885 6.273 1.00 0.00 O ATOM 481 CB ASP A 30 -12.670 -8.189 5.931 1.00 0.00 C ATOM 482 CG ASP A 30 -13.815 -7.880 6.896 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.720 -7.163 6.501 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.767 -8.364 8.015 1.00 0.00 O ATOM 0 H ASP A 30 -10.886 -8.195 4.177 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.297 -6.649 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.935 -9.034 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.778 -8.477 6.488 1.00 0.00 H new ATOM 489 N ALA A 31 -10.627 -5.910 6.392 1.00 0.00 N ATOM 490 CA ALA A 31 -10.056 -4.856 7.285 1.00 0.00 C ATOM 491 C ALA A 31 -9.872 -3.536 6.522 1.00 0.00 C ATOM 492 O ALA A 31 -9.876 -2.473 7.112 1.00 0.00 O ATOM 493 CB ALA A 31 -8.704 -5.337 7.816 1.00 0.00 C ATOM 0 H ALA A 31 -9.989 -6.672 6.163 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.744 -4.679 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.278 -4.575 8.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.842 -6.261 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.028 -5.518 6.980 1.00 0.00 H new ATOM 499 N PHE A 32 -9.726 -3.579 5.228 1.00 0.00 N ATOM 500 CA PHE A 32 -9.562 -2.312 4.450 1.00 0.00 C ATOM 501 C PHE A 32 -10.673 -1.335 4.830 1.00 0.00 C ATOM 502 O PHE A 32 -10.619 -0.166 4.504 1.00 0.00 O ATOM 503 CB PHE A 32 -9.649 -2.658 2.953 1.00 0.00 C ATOM 504 CG PHE A 32 -8.300 -3.101 2.389 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.230 -3.515 3.220 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.118 -3.074 0.999 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.008 -3.885 2.649 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.894 -3.455 0.439 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.840 -3.857 1.264 1.00 0.00 C ATOM 0 H PHE A 32 -9.713 -4.434 4.672 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.601 -1.847 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.382 -3.452 2.806 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.005 -1.789 2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.358 -3.545 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.927 -2.757 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.190 -4.194 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.763 -3.438 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.895 -4.146 0.829 1.00 0.00 H new ATOM 519 N ASP A 33 -11.683 -1.796 5.509 1.00 0.00 N ATOM 520 CA ASP A 33 -12.791 -0.882 5.894 1.00 0.00 C ATOM 521 C ASP A 33 -12.437 -0.166 7.202 1.00 0.00 C ATOM 522 O ASP A 33 -12.917 0.920 7.464 1.00 0.00 O ATOM 523 CB ASP A 33 -14.082 -1.691 6.068 1.00 0.00 C ATOM 524 CG ASP A 33 -14.662 -2.034 4.694 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.917 -1.114 3.934 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.840 -3.211 4.424 1.00 0.00 O ATOM 0 H ASP A 33 -11.790 -2.764 5.814 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.939 -0.137 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.878 -2.605 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.807 -1.119 6.647 1.00 0.00 H new ATOM 531 N LYS A 34 -11.592 -0.753 8.025 1.00 0.00 N ATOM 532 CA LYS A 34 -11.196 -0.094 9.315 1.00 0.00 C ATOM 533 C LYS A 34 -9.715 0.299 9.273 1.00 0.00 C ATOM 534 O LYS A 34 -9.169 0.786 10.242 1.00 0.00 O ATOM 535 CB LYS A 34 -11.390 -1.071 10.481 1.00 0.00 C ATOM 536 CG LYS A 34 -12.846 -1.543 10.544 1.00 0.00 C ATOM 537 CD LYS A 34 -13.146 -2.103 11.938 1.00 0.00 C ATOM 538 CE LYS A 34 -12.239 -3.304 12.208 1.00 0.00 C ATOM 539 NZ LYS A 34 -12.733 -4.042 13.405 1.00 0.00 N ATOM 0 H LYS A 34 -11.160 -1.662 7.857 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.818 0.791 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.728 -1.928 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.117 -0.587 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.517 -0.713 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.024 -2.308 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.985 -1.334 12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.192 -2.401 12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.225 -3.964 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.214 -2.970 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.116 -4.859 13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.725 -3.410 14.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.704 -4.373 13.232 1.00 0.00 H new ATOM 553 N MET A 35 -9.050 0.086 8.163 1.00 0.00 N ATOM 554 CA MET A 35 -7.600 0.445 8.082 1.00 0.00 C ATOM 555 C MET A 35 -7.462 1.944 7.794 1.00 0.00 C ATOM 556 O MET A 35 -6.661 2.615 8.412 1.00 0.00 O ATOM 557 CB MET A 35 -6.920 -0.396 6.975 1.00 0.00 C ATOM 558 CG MET A 35 -5.700 -1.140 7.521 1.00 0.00 C ATOM 559 SD MET A 35 -4.735 -1.808 6.138 1.00 0.00 S ATOM 560 CE MET A 35 -5.146 -3.556 6.371 1.00 0.00 C ATOM 0 H MET A 35 -9.446 -0.319 7.315 1.00 0.00 H new ATOM 0 HA MET A 35 -7.109 0.228 9.030 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.634 -1.112 6.567 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.616 0.254 6.155 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.085 -0.465 8.116 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.018 -1.947 8.181 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.645 -4.152 5.609 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.817 -3.879 7.359 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.224 -3.691 6.286 1.00 0.00 H new ATOM 570 N CYS A 36 -8.217 2.504 6.881 1.00 0.00 N ATOM 571 CA CYS A 36 -8.053 3.959 6.650 1.00 0.00 C ATOM 572 C CYS A 36 -8.478 4.658 7.940 1.00 0.00 C ATOM 573 O CYS A 36 -8.431 5.867 8.050 1.00 0.00 O ATOM 574 CB CYS A 36 -8.890 4.428 5.456 1.00 0.00 C ATOM 575 SG CYS A 36 -7.923 4.255 3.938 1.00 0.00 S ATOM 0 H CYS A 36 -8.915 2.031 6.307 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.018 4.200 6.406 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.805 3.840 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.189 5.467 5.593 1.00 0.00 H new ATOM 580 N SER A 37 -8.892 3.904 8.918 1.00 0.00 N ATOM 581 CA SER A 37 -9.323 4.531 10.206 1.00 0.00 C ATOM 582 C SER A 37 -8.102 4.877 11.080 1.00 0.00 C ATOM 583 O SER A 37 -8.242 5.557 12.078 1.00 0.00 O ATOM 584 CB SER A 37 -10.225 3.558 10.965 1.00 0.00 C ATOM 585 OG SER A 37 -11.155 2.978 10.061 1.00 0.00 O ATOM 0 H SER A 37 -8.952 2.886 8.886 1.00 0.00 H new ATOM 0 HA SER A 37 -9.865 5.450 9.982 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.625 2.780 11.436 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.753 4.080 11.763 1.00 0.00 H new ATOM 0 HG SER A 37 -11.908 2.602 10.563 1.00 0.00 H new ATOM 591 N LYS A 38 -6.913 4.417 10.749 1.00 0.00 N ATOM 592 CA LYS A 38 -5.723 4.740 11.617 1.00 0.00 C ATOM 593 C LYS A 38 -4.988 6.000 11.105 1.00 0.00 C ATOM 594 O LYS A 38 -3.987 6.403 11.665 1.00 0.00 O ATOM 595 CB LYS A 38 -4.749 3.541 11.655 1.00 0.00 C ATOM 596 CG LYS A 38 -5.516 2.220 11.547 1.00 0.00 C ATOM 597 CD LYS A 38 -6.568 2.125 12.656 1.00 0.00 C ATOM 598 CE LYS A 38 -7.020 0.668 12.813 1.00 0.00 C ATOM 599 NZ LYS A 38 -5.995 -0.089 13.585 1.00 0.00 N ATOM 0 H LYS A 38 -6.715 3.842 9.930 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.085 4.940 12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.034 3.620 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.176 3.560 12.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.998 2.150 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.823 1.382 11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.155 2.491 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.423 2.758 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.981 0.627 13.326 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.163 0.213 11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.891 -1.042 13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.084 0.409 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.294 -0.163 14.578 1.00 0.00 H new ATOM 613 N LEU A 39 -5.478 6.635 10.063 1.00 0.00 N ATOM 614 CA LEU A 39 -4.813 7.881 9.532 1.00 0.00 C ATOM 615 C LEU A 39 -5.680 9.105 9.919 1.00 0.00 C ATOM 616 O LEU A 39 -6.890 9.011 9.861 1.00 0.00 O ATOM 617 CB LEU A 39 -4.723 7.788 8.004 1.00 0.00 C ATOM 618 CG LEU A 39 -3.956 6.517 7.598 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.997 6.364 6.076 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.488 6.608 8.057 1.00 0.00 C ATOM 0 H LEU A 39 -6.313 6.346 9.553 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.812 7.983 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.724 7.772 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.219 8.669 7.607 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.425 5.656 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.454 5.464 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.033 6.285 5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.533 7.233 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.958 5.702 7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.014 7.473 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.452 6.714 9.141 1.00 0.00 H new ATOM 632 N PRO A 40 -5.072 10.224 10.302 1.00 0.00 N ATOM 633 CA PRO A 40 -5.851 11.424 10.679 1.00 0.00 C ATOM 634 C PRO A 40 -6.998 11.647 9.669 1.00 0.00 C ATOM 635 O PRO A 40 -6.974 11.120 8.574 1.00 0.00 O ATOM 636 CB PRO A 40 -4.810 12.572 10.690 1.00 0.00 C ATOM 637 CG PRO A 40 -3.400 11.914 10.629 1.00 0.00 C ATOM 638 CD PRO A 40 -3.602 10.403 10.390 1.00 0.00 C ATOM 0 HA PRO A 40 -6.341 11.344 11.649 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.961 13.237 9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.914 13.177 11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.807 12.353 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.856 12.086 11.558 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.109 10.079 9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.180 9.814 11.205 1.00 0.00 H new ATOM 646 N LYS A 41 -8.018 12.393 10.035 1.00 0.00 N ATOM 647 CA LYS A 41 -9.165 12.603 9.098 1.00 0.00 C ATOM 648 C LYS A 41 -8.743 13.364 7.837 1.00 0.00 C ATOM 649 O LYS A 41 -9.421 13.337 6.830 1.00 0.00 O ATOM 650 CB LYS A 41 -10.305 13.346 9.800 1.00 0.00 C ATOM 651 CG LYS A 41 -11.613 13.115 9.029 1.00 0.00 C ATOM 652 CD LYS A 41 -12.719 14.018 9.591 1.00 0.00 C ATOM 653 CE LYS A 41 -12.955 13.703 11.072 1.00 0.00 C ATOM 654 NZ LYS A 41 -12.887 12.230 11.292 1.00 0.00 N ATOM 0 H LYS A 41 -8.103 12.861 10.937 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.514 11.617 8.791 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.407 12.993 10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.083 14.412 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.463 13.326 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.911 12.069 9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.439 15.065 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.641 13.870 9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.207 14.206 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.928 14.082 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.410 11.984 12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.310 11.738 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.894 11.940 11.394 1.00 0.00 H new ATOM 668 N SER A 42 -7.683 14.121 7.913 1.00 0.00 N ATOM 669 CA SER A 42 -7.293 14.973 6.751 1.00 0.00 C ATOM 670 C SER A 42 -6.668 14.184 5.606 1.00 0.00 C ATOM 671 O SER A 42 -6.379 14.697 4.545 1.00 0.00 O ATOM 672 CB SER A 42 -6.320 16.056 7.215 1.00 0.00 C ATOM 673 OG SER A 42 -5.165 15.442 7.769 1.00 0.00 O ATOM 0 H SER A 42 -7.071 14.187 8.726 1.00 0.00 H new ATOM 0 HA SER A 42 -8.211 15.416 6.364 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.040 16.694 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.797 16.696 7.957 1.00 0.00 H new ATOM 0 HG SER A 42 -4.538 16.134 8.066 1.00 0.00 H new ATOM 679 N LEU A 43 -6.422 12.932 5.864 1.00 0.00 N ATOM 680 CA LEU A 43 -5.766 12.026 4.880 1.00 0.00 C ATOM 681 C LEU A 43 -6.790 10.966 4.473 1.00 0.00 C ATOM 682 O LEU A 43 -6.548 10.144 3.611 1.00 0.00 O ATOM 683 CB LEU A 43 -4.576 11.373 5.633 1.00 0.00 C ATOM 684 CG LEU A 43 -3.238 11.746 5.001 1.00 0.00 C ATOM 685 CD1 LEU A 43 -3.104 13.279 4.814 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.082 11.216 5.868 1.00 0.00 C ATOM 0 H LEU A 43 -6.657 12.483 6.749 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.416 12.541 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.587 11.689 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.692 10.289 5.628 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.193 11.285 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.139 13.507 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.903 13.638 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.176 13.771 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.130 11.486 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.143 11.655 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.153 10.131 5.945 1.00 0.00 H new ATOM 698 N SER A 44 -7.915 10.988 5.106 1.00 0.00 N ATOM 699 CA SER A 44 -8.993 9.998 4.809 1.00 0.00 C ATOM 700 C SER A 44 -9.083 9.712 3.307 1.00 0.00 C ATOM 701 O SER A 44 -8.958 8.597 2.843 1.00 0.00 O ATOM 702 CB SER A 44 -10.330 10.567 5.284 1.00 0.00 C ATOM 703 OG SER A 44 -11.381 9.703 4.872 1.00 0.00 O ATOM 0 H SER A 44 -8.148 11.662 5.835 1.00 0.00 H new ATOM 0 HA SER A 44 -8.761 9.067 5.326 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.331 10.667 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.481 11.565 4.872 1.00 0.00 H new ATOM 0 HG SER A 44 -12.240 10.064 5.176 1.00 0.00 H new ATOM 709 N GLU A 45 -9.469 10.735 2.589 1.00 0.00 N ATOM 710 CA GLU A 45 -9.795 10.660 1.133 1.00 0.00 C ATOM 711 C GLU A 45 -8.755 10.102 0.167 1.00 0.00 C ATOM 712 O GLU A 45 -9.013 9.172 -0.572 1.00 0.00 O ATOM 713 CB GLU A 45 -10.082 12.089 0.670 1.00 0.00 C ATOM 714 CG GLU A 45 -11.246 12.673 1.474 1.00 0.00 C ATOM 715 CD GLU A 45 -11.491 14.118 1.037 1.00 0.00 C ATOM 716 OE1 GLU A 45 -11.870 14.314 -0.105 1.00 0.00 O ATOM 717 OE2 GLU A 45 -11.293 15.003 1.853 1.00 0.00 O ATOM 0 H GLU A 45 -9.577 11.672 2.978 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.617 9.946 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.194 12.707 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.324 12.095 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.145 12.077 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.020 12.637 2.540 1.00 0.00 H new ATOM 724 N GLU A 46 -7.587 10.660 0.165 1.00 0.00 N ATOM 725 CA GLU A 46 -6.537 10.164 -0.752 1.00 0.00 C ATOM 726 C GLU A 46 -6.333 8.675 -0.519 1.00 0.00 C ATOM 727 O GLU A 46 -5.858 7.967 -1.379 1.00 0.00 O ATOM 728 CB GLU A 46 -5.238 10.916 -0.482 1.00 0.00 C ATOM 729 CG GLU A 46 -5.414 12.387 -0.870 1.00 0.00 C ATOM 730 CD GLU A 46 -6.278 13.090 0.177 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.086 12.822 1.352 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.119 13.885 -0.212 1.00 0.00 O ATOM 0 H GLU A 46 -7.312 11.441 0.761 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.838 10.328 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.970 10.836 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.422 10.473 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.442 12.874 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.881 12.462 -1.852 1.00 0.00 H new ATOM 739 N CYS A 47 -6.703 8.186 0.624 1.00 0.00 N ATOM 740 CA CYS A 47 -6.542 6.733 0.884 1.00 0.00 C ATOM 741 C CYS A 47 -7.689 5.989 0.200 1.00 0.00 C ATOM 742 O CYS A 47 -7.495 4.965 -0.424 1.00 0.00 O ATOM 743 CB CYS A 47 -6.559 6.491 2.408 1.00 0.00 C ATOM 744 SG CYS A 47 -8.214 6.009 2.983 1.00 0.00 S ATOM 0 H CYS A 47 -7.109 8.726 1.389 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.595 6.368 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.842 5.710 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.241 7.396 2.925 1.00 0.00 H new ATOM 749 N GLN A 48 -8.880 6.496 0.312 1.00 0.00 N ATOM 750 CA GLN A 48 -10.031 5.812 -0.330 1.00 0.00 C ATOM 751 C GLN A 48 -9.718 5.576 -1.804 1.00 0.00 C ATOM 752 O GLN A 48 -10.016 4.535 -2.356 1.00 0.00 O ATOM 753 CB GLN A 48 -11.281 6.684 -0.213 1.00 0.00 C ATOM 754 CG GLN A 48 -11.777 6.674 1.232 1.00 0.00 C ATOM 755 CD GLN A 48 -12.990 7.598 1.363 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.200 8.466 0.538 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.803 7.447 2.372 1.00 0.00 N ATOM 0 H GLN A 48 -9.107 7.352 0.819 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.208 4.859 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.056 7.704 -0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.060 6.312 -0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.046 5.660 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.983 7.002 1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.627 6.719 3.064 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.615 8.057 2.469 1.00 0.00 H new ATOM 766 N GLU A 49 -9.134 6.545 -2.454 1.00 0.00 N ATOM 767 CA GLU A 49 -8.819 6.390 -3.897 1.00 0.00 C ATOM 768 C GLU A 49 -7.719 5.343 -4.101 1.00 0.00 C ATOM 769 O GLU A 49 -7.778 4.543 -5.014 1.00 0.00 O ATOM 770 CB GLU A 49 -8.357 7.736 -4.462 1.00 0.00 C ATOM 771 CG GLU A 49 -7.919 7.561 -5.917 1.00 0.00 C ATOM 772 CD GLU A 49 -7.755 8.934 -6.570 1.00 0.00 C ATOM 773 OE1 GLU A 49 -7.142 9.791 -5.955 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.246 9.105 -7.674 1.00 0.00 O ATOM 0 H GLU A 49 -8.862 7.439 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.716 6.057 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.166 8.464 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.531 8.127 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.979 7.011 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.658 6.973 -6.462 1.00 0.00 H new ATOM 781 N VAL A 50 -6.718 5.332 -3.257 1.00 0.00 N ATOM 782 CA VAL A 50 -5.634 4.324 -3.418 1.00 0.00 C ATOM 783 C VAL A 50 -6.185 2.942 -3.089 1.00 0.00 C ATOM 784 O VAL A 50 -6.024 2.002 -3.841 1.00 0.00 O ATOM 785 CB VAL A 50 -4.458 4.617 -2.475 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.324 3.624 -2.754 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.947 6.053 -2.695 1.00 0.00 C ATOM 0 H VAL A 50 -6.607 5.973 -2.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.279 4.367 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.794 4.514 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.488 3.830 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.681 2.608 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.996 3.727 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.113 6.250 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.614 6.167 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.751 6.760 -2.493 1.00 0.00 H new ATOM 797 N VAL A 51 -6.802 2.797 -1.944 1.00 0.00 N ATOM 798 CA VAL A 51 -7.319 1.462 -1.549 1.00 0.00 C ATOM 799 C VAL A 51 -8.349 0.970 -2.575 1.00 0.00 C ATOM 800 O VAL A 51 -8.272 -0.134 -3.076 1.00 0.00 O ATOM 801 CB VAL A 51 -7.897 1.534 -0.129 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.302 0.144 0.343 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.846 2.103 0.831 1.00 0.00 C ATOM 0 H VAL A 51 -6.967 3.545 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.506 0.736 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.773 2.182 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.711 0.207 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.057 -0.263 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.429 -0.508 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.261 2.152 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.967 1.458 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.561 3.104 0.507 1.00 0.00 H new ATOM 813 N ASP A 52 -9.350 1.770 -2.832 1.00 0.00 N ATOM 814 CA ASP A 52 -10.446 1.360 -3.759 1.00 0.00 C ATOM 815 C ASP A 52 -9.945 1.123 -5.184 1.00 0.00 C ATOM 816 O ASP A 52 -10.360 0.194 -5.849 1.00 0.00 O ATOM 817 CB ASP A 52 -11.509 2.464 -3.782 1.00 0.00 C ATOM 818 CG ASP A 52 -12.005 2.725 -2.358 1.00 0.00 C ATOM 819 OD1 ASP A 52 -12.019 1.788 -1.576 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.361 3.856 -2.074 1.00 0.00 O ATOM 0 H ASP A 52 -9.456 2.703 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.858 0.419 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.091 3.377 -4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.342 2.168 -4.420 1.00 0.00 H new ATOM 825 N THR A 53 -9.080 1.966 -5.671 1.00 0.00 N ATOM 826 CA THR A 53 -8.579 1.803 -7.065 1.00 0.00 C ATOM 827 C THR A 53 -7.375 0.869 -7.106 1.00 0.00 C ATOM 828 O THR A 53 -7.241 0.083 -8.023 1.00 0.00 O ATOM 829 CB THR A 53 -8.177 3.174 -7.615 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.249 4.089 -7.426 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.860 3.059 -9.106 1.00 0.00 C ATOM 0 H THR A 53 -8.697 2.763 -5.163 1.00 0.00 H new ATOM 0 HA THR A 53 -9.372 1.369 -7.673 1.00 0.00 H new ATOM 0 HB THR A 53 -7.293 3.532 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.128 4.563 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.574 4.037 -9.494 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.038 2.357 -9.250 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.741 2.701 -9.639 1.00 0.00 H new ATOM 839 N TYR A 54 -6.481 0.956 -6.152 1.00 0.00 N ATOM 840 CA TYR A 54 -5.266 0.080 -6.182 1.00 0.00 C ATOM 841 C TYR A 54 -5.284 -0.978 -5.073 1.00 0.00 C ATOM 842 O TYR A 54 -4.261 -1.358 -4.544 1.00 0.00 O ATOM 843 CB TYR A 54 -4.024 0.947 -6.036 1.00 0.00 C ATOM 844 CG TYR A 54 -3.877 1.826 -7.256 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.494 3.076 -7.284 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.121 1.395 -8.352 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.365 3.902 -8.401 1.00 0.00 C ATOM 848 CE2 TYR A 54 -2.987 2.222 -9.476 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.609 3.477 -9.500 1.00 0.00 C ATOM 850 OH TYR A 54 -3.477 4.292 -10.606 1.00 0.00 O ATOM 0 H TYR A 54 -6.538 1.592 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.259 -0.447 -7.136 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.100 1.561 -5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.141 0.319 -5.919 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.075 3.407 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.642 0.427 -8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.848 4.868 -8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.404 1.892 -10.323 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.919 3.845 -11.277 1.00 0.00 H new ATOM 860 N GLY A 55 -6.450 -1.420 -4.686 1.00 0.00 N ATOM 861 CA GLY A 55 -6.551 -2.412 -3.577 1.00 0.00 C ATOM 862 C GLY A 55 -6.266 -3.834 -4.061 1.00 0.00 C ATOM 863 O GLY A 55 -5.435 -4.523 -3.503 1.00 0.00 O ATOM 0 H GLY A 55 -7.341 -1.135 -5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.847 -2.148 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.549 -2.369 -3.141 1.00 0.00 H new ATOM 867 N SER A 56 -6.954 -4.304 -5.066 1.00 0.00 N ATOM 868 CA SER A 56 -6.704 -5.697 -5.517 1.00 0.00 C ATOM 869 C SER A 56 -5.315 -5.807 -6.128 1.00 0.00 C ATOM 870 O SER A 56 -4.711 -6.861 -6.147 1.00 0.00 O ATOM 871 CB SER A 56 -7.738 -6.119 -6.559 1.00 0.00 C ATOM 872 OG SER A 56 -9.003 -5.568 -6.220 1.00 0.00 O ATOM 0 H SER A 56 -7.667 -3.791 -5.585 1.00 0.00 H new ATOM 0 HA SER A 56 -6.779 -6.352 -4.649 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.434 -5.777 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.803 -7.206 -6.603 1.00 0.00 H new ATOM 0 HG SER A 56 -9.667 -5.837 -6.889 1.00 0.00 H new ATOM 878 N SER A 57 -4.833 -4.734 -6.697 1.00 0.00 N ATOM 879 CA SER A 57 -3.518 -4.804 -7.384 1.00 0.00 C ATOM 880 C SER A 57 -2.367 -4.830 -6.380 1.00 0.00 C ATOM 881 O SER A 57 -1.491 -5.663 -6.462 1.00 0.00 O ATOM 882 CB SER A 57 -3.357 -3.640 -8.359 1.00 0.00 C ATOM 883 OG SER A 57 -3.387 -2.416 -7.637 1.00 0.00 O ATOM 0 H SER A 57 -5.290 -3.822 -6.714 1.00 0.00 H new ATOM 0 HA SER A 57 -3.487 -5.735 -7.950 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.416 -3.733 -8.902 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.156 -3.658 -9.100 1.00 0.00 H new ATOM 0 HG SER A 57 -3.282 -1.666 -8.259 1.00 0.00 H new ATOM 889 N ILE A 58 -2.385 -3.964 -5.400 1.00 0.00 N ATOM 890 CA ILE A 58 -1.307 -3.987 -4.373 1.00 0.00 C ATOM 891 C ILE A 58 -1.284 -5.370 -3.740 1.00 0.00 C ATOM 892 O ILE A 58 -0.284 -6.059 -3.700 1.00 0.00 O ATOM 893 CB ILE A 58 -1.608 -2.951 -3.275 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.400 -1.536 -3.830 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.666 -3.180 -2.076 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.894 -0.500 -2.811 1.00 0.00 C ATOM 0 H ILE A 58 -3.097 -3.246 -5.269 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.350 -3.753 -4.839 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.642 -3.062 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.344 -1.372 -4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.940 -1.421 -4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.880 -2.446 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.820 -4.183 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.369 -3.073 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.744 0.503 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.955 -0.658 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.335 -0.608 -1.882 1.00 0.00 H new ATOM 908 N LEU A 59 -2.418 -5.747 -3.232 1.00 0.00 N ATOM 909 CA LEU A 59 -2.572 -7.055 -2.563 1.00 0.00 C ATOM 910 C LEU A 59 -2.220 -8.169 -3.543 1.00 0.00 C ATOM 911 O LEU A 59 -1.850 -9.248 -3.137 1.00 0.00 O ATOM 912 CB LEU A 59 -4.028 -7.181 -2.096 1.00 0.00 C ATOM 913 CG LEU A 59 -4.306 -8.580 -1.529 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.283 -8.913 -0.431 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.731 -8.626 -0.938 1.00 0.00 C ATOM 0 H LEU A 59 -3.268 -5.183 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.906 -7.134 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.236 -6.429 -1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.700 -6.983 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.221 -9.313 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.487 -9.907 -0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.278 -8.889 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.358 -8.179 0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.926 -9.620 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.818 -7.888 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.457 -8.402 -1.720 1.00 0.00 H new ATOM 927 N SER A 60 -2.341 -7.958 -4.830 1.00 0.00 N ATOM 928 CA SER A 60 -2.014 -9.078 -5.763 1.00 0.00 C ATOM 929 C SER A 60 -0.497 -9.142 -5.977 1.00 0.00 C ATOM 930 O SER A 60 0.085 -10.198 -6.127 1.00 0.00 O ATOM 931 CB SER A 60 -2.718 -8.847 -7.096 1.00 0.00 C ATOM 932 OG SER A 60 -2.216 -9.763 -8.061 1.00 0.00 O ATOM 0 H SER A 60 -2.643 -7.086 -5.265 1.00 0.00 H new ATOM 0 HA SER A 60 -2.353 -10.022 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.794 -8.978 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.557 -7.823 -7.432 1.00 0.00 H new ATOM 0 HG SER A 60 -2.669 -9.617 -8.918 1.00 0.00 H new ATOM 938 N ILE A 61 0.138 -7.994 -5.998 1.00 0.00 N ATOM 939 CA ILE A 61 1.617 -7.929 -6.210 1.00 0.00 C ATOM 940 C ILE A 61 2.358 -8.506 -5.000 1.00 0.00 C ATOM 941 O ILE A 61 3.269 -9.299 -5.133 1.00 0.00 O ATOM 942 CB ILE A 61 2.036 -6.455 -6.365 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.121 -5.728 -7.410 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.520 -6.391 -6.760 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.920 -5.167 -8.595 1.00 0.00 C ATOM 0 H ILE A 61 -0.314 -7.088 -5.875 1.00 0.00 H new ATOM 0 HA ILE A 61 1.867 -8.505 -7.101 1.00 0.00 H new ATOM 0 HB ILE A 61 1.909 -5.934 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.370 -6.426 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.586 -4.915 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.822 -5.350 -6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.124 -6.863 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.668 -6.915 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.241 -4.673 -9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.653 -4.447 -8.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.433 -5.982 -9.106 1.00 0.00 H new ATOM 957 N LEU A 62 1.998 -8.075 -3.825 1.00 0.00 N ATOM 958 CA LEU A 62 2.698 -8.549 -2.601 1.00 0.00 C ATOM 959 C LEU A 62 2.660 -10.083 -2.532 1.00 0.00 C ATOM 960 O LEU A 62 3.551 -10.710 -1.997 1.00 0.00 O ATOM 961 CB LEU A 62 2.005 -7.919 -1.370 1.00 0.00 C ATOM 962 CG LEU A 62 2.939 -6.908 -0.676 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.112 -5.942 0.182 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.941 -7.670 0.199 1.00 0.00 C ATOM 0 H LEU A 62 1.243 -7.410 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 62 3.745 -8.246 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.087 -7.420 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.721 -8.702 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 62 3.481 -6.331 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.776 -5.229 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.407 -5.405 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.564 -6.505 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.605 -6.961 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.402 -8.247 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.529 -8.344 -0.424 1.00 0.00 H new ATOM 976 N LEU A 63 1.633 -10.687 -3.056 1.00 0.00 N ATOM 977 CA LEU A 63 1.540 -12.173 -3.006 1.00 0.00 C ATOM 978 C LEU A 63 2.439 -12.817 -4.061 1.00 0.00 C ATOM 979 O LEU A 63 2.680 -14.008 -4.028 1.00 0.00 O ATOM 980 CB LEU A 63 0.088 -12.610 -3.203 1.00 0.00 C ATOM 981 CG LEU A 63 -0.778 -12.035 -2.077 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.239 -12.427 -2.317 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.307 -12.578 -0.714 1.00 0.00 C ATOM 0 H LEU A 63 0.853 -10.218 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 63 1.883 -12.506 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.278 -12.265 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.022 -13.698 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.686 -10.949 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.861 -12.021 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.571 -12.026 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.327 -13.513 -2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.930 -12.162 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.389 -13.665 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.731 -12.291 -0.547 1.00 0.00 H new ATOM 995 N GLU A 64 2.955 -12.058 -4.989 1.00 0.00 N ATOM 996 CA GLU A 64 3.849 -12.663 -6.016 1.00 0.00 C ATOM 997 C GLU A 64 5.264 -12.694 -5.445 1.00 0.00 C ATOM 998 O GLU A 64 6.203 -13.064 -6.120 1.00 0.00 O ATOM 999 CB GLU A 64 3.808 -11.842 -7.306 1.00 0.00 C ATOM 1000 CG GLU A 64 2.511 -12.140 -8.063 1.00 0.00 C ATOM 1001 CD GLU A 64 2.564 -13.560 -8.632 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.581 -13.908 -9.209 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.588 -14.274 -8.481 1.00 0.00 O ATOM 0 H GLU A 64 2.798 -11.054 -5.080 1.00 0.00 H new ATOM 0 HA GLU A 64 3.520 -13.674 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.870 -10.779 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.669 -12.083 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.656 -12.037 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.375 -11.419 -8.869 1.00 0.00 H new ATOM 1010 N GLU A 65 5.411 -12.335 -4.190 1.00 0.00 N ATOM 1011 CA GLU A 65 6.762 -12.377 -3.543 1.00 0.00 C ATOM 1012 C GLU A 65 7.638 -11.206 -4.008 1.00 0.00 C ATOM 1013 O GLU A 65 8.850 -11.298 -4.045 1.00 0.00 O ATOM 1014 CB GLU A 65 7.454 -13.706 -3.951 1.00 0.00 C ATOM 1015 CG GLU A 65 8.330 -14.216 -2.804 1.00 0.00 C ATOM 1016 CD GLU A 65 9.162 -15.407 -3.283 1.00 0.00 C ATOM 1017 OE1 GLU A 65 9.648 -15.353 -4.401 1.00 0.00 O ATOM 1018 OE2 GLU A 65 9.298 -16.353 -2.525 1.00 0.00 O ATOM 0 H GLU A 65 4.654 -12.015 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 65 6.638 -12.307 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.702 -14.453 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.062 -13.550 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.986 -13.420 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.706 -14.511 -1.960 1.00 0.00 H new ATOM 1025 N VAL A 66 7.030 -10.097 -4.334 1.00 0.00 N ATOM 1026 CA VAL A 66 7.815 -8.896 -4.766 1.00 0.00 C ATOM 1027 C VAL A 66 8.118 -8.057 -3.513 1.00 0.00 C ATOM 1028 O VAL A 66 7.312 -7.967 -2.607 1.00 0.00 O ATOM 1029 CB VAL A 66 6.967 -8.094 -5.782 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.307 -6.597 -5.728 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.234 -8.616 -7.202 1.00 0.00 C ATOM 0 H VAL A 66 6.018 -9.967 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 66 8.753 -9.177 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 66 5.916 -8.224 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.696 -6.059 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.106 -6.214 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.361 -6.455 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.636 -8.050 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.291 -8.498 -7.440 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.965 -9.671 -7.259 1.00 0.00 H new ATOM 1041 N SER A 67 9.274 -7.443 -3.455 1.00 0.00 N ATOM 1042 CA SER A 67 9.624 -6.616 -2.261 1.00 0.00 C ATOM 1043 C SER A 67 8.476 -5.615 -1.990 1.00 0.00 C ATOM 1044 O SER A 67 7.763 -5.262 -2.906 1.00 0.00 O ATOM 1045 CB SER A 67 10.946 -5.874 -2.528 1.00 0.00 C ATOM 1046 OG SER A 67 11.761 -5.932 -1.365 1.00 0.00 O ATOM 0 H SER A 67 9.989 -7.479 -4.182 1.00 0.00 H new ATOM 0 HA SER A 67 9.753 -7.249 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.466 -6.326 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.746 -4.836 -2.795 1.00 0.00 H new ATOM 0 HG SER A 67 12.604 -5.462 -1.533 1.00 0.00 H new ATOM 1052 N PRO A 68 8.306 -5.194 -0.749 1.00 0.00 N ATOM 1053 CA PRO A 68 7.218 -4.254 -0.403 1.00 0.00 C ATOM 1054 C PRO A 68 7.423 -2.859 -1.031 1.00 0.00 C ATOM 1055 O PRO A 68 6.481 -2.242 -1.482 1.00 0.00 O ATOM 1056 CB PRO A 68 7.262 -4.157 1.143 1.00 0.00 C ATOM 1057 CG PRO A 68 8.573 -4.841 1.610 1.00 0.00 C ATOM 1058 CD PRO A 68 9.147 -5.608 0.401 1.00 0.00 C ATOM 0 HA PRO A 68 6.260 -4.607 -0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.236 -3.116 1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.394 -4.648 1.584 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.287 -4.099 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.377 -5.521 2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.195 -5.357 0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.099 -6.686 0.558 1.00 0.00 H new ATOM 1066 N GLU A 69 8.620 -2.330 -1.023 1.00 0.00 N ATOM 1067 CA GLU A 69 8.814 -0.953 -1.579 1.00 0.00 C ATOM 1068 C GLU A 69 8.834 -0.967 -3.110 1.00 0.00 C ATOM 1069 O GLU A 69 8.681 0.065 -3.753 1.00 0.00 O ATOM 1070 CB GLU A 69 10.118 -0.346 -1.040 1.00 0.00 C ATOM 1071 CG GLU A 69 11.299 -1.292 -1.281 1.00 0.00 C ATOM 1072 CD GLU A 69 12.533 -0.757 -0.550 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.900 0.379 -0.802 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.089 -1.492 0.248 1.00 0.00 O ATOM 0 H GLU A 69 9.460 -2.782 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 69 7.972 -0.339 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.307 0.611 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.018 -0.147 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.057 -2.293 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.502 -1.374 -2.349 1.00 0.00 H new ATOM 1081 N LEU A 70 8.979 -2.109 -3.725 1.00 0.00 N ATOM 1082 CA LEU A 70 8.971 -2.113 -5.210 1.00 0.00 C ATOM 1083 C LEU A 70 7.526 -1.862 -5.649 1.00 0.00 C ATOM 1084 O LEU A 70 7.252 -1.545 -6.790 1.00 0.00 O ATOM 1085 CB LEU A 70 9.507 -3.450 -5.752 1.00 0.00 C ATOM 1086 CG LEU A 70 11.036 -3.517 -5.619 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.528 -4.902 -6.068 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.719 -2.426 -6.473 1.00 0.00 C ATOM 0 H LEU A 70 9.100 -3.017 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 70 9.624 -1.337 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.053 -4.277 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.223 -3.564 -6.798 1.00 0.00 H new ATOM 0 HG LEU A 70 11.297 -3.347 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.613 -4.951 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.075 -5.670 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.246 -5.069 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.801 -2.498 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.455 -2.566 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.384 -1.443 -6.143 1.00 0.00 H new ATOM 1100 N VAL A 71 6.596 -2.032 -4.740 1.00 0.00 N ATOM 1101 CA VAL A 71 5.159 -1.835 -5.087 1.00 0.00 C ATOM 1102 C VAL A 71 4.896 -0.372 -5.452 1.00 0.00 C ATOM 1103 O VAL A 71 4.356 -0.087 -6.499 1.00 0.00 O ATOM 1104 CB VAL A 71 4.265 -2.260 -3.898 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.850 -1.650 -4.006 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.160 -3.788 -3.863 1.00 0.00 C ATOM 0 H VAL A 71 6.774 -2.299 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 71 4.917 -2.456 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 71 4.723 -1.891 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.250 -1.970 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.922 -0.562 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.378 -1.987 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.531 -4.090 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.720 -4.144 -4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.154 -4.218 -3.743 1.00 0.00 H new ATOM 1116 N CYS A 72 5.219 0.560 -4.605 1.00 0.00 N ATOM 1117 CA CYS A 72 4.903 1.968 -4.955 1.00 0.00 C ATOM 1118 C CYS A 72 5.687 2.402 -6.203 1.00 0.00 C ATOM 1119 O CYS A 72 5.254 3.248 -6.960 1.00 0.00 O ATOM 1120 CB CYS A 72 5.241 2.878 -3.758 1.00 0.00 C ATOM 1121 SG CYS A 72 4.119 4.289 -3.709 1.00 0.00 S ATOM 0 H CYS A 72 5.678 0.414 -3.706 1.00 0.00 H new ATOM 0 HA CYS A 72 3.840 2.053 -5.181 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.166 2.312 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.271 3.226 -3.836 1.00 0.00 H new ATOM 1126 N SER A 73 6.838 1.812 -6.423 1.00 0.00 N ATOM 1127 CA SER A 73 7.644 2.181 -7.630 1.00 0.00 C ATOM 1128 C SER A 73 7.081 1.516 -8.910 1.00 0.00 C ATOM 1129 O SER A 73 7.051 2.126 -9.959 1.00 0.00 O ATOM 1130 CB SER A 73 9.097 1.757 -7.429 1.00 0.00 C ATOM 1131 OG SER A 73 9.929 2.499 -8.311 1.00 0.00 O ATOM 0 H SER A 73 7.251 1.097 -5.825 1.00 0.00 H new ATOM 0 HA SER A 73 7.588 3.262 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.398 1.929 -6.396 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.206 0.689 -7.620 1.00 0.00 H new ATOM 0 HG SER A 73 10.863 2.230 -8.183 1.00 0.00 H new ATOM 1137 N MET A 74 6.642 0.280 -8.843 1.00 0.00 N ATOM 1138 CA MET A 74 6.095 -0.393 -10.075 1.00 0.00 C ATOM 1139 C MET A 74 4.718 0.190 -10.449 1.00 0.00 C ATOM 1140 O MET A 74 4.433 0.403 -11.611 1.00 0.00 O ATOM 1141 CB MET A 74 5.958 -1.925 -9.824 1.00 0.00 C ATOM 1142 CG MET A 74 7.152 -2.704 -10.409 1.00 0.00 C ATOM 1143 SD MET A 74 6.702 -4.452 -10.611 1.00 0.00 S ATOM 1144 CE MET A 74 5.861 -4.702 -9.025 1.00 0.00 C ATOM 0 H MET A 74 6.637 -0.291 -7.998 1.00 0.00 H new ATOM 0 HA MET A 74 6.787 -0.216 -10.899 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.889 -2.114 -8.753 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.032 -2.286 -10.272 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.440 -2.279 -11.371 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.015 -2.615 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.839 -5.766 -8.789 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.397 -4.167 -8.241 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.841 -4.324 -9.091 1.00 0.00 H new ATOM 1154 N LEU A 75 3.856 0.439 -9.501 1.00 0.00 N ATOM 1155 CA LEU A 75 2.513 0.989 -9.861 1.00 0.00 C ATOM 1156 C LEU A 75 2.649 2.451 -10.310 1.00 0.00 C ATOM 1157 O LEU A 75 1.682 3.182 -10.378 1.00 0.00 O ATOM 1158 CB LEU A 75 1.573 0.895 -8.651 1.00 0.00 C ATOM 1159 CG LEU A 75 1.530 -0.548 -8.110 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.437 -0.670 -7.043 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.237 -1.536 -9.249 1.00 0.00 C ATOM 0 H LEU A 75 4.018 0.289 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 75 2.096 0.406 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.911 1.573 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.570 1.212 -8.937 1.00 0.00 H new ATOM 0 HG LEU A 75 2.500 -0.784 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.411 -1.692 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.651 0.016 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.529 -0.421 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.210 -2.551 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.274 -1.296 -9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.019 -1.463 -10.004 1.00 0.00 H new ATOM 1173 N HIS A 76 3.844 2.876 -10.620 1.00 0.00 N ATOM 1174 CA HIS A 76 4.058 4.285 -11.072 1.00 0.00 C ATOM 1175 C HIS A 76 3.387 5.254 -10.092 1.00 0.00 C ATOM 1176 O HIS A 76 3.072 6.372 -10.453 1.00 0.00 O ATOM 1177 CB HIS A 76 3.476 4.476 -12.477 1.00 0.00 C ATOM 1178 CG HIS A 76 4.079 3.460 -13.409 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.493 3.130 -14.621 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.216 2.695 -13.321 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.271 2.202 -15.207 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.334 1.901 -14.457 1.00 0.00 N ATOM 0 H HIS A 76 4.688 2.305 -10.580 1.00 0.00 H new ATOM 0 HA HIS A 76 5.128 4.492 -11.100 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.392 4.365 -12.452 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.685 5.484 -12.835 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.912 2.708 -12.496 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.061 1.755 -16.167 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.074 1.232 -14.671 1.00 0.00 H new ATOM 1190 N LEU A 77 3.159 4.867 -8.869 1.00 0.00 N ATOM 1191 CA LEU A 77 2.508 5.812 -7.914 1.00 0.00 C ATOM 1192 C LEU A 77 3.577 6.696 -7.273 1.00 0.00 C ATOM 1193 O LEU A 77 3.270 7.690 -6.643 1.00 0.00 O ATOM 1194 CB LEU A 77 1.762 5.031 -6.813 1.00 0.00 C ATOM 1195 CG LEU A 77 0.423 4.444 -7.312 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.335 3.884 -6.104 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.456 5.518 -7.991 1.00 0.00 C ATOM 0 H LEU A 77 3.391 3.949 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 77 1.791 6.429 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.397 4.223 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.573 5.692 -5.967 1.00 0.00 H new ATOM 0 HG LEU A 77 0.638 3.668 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.285 3.464 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.261 3.105 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.521 4.685 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.388 5.065 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.675 6.313 -7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.075 5.935 -8.847 1.00 0.00 H new ATOM 1209 N CYS A 78 4.832 6.353 -7.439 1.00 0.00 N ATOM 1210 CA CYS A 78 5.937 7.180 -6.856 1.00 0.00 C ATOM 1211 C CYS A 78 6.938 7.512 -7.975 1.00 0.00 C ATOM 1212 O CYS A 78 7.043 6.790 -8.947 1.00 0.00 O ATOM 1213 CB CYS A 78 6.636 6.390 -5.742 1.00 0.00 C ATOM 1214 SG CYS A 78 7.010 7.486 -4.348 1.00 0.00 S ATOM 0 H CYS A 78 5.141 5.530 -7.957 1.00 0.00 H new ATOM 0 HA CYS A 78 5.537 8.102 -6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.998 5.571 -5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.555 5.945 -6.122 1.00 0.00 H new ATOM 1219 N SER A 79 7.669 8.587 -7.860 1.00 0.00 N ATOM 1220 CA SER A 79 8.640 8.923 -8.938 1.00 0.00 C ATOM 1221 C SER A 79 9.781 7.890 -8.887 1.00 0.00 C ATOM 1222 O SER A 79 10.282 7.619 -7.814 1.00 0.00 O ATOM 1223 CB SER A 79 9.211 10.319 -8.675 1.00 0.00 C ATOM 1224 OG SER A 79 8.154 11.268 -8.687 1.00 0.00 O ATOM 0 H SER A 79 7.637 9.239 -7.077 1.00 0.00 H new ATOM 0 HA SER A 79 8.155 8.907 -9.914 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.723 10.340 -7.713 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.950 10.571 -9.435 1.00 0.00 H new ATOM 0 HG SER A 79 8.516 12.163 -8.517 1.00 0.00 H new ATOM 1230 N GLY A 80 10.227 7.297 -9.981 1.00 0.00 N ATOM 1231 CA GLY A 80 11.342 6.300 -9.871 1.00 0.00 C ATOM 1232 C GLY A 80 12.674 6.987 -10.180 1.00 0.00 C ATOM 1233 O GLY A 80 12.740 8.189 -10.345 1.00 0.00 O ATOM 0 H GLY A 80 9.873 7.459 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.365 5.873 -8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.176 5.476 -10.565 1.00 0.00 H new ATOM 1237 N LEU A 81 13.736 6.232 -10.263 1.00 0.00 N ATOM 1238 CA LEU A 81 15.065 6.837 -10.569 1.00 0.00 C ATOM 1239 C LEU A 81 15.211 6.985 -12.084 1.00 0.00 C ATOM 1240 O LEU A 81 15.771 6.132 -12.744 1.00 0.00 O ATOM 1241 CB LEU A 81 16.179 5.928 -10.040 1.00 0.00 C ATOM 1242 CG LEU A 81 15.849 5.478 -8.614 1.00 0.00 C ATOM 1243 CD1 LEU A 81 16.957 4.553 -8.106 1.00 0.00 C ATOM 1244 CD2 LEU A 81 15.746 6.704 -7.698 1.00 0.00 C ATOM 0 H LEU A 81 13.741 5.220 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 81 15.139 7.814 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.290 5.059 -10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.131 6.459 -10.052 1.00 0.00 H new ATOM 0 HG LEU A 81 14.898 4.945 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.725 4.231 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.029 3.681 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.907 5.087 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.511 6.382 -6.684 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.696 7.239 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.958 7.364 -8.061 1.00 0.00 H new ATOM 1256 N VAL A 82 14.697 8.055 -12.640 1.00 0.00 N ATOM 1257 CA VAL A 82 14.783 8.274 -14.123 1.00 0.00 C ATOM 1258 C VAL A 82 15.640 9.529 -14.418 1.00 0.00 C ATOM 1259 O VAL A 82 15.121 10.626 -14.423 1.00 0.00 O ATOM 1260 CB VAL A 82 13.360 8.459 -14.690 1.00 0.00 C ATOM 1261 CG1 VAL A 82 12.543 9.452 -13.845 1.00 0.00 C ATOM 1262 CG2 VAL A 82 13.436 8.966 -16.136 1.00 0.00 C ATOM 0 H VAL A 82 14.217 8.794 -12.127 1.00 0.00 H new ATOM 0 HA VAL A 82 15.252 7.411 -14.596 1.00 0.00 H new ATOM 0 HB VAL A 82 12.861 7.490 -14.661 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.546 9.559 -14.272 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.462 9.080 -12.824 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.041 10.421 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 82 12.428 9.094 -16.530 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.959 9.922 -16.159 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.975 8.242 -16.747 1.00 0.00 H new ATOM 1272 N PRO A 83 16.930 9.355 -14.652 1.00 0.00 N ATOM 1273 CA PRO A 83 17.813 10.502 -14.938 1.00 0.00 C ATOM 1274 C PRO A 83 17.454 11.098 -16.308 1.00 0.00 C ATOM 1275 O PRO A 83 18.155 11.941 -16.830 1.00 0.00 O ATOM 1276 CB PRO A 83 19.246 9.915 -14.934 1.00 0.00 C ATOM 1277 CG PRO A 83 19.118 8.375 -14.739 1.00 0.00 C ATOM 1278 CD PRO A 83 17.613 8.042 -14.647 1.00 0.00 C ATOM 0 HA PRO A 83 17.715 11.307 -14.210 1.00 0.00 H new ATOM 0 HB2 PRO A 83 19.756 10.142 -15.870 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.839 10.355 -14.132 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.578 7.844 -15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.637 8.059 -13.834 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.293 7.427 -15.488 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.387 7.483 -13.739 1.00 0.00 H new ATOM 1286 N ARG A 84 16.368 10.665 -16.888 1.00 0.00 N ATOM 1287 CA ARG A 84 15.968 11.208 -18.217 1.00 0.00 C ATOM 1288 C ARG A 84 17.139 11.083 -19.193 1.00 0.00 C ATOM 1289 O ARG A 84 17.965 11.981 -19.216 1.00 0.00 O ATOM 1290 CB ARG A 84 15.583 12.681 -18.068 1.00 0.00 C ATOM 1291 CG ARG A 84 14.940 13.176 -19.364 1.00 0.00 C ATOM 1292 CD ARG A 84 14.610 14.663 -19.235 1.00 0.00 C ATOM 1293 NE ARG A 84 14.024 15.155 -20.514 1.00 0.00 N ATOM 1294 CZ ARG A 84 13.396 16.298 -20.547 1.00 0.00 C ATOM 1295 NH1 ARG A 84 13.282 17.012 -19.461 1.00 0.00 N ATOM 1296 NH2 ARG A 84 12.881 16.727 -21.667 1.00 0.00 N ATOM 1297 OXT ARG A 84 17.191 10.092 -19.902 1.00 0.00 O ATOM 0 H ARG A 84 15.741 9.960 -16.500 1.00 0.00 H new ATOM 0 HA ARG A 84 15.116 10.645 -18.599 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.890 12.804 -17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.466 13.277 -17.838 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.617 13.014 -20.203 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.033 12.608 -19.572 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.908 14.821 -18.416 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.511 15.227 -18.995 1.00 0.00 H new ATOM 0 HE ARG A 84 14.114 14.598 -21.364 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.684 16.677 -18.586 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.791 17.906 -19.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.970 16.169 -22.516 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.390 17.621 -21.693 1.00 0.00 H new TER 1311 ARG A 84