USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 621 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 7 THR OG1 : rot 180:sc= 0.0318 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.113 USER MOD Set 2.1: A 2 SER OG : rot 37:sc= 1.73 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 155:sc= 0.845 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.187 (180deg=-1.16!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -6:sc= -0.539 USER MOD Single : A 13 MET CE :methyl 161:sc= -0.969 (180deg=-1.71!) USER MOD Single : A 18 CYS SG : rot 170:sc= -1.12 USER MOD Single : A 19 GLN : amide:sc= -0.0989 K(o=-0.099,f=-0.64) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -160:sc= -0.747 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.115) USER MOD Single : A 31 ASN : amide:sc= -3.32 X(o=-3.3,f=-3!) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc=-0.00486 (180deg=-0.0373) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -100:sc= -0.0242 USER MOD Single : A 38 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.051) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 55 THR OG1 : rot 77:sc= 0 USER MOD Single : A 56 MET CE :methyl 147:sc= -3.63! (180deg=-4.98!) USER MOD Single : A 57 ASN : amide:sc= -2.22 K(o=-2.2,f=-8.9!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.224 1.978 11.651 1.00 0.00 N ATOM 2 CA MET A 1 11.918 3.369 11.224 1.00 0.00 C ATOM 3 C MET A 1 12.085 3.532 9.718 1.00 0.00 C ATOM 4 O MET A 1 12.348 2.564 9.004 1.00 0.00 O ATOM 5 CB MET A 1 12.855 4.326 11.966 1.00 0.00 C ATOM 6 CG MET A 1 14.328 3.996 11.787 1.00 0.00 C ATOM 7 SD MET A 1 15.008 4.660 10.254 1.00 0.00 S ATOM 8 CE MET A 1 16.634 3.909 10.252 1.00 0.00 C ATOM 0 H1 MET A 1 12.661 1.993 12.595 1.00 0.00 H new ATOM 0 H2 MET A 1 11.345 1.424 11.685 1.00 0.00 H new ATOM 0 H3 MET A 1 12.881 1.543 10.972 1.00 0.00 H new ATOM 0 HA MET A 1 10.880 3.597 11.466 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.674 5.342 11.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.613 4.307 13.029 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.891 4.394 12.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.458 2.914 11.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.179 4.224 9.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.180 4.221 11.142 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.533 2.824 10.250 1.00 0.00 H new ATOM 20 N SER A 2 11.930 4.762 9.239 1.00 0.00 N ATOM 21 CA SER A 2 12.064 5.052 7.816 1.00 0.00 C ATOM 22 C SER A 2 12.215 6.551 7.579 1.00 0.00 C ATOM 23 O SER A 2 13.301 7.032 7.252 1.00 0.00 O ATOM 24 CB SER A 2 10.851 4.522 7.051 1.00 0.00 C ATOM 25 OG SER A 2 11.041 3.173 6.663 1.00 0.00 O ATOM 0 H SER A 2 11.711 5.574 9.816 1.00 0.00 H new ATOM 0 HA SER A 2 12.961 4.553 7.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.961 4.602 7.675 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.678 5.137 6.168 1.00 0.00 H new ATOM 0 HG SER A 2 11.521 2.694 7.370 1.00 0.00 H new ATOM 31 N GLU A 3 11.120 7.285 7.746 1.00 0.00 N ATOM 32 CA GLU A 3 11.130 8.729 7.550 1.00 0.00 C ATOM 33 C GLU A 3 11.247 9.459 8.884 1.00 0.00 C ATOM 34 O GLU A 3 10.915 8.911 9.935 1.00 0.00 O ATOM 35 CB GLU A 3 9.863 9.176 6.821 1.00 0.00 C ATOM 36 CG GLU A 3 9.986 10.541 6.165 1.00 0.00 C ATOM 37 CD GLU A 3 9.586 10.525 4.701 1.00 0.00 C ATOM 38 OE1 GLU A 3 8.370 10.525 4.418 1.00 0.00 O ATOM 39 OE2 GLU A 3 10.491 10.514 3.840 1.00 0.00 O ATOM 0 H GLU A 3 10.214 6.903 8.017 1.00 0.00 H new ATOM 0 HA GLU A 3 11.998 8.980 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.613 8.438 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.035 9.196 7.529 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.360 11.255 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.015 10.890 6.253 1.00 0.00 H new ATOM 46 N LYS A 4 11.724 10.698 8.833 1.00 0.00 N ATOM 47 CA LYS A 4 11.888 11.507 10.036 1.00 0.00 C ATOM 48 C LYS A 4 10.536 11.828 10.672 1.00 0.00 C ATOM 49 O LYS A 4 10.271 11.441 11.811 1.00 0.00 O ATOM 50 CB LYS A 4 12.633 12.802 9.708 1.00 0.00 C ATOM 51 CG LYS A 4 14.143 12.681 9.825 1.00 0.00 C ATOM 52 CD LYS A 4 14.803 14.045 9.947 1.00 0.00 C ATOM 53 CE LYS A 4 15.977 14.012 10.913 1.00 0.00 C ATOM 54 NZ LYS A 4 17.279 13.894 10.201 1.00 0.00 N ATOM 0 H LYS A 4 12.004 11.165 7.970 1.00 0.00 H new ATOM 0 HA LYS A 4 12.474 10.930 10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.379 13.111 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.287 13.590 10.377 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.394 12.075 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.536 12.162 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.147 14.373 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.070 14.776 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.975 14.919 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.860 13.172 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.054 13.875 10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.292 13.016 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.403 14.709 9.566 1.00 0.00 H new ATOM 68 N PRO A 5 9.660 12.550 9.950 1.00 0.00 N ATOM 69 CA PRO A 5 8.336 12.924 10.458 1.00 0.00 C ATOM 70 C PRO A 5 7.495 11.712 10.851 1.00 0.00 C ATOM 71 O PRO A 5 7.362 11.396 12.034 1.00 0.00 O ATOM 72 CB PRO A 5 7.689 13.681 9.290 1.00 0.00 C ATOM 73 CG PRO A 5 8.495 13.318 8.089 1.00 0.00 C ATOM 74 CD PRO A 5 9.886 13.061 8.588 1.00 0.00 C ATOM 0 HA PRO A 5 8.411 13.519 11.368 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.645 13.393 9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.704 14.757 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.087 12.435 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.486 14.124 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.410 12.335 7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.488 13.970 8.593 1.00 0.00 H new ATOM 82 N LEU A 6 6.926 11.037 9.857 1.00 0.00 N ATOM 83 CA LEU A 6 6.097 9.863 10.108 1.00 0.00 C ATOM 84 C LEU A 6 6.600 8.658 9.320 1.00 0.00 C ATOM 85 O LEU A 6 6.966 8.776 8.151 1.00 0.00 O ATOM 86 CB LEU A 6 4.640 10.153 9.741 1.00 0.00 C ATOM 87 CG LEU A 6 3.949 11.213 10.602 1.00 0.00 C ATOM 88 CD1 LEU A 6 4.148 10.918 12.082 1.00 0.00 C ATOM 89 CD2 LEU A 6 4.469 12.601 10.258 1.00 0.00 C ATOM 0 H LEU A 6 7.024 11.282 8.872 1.00 0.00 H new ATOM 0 HA LEU A 6 6.159 9.629 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.601 10.472 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.073 9.225 9.811 1.00 0.00 H new ATOM 0 HG LEU A 6 2.880 11.183 10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.649 11.684 12.676 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.725 9.942 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.213 10.917 12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.967 13.342 10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.543 12.643 10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.270 12.814 9.208 1.00 0.00 H new ATOM 101 N THR A 7 6.614 7.497 9.969 1.00 0.00 N ATOM 102 CA THR A 7 7.072 6.268 9.331 1.00 0.00 C ATOM 103 C THR A 7 5.901 5.500 8.726 1.00 0.00 C ATOM 104 O THR A 7 4.747 5.910 8.848 1.00 0.00 O ATOM 105 CB THR A 7 7.807 5.387 10.342 1.00 0.00 C ATOM 106 OG1 THR A 7 7.170 5.438 11.607 1.00 0.00 O ATOM 107 CG2 THR A 7 9.253 5.785 10.541 1.00 0.00 C ATOM 0 H THR A 7 6.313 7.382 10.937 1.00 0.00 H new ATOM 0 HA THR A 7 7.759 6.539 8.529 1.00 0.00 H new ATOM 0 HB THR A 7 7.777 4.381 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.653 4.867 12.240 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.716 5.120 11.270 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.785 5.710 9.592 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.301 6.812 10.904 1.00 0.00 H new ATOM 115 N LYS A 8 6.208 4.383 8.073 1.00 0.00 N ATOM 116 CA LYS A 8 5.184 3.555 7.446 1.00 0.00 C ATOM 117 C LYS A 8 4.225 2.986 8.487 1.00 0.00 C ATOM 118 O LYS A 8 3.052 2.746 8.198 1.00 0.00 O ATOM 119 CB LYS A 8 5.833 2.416 6.658 1.00 0.00 C ATOM 120 CG LYS A 8 6.894 1.660 7.443 1.00 0.00 C ATOM 121 CD LYS A 8 8.286 1.908 6.884 1.00 0.00 C ATOM 122 CE LYS A 8 8.409 1.405 5.454 1.00 0.00 C ATOM 123 NZ LYS A 8 9.194 2.341 4.603 1.00 0.00 N ATOM 0 H LYS A 8 7.159 4.030 7.964 1.00 0.00 H new ATOM 0 HA LYS A 8 4.614 4.185 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.059 1.716 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.284 2.822 5.752 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.861 1.966 8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.675 0.592 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.508 2.975 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.025 1.410 7.511 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.887 0.426 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.414 1.274 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.615 1.818 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.567 3.084 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.950 2.775 5.170 1.00 0.00 H new ATOM 137 N THR A 9 4.730 2.769 9.696 1.00 0.00 N ATOM 138 CA THR A 9 3.917 2.224 10.778 1.00 0.00 C ATOM 139 C THR A 9 3.044 3.306 11.408 1.00 0.00 C ATOM 140 O THR A 9 1.960 3.022 11.917 1.00 0.00 O ATOM 141 CB THR A 9 4.809 1.583 11.845 1.00 0.00 C ATOM 142 OG1 THR A 9 6.138 2.065 11.746 1.00 0.00 O ATOM 143 CG2 THR A 9 4.857 0.072 11.756 1.00 0.00 C ATOM 0 H THR A 9 5.698 2.962 9.952 1.00 0.00 H new ATOM 0 HA THR A 9 3.264 1.461 10.355 1.00 0.00 H new ATOM 0 HB THR A 9 4.361 1.859 12.800 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.691 1.645 12.437 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.506 -0.318 12.540 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.853 -0.332 11.882 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.247 -0.223 10.782 1.00 0.00 H new ATOM 151 N ASP A 10 3.523 4.545 11.373 1.00 0.00 N ATOM 152 CA ASP A 10 2.781 5.663 11.946 1.00 0.00 C ATOM 153 C ASP A 10 1.442 5.850 11.240 1.00 0.00 C ATOM 154 O ASP A 10 0.398 5.939 11.885 1.00 0.00 O ATOM 155 CB ASP A 10 3.606 6.950 11.853 1.00 0.00 C ATOM 156 CG ASP A 10 3.536 7.772 13.124 1.00 0.00 C ATOM 157 OD1 ASP A 10 2.411 8.094 13.563 1.00 0.00 O ATOM 158 OD2 ASP A 10 4.606 8.096 13.683 1.00 0.00 O ATOM 0 H ASP A 10 4.418 4.800 10.956 1.00 0.00 H new ATOM 0 HA ASP A 10 2.587 5.438 12.995 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.645 6.698 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.248 7.549 11.016 1.00 0.00 H new ATOM 163 N TYR A 11 1.478 5.906 9.912 1.00 0.00 N ATOM 164 CA TYR A 11 0.264 6.077 9.123 1.00 0.00 C ATOM 165 C TYR A 11 -0.519 4.771 9.049 1.00 0.00 C ATOM 166 O TYR A 11 -1.740 4.756 9.209 1.00 0.00 O ATOM 167 CB TYR A 11 0.606 6.561 7.714 1.00 0.00 C ATOM 168 CG TYR A 11 0.655 8.067 7.586 1.00 0.00 C ATOM 169 CD1 TYR A 11 1.782 8.780 7.973 1.00 0.00 C ATOM 170 CD2 TYR A 11 -0.429 8.775 7.081 1.00 0.00 C ATOM 171 CE1 TYR A 11 1.829 10.157 7.860 1.00 0.00 C ATOM 172 CE2 TYR A 11 -0.389 10.152 6.964 1.00 0.00 C ATOM 173 CZ TYR A 11 0.742 10.837 7.355 1.00 0.00 C ATOM 174 OH TYR A 11 0.785 12.207 7.241 1.00 0.00 O ATOM 0 H TYR A 11 2.333 5.836 9.361 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.356 6.828 9.613 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.572 6.148 7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.133 6.169 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.636 8.250 8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.317 8.241 6.775 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.713 10.697 8.166 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.239 10.688 6.569 1.00 0.00 H new ATOM 0 HH TYR A 11 1.610 12.543 7.648 1.00 0.00 H new ATOM 184 N LEU A 12 0.194 3.676 8.805 1.00 0.00 N ATOM 185 CA LEU A 12 -0.430 2.360 8.708 1.00 0.00 C ATOM 186 C LEU A 12 -1.235 2.041 9.965 1.00 0.00 C ATOM 187 O LEU A 12 -2.296 1.420 9.892 1.00 0.00 O ATOM 188 CB LEU A 12 0.635 1.284 8.487 1.00 0.00 C ATOM 189 CG LEU A 12 0.104 -0.147 8.412 1.00 0.00 C ATOM 190 CD1 LEU A 12 -0.766 -0.329 7.177 1.00 0.00 C ATOM 191 CD2 LEU A 12 1.255 -1.142 8.405 1.00 0.00 C ATOM 0 H LEU A 12 1.205 3.673 8.671 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.111 2.372 7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.168 1.506 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.363 1.343 9.296 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.508 -0.334 9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.135 -1.354 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.610 0.359 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.177 -0.123 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.859 -2.156 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.892 -0.955 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.839 -1.029 9.318 1.00 0.00 H new ATOM 203 N MET A 13 -0.724 2.465 11.115 1.00 0.00 N ATOM 204 CA MET A 13 -1.394 2.221 12.386 1.00 0.00 C ATOM 205 C MET A 13 -2.676 3.040 12.496 1.00 0.00 C ATOM 206 O MET A 13 -3.721 2.526 12.896 1.00 0.00 O ATOM 207 CB MET A 13 -0.460 2.556 13.551 1.00 0.00 C ATOM 208 CG MET A 13 0.431 1.398 13.968 1.00 0.00 C ATOM 209 SD MET A 13 -0.287 0.412 15.296 1.00 0.00 S ATOM 210 CE MET A 13 -1.583 -0.454 14.413 1.00 0.00 C ATOM 0 H MET A 13 0.153 2.980 11.193 1.00 0.00 H new ATOM 0 HA MET A 13 -1.657 1.164 12.430 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.166 3.403 13.272 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.058 2.870 14.407 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.616 0.758 13.105 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.397 1.786 14.290 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.892 -1.329 14.986 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.437 0.210 14.277 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.210 -0.771 13.439 1.00 0.00 H new ATOM 220 N ARG A 14 -2.590 4.318 12.141 1.00 0.00 N ATOM 221 CA ARG A 14 -3.744 5.207 12.201 1.00 0.00 C ATOM 222 C ARG A 14 -4.793 4.809 11.168 1.00 0.00 C ATOM 223 O ARG A 14 -5.992 4.997 11.379 1.00 0.00 O ATOM 224 CB ARG A 14 -3.310 6.656 11.973 1.00 0.00 C ATOM 225 CG ARG A 14 -3.028 7.416 13.260 1.00 0.00 C ATOM 226 CD ARG A 14 -4.311 7.735 14.010 1.00 0.00 C ATOM 227 NE ARG A 14 -4.866 9.030 13.621 1.00 0.00 N ATOM 228 CZ ARG A 14 -6.127 9.393 13.842 1.00 0.00 C ATOM 229 NH1 ARG A 14 -6.967 8.563 14.449 1.00 0.00 N ATOM 230 NH2 ARG A 14 -6.549 10.589 13.457 1.00 0.00 N ATOM 0 H ARG A 14 -1.733 4.761 11.809 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.187 5.119 13.193 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.414 6.665 11.352 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.089 7.177 11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.370 6.824 13.897 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.500 8.341 13.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.046 6.953 13.819 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -4.114 7.732 15.082 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.250 9.695 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.647 7.642 14.748 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.933 8.846 14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.907 11.231 12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.516 10.868 13.626 1.00 0.00 H new ATOM 244 N LEU A 15 -4.336 4.257 10.048 1.00 0.00 N ATOM 245 CA LEU A 15 -5.235 3.832 8.982 1.00 0.00 C ATOM 246 C LEU A 15 -6.211 2.772 9.482 1.00 0.00 C ATOM 247 O LEU A 15 -7.411 2.842 9.216 1.00 0.00 O ATOM 248 CB LEU A 15 -4.430 3.284 7.802 1.00 0.00 C ATOM 249 CG LEU A 15 -5.047 3.534 6.426 1.00 0.00 C ATOM 250 CD1 LEU A 15 -3.960 3.648 5.369 1.00 0.00 C ATOM 251 CD2 LEU A 15 -6.024 2.421 6.074 1.00 0.00 C ATOM 0 H LEU A 15 -3.348 4.094 9.856 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.808 4.699 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.435 3.728 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.303 2.210 7.936 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.595 4.476 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.417 3.826 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.298 4.478 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.385 2.722 5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.455 2.613 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.498 1.466 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.819 2.386 6.819 1.00 0.00 H new ATOM 263 N ARG A 16 -5.687 1.792 10.210 1.00 0.00 N ATOM 264 CA ARG A 16 -6.507 0.715 10.754 1.00 0.00 C ATOM 265 C ARG A 16 -7.354 1.199 11.930 1.00 0.00 C ATOM 266 O ARG A 16 -8.281 0.512 12.360 1.00 0.00 O ATOM 267 CB ARG A 16 -5.621 -0.452 11.196 1.00 0.00 C ATOM 268 CG ARG A 16 -6.292 -1.810 11.060 1.00 0.00 C ATOM 269 CD ARG A 16 -5.616 -2.858 11.930 1.00 0.00 C ATOM 270 NE ARG A 16 -6.476 -3.300 13.025 1.00 0.00 N ATOM 271 CZ ARG A 16 -6.288 -4.427 13.708 1.00 0.00 C ATOM 272 NH1 ARG A 16 -5.272 -5.228 13.413 1.00 0.00 N ATOM 273 NH2 ARG A 16 -7.119 -4.754 14.689 1.00 0.00 N ATOM 0 H ARG A 16 -4.695 1.721 10.438 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.181 0.379 9.966 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.706 -0.447 10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.329 -0.303 12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.342 -1.727 11.339 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.263 -2.128 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.341 -3.716 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.692 -2.449 12.338 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.268 -2.710 13.281 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.630 -4.981 12.660 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.133 -6.090 13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.902 -4.142 14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.975 -5.617 15.213 1.00 0.00 H new ATOM 287 N ARG A 17 -7.025 2.377 12.454 1.00 0.00 N ATOM 288 CA ARG A 17 -7.750 2.943 13.588 1.00 0.00 C ATOM 289 C ARG A 17 -9.251 3.006 13.317 1.00 0.00 C ATOM 290 O ARG A 17 -10.059 2.663 14.182 1.00 0.00 O ATOM 291 CB ARG A 17 -7.222 4.342 13.909 1.00 0.00 C ATOM 292 CG ARG A 17 -7.218 4.664 15.396 1.00 0.00 C ATOM 293 CD ARG A 17 -5.819 4.993 15.895 1.00 0.00 C ATOM 294 NE ARG A 17 -5.821 6.114 16.832 1.00 0.00 N ATOM 295 CZ ARG A 17 -6.166 6.008 18.113 1.00 0.00 C ATOM 296 NH1 ARG A 17 -6.536 4.836 18.613 1.00 0.00 N ATOM 297 NH2 ARG A 17 -6.139 7.077 18.895 1.00 0.00 N ATOM 0 H ARG A 17 -6.260 2.958 12.111 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.587 2.289 14.445 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.207 4.436 13.522 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.831 5.080 13.387 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.881 5.508 15.588 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.613 3.815 15.954 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.392 4.116 16.381 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.178 5.231 15.046 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.542 7.031 16.484 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.557 4.010 18.015 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.799 4.761 19.596 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.854 7.980 18.515 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.403 6.997 19.877 1.00 0.00 H new ATOM 311 N CYS A 18 -9.625 3.444 12.118 1.00 0.00 N ATOM 312 CA CYS A 18 -11.035 3.543 11.755 1.00 0.00 C ATOM 313 C CYS A 18 -11.706 2.175 11.823 1.00 0.00 C ATOM 314 O CYS A 18 -11.112 1.162 11.457 1.00 0.00 O ATOM 315 CB CYS A 18 -11.192 4.139 10.355 1.00 0.00 C ATOM 316 SG CYS A 18 -12.604 5.255 10.187 1.00 0.00 S ATOM 0 H CYS A 18 -8.976 3.734 11.386 1.00 0.00 H new ATOM 0 HA CYS A 18 -11.523 4.205 12.471 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.281 4.680 10.097 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.295 3.327 9.635 1.00 0.00 H new ATOM 0 HG CYS A 18 -12.536 5.872 9.045 1.00 0.00 H new ATOM 322 N GLN A 19 -12.946 2.153 12.303 1.00 0.00 N ATOM 323 CA GLN A 19 -13.695 0.905 12.428 1.00 0.00 C ATOM 324 C GLN A 19 -14.290 0.476 11.090 1.00 0.00 C ATOM 325 O GLN A 19 -14.351 -0.715 10.783 1.00 0.00 O ATOM 326 CB GLN A 19 -14.806 1.052 13.471 1.00 0.00 C ATOM 327 CG GLN A 19 -15.613 2.333 13.333 1.00 0.00 C ATOM 328 CD GLN A 19 -17.084 2.129 13.636 1.00 0.00 C ATOM 329 OE1 GLN A 19 -17.677 1.123 13.246 1.00 0.00 O ATOM 330 NE2 GLN A 19 -17.682 3.087 14.336 1.00 0.00 N ATOM 0 H GLN A 19 -13.453 2.983 12.611 1.00 0.00 H new ATOM 0 HA GLN A 19 -12.999 0.132 12.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.480 0.199 13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.363 1.018 14.467 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.208 3.088 14.007 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.504 2.719 12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.152 3.904 14.639 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.671 3.005 14.570 1.00 0.00 H new ATOM 339 N THR A 20 -14.731 1.447 10.299 1.00 0.00 N ATOM 340 CA THR A 20 -15.323 1.167 9.005 1.00 0.00 C ATOM 341 C THR A 20 -14.348 1.512 7.879 1.00 0.00 C ATOM 342 O THR A 20 -13.554 2.444 7.996 1.00 0.00 O ATOM 343 CB THR A 20 -16.622 1.963 8.856 1.00 0.00 C ATOM 344 OG1 THR A 20 -17.639 1.414 9.674 1.00 0.00 O ATOM 345 CG2 THR A 20 -17.147 2.004 7.443 1.00 0.00 C ATOM 0 H THR A 20 -14.688 2.438 10.536 1.00 0.00 H new ATOM 0 HA THR A 20 -15.547 0.102 8.939 1.00 0.00 H new ATOM 0 HB THR A 20 -16.371 2.980 9.158 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.462 1.936 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 20 -18.069 2.585 7.414 1.00 0.00 H new ATOM 0 HG22 THR A 20 -16.405 2.468 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 20 -17.347 0.989 7.099 1.00 0.00 H new ATOM 353 N ILE A 21 -14.417 0.751 6.792 1.00 0.00 N ATOM 354 CA ILE A 21 -13.543 0.974 5.646 1.00 0.00 C ATOM 355 C ILE A 21 -13.972 2.205 4.854 1.00 0.00 C ATOM 356 O ILE A 21 -13.142 3.028 4.470 1.00 0.00 O ATOM 357 CB ILE A 21 -13.524 -0.249 4.708 1.00 0.00 C ATOM 358 CG1 ILE A 21 -13.218 -1.521 5.500 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.502 -0.052 3.597 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.901 -1.468 6.244 1.00 0.00 C ATOM 0 H ILE A 21 -15.069 -0.025 6.680 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.540 1.135 6.041 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.509 -0.353 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.023 -1.697 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.206 -2.370 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.502 -0.925 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.760 0.834 3.018 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.511 0.076 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.750 -2.403 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.087 -1.323 5.533 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.916 -0.639 6.952 1.00 0.00 H new ATOM 372 N ASP A 22 -15.275 2.327 4.611 1.00 0.00 N ATOM 373 CA ASP A 22 -15.810 3.462 3.863 1.00 0.00 C ATOM 374 C ASP A 22 -15.361 4.777 4.491 1.00 0.00 C ATOM 375 O ASP A 22 -14.833 5.656 3.810 1.00 0.00 O ATOM 376 CB ASP A 22 -17.337 3.396 3.817 1.00 0.00 C ATOM 377 CG ASP A 22 -17.841 2.232 2.986 1.00 0.00 C ATOM 378 OD1 ASP A 22 -17.468 1.079 3.292 1.00 0.00 O ATOM 379 OD2 ASP A 22 -18.609 2.472 2.031 1.00 0.00 O ATOM 0 H ASP A 22 -15.978 1.656 4.920 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.425 3.414 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.725 3.309 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -17.726 4.328 3.406 1.00 0.00 H new ATOM 384 N THR A 23 -15.568 4.898 5.799 1.00 0.00 N ATOM 385 CA THR A 23 -15.180 6.089 6.532 1.00 0.00 C ATOM 386 C THR A 23 -13.703 6.400 6.320 1.00 0.00 C ATOM 387 O THR A 23 -13.293 7.561 6.326 1.00 0.00 O ATOM 388 CB THR A 23 -15.459 5.879 8.016 1.00 0.00 C ATOM 389 OG1 THR A 23 -16.568 5.017 8.200 1.00 0.00 O ATOM 390 CG2 THR A 23 -15.750 7.159 8.753 1.00 0.00 C ATOM 0 H THR A 23 -16.006 4.177 6.373 1.00 0.00 H new ATOM 0 HA THR A 23 -15.761 6.934 6.163 1.00 0.00 H new ATOM 0 HB THR A 23 -14.547 5.443 8.423 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.930 5.138 9.103 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.940 6.939 9.804 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.894 7.829 8.671 1.00 0.00 H new ATOM 0 HG23 THR A 23 -16.628 7.638 8.318 1.00 0.00 H new ATOM 398 N LEU A 24 -12.908 5.351 6.135 1.00 0.00 N ATOM 399 CA LEU A 24 -11.476 5.507 5.923 1.00 0.00 C ATOM 400 C LEU A 24 -11.175 5.805 4.459 1.00 0.00 C ATOM 401 O LEU A 24 -10.297 6.605 4.153 1.00 0.00 O ATOM 402 CB LEU A 24 -10.732 4.241 6.367 1.00 0.00 C ATOM 403 CG LEU A 24 -9.201 4.318 6.326 1.00 0.00 C ATOM 404 CD1 LEU A 24 -8.702 4.264 4.890 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.694 5.577 7.022 1.00 0.00 C ATOM 0 H LEU A 24 -13.233 4.384 6.128 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.132 6.349 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.038 4.001 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.052 3.413 5.734 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.807 3.455 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.613 4.320 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.021 3.329 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.113 5.104 4.330 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.605 5.604 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.100 6.457 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.014 5.571 8.064 1.00 0.00 H new ATOM 417 N GLU A 25 -11.910 5.165 3.557 1.00 0.00 N ATOM 418 CA GLU A 25 -11.706 5.379 2.128 1.00 0.00 C ATOM 419 C GLU A 25 -11.879 6.853 1.782 1.00 0.00 C ATOM 420 O GLU A 25 -11.203 7.382 0.898 1.00 0.00 O ATOM 421 CB GLU A 25 -12.686 4.527 1.317 1.00 0.00 C ATOM 422 CG GLU A 25 -12.014 3.672 0.255 1.00 0.00 C ATOM 423 CD GLU A 25 -12.092 4.291 -1.126 1.00 0.00 C ATOM 424 OE1 GLU A 25 -11.662 5.454 -1.281 1.00 0.00 O ATOM 425 OE2 GLU A 25 -12.581 3.613 -2.055 1.00 0.00 O ATOM 0 H GLU A 25 -12.647 4.498 3.786 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.689 5.078 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.240 3.879 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.413 5.182 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.968 3.521 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.483 2.688 0.235 1.00 0.00 H new ATOM 432 N ARG A 26 -12.780 7.516 2.500 1.00 0.00 N ATOM 433 CA ARG A 26 -13.034 8.932 2.285 1.00 0.00 C ATOM 434 C ARG A 26 -11.795 9.750 2.627 1.00 0.00 C ATOM 435 O ARG A 26 -11.509 10.760 1.983 1.00 0.00 O ATOM 436 CB ARG A 26 -14.224 9.393 3.130 1.00 0.00 C ATOM 437 CG ARG A 26 -14.548 10.871 2.974 1.00 0.00 C ATOM 438 CD ARG A 26 -15.269 11.417 4.197 1.00 0.00 C ATOM 439 NE ARG A 26 -16.480 12.151 3.837 1.00 0.00 N ATOM 440 CZ ARG A 26 -17.447 12.456 4.700 1.00 0.00 C ATOM 441 NH1 ARG A 26 -17.347 12.093 5.973 1.00 0.00 N ATOM 442 NH2 ARG A 26 -18.514 13.127 4.290 1.00 0.00 N ATOM 0 H ARG A 26 -13.346 7.093 3.236 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.273 9.086 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.101 8.807 2.857 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.016 9.184 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.627 11.431 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.168 11.017 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.529 10.594 4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.598 12.074 4.750 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.591 12.447 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.527 11.578 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.090 12.329 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -18.594 13.410 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.255 13.361 4.951 1.00 0.00 H new ATOM 456 N VAL A 27 -11.056 9.306 3.641 1.00 0.00 N ATOM 457 CA VAL A 27 -9.846 10.001 4.054 1.00 0.00 C ATOM 458 C VAL A 27 -8.681 9.667 3.125 1.00 0.00 C ATOM 459 O VAL A 27 -7.740 10.450 2.992 1.00 0.00 O ATOM 460 CB VAL A 27 -9.462 9.685 5.517 1.00 0.00 C ATOM 461 CG1 VAL A 27 -8.925 8.269 5.665 1.00 0.00 C ATOM 462 CG2 VAL A 27 -8.449 10.700 6.022 1.00 0.00 C ATOM 0 H VAL A 27 -11.275 8.473 4.187 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.059 11.068 3.989 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.365 9.754 6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.666 8.085 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.687 7.556 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.037 8.150 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.185 10.468 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.554 10.661 5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.881 11.700 5.974 1.00 0.00 H new ATOM 472 N ILE A 28 -8.756 8.507 2.474 1.00 0.00 N ATOM 473 CA ILE A 28 -7.709 8.089 1.551 1.00 0.00 C ATOM 474 C ILE A 28 -7.598 9.071 0.393 1.00 0.00 C ATOM 475 O ILE A 28 -6.504 9.383 -0.069 1.00 0.00 O ATOM 476 CB ILE A 28 -7.969 6.677 0.980 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.184 5.671 2.113 1.00 0.00 C ATOM 478 CG2 ILE A 28 -6.810 6.243 0.093 1.00 0.00 C ATOM 479 CD1 ILE A 28 -8.318 4.240 1.639 1.00 0.00 C ATOM 0 H ILE A 28 -9.527 7.846 2.569 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.779 8.068 2.119 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.875 6.710 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.348 5.737 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.082 5.947 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.007 5.246 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.701 6.946 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.891 6.226 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.468 3.585 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.172 4.158 0.966 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.411 3.945 1.111 1.00 0.00 H new ATOM 491 N GLU A 29 -8.745 9.551 -0.070 1.00 0.00 N ATOM 492 CA GLU A 29 -8.788 10.497 -1.179 1.00 0.00 C ATOM 493 C GLU A 29 -8.351 11.890 -0.732 1.00 0.00 C ATOM 494 O GLU A 29 -7.596 12.568 -1.430 1.00 0.00 O ATOM 495 CB GLU A 29 -10.200 10.554 -1.767 1.00 0.00 C ATOM 496 CG GLU A 29 -10.336 11.520 -2.932 1.00 0.00 C ATOM 497 CD GLU A 29 -11.781 11.864 -3.239 1.00 0.00 C ATOM 498 OE1 GLU A 29 -12.563 10.935 -3.529 1.00 0.00 O ATOM 499 OE2 GLU A 29 -12.130 13.062 -3.189 1.00 0.00 O ATOM 0 H GLU A 29 -9.660 9.301 0.306 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.093 10.153 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.487 9.556 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.900 10.843 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.789 12.435 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.874 11.083 -3.817 1.00 0.00 H new ATOM 506 N LYS A 30 -8.834 12.315 0.430 1.00 0.00 N ATOM 507 CA LYS A 30 -8.495 13.631 0.960 1.00 0.00 C ATOM 508 C LYS A 30 -7.038 13.690 1.411 1.00 0.00 C ATOM 509 O LYS A 30 -6.377 14.719 1.267 1.00 0.00 O ATOM 510 CB LYS A 30 -9.418 13.982 2.129 1.00 0.00 C ATOM 511 CG LYS A 30 -10.603 14.849 1.730 1.00 0.00 C ATOM 512 CD LYS A 30 -10.151 16.135 1.057 1.00 0.00 C ATOM 513 CE LYS A 30 -11.174 17.245 1.231 1.00 0.00 C ATOM 514 NZ LYS A 30 -12.534 16.821 0.796 1.00 0.00 N ATOM 0 H LYS A 30 -9.460 11.769 1.022 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.632 14.359 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.788 13.060 2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.840 14.501 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.251 14.292 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.194 15.088 2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.196 16.450 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.988 15.953 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.206 17.548 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.864 18.117 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.150 17.655 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.472 16.352 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.931 16.159 1.493 1.00 0.00 H new ATOM 528 N ASN A 31 -6.543 12.587 1.964 1.00 0.00 N ATOM 529 CA ASN A 31 -5.165 12.526 2.445 1.00 0.00 C ATOM 530 C ASN A 31 -4.177 12.336 1.298 1.00 0.00 C ATOM 531 O ASN A 31 -3.113 12.957 1.278 1.00 0.00 O ATOM 532 CB ASN A 31 -5.012 11.395 3.466 1.00 0.00 C ATOM 533 CG ASN A 31 -3.588 11.254 3.971 1.00 0.00 C ATOM 534 OD1 ASN A 31 -2.776 10.543 3.379 1.00 0.00 O ATOM 535 ND2 ASN A 31 -3.281 11.930 5.072 1.00 0.00 N ATOM 0 H ASN A 31 -7.073 11.725 2.090 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.938 13.478 2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.676 11.580 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.327 10.456 3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.340 11.872 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.987 12.507 5.529 1.00 0.00 H new ATOM 542 N LYS A 32 -4.524 11.476 0.347 1.00 0.00 N ATOM 543 CA LYS A 32 -3.650 11.215 -0.793 1.00 0.00 C ATOM 544 C LYS A 32 -3.366 12.499 -1.566 1.00 0.00 C ATOM 545 O LYS A 32 -2.289 12.667 -2.138 1.00 0.00 O ATOM 546 CB LYS A 32 -4.270 10.165 -1.723 1.00 0.00 C ATOM 547 CG LYS A 32 -5.431 10.686 -2.557 1.00 0.00 C ATOM 548 CD LYS A 32 -5.029 10.889 -4.008 1.00 0.00 C ATOM 549 CE LYS A 32 -5.938 11.892 -4.702 1.00 0.00 C ATOM 550 NZ LYS A 32 -7.358 11.443 -4.711 1.00 0.00 N ATOM 0 H LYS A 32 -5.398 10.950 0.341 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.707 10.827 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.497 9.785 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.616 9.323 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.262 9.983 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.784 11.630 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.997 11.237 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.068 9.935 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.866 12.856 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.598 12.041 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.921 12.083 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.414 10.477 -5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.732 11.456 -3.741 1.00 0.00 H new ATOM 564 N TYR A 33 -4.339 13.405 -1.575 1.00 0.00 N ATOM 565 CA TYR A 33 -4.191 14.675 -2.275 1.00 0.00 C ATOM 566 C TYR A 33 -3.649 15.761 -1.345 1.00 0.00 C ATOM 567 O TYR A 33 -3.194 16.809 -1.804 1.00 0.00 O ATOM 568 CB TYR A 33 -5.533 15.113 -2.865 1.00 0.00 C ATOM 569 CG TYR A 33 -5.440 15.570 -4.303 1.00 0.00 C ATOM 570 CD1 TYR A 33 -4.506 16.523 -4.690 1.00 0.00 C ATOM 571 CD2 TYR A 33 -6.286 15.048 -5.274 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.417 16.941 -6.004 1.00 0.00 C ATOM 573 CE2 TYR A 33 -6.203 15.462 -6.590 1.00 0.00 C ATOM 574 CZ TYR A 33 -5.267 16.409 -6.950 1.00 0.00 C ATOM 575 OH TYR A 33 -5.181 16.823 -8.258 1.00 0.00 O ATOM 0 H TYR A 33 -5.237 13.283 -1.106 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.474 14.531 -3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.237 14.283 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.939 15.924 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.839 16.944 -3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.020 14.307 -4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.684 17.682 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.868 15.046 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.850 16.350 -8.796 1.00 0.00 H new ATOM 585 N GLU A 34 -3.701 15.509 -0.040 1.00 0.00 N ATOM 586 CA GLU A 34 -3.216 16.474 0.941 1.00 0.00 C ATOM 587 C GLU A 34 -1.691 16.529 0.957 1.00 0.00 C ATOM 588 O GLU A 34 -1.095 17.510 0.508 1.00 0.00 O ATOM 589 CB GLU A 34 -3.742 16.131 2.336 1.00 0.00 C ATOM 590 CG GLU A 34 -3.594 17.265 3.337 1.00 0.00 C ATOM 591 CD GLU A 34 -3.357 16.770 4.751 1.00 0.00 C ATOM 592 OE1 GLU A 34 -4.008 15.782 5.150 1.00 0.00 O ATOM 593 OE2 GLU A 34 -2.519 17.370 5.456 1.00 0.00 O ATOM 0 H GLU A 34 -4.073 14.648 0.361 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.590 17.456 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.795 15.858 2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.212 15.255 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.764 17.904 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.493 17.881 3.318 1.00 0.00 H new ATOM 600 N LEU A 35 -1.062 15.481 1.481 1.00 0.00 N ATOM 601 CA LEU A 35 0.394 15.431 1.556 1.00 0.00 C ATOM 602 C LEU A 35 1.033 15.469 0.174 1.00 0.00 C ATOM 603 O LEU A 35 0.410 15.885 -0.803 1.00 0.00 O ATOM 604 CB LEU A 35 0.871 14.185 2.322 1.00 0.00 C ATOM 605 CG LEU A 35 0.840 12.835 1.575 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.407 11.728 2.516 1.00 0.00 C ATOM 607 CD2 LEU A 35 -0.078 12.850 0.365 1.00 0.00 C ATOM 0 H LEU A 35 -1.535 14.659 1.858 1.00 0.00 H new ATOM 0 HA LEU A 35 0.712 16.320 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.895 14.364 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.260 14.087 3.219 1.00 0.00 H new ATOM 0 HG LEU A 35 1.853 12.655 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.389 10.780 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.110 11.661 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.589 11.946 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.058 11.874 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.096 13.077 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.260 13.611 -0.339 1.00 0.00 H new ATOM 619 N SER A 36 2.280 15.023 0.109 1.00 0.00 N ATOM 620 CA SER A 36 3.020 14.990 -1.144 1.00 0.00 C ATOM 621 C SER A 36 3.417 13.562 -1.489 1.00 0.00 C ATOM 622 O SER A 36 3.095 12.625 -0.759 1.00 0.00 O ATOM 623 CB SER A 36 4.267 15.873 -1.050 1.00 0.00 C ATOM 624 OG SER A 36 4.976 15.886 -2.276 1.00 0.00 O ATOM 0 H SER A 36 2.802 14.677 0.914 1.00 0.00 H new ATOM 0 HA SER A 36 2.376 15.375 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.977 16.889 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.916 15.507 -0.255 1.00 0.00 H new ATOM 0 HG SER A 36 5.737 15.271 -2.220 1.00 0.00 H new ATOM 630 N ASP A 37 4.131 13.404 -2.594 1.00 0.00 N ATOM 631 CA ASP A 37 4.585 12.089 -3.022 1.00 0.00 C ATOM 632 C ASP A 37 5.475 11.456 -1.955 1.00 0.00 C ATOM 633 O ASP A 37 5.597 10.233 -1.881 1.00 0.00 O ATOM 634 CB ASP A 37 5.350 12.195 -4.343 1.00 0.00 C ATOM 635 CG ASP A 37 4.435 12.471 -5.520 1.00 0.00 C ATOM 636 OD1 ASP A 37 3.597 11.602 -5.838 1.00 0.00 O ATOM 637 OD2 ASP A 37 4.558 13.558 -6.126 1.00 0.00 O ATOM 0 H ASP A 37 4.408 14.169 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 37 3.710 11.456 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.091 12.991 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.895 11.268 -4.520 1.00 0.00 H new ATOM 642 N ASN A 38 6.104 12.299 -1.137 1.00 0.00 N ATOM 643 CA ASN A 38 6.993 11.821 -0.084 1.00 0.00 C ATOM 644 C ASN A 38 6.217 11.207 1.077 1.00 0.00 C ATOM 645 O ASN A 38 6.546 10.115 1.540 1.00 0.00 O ATOM 646 CB ASN A 38 7.871 12.965 0.426 1.00 0.00 C ATOM 647 CG ASN A 38 9.179 13.074 -0.335 1.00 0.00 C ATOM 648 OD1 ASN A 38 9.525 14.138 -0.849 1.00 0.00 O ATOM 649 ND2 ASN A 38 9.913 11.970 -0.410 1.00 0.00 N ATOM 0 H ASN A 38 6.013 13.314 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 38 7.622 11.042 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.325 13.904 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.081 12.814 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.803 11.982 -0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.587 11.110 0.031 1.00 0.00 H new ATOM 656 N GLU A 39 5.183 11.901 1.544 1.00 0.00 N ATOM 657 CA GLU A 39 4.376 11.402 2.643 1.00 0.00 C ATOM 658 C GLU A 39 3.393 10.353 2.138 1.00 0.00 C ATOM 659 O GLU A 39 3.090 9.382 2.832 1.00 0.00 O ATOM 660 CB GLU A 39 3.643 12.566 3.306 1.00 0.00 C ATOM 661 CG GLU A 39 2.623 12.155 4.354 1.00 0.00 C ATOM 662 CD GLU A 39 3.159 12.267 5.768 1.00 0.00 C ATOM 663 OE1 GLU A 39 3.780 11.294 6.246 1.00 0.00 O ATOM 664 OE2 GLU A 39 2.959 13.328 6.396 1.00 0.00 O ATOM 0 H GLU A 39 4.888 12.806 1.178 1.00 0.00 H new ATOM 0 HA GLU A 39 5.021 10.929 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.378 13.224 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.138 13.147 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.735 12.780 4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.311 11.127 4.168 1.00 0.00 H new ATOM 671 N LEU A 40 2.894 10.560 0.921 1.00 0.00 N ATOM 672 CA LEU A 40 1.941 9.639 0.316 1.00 0.00 C ATOM 673 C LEU A 40 2.535 8.247 0.189 1.00 0.00 C ATOM 674 O LEU A 40 1.820 7.251 0.283 1.00 0.00 O ATOM 675 CB LEU A 40 1.501 10.148 -1.052 1.00 0.00 C ATOM 676 CG LEU A 40 0.189 9.559 -1.571 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.426 10.472 -2.620 1.00 0.00 C ATOM 678 CD2 LEU A 40 0.416 8.164 -2.138 1.00 0.00 C ATOM 0 H LEU A 40 3.136 11.360 0.336 1.00 0.00 H new ATOM 0 HA LEU A 40 1.069 9.582 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.401 11.232 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.289 9.932 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.507 9.479 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.359 10.037 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.626 11.449 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.266 10.585 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.529 7.761 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.129 8.217 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.811 7.514 -1.357 1.00 0.00 H new ATOM 690 N ALA A 41 3.850 8.173 0.001 1.00 0.00 N ATOM 691 CA ALA A 41 4.517 6.885 -0.105 1.00 0.00 C ATOM 692 C ALA A 41 4.207 6.064 1.137 1.00 0.00 C ATOM 693 O ALA A 41 4.016 4.849 1.071 1.00 0.00 O ATOM 694 CB ALA A 41 6.019 7.068 -0.271 1.00 0.00 C ATOM 0 H ALA A 41 4.466 8.982 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 41 4.151 6.359 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.498 6.092 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.218 7.642 -1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.418 7.601 0.592 1.00 0.00 H new ATOM 700 N VAL A 42 4.122 6.759 2.266 1.00 0.00 N ATOM 701 CA VAL A 42 3.793 6.132 3.534 1.00 0.00 C ATOM 702 C VAL A 42 2.297 5.845 3.599 1.00 0.00 C ATOM 703 O VAL A 42 1.865 4.884 4.236 1.00 0.00 O ATOM 704 CB VAL A 42 4.196 7.027 4.724 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.803 6.385 6.050 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.689 7.319 4.688 1.00 0.00 C ATOM 0 H VAL A 42 4.278 7.765 2.325 1.00 0.00 H new ATOM 0 HA VAL A 42 4.352 5.199 3.601 1.00 0.00 H new ATOM 0 HB VAL A 42 3.657 7.971 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.099 7.037 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.724 6.235 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.305 5.423 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.957 7.952 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.244 6.383 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.937 7.832 3.759 1.00 0.00 H new ATOM 716 N PHE A 43 1.505 6.689 2.932 1.00 0.00 N ATOM 717 CA PHE A 43 0.059 6.524 2.917 1.00 0.00 C ATOM 718 C PHE A 43 -0.352 5.360 2.017 1.00 0.00 C ATOM 719 O PHE A 43 -1.152 4.512 2.409 1.00 0.00 O ATOM 720 CB PHE A 43 -0.607 7.813 2.439 1.00 0.00 C ATOM 721 CG PHE A 43 -2.055 7.912 2.814 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.467 7.650 4.111 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.003 8.266 1.871 1.00 0.00 C ATOM 724 CE1 PHE A 43 -3.800 7.740 4.459 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.337 8.358 2.213 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.737 8.095 3.510 1.00 0.00 C ATOM 0 H PHE A 43 1.845 7.489 2.399 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.269 6.302 3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.072 8.666 2.857 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.515 7.880 1.355 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.738 7.372 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.696 8.473 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.109 7.533 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.068 8.635 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.780 8.167 3.780 1.00 0.00 H new ATOM 736 N TYR A 44 0.202 5.330 0.809 1.00 0.00 N ATOM 737 CA TYR A 44 -0.106 4.275 -0.149 1.00 0.00 C ATOM 738 C TYR A 44 0.270 2.904 0.403 1.00 0.00 C ATOM 739 O TYR A 44 -0.520 1.961 0.343 1.00 0.00 O ATOM 740 CB TYR A 44 0.634 4.527 -1.466 1.00 0.00 C ATOM 741 CG TYR A 44 -0.133 4.074 -2.687 1.00 0.00 C ATOM 742 CD1 TYR A 44 -1.013 4.931 -3.336 1.00 0.00 C ATOM 743 CD2 TYR A 44 0.025 2.790 -3.193 1.00 0.00 C ATOM 744 CE1 TYR A 44 -1.715 4.521 -4.453 1.00 0.00 C ATOM 745 CE2 TYR A 44 -0.674 2.373 -4.310 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.542 3.241 -4.936 1.00 0.00 C ATOM 747 OH TYR A 44 -2.240 2.829 -6.049 1.00 0.00 O ATOM 0 H TYR A 44 0.867 6.025 0.470 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.181 4.287 -0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.847 5.592 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.594 4.011 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.151 5.934 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.705 2.107 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.396 5.200 -4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.540 1.371 -4.691 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.003 1.902 -6.259 1.00 0.00 H new ATOM 757 N SER A 45 1.482 2.798 0.940 1.00 0.00 N ATOM 758 CA SER A 45 1.964 1.540 1.500 1.00 0.00 C ATOM 759 C SER A 45 1.074 1.077 2.650 1.00 0.00 C ATOM 760 O SER A 45 0.832 -0.118 2.817 1.00 0.00 O ATOM 761 CB SER A 45 3.406 1.693 1.986 1.00 0.00 C ATOM 762 OG SER A 45 4.162 0.525 1.716 1.00 0.00 O ATOM 0 H SER A 45 2.148 3.568 0.999 1.00 0.00 H new ATOM 0 HA SER A 45 1.930 0.786 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.869 2.550 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.413 1.895 3.057 1.00 0.00 H new ATOM 0 HG SER A 45 5.080 0.649 2.035 1.00 0.00 H new ATOM 768 N ALA A 46 0.591 2.030 3.441 1.00 0.00 N ATOM 769 CA ALA A 46 -0.270 1.717 4.575 1.00 0.00 C ATOM 770 C ALA A 46 -1.644 1.247 4.108 1.00 0.00 C ATOM 771 O ALA A 46 -2.271 0.400 4.745 1.00 0.00 O ATOM 772 CB ALA A 46 -0.405 2.928 5.486 1.00 0.00 C ATOM 0 H ALA A 46 0.781 3.024 3.317 1.00 0.00 H new ATOM 0 HA ALA A 46 0.191 0.904 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.051 2.679 6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.579 3.217 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.840 3.757 4.927 1.00 0.00 H new ATOM 778 N ALA A 47 -2.107 1.803 2.994 1.00 0.00 N ATOM 779 CA ALA A 47 -3.408 1.442 2.444 1.00 0.00 C ATOM 780 C ALA A 47 -3.383 0.038 1.847 1.00 0.00 C ATOM 781 O ALA A 47 -4.357 -0.707 1.951 1.00 0.00 O ATOM 782 CB ALA A 47 -3.837 2.456 1.394 1.00 0.00 C ATOM 0 H ALA A 47 -1.601 2.505 2.454 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.133 1.449 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.810 2.174 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.905 3.444 1.849 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.104 2.477 0.588 1.00 0.00 H new ATOM 788 N ASP A 48 -2.266 -0.314 1.220 1.00 0.00 N ATOM 789 CA ASP A 48 -2.117 -1.628 0.605 1.00 0.00 C ATOM 790 C ASP A 48 -2.260 -2.736 1.644 1.00 0.00 C ATOM 791 O ASP A 48 -2.953 -3.727 1.417 1.00 0.00 O ATOM 792 CB ASP A 48 -0.760 -1.739 -0.092 1.00 0.00 C ATOM 793 CG ASP A 48 -0.827 -1.337 -1.552 1.00 0.00 C ATOM 794 OD1 ASP A 48 -1.454 -0.300 -1.855 1.00 0.00 O ATOM 795 OD2 ASP A 48 -0.252 -2.059 -2.393 1.00 0.00 O ATOM 0 H ASP A 48 -1.451 0.292 1.124 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.908 -1.745 -0.136 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.037 -1.107 0.423 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.398 -2.764 -0.016 1.00 0.00 H new ATOM 800 N HIS A 49 -1.601 -2.563 2.785 1.00 0.00 N ATOM 801 CA HIS A 49 -1.657 -3.549 3.857 1.00 0.00 C ATOM 802 C HIS A 49 -3.095 -3.779 4.311 1.00 0.00 C ATOM 803 O HIS A 49 -3.538 -4.919 4.450 1.00 0.00 O ATOM 804 CB HIS A 49 -0.802 -3.092 5.040 1.00 0.00 C ATOM 805 CG HIS A 49 0.630 -3.520 4.944 1.00 0.00 C ATOM 806 ND1 HIS A 49 1.686 -2.634 5.007 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.181 -4.747 4.787 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.823 -3.297 4.891 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.544 -4.581 4.758 1.00 0.00 N ATOM 0 H HIS A 49 -1.022 -1.749 2.991 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.263 -4.490 3.474 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.844 -2.005 5.110 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.230 -3.487 5.961 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.648 -5.682 4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.812 -2.863 4.903 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.230 -5.328 4.651 1.00 0.00 H new ATOM 818 N ARG A 50 -3.821 -2.688 4.536 1.00 0.00 N ATOM 819 CA ARG A 50 -5.210 -2.772 4.969 1.00 0.00 C ATOM 820 C ARG A 50 -6.085 -3.358 3.866 1.00 0.00 C ATOM 821 O ARG A 50 -7.014 -4.120 4.132 1.00 0.00 O ATOM 822 CB ARG A 50 -5.726 -1.389 5.371 1.00 0.00 C ATOM 823 CG ARG A 50 -6.514 -1.388 6.671 1.00 0.00 C ATOM 824 CD ARG A 50 -7.924 -1.924 6.472 1.00 0.00 C ATOM 825 NE ARG A 50 -8.936 -1.006 6.989 1.00 0.00 N ATOM 826 CZ ARG A 50 -9.271 -0.919 8.275 1.00 0.00 C ATOM 827 NH1 ARG A 50 -8.678 -1.691 9.177 1.00 0.00 N ATOM 828 NH2 ARG A 50 -10.203 -0.056 8.659 1.00 0.00 N ATOM 0 H ARG A 50 -3.470 -1.737 4.426 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.258 -3.432 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.880 -0.709 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.358 -1.000 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.995 -1.995 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -6.562 -0.374 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.100 -2.097 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.019 -2.888 6.972 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.414 -0.396 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.961 -2.356 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.939 -1.619 10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.662 0.540 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.461 0.012 9.644 1.00 0.00 H new ATOM 842 N LEU A 51 -5.778 -2.997 2.625 1.00 0.00 N ATOM 843 CA LEU A 51 -6.531 -3.489 1.478 1.00 0.00 C ATOM 844 C LEU A 51 -6.190 -4.950 1.194 1.00 0.00 C ATOM 845 O LEU A 51 -7.024 -5.709 0.699 1.00 0.00 O ATOM 846 CB LEU A 51 -6.236 -2.630 0.244 1.00 0.00 C ATOM 847 CG LEU A 51 -7.370 -1.692 -0.178 1.00 0.00 C ATOM 848 CD1 LEU A 51 -6.810 -0.387 -0.720 1.00 0.00 C ATOM 849 CD2 LEU A 51 -8.257 -2.365 -1.215 1.00 0.00 C ATOM 0 H LEU A 51 -5.013 -2.365 2.388 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.594 -3.422 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.345 -2.033 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.001 -3.290 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.976 -1.466 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.631 0.267 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.216 0.102 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.181 -0.593 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.058 -1.685 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.662 -2.620 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.687 -3.273 -0.792 1.00 0.00 H new ATOM 861 N ALA A 52 -4.957 -5.333 1.507 1.00 0.00 N ATOM 862 CA ALA A 52 -4.496 -6.698 1.285 1.00 0.00 C ATOM 863 C ALA A 52 -5.294 -7.699 2.114 1.00 0.00 C ATOM 864 O ALA A 52 -5.800 -8.690 1.587 1.00 0.00 O ATOM 865 CB ALA A 52 -3.015 -6.803 1.608 1.00 0.00 C ATOM 0 H ALA A 52 -4.257 -4.715 1.917 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.652 -6.942 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.678 -7.826 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.453 -6.125 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.850 -6.533 2.651 1.00 0.00 H new ATOM 871 N GLU A 53 -5.404 -7.437 3.412 1.00 0.00 N ATOM 872 CA GLU A 53 -6.144 -8.322 4.305 1.00 0.00 C ATOM 873 C GLU A 53 -7.634 -8.291 3.982 1.00 0.00 C ATOM 874 O GLU A 53 -8.336 -9.285 4.160 1.00 0.00 O ATOM 875 CB GLU A 53 -5.911 -7.929 5.766 1.00 0.00 C ATOM 876 CG GLU A 53 -6.040 -6.438 6.026 1.00 0.00 C ATOM 877 CD GLU A 53 -6.794 -6.133 7.305 1.00 0.00 C ATOM 878 OE1 GLU A 53 -8.033 -6.296 7.317 1.00 0.00 O ATOM 879 OE2 GLU A 53 -6.147 -5.731 8.294 1.00 0.00 O ATOM 0 H GLU A 53 -4.992 -6.623 3.868 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.779 -9.338 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.625 -8.461 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.916 -8.256 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.046 -5.995 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.552 -5.969 5.186 1.00 0.00 H new ATOM 886 N LEU A 54 -8.109 -7.147 3.501 1.00 0.00 N ATOM 887 CA LEU A 54 -9.516 -6.995 3.146 1.00 0.00 C ATOM 888 C LEU A 54 -9.905 -7.998 2.066 1.00 0.00 C ATOM 889 O LEU A 54 -10.983 -8.590 2.110 1.00 0.00 O ATOM 890 CB LEU A 54 -9.794 -5.570 2.664 1.00 0.00 C ATOM 891 CG LEU A 54 -11.129 -4.979 3.124 1.00 0.00 C ATOM 892 CD1 LEU A 54 -11.101 -4.700 4.619 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.445 -3.710 2.349 1.00 0.00 C ATOM 0 H LEU A 54 -7.542 -6.313 3.348 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.117 -7.188 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.989 -4.922 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.766 -5.559 1.574 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.915 -5.707 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.058 -4.280 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.921 -5.629 5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.304 -3.990 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.398 -3.304 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.657 -2.976 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.508 -3.939 1.285 1.00 0.00 H new ATOM 905 N THR A 55 -9.011 -8.186 1.102 1.00 0.00 N ATOM 906 CA THR A 55 -9.248 -9.122 0.008 1.00 0.00 C ATOM 907 C THR A 55 -8.902 -10.545 0.435 1.00 0.00 C ATOM 908 O THR A 55 -9.511 -11.510 -0.028 1.00 0.00 O ATOM 909 CB THR A 55 -8.420 -8.727 -1.217 1.00 0.00 C ATOM 910 OG1 THR A 55 -8.737 -7.410 -1.634 1.00 0.00 O ATOM 911 CG2 THR A 55 -8.628 -9.646 -2.402 1.00 0.00 C ATOM 0 H THR A 55 -8.114 -7.702 1.055 1.00 0.00 H new ATOM 0 HA THR A 55 -10.306 -9.084 -0.253 1.00 0.00 H new ATOM 0 HB THR A 55 -7.380 -8.801 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.303 -6.765 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.012 -9.310 -3.236 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.345 -10.662 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.677 -9.629 -2.696 1.00 0.00 H new ATOM 919 N MET A 56 -7.920 -10.665 1.323 1.00 0.00 N ATOM 920 CA MET A 56 -7.487 -11.966 1.821 1.00 0.00 C ATOM 921 C MET A 56 -8.171 -12.303 3.141 1.00 0.00 C ATOM 922 O MET A 56 -7.679 -13.129 3.909 1.00 0.00 O ATOM 923 CB MET A 56 -5.975 -11.973 2.019 1.00 0.00 C ATOM 924 CG MET A 56 -5.301 -13.247 1.538 1.00 0.00 C ATOM 925 SD MET A 56 -5.078 -13.282 -0.251 1.00 0.00 S ATOM 926 CE MET A 56 -3.291 -13.232 -0.371 1.00 0.00 C ATOM 0 H MET A 56 -7.408 -9.874 1.714 1.00 0.00 H new ATOM 0 HA MET A 56 -7.765 -12.718 1.082 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.544 -11.123 1.490 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.756 -11.834 3.078 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.330 -13.345 2.023 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.898 -14.107 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.969 -13.803 -1.242 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.962 -12.198 -0.473 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.854 -13.665 0.529 1.00 0.00 H new ATOM 936 N ASN A 57 -9.299 -11.652 3.404 1.00 0.00 N ATOM 937 CA ASN A 57 -10.047 -11.872 4.636 1.00 0.00 C ATOM 938 C ASN A 57 -9.360 -11.199 5.818 1.00 0.00 C ATOM 939 O ASN A 57 -9.877 -10.233 6.380 1.00 0.00 O ATOM 940 CB ASN A 57 -10.226 -13.369 4.913 1.00 0.00 C ATOM 941 CG ASN A 57 -10.737 -14.130 3.705 1.00 0.00 C ATOM 942 OD1 ASN A 57 -10.352 -13.848 2.570 1.00 0.00 O ATOM 943 ND2 ASN A 57 -11.613 -15.099 3.943 1.00 0.00 N ATOM 0 H ASN A 57 -9.717 -10.964 2.777 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.033 -11.425 4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.272 -13.793 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.922 -13.500 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.994 -15.643 3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.905 -15.299 4.900 1.00 0.00 H new ATOM 950 N LYS A 58 -8.193 -11.711 6.193 1.00 0.00 N ATOM 951 CA LYS A 58 -7.441 -11.153 7.310 1.00 0.00 C ATOM 952 C LYS A 58 -5.969 -11.540 7.227 1.00 0.00 C ATOM 953 O LYS A 58 -5.339 -11.840 8.241 1.00 0.00 O ATOM 954 CB LYS A 58 -8.027 -11.640 8.637 1.00 0.00 C ATOM 955 CG LYS A 58 -9.267 -10.876 9.084 1.00 0.00 C ATOM 956 CD LYS A 58 -9.038 -9.371 9.093 1.00 0.00 C ATOM 957 CE LYS A 58 -7.785 -8.996 9.870 1.00 0.00 C ATOM 958 NZ LYS A 58 -8.003 -7.804 10.736 1.00 0.00 N ATOM 0 H LYS A 58 -7.748 -12.510 5.741 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.517 -10.067 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.277 -12.697 8.546 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.264 -11.559 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.098 -11.112 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.555 -11.205 10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.952 -9.010 8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.902 -8.874 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.474 -9.840 10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.972 -8.794 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.125 -7.582 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.275 -6.992 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.761 -8.005 11.419 1.00 0.00 H new ATOM 972 N LEU A 59 -5.424 -11.535 6.016 1.00 0.00 N ATOM 973 CA LEU A 59 -4.024 -11.889 5.818 1.00 0.00 C ATOM 974 C LEU A 59 -3.244 -10.732 5.197 1.00 0.00 C ATOM 975 O LEU A 59 -3.526 -10.310 4.075 1.00 0.00 O ATOM 976 CB LEU A 59 -3.910 -13.136 4.935 1.00 0.00 C ATOM 977 CG LEU A 59 -2.487 -13.521 4.519 1.00 0.00 C ATOM 978 CD1 LEU A 59 -2.005 -12.639 3.377 1.00 0.00 C ATOM 979 CD2 LEU A 59 -1.534 -13.431 5.704 1.00 0.00 C ATOM 0 H LEU A 59 -5.926 -11.292 5.162 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.591 -12.104 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.355 -13.978 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.503 -12.978 4.034 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.503 -14.554 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.992 -12.928 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.668 -12.759 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.009 -11.597 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.529 -13.709 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.524 -12.410 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.866 -14.109 6.490 1.00 0.00 H new ATOM 991 N TYR A 60 -2.253 -10.235 5.931 1.00 0.00 N ATOM 992 CA TYR A 60 -1.420 -9.139 5.452 1.00 0.00 C ATOM 993 C TYR A 60 0.056 -9.425 5.730 1.00 0.00 C ATOM 994 O TYR A 60 0.384 -10.271 6.561 1.00 0.00 O ATOM 995 CB TYR A 60 -1.846 -7.813 6.087 1.00 0.00 C ATOM 996 CG TYR A 60 -1.245 -7.558 7.451 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.049 -7.073 7.574 1.00 0.00 C ATOM 998 CD2 TYR A 60 -1.971 -7.799 8.610 1.00 0.00 C ATOM 999 CE1 TYR A 60 0.607 -6.836 8.816 1.00 0.00 C ATOM 1000 CE2 TYR A 60 -1.421 -7.564 9.856 1.00 0.00 C ATOM 1001 CZ TYR A 60 -0.133 -7.083 9.954 1.00 0.00 C ATOM 1002 OH TYR A 60 0.417 -6.846 11.193 1.00 0.00 O ATOM 0 H TYR A 60 -2.008 -10.575 6.861 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.555 -9.054 4.374 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.566 -6.997 5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.933 -7.796 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.630 -6.877 6.685 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.981 -8.176 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.616 -6.460 8.895 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.998 -7.756 10.749 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.235 -7.070 11.889 1.00 0.00 H new ATOM 1012 N ASP A 61 0.937 -8.716 5.023 1.00 0.00 N ATOM 1013 CA ASP A 61 2.385 -8.879 5.174 1.00 0.00 C ATOM 1014 C ASP A 61 2.908 -9.991 4.270 1.00 0.00 C ATOM 1015 O ASP A 61 3.955 -9.845 3.637 1.00 0.00 O ATOM 1016 CB ASP A 61 2.762 -9.166 6.632 1.00 0.00 C ATOM 1017 CG ASP A 61 4.170 -8.713 6.964 1.00 0.00 C ATOM 1018 OD1 ASP A 61 5.109 -9.518 6.789 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.334 -7.553 7.397 1.00 0.00 O ATOM 0 H ASP A 61 0.669 -8.015 4.332 1.00 0.00 H new ATOM 0 HA ASP A 61 2.851 -7.940 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.056 -8.663 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.672 -10.235 6.824 1.00 0.00 H new ATOM 1024 N LYS A 62 2.176 -11.098 4.208 1.00 0.00 N ATOM 1025 CA LYS A 62 2.570 -12.228 3.376 1.00 0.00 C ATOM 1026 C LYS A 62 1.889 -12.168 2.009 1.00 0.00 C ATOM 1027 O LYS A 62 1.835 -13.168 1.293 1.00 0.00 O ATOM 1028 CB LYS A 62 2.227 -13.544 4.076 1.00 0.00 C ATOM 1029 CG LYS A 62 3.438 -14.260 4.652 1.00 0.00 C ATOM 1030 CD LYS A 62 3.726 -15.557 3.913 1.00 0.00 C ATOM 1031 CE LYS A 62 5.116 -16.082 4.233 1.00 0.00 C ATOM 1032 NZ LYS A 62 5.533 -17.160 3.293 1.00 0.00 N ATOM 0 H LYS A 62 1.307 -11.236 4.724 1.00 0.00 H new ATOM 0 HA LYS A 62 3.648 -12.175 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.517 -13.345 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.728 -14.204 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.309 -13.607 4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.268 -14.472 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.982 -16.305 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.636 -15.393 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.833 -15.262 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.134 -16.464 5.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.486 -17.491 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.863 -17.953 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.541 -16.789 2.321 1.00 0.00 H new ATOM 1046 N ILE A 63 1.373 -10.994 1.650 1.00 0.00 N ATOM 1047 CA ILE A 63 0.703 -10.817 0.367 1.00 0.00 C ATOM 1048 C ILE A 63 1.666 -11.077 -0.791 1.00 0.00 C ATOM 1049 O ILE A 63 2.589 -10.297 -1.023 1.00 0.00 O ATOM 1050 CB ILE A 63 0.122 -9.394 0.223 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -0.778 -9.054 1.416 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -0.650 -9.267 -1.083 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.309 -7.848 2.201 1.00 0.00 C ATOM 0 H ILE A 63 1.407 -10.155 2.229 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.113 -11.538 0.334 1.00 0.00 H new ATOM 0 HB ILE A 63 0.949 -8.684 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.791 -8.872 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.826 -9.915 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.054 -8.258 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.018 -9.464 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.468 -9.987 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.993 -7.665 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.692 -8.034 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.288 -6.975 1.549 1.00 0.00 H new ATOM 1065 N PRO A 64 1.467 -12.179 -1.538 1.00 0.00 N ATOM 1066 CA PRO A 64 2.329 -12.525 -2.673 1.00 0.00 C ATOM 1067 C PRO A 64 2.361 -11.424 -3.726 1.00 0.00 C ATOM 1068 O PRO A 64 1.752 -10.369 -3.555 1.00 0.00 O ATOM 1069 CB PRO A 64 1.689 -13.794 -3.245 1.00 0.00 C ATOM 1070 CG PRO A 64 0.875 -14.353 -2.128 1.00 0.00 C ATOM 1071 CD PRO A 64 0.394 -13.170 -1.339 1.00 0.00 C ATOM 0 HA PRO A 64 3.366 -12.662 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.067 -13.567 -4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.447 -14.504 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.036 -14.936 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.471 -15.021 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -0.566 -12.804 -1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.261 -13.415 -0.285 1.00 0.00 H new ATOM 1079 N SER A 65 3.077 -11.676 -4.817 1.00 0.00 N ATOM 1080 CA SER A 65 3.189 -10.703 -5.898 1.00 0.00 C ATOM 1081 C SER A 65 2.078 -10.899 -6.924 1.00 0.00 C ATOM 1082 O SER A 65 1.633 -9.944 -7.560 1.00 0.00 O ATOM 1083 CB SER A 65 4.554 -10.820 -6.579 1.00 0.00 C ATOM 1084 OG SER A 65 4.710 -12.085 -7.197 1.00 0.00 O ATOM 0 H SER A 65 3.588 -12.544 -4.976 1.00 0.00 H new ATOM 0 HA SER A 65 3.090 -9.707 -5.467 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.660 -10.032 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.345 -10.671 -5.843 1.00 0.00 H new ATOM 0 HG SER A 65 5.590 -12.133 -7.626 1.00 0.00 H new ATOM 1090 N SER A 66 1.633 -12.142 -7.081 1.00 0.00 N ATOM 1091 CA SER A 66 0.574 -12.461 -8.032 1.00 0.00 C ATOM 1092 C SER A 66 -0.782 -11.980 -7.523 1.00 0.00 C ATOM 1093 O SER A 66 -1.578 -11.428 -8.281 1.00 0.00 O ATOM 1094 CB SER A 66 0.529 -13.968 -8.290 1.00 0.00 C ATOM 1095 OG SER A 66 0.013 -14.249 -9.580 1.00 0.00 O ATOM 0 H SER A 66 1.989 -12.944 -6.562 1.00 0.00 H new ATOM 0 HA SER A 66 0.794 -11.945 -8.966 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.531 -14.386 -8.197 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.090 -14.451 -7.534 1.00 0.00 H new ATOM 0 HG SER A 66 -0.004 -15.219 -9.721 1.00 0.00 H new ATOM 1101 N VAL A 67 -1.038 -12.197 -6.236 1.00 0.00 N ATOM 1102 CA VAL A 67 -2.300 -11.787 -5.630 1.00 0.00 C ATOM 1103 C VAL A 67 -2.537 -10.290 -5.804 1.00 0.00 C ATOM 1104 O VAL A 67 -3.538 -9.873 -6.387 1.00 0.00 O ATOM 1105 CB VAL A 67 -2.342 -12.131 -4.129 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -3.722 -11.854 -3.554 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -1.945 -13.583 -3.906 1.00 0.00 C ATOM 0 H VAL A 67 -0.390 -12.653 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.088 -12.338 -6.144 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.625 -11.496 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.731 -12.103 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.964 -10.799 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.462 -12.461 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.980 -13.810 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.637 -14.235 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.934 -13.745 -4.279 1.00 0.00 H new ATOM 1117 N TRP A 68 -1.608 -9.486 -5.297 1.00 0.00 N ATOM 1118 CA TRP A 68 -1.716 -8.034 -5.399 1.00 0.00 C ATOM 1119 C TRP A 68 -1.817 -7.599 -6.859 1.00 0.00 C ATOM 1120 O TRP A 68 -2.498 -6.626 -7.183 1.00 0.00 O ATOM 1121 CB TRP A 68 -0.511 -7.365 -4.733 1.00 0.00 C ATOM 1122 CG TRP A 68 -0.877 -6.488 -3.575 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -0.164 -6.318 -2.423 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -2.039 -5.659 -3.455 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -0.811 -5.436 -1.595 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -1.965 -5.016 -2.205 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -3.136 -5.396 -4.281 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -2.943 -4.129 -1.763 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -4.106 -4.515 -3.842 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -4.004 -3.890 -2.593 1.00 0.00 C ATOM 0 H TRP A 68 -0.773 -9.814 -4.812 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.624 -7.722 -4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 68 0.179 -8.136 -4.390 1.00 0.00 H new ATOM 0 HB3 TRP A 68 0.020 -6.769 -5.476 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.772 -6.806 -2.197 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.486 -5.140 -0.674 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.224 -5.873 -5.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.867 -3.647 -0.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.957 -4.305 -4.473 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.778 -3.206 -2.279 1.00 0.00 H new ATOM 1141 N LYS A 69 -1.136 -8.328 -7.735 1.00 0.00 N ATOM 1142 CA LYS A 69 -1.150 -8.019 -9.161 1.00 0.00 C ATOM 1143 C LYS A 69 -2.568 -8.092 -9.718 1.00 0.00 C ATOM 1144 O LYS A 69 -2.968 -7.264 -10.536 1.00 0.00 O ATOM 1145 CB LYS A 69 -0.235 -8.981 -9.922 1.00 0.00 C ATOM 1146 CG LYS A 69 0.911 -8.289 -10.641 1.00 0.00 C ATOM 1147 CD LYS A 69 0.533 -7.921 -12.066 1.00 0.00 C ATOM 1148 CE LYS A 69 -0.137 -6.558 -12.129 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.097 -5.981 -13.502 1.00 0.00 N ATOM 0 H LYS A 69 -0.567 -9.137 -7.484 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.781 -7.002 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.173 -9.711 -9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.828 -9.534 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.194 -7.389 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.783 -8.943 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.426 -7.918 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.139 -8.677 -12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.173 -6.648 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.358 -5.878 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.564 -5.052 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.892 -5.871 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.591 -6.617 -14.160 1.00 0.00 H new ATOM 1163 N PHE A 70 -3.323 -9.089 -9.269 1.00 0.00 N ATOM 1164 CA PHE A 70 -4.697 -9.271 -9.722 1.00 0.00 C ATOM 1165 C PHE A 70 -5.624 -8.252 -9.068 1.00 0.00 C ATOM 1166 O PHE A 70 -6.490 -7.674 -9.724 1.00 0.00 O ATOM 1167 CB PHE A 70 -5.176 -10.689 -9.410 1.00 0.00 C ATOM 1168 CG PHE A 70 -6.491 -11.032 -10.051 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -6.551 -11.388 -11.389 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -7.664 -11.000 -9.316 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -7.759 -11.705 -11.981 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -8.875 -11.316 -9.903 1.00 0.00 C ATOM 1173 CZ PHE A 70 -8.922 -11.669 -11.237 1.00 0.00 C ATOM 0 H PHE A 70 -3.007 -9.783 -8.592 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.721 -9.117 -10.801 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.421 -11.401 -9.744 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.266 -10.804 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.644 -11.418 -11.975 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.632 -10.725 -8.272 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.793 -11.981 -13.025 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.783 -11.287 -9.319 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.867 -11.917 -11.698 1.00 0.00 H new ATOM 1183 N ILE A 71 -5.436 -8.036 -7.769 1.00 0.00 N ATOM 1184 CA ILE A 71 -6.255 -7.086 -7.027 1.00 0.00 C ATOM 1185 C ILE A 71 -5.998 -5.658 -7.496 1.00 0.00 C ATOM 1186 O ILE A 71 -4.850 -5.234 -7.627 1.00 0.00 O ATOM 1187 CB ILE A 71 -5.985 -7.174 -5.512 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -6.109 -8.621 -5.030 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -6.945 -6.273 -4.747 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -5.216 -8.943 -3.851 1.00 0.00 C ATOM 0 H ILE A 71 -4.724 -8.506 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.296 -7.347 -7.218 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.967 -6.833 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.145 -8.816 -4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.866 -9.292 -5.854 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.741 -6.347 -3.679 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.812 -5.241 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.971 -6.585 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.356 -9.985 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.175 -8.780 -4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.474 -8.297 -3.012 1.00 0.00 H new ATOM 1202 N ARG A 72 -7.075 -4.920 -7.749 1.00 0.00 N ATOM 1203 CA ARG A 72 -6.965 -3.540 -8.204 1.00 0.00 C ATOM 1204 C ARG A 72 -7.152 -2.568 -7.044 1.00 0.00 C ATOM 1205 O ARG A 72 -8.307 -2.394 -6.601 1.00 0.00 O ATOM 1206 CB ARG A 72 -8.000 -3.256 -9.295 1.00 0.00 C ATOM 1207 CG ARG A 72 -7.877 -4.173 -10.501 1.00 0.00 C ATOM 1208 CD ARG A 72 -9.228 -4.419 -11.155 1.00 0.00 C ATOM 1209 NE ARG A 72 -9.140 -4.404 -12.613 1.00 0.00 N ATOM 1210 CZ ARG A 72 -9.069 -3.291 -13.340 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -9.077 -2.102 -12.749 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -8.987 -3.366 -14.661 1.00 0.00 N ATOM 1213 OXT ARG A 72 -6.143 -1.991 -6.588 1.00 0.00 O ATOM 0 H ARG A 72 -8.033 -5.255 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.966 -3.398 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.999 -3.357 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.896 -2.222 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.195 -3.731 -11.227 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.442 -5.124 -10.193 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.621 -5.381 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.934 -3.657 -10.826 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.133 -5.299 -13.103 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.138 -2.038 -11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.022 -1.253 -13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.978 -4.277 -15.121 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.933 -2.513 -15.218 1.00 0.00 H new TER 1227 ARG A 72