USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 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 11 TYR OH : rot -1:sc= 1.2 USER MOD Set 1.2: A 31 ASN : amide:sc= -3.45 K(o=-2.3,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.112 (180deg=-0.595) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0414) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 174:sc= -1.84 (180deg=-1.99) USER MOD Single : A 18 CYS SG : rot 110:sc= -0.923 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.266 X(o=-0.27,f=0) 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= -0.149 X(o=-0.15,f=-0.45) USER MOD Single : A 55 THR OG1 : rot 79:sc= -1.39 USER MOD Single : A 56 MET CE :methyl 160:sc= -12! (180deg=-13.9!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 154:sc= 0.501 (180deg=0.118) 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 8.138 6.395 16.554 1.00 0.00 N ATOM 2 CA MET A 1 8.753 7.496 15.768 1.00 0.00 C ATOM 3 C MET A 1 10.212 7.195 15.444 1.00 0.00 C ATOM 4 O MET A 1 11.067 7.194 16.330 1.00 0.00 O ATOM 5 CB MET A 1 8.647 8.790 16.577 1.00 0.00 C ATOM 6 CG MET A 1 9.429 8.759 17.880 1.00 0.00 C ATOM 7 SD MET A 1 8.557 9.569 19.235 1.00 0.00 S ATOM 8 CE MET A 1 9.931 10.077 20.265 1.00 0.00 C ATOM 0 H1 MET A 1 7.374 6.777 17.148 1.00 0.00 H new ATOM 0 H2 MET A 1 7.749 5.681 15.906 1.00 0.00 H new ATOM 0 H3 MET A 1 8.860 5.955 17.160 1.00 0.00 H new ATOM 0 HA MET A 1 8.222 7.600 14.822 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.005 9.620 15.968 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.598 8.986 16.797 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.633 7.723 18.152 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.393 9.245 17.732 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.553 10.594 21.147 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.498 9.199 20.574 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.580 10.748 19.701 1.00 0.00 H new ATOM 20 N SER A 2 10.491 6.938 14.171 1.00 0.00 N ATOM 21 CA SER A 2 11.848 6.634 13.731 1.00 0.00 C ATOM 22 C SER A 2 12.350 7.681 12.741 1.00 0.00 C ATOM 23 O SER A 2 13.514 8.077 12.779 1.00 0.00 O ATOM 24 CB SER A 2 11.899 5.246 13.091 1.00 0.00 C ATOM 25 OG SER A 2 12.197 4.250 14.055 1.00 0.00 O ATOM 0 H SER A 2 9.795 6.934 13.425 1.00 0.00 H new ATOM 0 HA SER A 2 12.497 6.649 14.606 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.942 5.025 12.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.653 5.232 12.304 1.00 0.00 H new ATOM 0 HG SER A 2 12.222 3.372 13.621 1.00 0.00 H new ATOM 31 N GLU A 3 11.463 8.126 11.856 1.00 0.00 N ATOM 32 CA GLU A 3 11.818 9.128 10.857 1.00 0.00 C ATOM 33 C GLU A 3 11.088 10.441 11.119 1.00 0.00 C ATOM 34 O GLU A 3 9.954 10.446 11.601 1.00 0.00 O ATOM 35 CB GLU A 3 11.486 8.616 9.454 1.00 0.00 C ATOM 36 CG GLU A 3 12.246 9.335 8.349 1.00 0.00 C ATOM 37 CD GLU A 3 13.043 8.386 7.475 1.00 0.00 C ATOM 38 OE1 GLU A 3 14.178 8.036 7.862 1.00 0.00 O ATOM 39 OE2 GLU A 3 12.535 7.995 6.405 1.00 0.00 O ATOM 0 H GLU A 3 10.495 7.809 11.810 1.00 0.00 H new ATOM 0 HA GLU A 3 12.890 9.311 10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.709 7.550 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.416 8.727 9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.541 9.888 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.921 10.066 8.794 1.00 0.00 H new ATOM 46 N LYS A 4 11.742 11.552 10.800 1.00 0.00 N ATOM 47 CA LYS A 4 11.152 12.871 11.001 1.00 0.00 C ATOM 48 C LYS A 4 9.829 12.996 10.248 1.00 0.00 C ATOM 49 O LYS A 4 8.781 13.220 10.853 1.00 0.00 O ATOM 50 CB LYS A 4 12.123 13.965 10.547 1.00 0.00 C ATOM 51 CG LYS A 4 12.502 14.937 11.653 1.00 0.00 C ATOM 52 CD LYS A 4 12.930 16.281 11.090 1.00 0.00 C ATOM 53 CE LYS A 4 13.424 17.212 12.186 1.00 0.00 C ATOM 54 NZ LYS A 4 14.881 17.043 12.443 1.00 0.00 N ATOM 0 H LYS A 4 12.681 11.566 10.401 1.00 0.00 H new ATOM 0 HA LYS A 4 10.954 12.995 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.028 13.498 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.673 14.521 9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.654 15.076 12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.313 14.515 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 4 13.720 16.133 10.353 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.091 16.743 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.223 18.245 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.869 17.019 13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.179 17.695 13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.070 16.064 12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.413 17.252 11.574 1.00 0.00 H new ATOM 68 N PRO A 5 9.861 12.851 8.911 1.00 0.00 N ATOM 69 CA PRO A 5 8.658 12.947 8.079 1.00 0.00 C ATOM 70 C PRO A 5 7.752 11.727 8.223 1.00 0.00 C ATOM 71 O PRO A 5 7.440 11.053 7.241 1.00 0.00 O ATOM 72 CB PRO A 5 9.220 13.033 6.660 1.00 0.00 C ATOM 73 CG PRO A 5 10.528 12.324 6.729 1.00 0.00 C ATOM 74 CD PRO A 5 11.070 12.582 8.109 1.00 0.00 C ATOM 0 HA PRO A 5 8.034 13.796 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.551 12.562 5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.347 14.069 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.402 11.256 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.213 12.694 5.966 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.621 11.723 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.755 13.430 8.119 1.00 0.00 H new ATOM 82 N LEU A 6 7.329 11.449 9.453 1.00 0.00 N ATOM 83 CA LEU A 6 6.455 10.313 9.728 1.00 0.00 C ATOM 84 C LEU A 6 7.087 9.005 9.262 1.00 0.00 C ATOM 85 O LEU A 6 8.044 9.005 8.487 1.00 0.00 O ATOM 86 CB LEU A 6 5.100 10.509 9.046 1.00 0.00 C ATOM 87 CG LEU A 6 4.162 11.496 9.743 1.00 0.00 C ATOM 88 CD1 LEU A 6 3.824 11.011 11.145 1.00 0.00 C ATOM 89 CD2 LEU A 6 4.791 12.881 9.793 1.00 0.00 C ATOM 0 H LEU A 6 7.578 11.996 10.277 1.00 0.00 H new ATOM 0 HA LEU A 6 6.309 10.257 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.270 10.852 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.601 9.542 8.979 1.00 0.00 H new ATOM 0 HG LEU A 6 3.237 11.558 9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.156 11.725 11.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.334 10.039 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.740 10.920 11.729 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.111 13.572 10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.730 12.834 10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.983 13.230 8.778 1.00 0.00 H new ATOM 101 N THR A 7 6.540 7.892 9.739 1.00 0.00 N ATOM 102 CA THR A 7 7.042 6.572 9.373 1.00 0.00 C ATOM 103 C THR A 7 5.915 5.694 8.836 1.00 0.00 C ATOM 104 O THR A 7 4.740 6.049 8.932 1.00 0.00 O ATOM 105 CB THR A 7 7.699 5.901 10.582 1.00 0.00 C ATOM 106 OG1 THR A 7 7.166 6.412 11.790 1.00 0.00 O ATOM 107 CG2 THR A 7 9.201 6.086 10.626 1.00 0.00 C ATOM 0 H THR A 7 5.748 7.878 10.381 1.00 0.00 H new ATOM 0 HA THR A 7 7.787 6.696 8.587 1.00 0.00 H new ATOM 0 HB THR A 7 7.484 4.838 10.475 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.597 5.970 12.551 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.603 5.586 11.507 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.647 5.656 9.729 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.435 7.149 10.673 1.00 0.00 H new ATOM 115 N LYS A 8 6.282 4.550 8.270 1.00 0.00 N ATOM 116 CA LYS A 8 5.304 3.622 7.714 1.00 0.00 C ATOM 117 C LYS A 8 4.398 3.058 8.806 1.00 0.00 C ATOM 118 O LYS A 8 3.245 2.712 8.550 1.00 0.00 O ATOM 119 CB LYS A 8 6.012 2.480 6.984 1.00 0.00 C ATOM 120 CG LYS A 8 6.377 2.811 5.547 1.00 0.00 C ATOM 121 CD LYS A 8 7.686 2.154 5.137 1.00 0.00 C ATOM 122 CE LYS A 8 8.056 2.498 3.704 1.00 0.00 C ATOM 123 NZ LYS A 8 8.465 3.922 3.561 1.00 0.00 N ATOM 0 H LYS A 8 7.251 4.243 8.184 1.00 0.00 H new ATOM 0 HA LYS A 8 4.685 4.172 7.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.919 2.218 7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.369 1.600 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.579 2.480 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.460 3.892 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.482 2.477 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.600 1.072 5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.870 1.852 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.206 2.298 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.806 4.090 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.650 4.538 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.226 4.134 4.237 1.00 0.00 H new ATOM 137 N THR A 9 4.926 2.966 10.022 1.00 0.00 N ATOM 138 CA THR A 9 4.162 2.440 11.148 1.00 0.00 C ATOM 139 C THR A 9 3.213 3.496 11.708 1.00 0.00 C ATOM 140 O THR A 9 2.106 3.179 12.144 1.00 0.00 O ATOM 141 CB THR A 9 5.106 1.951 12.247 1.00 0.00 C ATOM 142 OG1 THR A 9 4.378 1.327 13.291 1.00 0.00 O ATOM 143 CG2 THR A 9 5.934 3.058 12.864 1.00 0.00 C ATOM 0 H THR A 9 5.879 3.248 10.253 1.00 0.00 H new ATOM 0 HA THR A 9 3.567 1.600 10.788 1.00 0.00 H new ATOM 0 HB THR A 9 5.779 1.247 11.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.999 1.019 13.984 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.581 2.641 13.636 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.545 3.528 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.273 3.803 13.308 1.00 0.00 H new ATOM 151 N ASP A 10 3.652 4.750 11.694 1.00 0.00 N ATOM 152 CA ASP A 10 2.841 5.850 12.205 1.00 0.00 C ATOM 153 C ASP A 10 1.500 5.924 11.477 1.00 0.00 C ATOM 154 O ASP A 10 0.444 5.988 12.106 1.00 0.00 O ATOM 155 CB ASP A 10 3.592 7.175 12.057 1.00 0.00 C ATOM 156 CG ASP A 10 4.073 7.719 13.388 1.00 0.00 C ATOM 157 OD1 ASP A 10 3.220 8.058 14.234 1.00 0.00 O ATOM 158 OD2 ASP A 10 5.304 7.804 13.584 1.00 0.00 O ATOM 0 H ASP A 10 4.564 5.030 11.335 1.00 0.00 H new ATOM 0 HA ASP A 10 2.648 5.666 13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.447 7.033 11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.940 7.908 11.582 1.00 0.00 H new ATOM 163 N TYR A 11 1.552 5.914 10.149 1.00 0.00 N ATOM 164 CA TYR A 11 0.342 5.978 9.338 1.00 0.00 C ATOM 165 C TYR A 11 -0.371 4.630 9.326 1.00 0.00 C ATOM 166 O TYR A 11 -1.590 4.559 9.479 1.00 0.00 O ATOM 167 CB TYR A 11 0.681 6.405 7.908 1.00 0.00 C ATOM 168 CG TYR A 11 0.410 7.866 7.631 1.00 0.00 C ATOM 169 CD1 TYR A 11 1.362 8.836 7.915 1.00 0.00 C ATOM 170 CD2 TYR A 11 -0.802 8.275 7.085 1.00 0.00 C ATOM 171 CE1 TYR A 11 1.117 10.173 7.663 1.00 0.00 C ATOM 172 CE2 TYR A 11 -1.055 9.609 6.830 1.00 0.00 C ATOM 173 CZ TYR A 11 -0.093 10.553 7.120 1.00 0.00 C ATOM 174 OH TYR A 11 -0.341 11.883 6.868 1.00 0.00 O ATOM 0 H TYR A 11 2.418 5.862 9.612 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.325 6.719 9.779 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.734 6.197 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.103 5.799 7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.310 8.541 8.340 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.558 7.538 6.857 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.868 10.915 7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.001 9.911 6.406 1.00 0.00 H new ATOM 0 HH TYR A 11 0.431 12.418 7.146 1.00 0.00 H new ATOM 184 N LEU A 12 0.400 3.563 9.144 1.00 0.00 N ATOM 185 CA LEU A 12 -0.155 2.213 9.113 1.00 0.00 C ATOM 186 C LEU A 12 -0.952 1.922 10.382 1.00 0.00 C ATOM 187 O LEU A 12 -2.017 1.306 10.331 1.00 0.00 O ATOM 188 CB LEU A 12 0.968 1.184 8.957 1.00 0.00 C ATOM 189 CG LEU A 12 0.519 -0.278 8.997 1.00 0.00 C ATOM 190 CD1 LEU A 12 -0.005 -0.713 7.637 1.00 0.00 C ATOM 191 CD2 LEU A 12 1.665 -1.174 9.439 1.00 0.00 C ATOM 0 H LEU A 12 1.411 3.606 9.016 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.828 2.142 8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.477 1.366 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.700 1.345 9.749 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.290 -0.370 9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.320 -1.756 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.855 -0.090 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.783 -0.606 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.328 -2.210 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.494 -1.077 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.995 -0.878 10.435 1.00 0.00 H new ATOM 203 N MET A 13 -0.428 2.370 11.518 1.00 0.00 N ATOM 204 CA MET A 13 -1.088 2.159 12.800 1.00 0.00 C ATOM 205 C MET A 13 -2.333 3.031 12.924 1.00 0.00 C ATOM 206 O MET A 13 -3.356 2.598 13.453 1.00 0.00 O ATOM 207 CB MET A 13 -0.124 2.460 13.949 1.00 0.00 C ATOM 208 CG MET A 13 1.017 1.462 14.062 1.00 0.00 C ATOM 209 SD MET A 13 0.698 0.176 15.285 1.00 0.00 S ATOM 210 CE MET A 13 -0.923 -0.385 14.771 1.00 0.00 C ATOM 0 H MET A 13 0.452 2.882 11.576 1.00 0.00 H new ATOM 0 HA MET A 13 -1.393 1.114 12.854 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.290 3.459 13.813 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.681 2.471 14.886 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.187 0.999 13.090 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.932 1.991 14.327 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.213 -1.252 15.364 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.649 0.415 14.919 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.896 -0.660 13.716 1.00 0.00 H new ATOM 220 N ARG A 14 -2.238 4.262 12.433 1.00 0.00 N ATOM 221 CA ARG A 14 -3.357 5.195 12.490 1.00 0.00 C ATOM 222 C ARG A 14 -4.430 4.822 11.471 1.00 0.00 C ATOM 223 O ARG A 14 -5.618 5.051 11.695 1.00 0.00 O ATOM 224 CB ARG A 14 -2.868 6.624 12.242 1.00 0.00 C ATOM 225 CG ARG A 14 -3.294 7.609 13.319 1.00 0.00 C ATOM 226 CD ARG A 14 -2.186 8.597 13.643 1.00 0.00 C ATOM 227 NE ARG A 14 -2.223 9.023 15.041 1.00 0.00 N ATOM 228 CZ ARG A 14 -1.237 9.685 15.641 1.00 0.00 C ATOM 229 NH1 ARG A 14 -0.134 9.998 14.970 1.00 0.00 N ATOM 230 NH2 ARG A 14 -1.352 10.036 16.914 1.00 0.00 N ATOM 0 H ARG A 14 -1.398 4.637 11.991 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.797 5.138 13.486 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.780 6.620 12.175 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.246 6.966 11.279 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.180 8.151 12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.572 7.065 14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.220 8.141 13.429 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.277 9.469 12.996 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.054 8.800 15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.040 9.731 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.619 10.506 15.435 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.197 9.799 17.434 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.596 10.543 17.373 1.00 0.00 H new ATOM 244 N LEU A 15 -4.002 4.248 10.351 1.00 0.00 N ATOM 245 CA LEU A 15 -4.926 3.844 9.299 1.00 0.00 C ATOM 246 C LEU A 15 -5.923 2.811 9.818 1.00 0.00 C ATOM 247 O LEU A 15 -7.124 2.914 9.569 1.00 0.00 O ATOM 248 CB LEU A 15 -4.157 3.274 8.105 1.00 0.00 C ATOM 249 CG LEU A 15 -4.729 3.639 6.733 1.00 0.00 C ATOM 250 CD1 LEU A 15 -3.608 3.877 5.734 1.00 0.00 C ATOM 251 CD2 LEU A 15 -5.663 2.544 6.239 1.00 0.00 C ATOM 0 H LEU A 15 -3.021 4.053 10.149 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.479 4.727 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.126 3.623 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.131 2.188 8.194 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.301 4.561 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.034 4.135 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.977 4.695 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.008 2.972 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.061 2.819 5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.113 1.607 6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.485 2.421 6.944 1.00 0.00 H new ATOM 263 N ARG A 16 -5.416 1.819 10.542 1.00 0.00 N ATOM 264 CA ARG A 16 -6.262 0.769 11.098 1.00 0.00 C ATOM 265 C ARG A 16 -7.063 1.281 12.293 1.00 0.00 C ATOM 266 O ARG A 16 -8.052 0.669 12.695 1.00 0.00 O ATOM 267 CB ARG A 16 -5.410 -0.430 11.518 1.00 0.00 C ATOM 268 CG ARG A 16 -6.139 -1.761 11.410 1.00 0.00 C ATOM 269 CD ARG A 16 -5.820 -2.673 12.585 1.00 0.00 C ATOM 270 NE ARG A 16 -7.031 -3.167 13.237 1.00 0.00 N ATOM 271 CZ ARG A 16 -7.030 -3.856 14.376 1.00 0.00 C ATOM 272 NH1 ARG A 16 -5.887 -4.134 14.991 1.00 0.00 N ATOM 273 NH2 ARG A 16 -8.176 -4.267 14.902 1.00 0.00 N ATOM 0 H ARG A 16 -4.424 1.720 10.758 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.963 0.458 10.324 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.514 -0.464 10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.080 -0.288 12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.214 -1.585 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.859 -2.255 10.479 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.225 -3.517 12.238 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.213 -2.131 13.310 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.929 -2.973 12.794 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.003 -3.819 14.591 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.893 -4.662 15.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.057 -4.055 14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.176 -4.795 15.775 1.00 0.00 H new ATOM 287 N ARG A 17 -6.632 2.407 12.860 1.00 0.00 N ATOM 288 CA ARG A 17 -7.313 2.996 14.009 1.00 0.00 C ATOM 289 C ARG A 17 -8.796 3.210 13.719 1.00 0.00 C ATOM 290 O ARG A 17 -9.625 3.184 14.629 1.00 0.00 O ATOM 291 CB ARG A 17 -6.658 4.326 14.388 1.00 0.00 C ATOM 292 CG ARG A 17 -6.869 4.716 15.843 1.00 0.00 C ATOM 293 CD ARG A 17 -6.093 5.972 16.201 1.00 0.00 C ATOM 294 NE ARG A 17 -6.690 6.683 17.329 1.00 0.00 N ATOM 295 CZ ARG A 17 -7.757 7.471 17.227 1.00 0.00 C ATOM 296 NH1 ARG A 17 -8.346 7.654 16.051 1.00 0.00 N ATOM 297 NH2 ARG A 17 -8.237 8.080 18.304 1.00 0.00 N ATOM 0 H ARG A 17 -5.815 2.928 12.542 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.225 2.302 14.845 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.588 4.264 14.189 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.057 5.113 13.748 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.931 4.878 16.027 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.555 3.897 16.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.064 5.705 16.444 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.055 6.633 15.335 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.264 6.569 18.249 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.981 7.189 15.220 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.164 8.259 15.979 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.788 7.944 19.210 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.055 8.684 18.226 1.00 0.00 H new ATOM 311 N CYS A 18 -9.124 3.423 12.449 1.00 0.00 N ATOM 312 CA CYS A 18 -10.509 3.640 12.046 1.00 0.00 C ATOM 313 C CYS A 18 -11.380 2.448 12.430 1.00 0.00 C ATOM 314 O CYS A 18 -10.877 1.348 12.659 1.00 0.00 O ATOM 315 CB CYS A 18 -10.591 3.886 10.537 1.00 0.00 C ATOM 316 SG CYS A 18 -10.674 5.633 10.079 1.00 0.00 S ATOM 0 H CYS A 18 -8.452 3.450 11.683 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.881 4.521 12.570 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.721 3.437 10.058 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.470 3.376 10.144 1.00 0.00 H new ATOM 0 HG CYS A 18 -9.560 5.986 9.510 1.00 0.00 H new ATOM 322 N GLN A 19 -12.687 2.673 12.502 1.00 0.00 N ATOM 323 CA GLN A 19 -13.626 1.617 12.863 1.00 0.00 C ATOM 324 C GLN A 19 -14.343 1.074 11.631 1.00 0.00 C ATOM 325 O GLN A 19 -14.721 -0.096 11.587 1.00 0.00 O ATOM 326 CB GLN A 19 -14.648 2.139 13.872 1.00 0.00 C ATOM 327 CG GLN A 19 -15.458 1.041 14.542 1.00 0.00 C ATOM 328 CD GLN A 19 -15.085 0.847 16.000 1.00 0.00 C ATOM 329 OE1 GLN A 19 -15.797 1.295 16.900 1.00 0.00 O ATOM 330 NE2 GLN A 19 -13.963 0.178 16.240 1.00 0.00 N ATOM 0 H GLN A 19 -13.121 3.577 12.315 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.059 0.804 13.316 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.128 2.714 14.638 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.329 2.824 13.366 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.519 1.282 14.471 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.308 0.105 14.005 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.404 -0.175 15.464 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.660 0.018 17.201 1.00 0.00 H new ATOM 339 N THR A 20 -14.529 1.930 10.631 1.00 0.00 N ATOM 340 CA THR A 20 -15.205 1.532 9.402 1.00 0.00 C ATOM 341 C THR A 20 -14.352 1.850 8.177 1.00 0.00 C ATOM 342 O THR A 20 -13.619 2.838 8.156 1.00 0.00 O ATOM 343 CB THR A 20 -16.562 2.230 9.291 1.00 0.00 C ATOM 344 OG1 THR A 20 -17.330 1.670 8.240 1.00 0.00 O ATOM 345 CG2 THR A 20 -16.455 3.719 9.035 1.00 0.00 C ATOM 0 H THR A 20 -14.221 2.902 10.648 1.00 0.00 H new ATOM 0 HA THR A 20 -15.361 0.454 9.439 1.00 0.00 H new ATOM 0 HB THR A 20 -17.041 2.078 10.258 1.00 0.00 H new ATOM 0 HG1 THR A 20 -18.194 2.128 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 -17.454 4.149 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.911 4.191 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.922 3.890 8.099 1.00 0.00 H new ATOM 353 N ILE A 21 -14.461 1.008 7.155 1.00 0.00 N ATOM 354 CA ILE A 21 -13.709 1.198 5.922 1.00 0.00 C ATOM 355 C ILE A 21 -14.297 2.334 5.088 1.00 0.00 C ATOM 356 O ILE A 21 -13.574 3.041 4.386 1.00 0.00 O ATOM 357 CB ILE A 21 -13.690 -0.095 5.080 1.00 0.00 C ATOM 358 CG1 ILE A 21 -13.021 -1.226 5.863 1.00 0.00 C ATOM 359 CG2 ILE A 21 -12.975 0.136 3.757 1.00 0.00 C ATOM 360 CD1 ILE A 21 -11.597 -0.920 6.270 1.00 0.00 C ATOM 0 H ILE A 21 -15.065 0.186 7.157 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.688 1.456 6.204 1.00 0.00 H new ATOM 0 HB ILE A 21 -14.719 -0.383 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.609 -1.435 6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.030 -2.132 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.973 -0.788 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -13.491 0.914 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.948 0.447 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.186 -1.766 6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.995 -0.740 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.582 -0.033 6.903 1.00 0.00 H new ATOM 372 N ASP A 22 -15.614 2.495 5.164 1.00 0.00 N ATOM 373 CA ASP A 22 -16.308 3.538 4.411 1.00 0.00 C ATOM 374 C ASP A 22 -15.704 4.913 4.680 1.00 0.00 C ATOM 375 O ASP A 22 -15.375 5.648 3.748 1.00 0.00 O ATOM 376 CB ASP A 22 -17.795 3.544 4.767 1.00 0.00 C ATOM 377 CG ASP A 22 -18.536 2.359 4.178 1.00 0.00 C ATOM 378 OD1 ASP A 22 -18.273 1.219 4.617 1.00 0.00 O ATOM 379 OD2 ASP A 22 -19.377 2.571 3.281 1.00 0.00 O ATOM 0 H ASP A 22 -16.225 1.916 5.740 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.191 3.318 3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -17.906 3.536 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.248 4.468 4.407 1.00 0.00 H new ATOM 384 N THR A 23 -15.557 5.259 5.956 1.00 0.00 N ATOM 385 CA THR A 23 -14.989 6.545 6.332 1.00 0.00 C ATOM 386 C THR A 23 -13.556 6.660 5.818 1.00 0.00 C ATOM 387 O THR A 23 -13.149 7.704 5.310 1.00 0.00 O ATOM 388 CB THR A 23 -15.044 6.719 7.858 1.00 0.00 C ATOM 389 OG1 THR A 23 -16.183 7.473 8.231 1.00 0.00 O ATOM 390 CG2 THR A 23 -13.832 7.407 8.447 1.00 0.00 C ATOM 0 H THR A 23 -15.823 4.667 6.743 1.00 0.00 H new ATOM 0 HA THR A 23 -15.576 7.342 5.876 1.00 0.00 H new ATOM 0 HB THR A 23 -15.082 5.704 8.253 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.204 7.573 9.206 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.950 7.490 9.527 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.938 6.824 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.733 8.403 8.015 1.00 0.00 H new ATOM 398 N LEU A 24 -12.801 5.572 5.944 1.00 0.00 N ATOM 399 CA LEU A 24 -11.420 5.546 5.482 1.00 0.00 C ATOM 400 C LEU A 24 -11.353 5.828 3.987 1.00 0.00 C ATOM 401 O LEU A 24 -10.436 6.491 3.507 1.00 0.00 O ATOM 402 CB LEU A 24 -10.780 4.192 5.786 1.00 0.00 C ATOM 403 CG LEU A 24 -9.611 4.243 6.768 1.00 0.00 C ATOM 404 CD1 LEU A 24 -8.991 2.864 6.934 1.00 0.00 C ATOM 405 CD2 LEU A 24 -8.566 5.252 6.307 1.00 0.00 C ATOM 0 H LEU A 24 -13.123 4.699 6.362 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.868 6.323 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.544 3.526 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.432 3.752 4.851 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.991 4.565 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.160 2.921 7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.741 2.171 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.626 2.510 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.742 5.273 7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.190 4.963 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.018 6.242 6.246 1.00 0.00 H new ATOM 417 N GLU A 25 -12.337 5.317 3.260 1.00 0.00 N ATOM 418 CA GLU A 25 -12.401 5.502 1.813 1.00 0.00 C ATOM 419 C GLU A 25 -12.472 6.982 1.436 1.00 0.00 C ATOM 420 O GLU A 25 -11.952 7.390 0.394 1.00 0.00 O ATOM 421 CB GLU A 25 -13.610 4.761 1.242 1.00 0.00 C ATOM 422 CG GLU A 25 -13.378 4.203 -0.153 1.00 0.00 C ATOM 423 CD GLU A 25 -13.040 2.725 -0.141 1.00 0.00 C ATOM 424 OE1 GLU A 25 -11.871 2.386 0.143 1.00 0.00 O ATOM 425 OE2 GLU A 25 -13.942 1.907 -0.415 1.00 0.00 O ATOM 0 H GLU A 25 -13.105 4.769 3.648 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.486 5.091 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -13.874 3.943 1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.463 5.440 1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.271 4.363 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.567 4.753 -0.630 1.00 0.00 H new ATOM 432 N ARG A 26 -13.105 7.786 2.288 1.00 0.00 N ATOM 433 CA ARG A 26 -13.226 9.215 2.033 1.00 0.00 C ATOM 434 C ARG A 26 -11.926 9.919 2.383 1.00 0.00 C ATOM 435 O ARG A 26 -11.626 10.996 1.870 1.00 0.00 O ATOM 436 CB ARG A 26 -14.379 9.806 2.846 1.00 0.00 C ATOM 437 CG ARG A 26 -14.693 11.252 2.495 1.00 0.00 C ATOM 438 CD ARG A 26 -15.633 11.881 3.512 1.00 0.00 C ATOM 439 NE ARG A 26 -15.219 13.234 3.875 1.00 0.00 N ATOM 440 CZ ARG A 26 -16.022 14.124 4.455 1.00 0.00 C ATOM 441 NH1 ARG A 26 -17.279 13.808 4.738 1.00 0.00 N ATOM 442 NH2 ARG A 26 -15.567 15.333 4.752 1.00 0.00 N ATOM 0 H ARG A 26 -13.539 7.472 3.156 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.435 9.363 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.272 9.201 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.135 9.743 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.767 11.826 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -15.145 11.297 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.643 11.908 3.104 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.667 11.260 4.407 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.259 13.513 3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -17.635 12.879 4.511 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.890 14.494 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.602 15.582 4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.182 16.015 5.196 1.00 0.00 H new ATOM 456 N VAL A 27 -11.151 9.285 3.252 1.00 0.00 N ATOM 457 CA VAL A 27 -9.871 9.830 3.668 1.00 0.00 C ATOM 458 C VAL A 27 -8.755 9.278 2.795 1.00 0.00 C ATOM 459 O VAL A 27 -7.708 9.900 2.654 1.00 0.00 O ATOM 460 CB VAL A 27 -9.558 9.558 5.158 1.00 0.00 C ATOM 461 CG1 VAL A 27 -9.433 10.866 5.910 1.00 0.00 C ATOM 462 CG2 VAL A 27 -10.625 8.700 5.798 1.00 0.00 C ATOM 0 H VAL A 27 -11.389 8.391 3.682 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.936 10.911 3.546 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.613 9.018 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.213 10.663 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.627 11.459 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.369 11.419 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.374 8.528 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.587 9.208 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.684 7.744 5.277 1.00 0.00 H new ATOM 472 N ILE A 28 -8.993 8.122 2.181 1.00 0.00 N ATOM 473 CA ILE A 28 -8.002 7.534 1.295 1.00 0.00 C ATOM 474 C ILE A 28 -7.789 8.462 0.109 1.00 0.00 C ATOM 475 O ILE A 28 -6.659 8.785 -0.252 1.00 0.00 O ATOM 476 CB ILE A 28 -8.429 6.139 0.775 1.00 0.00 C ATOM 477 CG1 ILE A 28 -8.620 5.139 1.927 1.00 0.00 C ATOM 478 CG2 ILE A 28 -7.405 5.605 -0.217 1.00 0.00 C ATOM 479 CD1 ILE A 28 -7.866 5.489 3.194 1.00 0.00 C ATOM 0 H ILE A 28 -9.853 7.582 2.281 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.082 7.406 1.865 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.388 6.256 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.683 5.070 2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.302 4.152 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.720 4.624 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.326 6.289 -1.062 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.435 5.519 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.058 4.731 3.953 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.797 5.528 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.199 6.460 3.559 1.00 0.00 H new ATOM 491 N GLU A 29 -8.896 8.899 -0.483 1.00 0.00 N ATOM 492 CA GLU A 29 -8.851 9.804 -1.622 1.00 0.00 C ATOM 493 C GLU A 29 -8.503 11.225 -1.180 1.00 0.00 C ATOM 494 O GLU A 29 -7.850 11.971 -1.911 1.00 0.00 O ATOM 495 CB GLU A 29 -10.195 9.801 -2.354 1.00 0.00 C ATOM 496 CG GLU A 29 -10.258 8.806 -3.502 1.00 0.00 C ATOM 497 CD GLU A 29 -11.671 8.589 -4.008 1.00 0.00 C ATOM 498 OE1 GLU A 29 -12.180 9.462 -4.740 1.00 0.00 O ATOM 499 OE2 GLU A 29 -12.267 7.544 -3.672 1.00 0.00 O ATOM 0 H GLU A 29 -9.838 8.639 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.072 9.454 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.987 9.572 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.392 10.801 -2.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.633 9.162 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.843 7.853 -3.175 1.00 0.00 H new ATOM 506 N LYS A 30 -8.951 11.601 0.016 1.00 0.00 N ATOM 507 CA LYS A 30 -8.687 12.937 0.541 1.00 0.00 C ATOM 508 C LYS A 30 -7.252 13.064 1.046 1.00 0.00 C ATOM 509 O LYS A 30 -6.557 14.031 0.736 1.00 0.00 O ATOM 510 CB LYS A 30 -9.665 13.265 1.671 1.00 0.00 C ATOM 511 CG LYS A 30 -10.967 13.881 1.190 1.00 0.00 C ATOM 512 CD LYS A 30 -11.566 14.808 2.236 1.00 0.00 C ATOM 513 CE LYS A 30 -12.643 15.699 1.641 1.00 0.00 C ATOM 514 NZ LYS A 30 -12.075 16.943 1.054 1.00 0.00 N ATOM 0 H LYS A 30 -9.496 11.002 0.636 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.825 13.647 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.887 12.352 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.184 13.951 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.789 14.437 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.679 13.090 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.989 14.217 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.779 15.426 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.184 15.149 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.366 15.960 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.843 17.523 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.580 17.481 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.404 16.696 0.299 1.00 0.00 H new ATOM 528 N ASN A 31 -6.819 12.086 1.835 1.00 0.00 N ATOM 529 CA ASN A 31 -5.472 12.092 2.395 1.00 0.00 C ATOM 530 C ASN A 31 -4.421 11.839 1.315 1.00 0.00 C ATOM 531 O ASN A 31 -3.325 12.397 1.366 1.00 0.00 O ATOM 532 CB ASN A 31 -5.355 11.049 3.516 1.00 0.00 C ATOM 533 CG ASN A 31 -3.934 10.895 4.025 1.00 0.00 C ATOM 534 OD1 ASN A 31 -3.134 10.153 3.455 1.00 0.00 O ATOM 535 ND2 ASN A 31 -3.613 11.598 5.106 1.00 0.00 N ATOM 0 H ASN A 31 -7.382 11.278 2.101 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.286 13.081 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.004 11.336 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.712 10.086 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.672 11.535 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.307 12.201 5.547 1.00 0.00 H new ATOM 542 N LYS A 32 -4.758 11.006 0.335 1.00 0.00 N ATOM 543 CA LYS A 32 -3.828 10.702 -0.750 1.00 0.00 C ATOM 544 C LYS A 32 -3.563 11.949 -1.588 1.00 0.00 C ATOM 545 O LYS A 32 -2.447 12.171 -2.055 1.00 0.00 O ATOM 546 CB LYS A 32 -4.374 9.576 -1.636 1.00 0.00 C ATOM 547 CG LYS A 32 -5.583 9.976 -2.463 1.00 0.00 C ATOM 548 CD LYS A 32 -5.172 10.591 -3.792 1.00 0.00 C ATOM 549 CE LYS A 32 -6.060 10.109 -4.928 1.00 0.00 C ATOM 550 NZ LYS A 32 -5.404 9.040 -5.730 1.00 0.00 N ATOM 0 H LYS A 32 -5.659 10.533 0.269 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.889 10.368 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.583 9.238 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.642 8.728 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.207 9.101 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.188 10.689 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.225 11.678 -3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.134 10.336 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.999 9.733 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.308 10.949 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.042 8.739 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.521 9.406 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.190 8.228 -5.117 1.00 0.00 H new ATOM 564 N TYR A 33 -4.598 12.762 -1.768 1.00 0.00 N ATOM 565 CA TYR A 33 -4.479 13.991 -2.543 1.00 0.00 C ATOM 566 C TYR A 33 -4.137 15.181 -1.646 1.00 0.00 C ATOM 567 O TYR A 33 -3.978 16.303 -2.125 1.00 0.00 O ATOM 568 CB TYR A 33 -5.778 14.266 -3.302 1.00 0.00 C ATOM 569 CG TYR A 33 -5.563 14.733 -4.724 1.00 0.00 C ATOM 570 CD1 TYR A 33 -5.121 13.855 -5.705 1.00 0.00 C ATOM 571 CD2 TYR A 33 -5.801 16.054 -5.085 1.00 0.00 C ATOM 572 CE1 TYR A 33 -4.922 14.278 -7.005 1.00 0.00 C ATOM 573 CE2 TYR A 33 -5.606 16.485 -6.383 1.00 0.00 C ATOM 574 CZ TYR A 33 -5.166 15.593 -7.339 1.00 0.00 C ATOM 575 OH TYR A 33 -4.970 16.019 -8.633 1.00 0.00 O ATOM 0 H TYR A 33 -5.529 12.592 -1.388 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.667 13.859 -3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.381 13.358 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.350 15.021 -2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.930 12.824 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.144 16.755 -4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.577 13.582 -7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.797 17.514 -6.648 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.189 16.972 -8.700 1.00 0.00 H new ATOM 585 N GLU A 34 -4.027 14.932 -0.341 1.00 0.00 N ATOM 586 CA GLU A 34 -3.707 15.987 0.613 1.00 0.00 C ATOM 587 C GLU A 34 -2.199 16.171 0.741 1.00 0.00 C ATOM 588 O GLU A 34 -1.649 17.185 0.309 1.00 0.00 O ATOM 589 CB GLU A 34 -4.311 15.665 1.981 1.00 0.00 C ATOM 590 CG GLU A 34 -4.048 16.735 3.028 1.00 0.00 C ATOM 591 CD GLU A 34 -4.731 16.438 4.349 1.00 0.00 C ATOM 592 OE1 GLU A 34 -5.965 16.610 4.431 1.00 0.00 O ATOM 593 OE2 GLU A 34 -4.032 16.032 5.302 1.00 0.00 O ATOM 0 H GLU A 34 -4.155 14.010 0.076 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.136 16.918 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.387 15.532 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.907 14.716 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.974 16.823 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.394 17.698 2.653 1.00 0.00 H new ATOM 600 N LEU A 35 -1.533 15.189 1.343 1.00 0.00 N ATOM 601 CA LEU A 35 -0.088 15.253 1.531 1.00 0.00 C ATOM 602 C LEU A 35 0.646 15.340 0.200 1.00 0.00 C ATOM 603 O LEU A 35 0.077 15.741 -0.815 1.00 0.00 O ATOM 604 CB LEU A 35 0.421 14.044 2.334 1.00 0.00 C ATOM 605 CG LEU A 35 0.516 12.690 1.596 1.00 0.00 C ATOM 606 CD1 LEU A 35 0.054 11.567 2.505 1.00 0.00 C ATOM 607 CD2 LEU A 35 -0.295 12.659 0.311 1.00 0.00 C ATOM 0 H LEU A 35 -1.970 14.342 1.708 1.00 0.00 H new ATOM 0 HA LEU A 35 0.121 16.161 2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.411 14.288 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.233 13.913 3.196 1.00 0.00 H new ATOM 0 HG LEU A 35 1.564 12.555 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.125 10.617 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.685 11.535 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.981 11.741 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.189 11.683 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.345 12.840 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.067 13.432 -0.367 1.00 0.00 H new ATOM 619 N SER A 36 1.913 14.950 0.220 1.00 0.00 N ATOM 620 CA SER A 36 2.741 14.964 -0.975 1.00 0.00 C ATOM 621 C SER A 36 3.216 13.556 -1.302 1.00 0.00 C ATOM 622 O SER A 36 2.875 12.600 -0.606 1.00 0.00 O ATOM 623 CB SER A 36 3.942 15.891 -0.779 1.00 0.00 C ATOM 624 OG SER A 36 3.556 17.252 -0.865 1.00 0.00 O ATOM 0 H SER A 36 2.391 14.618 1.058 1.00 0.00 H new ATOM 0 HA SER A 36 2.144 15.336 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.398 15.700 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.698 15.676 -1.534 1.00 0.00 H new ATOM 0 HG SER A 36 4.341 17.824 -0.735 1.00 0.00 H new ATOM 630 N ASP A 37 4.013 13.434 -2.352 1.00 0.00 N ATOM 631 CA ASP A 37 4.543 12.139 -2.751 1.00 0.00 C ATOM 632 C ASP A 37 5.393 11.541 -1.633 1.00 0.00 C ATOM 633 O ASP A 37 5.557 10.324 -1.549 1.00 0.00 O ATOM 634 CB ASP A 37 5.376 12.275 -4.027 1.00 0.00 C ATOM 635 CG ASP A 37 6.549 13.218 -3.853 1.00 0.00 C ATOM 636 OD1 ASP A 37 7.632 12.750 -3.443 1.00 0.00 O ATOM 637 OD2 ASP A 37 6.386 14.426 -4.127 1.00 0.00 O ATOM 0 H ASP A 37 4.306 14.213 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 37 3.704 11.471 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.744 11.293 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.740 12.635 -4.836 1.00 0.00 H new ATOM 642 N ASN A 38 5.942 12.408 -0.781 1.00 0.00 N ATOM 643 CA ASN A 38 6.785 11.965 0.324 1.00 0.00 C ATOM 644 C ASN A 38 5.966 11.320 1.438 1.00 0.00 C ATOM 645 O ASN A 38 6.308 10.240 1.918 1.00 0.00 O ATOM 646 CB ASN A 38 7.585 13.143 0.881 1.00 0.00 C ATOM 647 CG ASN A 38 9.027 12.777 1.174 1.00 0.00 C ATOM 648 OD1 ASN A 38 9.944 13.548 0.897 1.00 0.00 O ATOM 649 ND2 ASN A 38 9.233 11.592 1.738 1.00 0.00 N ATOM 0 H ASN A 38 5.817 13.419 -0.837 1.00 0.00 H new ATOM 0 HA ASN A 38 7.469 11.211 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.560 13.966 0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.111 13.500 1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.182 11.290 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.442 10.984 1.951 1.00 0.00 H new ATOM 656 N GLU A 39 4.881 11.974 1.844 1.00 0.00 N ATOM 657 CA GLU A 39 4.030 11.441 2.891 1.00 0.00 C ATOM 658 C GLU A 39 3.122 10.357 2.325 1.00 0.00 C ATOM 659 O GLU A 39 2.775 9.396 3.011 1.00 0.00 O ATOM 660 CB GLU A 39 3.211 12.576 3.509 1.00 0.00 C ATOM 661 CG GLU A 39 2.138 12.121 4.485 1.00 0.00 C ATOM 662 CD GLU A 39 2.549 12.305 5.932 1.00 0.00 C ATOM 663 OE1 GLU A 39 3.534 11.664 6.355 1.00 0.00 O ATOM 664 OE2 GLU A 39 1.886 13.090 6.642 1.00 0.00 O ATOM 0 H GLU A 39 4.576 12.869 1.463 1.00 0.00 H new ATOM 0 HA GLU A 39 4.646 10.992 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.888 13.256 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.738 13.144 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.221 12.680 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.912 11.070 4.306 1.00 0.00 H new ATOM 671 N LEU A 40 2.738 10.526 1.063 1.00 0.00 N ATOM 672 CA LEU A 40 1.868 9.572 0.389 1.00 0.00 C ATOM 673 C LEU A 40 2.499 8.191 0.350 1.00 0.00 C ATOM 674 O LEU A 40 1.805 7.180 0.458 1.00 0.00 O ATOM 675 CB LEU A 40 1.560 10.049 -1.026 1.00 0.00 C ATOM 676 CG LEU A 40 0.629 9.141 -1.831 1.00 0.00 C ATOM 677 CD1 LEU A 40 -0.387 9.972 -2.598 1.00 0.00 C ATOM 678 CD2 LEU A 40 1.430 8.263 -2.781 1.00 0.00 C ATOM 0 H LEU A 40 3.018 11.319 0.486 1.00 0.00 H new ATOM 0 HA LEU A 40 0.937 9.505 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.113 11.041 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.499 10.153 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 40 0.092 8.493 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.042 9.312 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.981 10.558 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.133 10.643 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.751 7.624 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.993 8.892 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.120 7.643 -2.209 1.00 0.00 H new ATOM 690 N ALA A 41 3.821 8.144 0.216 1.00 0.00 N ATOM 691 CA ALA A 41 4.525 6.871 0.190 1.00 0.00 C ATOM 692 C ALA A 41 4.187 6.088 1.448 1.00 0.00 C ATOM 693 O ALA A 41 4.053 4.864 1.425 1.00 0.00 O ATOM 694 CB ALA A 41 6.027 7.089 0.078 1.00 0.00 C ATOM 0 H ALA A 41 4.419 8.965 0.125 1.00 0.00 H new ATOM 0 HA ALA A 41 4.207 6.302 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.534 6.124 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.248 7.632 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.376 7.667 0.934 1.00 0.00 H new ATOM 700 N VAL A 42 4.024 6.821 2.544 1.00 0.00 N ATOM 701 CA VAL A 42 3.667 6.228 3.820 1.00 0.00 C ATOM 702 C VAL A 42 2.184 5.873 3.844 1.00 0.00 C ATOM 703 O VAL A 42 1.776 4.920 4.508 1.00 0.00 O ATOM 704 CB VAL A 42 3.980 7.180 4.990 1.00 0.00 C ATOM 705 CG1 VAL A 42 3.754 6.483 6.323 1.00 0.00 C ATOM 706 CG2 VAL A 42 5.406 7.699 4.888 1.00 0.00 C ATOM 0 H VAL A 42 4.135 7.835 2.570 1.00 0.00 H new ATOM 0 HA VAL A 42 4.263 5.323 3.938 1.00 0.00 H new ATOM 0 HB VAL A 42 3.302 8.031 4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.980 7.172 7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.714 6.165 6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.405 5.612 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.610 8.370 5.723 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.102 6.860 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.530 8.239 3.950 1.00 0.00 H new ATOM 716 N PHE A 43 1.377 6.647 3.113 1.00 0.00 N ATOM 717 CA PHE A 43 -0.060 6.406 3.057 1.00 0.00 C ATOM 718 C PHE A 43 -0.379 5.209 2.167 1.00 0.00 C ATOM 719 O PHE A 43 -1.147 4.326 2.550 1.00 0.00 O ATOM 720 CB PHE A 43 -0.787 7.648 2.540 1.00 0.00 C ATOM 721 CG PHE A 43 -2.263 7.638 2.820 1.00 0.00 C ATOM 722 CD1 PHE A 43 -2.735 7.463 4.111 1.00 0.00 C ATOM 723 CD2 PHE A 43 -3.177 7.804 1.792 1.00 0.00 C ATOM 724 CE1 PHE A 43 -4.093 7.453 4.371 1.00 0.00 C ATOM 725 CE2 PHE A 43 -4.535 7.795 2.046 1.00 0.00 C ATOM 726 CZ PHE A 43 -4.993 7.619 3.337 1.00 0.00 C ATOM 0 H PHE A 43 1.696 7.440 2.556 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.404 6.185 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.345 8.534 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.630 7.730 1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.035 7.333 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.824 7.942 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.449 7.316 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.237 7.925 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.054 7.611 3.538 1.00 0.00 H new ATOM 736 N TYR A 44 0.213 5.187 0.978 1.00 0.00 N ATOM 737 CA TYR A 44 -0.009 4.101 0.031 1.00 0.00 C ATOM 738 C TYR A 44 0.422 2.762 0.623 1.00 0.00 C ATOM 739 O TYR A 44 -0.310 1.775 0.549 1.00 0.00 O ATOM 740 CB TYR A 44 0.752 4.365 -1.269 1.00 0.00 C ATOM 741 CG TYR A 44 0.052 3.833 -2.500 1.00 0.00 C ATOM 742 CD1 TYR A 44 0.280 2.538 -2.946 1.00 0.00 C ATOM 743 CD2 TYR A 44 -0.835 4.627 -3.215 1.00 0.00 C ATOM 744 CE1 TYR A 44 -0.357 2.048 -4.070 1.00 0.00 C ATOM 745 CE2 TYR A 44 -1.476 4.145 -4.340 1.00 0.00 C ATOM 746 CZ TYR A 44 -1.235 2.855 -4.763 1.00 0.00 C ATOM 747 OH TYR A 44 -1.871 2.370 -5.882 1.00 0.00 O ATOM 0 H TYR A 44 0.851 5.910 0.647 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.077 4.055 -0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.900 5.439 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.741 3.912 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.967 1.903 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.027 5.638 -2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.168 1.038 -4.404 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.162 4.776 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.456 3.064 -6.252 1.00 0.00 H new ATOM 757 N SER A 45 1.616 2.736 1.207 1.00 0.00 N ATOM 758 CA SER A 45 2.146 1.517 1.809 1.00 0.00 C ATOM 759 C SER A 45 1.217 0.998 2.903 1.00 0.00 C ATOM 760 O SER A 45 0.907 -0.192 2.955 1.00 0.00 O ATOM 761 CB SER A 45 3.537 1.774 2.388 1.00 0.00 C ATOM 762 OG SER A 45 4.536 1.646 1.391 1.00 0.00 O ATOM 0 H SER A 45 2.234 3.544 1.276 1.00 0.00 H new ATOM 0 HA SER A 45 2.217 0.759 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.576 2.774 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.734 1.070 3.197 1.00 0.00 H new ATOM 0 HG SER A 45 5.416 1.817 1.786 1.00 0.00 H new ATOM 768 N ALA A 46 0.775 1.899 3.774 1.00 0.00 N ATOM 769 CA ALA A 46 -0.117 1.533 4.867 1.00 0.00 C ATOM 770 C ALA A 46 -1.515 1.208 4.352 1.00 0.00 C ATOM 771 O ALA A 46 -2.231 0.399 4.942 1.00 0.00 O ATOM 772 CB ALA A 46 -0.179 2.655 5.893 1.00 0.00 C ATOM 0 H ALA A 46 1.020 2.889 3.744 1.00 0.00 H new ATOM 0 HA ALA A 46 0.282 0.638 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.849 2.369 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.818 2.838 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.551 3.562 5.418 1.00 0.00 H new ATOM 778 N ALA A 47 -1.899 1.845 3.251 1.00 0.00 N ATOM 779 CA ALA A 47 -3.211 1.623 2.659 1.00 0.00 C ATOM 780 C ALA A 47 -3.247 0.322 1.863 1.00 0.00 C ATOM 781 O ALA A 47 -4.233 -0.412 1.903 1.00 0.00 O ATOM 782 CB ALA A 47 -3.592 2.798 1.769 1.00 0.00 C ATOM 0 H ALA A 47 -1.319 2.519 2.751 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.936 1.540 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.575 2.620 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.619 3.711 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.855 2.905 0.973 1.00 0.00 H new ATOM 788 N ASP A 48 -2.165 0.045 1.141 1.00 0.00 N ATOM 789 CA ASP A 48 -2.074 -1.167 0.335 1.00 0.00 C ATOM 790 C ASP A 48 -2.312 -2.412 1.186 1.00 0.00 C ATOM 791 O ASP A 48 -3.130 -3.265 0.839 1.00 0.00 O ATOM 792 CB ASP A 48 -0.704 -1.250 -0.343 1.00 0.00 C ATOM 793 CG ASP A 48 -0.810 -1.368 -1.850 1.00 0.00 C ATOM 794 OD1 ASP A 48 -1.036 -0.333 -2.512 1.00 0.00 O ATOM 795 OD2 ASP A 48 -0.667 -2.495 -2.370 1.00 0.00 O ATOM 0 H ASP A 48 -1.340 0.643 1.098 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.850 -1.123 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.123 -0.363 -0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.160 -2.109 0.048 1.00 0.00 H new ATOM 800 N HIS A 49 -1.597 -2.509 2.302 1.00 0.00 N ATOM 801 CA HIS A 49 -1.734 -3.647 3.200 1.00 0.00 C ATOM 802 C HIS A 49 -3.155 -3.739 3.744 1.00 0.00 C ATOM 803 O HIS A 49 -3.761 -4.810 3.745 1.00 0.00 O ATOM 804 CB HIS A 49 -0.738 -3.529 4.354 1.00 0.00 C ATOM 805 CG HIS A 49 0.655 -3.942 3.990 1.00 0.00 C ATOM 806 ND1 HIS A 49 0.934 -4.894 3.031 1.00 0.00 N ATOM 807 CD2 HIS A 49 1.854 -3.527 4.463 1.00 0.00 C ATOM 808 CE1 HIS A 49 2.243 -5.045 2.931 1.00 0.00 C ATOM 809 NE2 HIS A 49 2.823 -4.227 3.789 1.00 0.00 N ATOM 0 H HIS A 49 -0.917 -1.812 2.605 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.522 -4.556 2.637 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.722 -2.497 4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.084 -4.143 5.186 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.017 -2.783 5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.752 -5.723 2.261 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.829 -4.131 3.929 1.00 0.00 H new ATOM 818 N ARG A 50 -3.683 -2.609 4.204 1.00 0.00 N ATOM 819 CA ARG A 50 -5.035 -2.564 4.748 1.00 0.00 C ATOM 820 C ARG A 50 -6.054 -2.974 3.691 1.00 0.00 C ATOM 821 O ARG A 50 -7.019 -3.679 3.983 1.00 0.00 O ATOM 822 CB ARG A 50 -5.353 -1.160 5.268 1.00 0.00 C ATOM 823 CG ARG A 50 -4.753 -0.867 6.633 1.00 0.00 C ATOM 824 CD ARG A 50 -5.177 -1.903 7.662 1.00 0.00 C ATOM 825 NE ARG A 50 -4.188 -2.968 7.806 1.00 0.00 N ATOM 826 CZ ARG A 50 -3.068 -2.849 8.516 1.00 0.00 C ATOM 827 NH1 ARG A 50 -2.790 -1.715 9.146 1.00 0.00 N ATOM 828 NH2 ARG A 50 -2.223 -3.868 8.596 1.00 0.00 N ATOM 0 H ARG A 50 -3.195 -1.713 4.211 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.093 -3.269 5.577 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.984 -0.425 4.553 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.435 -1.038 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.666 -0.851 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.064 0.124 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.328 -1.416 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.134 -2.334 7.369 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.366 -3.855 7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.436 -0.928 9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.930 -1.630 9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.431 -4.742 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.365 -3.777 9.140 1.00 0.00 H new ATOM 842 N LEU A 51 -5.832 -2.527 2.460 1.00 0.00 N ATOM 843 CA LEU A 51 -6.729 -2.854 1.357 1.00 0.00 C ATOM 844 C LEU A 51 -6.541 -4.303 0.917 1.00 0.00 C ATOM 845 O LEU A 51 -7.479 -4.947 0.448 1.00 0.00 O ATOM 846 CB LEU A 51 -6.490 -1.907 0.177 1.00 0.00 C ATOM 847 CG LEU A 51 -7.742 -1.196 -0.344 1.00 0.00 C ATOM 848 CD1 LEU A 51 -7.733 0.269 0.062 1.00 0.00 C ATOM 849 CD2 LEU A 51 -7.844 -1.331 -1.856 1.00 0.00 C ATOM 0 H LEU A 51 -5.040 -1.938 2.201 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.755 -2.731 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.761 -1.154 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.045 -2.474 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.616 -1.670 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.631 0.757 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.710 0.345 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.851 0.756 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.740 -0.819 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.965 -0.885 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.900 -2.386 -2.124 1.00 0.00 H new ATOM 861 N ALA A 52 -5.318 -4.807 1.065 1.00 0.00 N ATOM 862 CA ALA A 52 -5.004 -6.178 0.678 1.00 0.00 C ATOM 863 C ALA A 52 -5.742 -7.185 1.554 1.00 0.00 C ATOM 864 O ALA A 52 -6.405 -8.092 1.050 1.00 0.00 O ATOM 865 CB ALA A 52 -3.501 -6.411 0.750 1.00 0.00 C ATOM 0 H ALA A 52 -4.530 -4.286 1.450 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.338 -6.325 -0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.278 -7.437 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.993 -5.723 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.155 -6.239 1.769 1.00 0.00 H new ATOM 871 N GLU A 53 -5.629 -7.019 2.869 1.00 0.00 N ATOM 872 CA GLU A 53 -6.293 -7.916 3.810 1.00 0.00 C ATOM 873 C GLU A 53 -7.806 -7.851 3.636 1.00 0.00 C ATOM 874 O GLU A 53 -8.504 -8.849 3.799 1.00 0.00 O ATOM 875 CB GLU A 53 -5.911 -7.571 5.253 1.00 0.00 C ATOM 876 CG GLU A 53 -5.817 -6.079 5.527 1.00 0.00 C ATOM 877 CD GLU A 53 -6.598 -5.660 6.757 1.00 0.00 C ATOM 878 OE1 GLU A 53 -7.824 -5.895 6.790 1.00 0.00 O ATOM 879 OE2 GLU A 53 -5.983 -5.098 7.688 1.00 0.00 O ATOM 0 H GLU A 53 -5.086 -6.274 3.306 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.961 -8.932 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.647 -8.008 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.952 -8.034 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.770 -5.802 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.189 -5.531 4.661 1.00 0.00 H new ATOM 886 N LEU A 54 -8.306 -6.668 3.295 1.00 0.00 N ATOM 887 CA LEU A 54 -9.737 -6.475 3.093 1.00 0.00 C ATOM 888 C LEU A 54 -10.251 -7.362 1.963 1.00 0.00 C ATOM 889 O LEU A 54 -11.323 -7.957 2.063 1.00 0.00 O ATOM 890 CB LEU A 54 -10.032 -5.005 2.780 1.00 0.00 C ATOM 891 CG LEU A 54 -11.083 -4.350 3.677 1.00 0.00 C ATOM 892 CD1 LEU A 54 -10.596 -4.295 5.116 1.00 0.00 C ATOM 893 CD2 LEU A 54 -11.420 -2.954 3.169 1.00 0.00 C ATOM 0 H LEU A 54 -7.742 -5.830 3.153 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.252 -6.755 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.104 -4.439 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.363 -4.929 1.744 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.990 -4.954 3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.357 -3.826 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.406 -5.307 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.676 -3.713 5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.169 -2.502 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.520 -2.339 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.812 -3.021 2.154 1.00 0.00 H new ATOM 905 N THR A 55 -9.478 -7.438 0.886 1.00 0.00 N ATOM 906 CA THR A 55 -9.850 -8.244 -0.272 1.00 0.00 C ATOM 907 C THR A 55 -9.480 -9.713 -0.076 1.00 0.00 C ATOM 908 O THR A 55 -10.100 -10.600 -0.662 1.00 0.00 O ATOM 909 CB THR A 55 -9.167 -7.704 -1.530 1.00 0.00 C ATOM 910 OG1 THR A 55 -9.424 -6.320 -1.685 1.00 0.00 O ATOM 911 CG2 THR A 55 -9.616 -8.399 -2.798 1.00 0.00 C ATOM 0 H THR A 55 -8.587 -6.950 0.790 1.00 0.00 H new ATOM 0 HA THR A 55 -10.932 -8.179 -0.386 1.00 0.00 H new ATOM 0 HB THR A 55 -8.103 -7.894 -1.387 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.843 -5.810 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.094 -7.969 -3.653 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.387 -9.463 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.690 -8.266 -2.925 1.00 0.00 H new ATOM 919 N MET A 56 -8.459 -9.966 0.739 1.00 0.00 N ATOM 920 CA MET A 56 -8.006 -11.330 0.991 1.00 0.00 C ATOM 921 C MET A 56 -8.555 -11.880 2.305 1.00 0.00 C ATOM 922 O MET A 56 -8.094 -12.912 2.793 1.00 0.00 O ATOM 923 CB MET A 56 -6.482 -11.375 1.016 1.00 0.00 C ATOM 924 CG MET A 56 -5.905 -12.674 0.476 1.00 0.00 C ATOM 925 SD MET A 56 -5.448 -12.559 -1.264 1.00 0.00 S ATOM 926 CE MET A 56 -4.362 -11.136 -1.235 1.00 0.00 C ATOM 0 H MET A 56 -7.932 -9.247 1.234 1.00 0.00 H new ATOM 0 HA MET A 56 -8.384 -11.956 0.182 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.092 -10.542 0.431 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.139 -11.232 2.041 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.027 -12.948 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.636 -13.473 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.730 -11.143 -2.123 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.958 -10.224 -1.221 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.736 -11.174 -0.344 1.00 0.00 H new ATOM 936 N ASN A 57 -9.542 -11.197 2.873 1.00 0.00 N ATOM 937 CA ASN A 57 -10.147 -11.632 4.126 1.00 0.00 C ATOM 938 C ASN A 57 -9.137 -11.602 5.272 1.00 0.00 C ATOM 939 O ASN A 57 -8.641 -12.642 5.706 1.00 0.00 O ATOM 940 CB ASN A 57 -10.728 -13.040 3.976 1.00 0.00 C ATOM 941 CG ASN A 57 -12.208 -13.022 3.648 1.00 0.00 C ATOM 942 OD1 ASN A 57 -13.052 -13.213 4.524 1.00 0.00 O ATOM 943 ND2 ASN A 57 -12.530 -12.794 2.380 1.00 0.00 N ATOM 0 H ASN A 57 -9.940 -10.341 2.486 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.952 -10.937 4.366 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.191 -13.570 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.570 -13.596 4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.510 -12.772 2.099 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.797 -12.641 1.687 1.00 0.00 H new ATOM 950 N LYS A 58 -8.848 -10.401 5.759 1.00 0.00 N ATOM 951 CA LYS A 58 -7.909 -10.212 6.862 1.00 0.00 C ATOM 952 C LYS A 58 -6.582 -10.922 6.615 1.00 0.00 C ATOM 953 O LYS A 58 -5.925 -11.362 7.559 1.00 0.00 O ATOM 954 CB LYS A 58 -8.518 -10.718 8.168 1.00 0.00 C ATOM 955 CG LYS A 58 -9.421 -9.705 8.850 1.00 0.00 C ATOM 956 CD LYS A 58 -8.735 -9.059 10.044 1.00 0.00 C ATOM 957 CE LYS A 58 -7.482 -8.303 9.628 1.00 0.00 C ATOM 958 NZ LYS A 58 -7.713 -6.833 9.569 1.00 0.00 N ATOM 0 H LYS A 58 -9.254 -9.535 5.404 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.711 -9.143 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.090 -11.624 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.715 -10.994 8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.710 -8.935 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.337 -10.196 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.427 -8.375 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.473 -9.826 10.773 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.679 -8.516 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.151 -8.658 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.814 -6.334 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.096 -6.579 8.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.391 -6.558 10.308 1.00 0.00 H new ATOM 972 N LEU A 59 -6.181 -11.030 5.354 1.00 0.00 N ATOM 973 CA LEU A 59 -4.922 -11.687 5.025 1.00 0.00 C ATOM 974 C LEU A 59 -3.975 -10.728 4.310 1.00 0.00 C ATOM 975 O LEU A 59 -4.272 -10.240 3.220 1.00 0.00 O ATOM 976 CB LEU A 59 -5.168 -12.926 4.161 1.00 0.00 C ATOM 977 CG LEU A 59 -3.911 -13.723 3.793 1.00 0.00 C ATOM 978 CD1 LEU A 59 -3.154 -13.042 2.661 1.00 0.00 C ATOM 979 CD2 LEU A 59 -3.013 -13.897 5.010 1.00 0.00 C ATOM 0 H LEU A 59 -6.702 -10.676 4.552 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.455 -11.999 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.857 -13.586 4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.665 -12.616 3.242 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.220 -14.710 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.266 -13.624 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.797 -12.973 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.857 -12.041 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.126 -14.465 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.714 -12.918 5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.556 -14.433 5.789 1.00 0.00 H new ATOM 991 N TYR A 60 -2.829 -10.467 4.931 1.00 0.00 N ATOM 992 CA TYR A 60 -1.832 -9.570 4.355 1.00 0.00 C ATOM 993 C TYR A 60 -0.431 -10.171 4.465 1.00 0.00 C ATOM 994 O TYR A 60 -0.200 -11.080 5.261 1.00 0.00 O ATOM 995 CB TYR A 60 -1.886 -8.199 5.039 1.00 0.00 C ATOM 996 CG TYR A 60 -1.080 -8.110 6.316 1.00 0.00 C ATOM 997 CD1 TYR A 60 0.291 -7.893 6.275 1.00 0.00 C ATOM 998 CD2 TYR A 60 -1.687 -8.245 7.557 1.00 0.00 C ATOM 999 CE1 TYR A 60 1.035 -7.811 7.437 1.00 0.00 C ATOM 1000 CE2 TYR A 60 -0.951 -8.164 8.724 1.00 0.00 C ATOM 1001 CZ TYR A 60 0.410 -7.947 8.658 1.00 0.00 C ATOM 1002 OH TYR A 60 1.147 -7.866 9.818 1.00 0.00 O ATOM 0 H TYR A 60 -2.567 -10.864 5.833 1.00 0.00 H new ATOM 0 HA TYR A 60 -2.062 -9.439 3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.525 -7.443 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.925 -7.957 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.784 -7.787 5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.752 -8.416 7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.100 -7.641 7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.438 -8.270 9.682 1.00 0.00 H new ATOM 0 HH TYR A 60 0.555 -7.982 10.590 1.00 0.00 H new ATOM 1012 N ASP A 61 0.492 -9.655 3.650 1.00 0.00 N ATOM 1013 CA ASP A 61 1.883 -10.124 3.627 1.00 0.00 C ATOM 1014 C ASP A 61 2.071 -11.242 2.605 1.00 0.00 C ATOM 1015 O ASP A 61 3.174 -11.454 2.102 1.00 0.00 O ATOM 1016 CB ASP A 61 2.336 -10.600 5.013 1.00 0.00 C ATOM 1017 CG ASP A 61 3.802 -10.310 5.273 1.00 0.00 C ATOM 1018 OD1 ASP A 61 4.647 -10.769 4.475 1.00 0.00 O ATOM 1019 OD2 ASP A 61 4.103 -9.625 6.272 1.00 0.00 O ATOM 0 H ASP A 61 0.299 -8.903 2.989 1.00 0.00 H new ATOM 0 HA ASP A 61 2.503 -9.276 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.731 -10.113 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.159 -11.672 5.102 1.00 0.00 H new ATOM 1024 N LYS A 62 0.989 -11.951 2.294 1.00 0.00 N ATOM 1025 CA LYS A 62 1.042 -13.040 1.326 1.00 0.00 C ATOM 1026 C LYS A 62 0.129 -12.751 0.138 1.00 0.00 C ATOM 1027 O LYS A 62 -0.336 -13.669 -0.537 1.00 0.00 O ATOM 1028 CB LYS A 62 0.636 -14.359 1.987 1.00 0.00 C ATOM 1029 CG LYS A 62 1.082 -15.589 1.213 1.00 0.00 C ATOM 1030 CD LYS A 62 0.378 -16.843 1.708 1.00 0.00 C ATOM 1031 CE LYS A 62 1.304 -18.047 1.685 1.00 0.00 C ATOM 1032 NZ LYS A 62 1.087 -18.893 0.479 1.00 0.00 N ATOM 0 H LYS A 62 0.066 -11.790 2.698 1.00 0.00 H new ATOM 0 HA LYS A 62 2.067 -13.125 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.059 -14.398 2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.448 -14.382 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.874 -15.448 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.160 -15.712 1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.015 -16.681 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.494 -17.042 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.340 -17.709 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.143 -18.645 2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.738 -19.704 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.106 -19.237 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.265 -18.330 -0.377 1.00 0.00 H new ATOM 1046 N ILE A 63 -0.123 -11.468 -0.112 1.00 0.00 N ATOM 1047 CA ILE A 63 -0.981 -11.055 -1.217 1.00 0.00 C ATOM 1048 C ILE A 63 -0.332 -11.369 -2.565 1.00 0.00 C ATOM 1049 O ILE A 63 0.662 -10.748 -2.940 1.00 0.00 O ATOM 1050 CB ILE A 63 -1.291 -9.545 -1.150 1.00 0.00 C ATOM 1051 CG1 ILE A 63 -1.838 -9.172 0.233 1.00 0.00 C ATOM 1052 CG2 ILE A 63 -2.278 -9.154 -2.244 1.00 0.00 C ATOM 1053 CD1 ILE A 63 -0.938 -8.231 1.006 1.00 0.00 C ATOM 0 H ILE A 63 0.256 -10.697 0.437 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.911 -11.616 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.365 -8.993 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.818 -8.709 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.984 -10.082 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.485 -8.086 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.850 -9.385 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.205 -9.712 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.388 -8.011 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.035 -8.699 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.812 -7.305 0.445 1.00 0.00 H new ATOM 1065 N PRO A 64 -0.888 -12.337 -3.318 1.00 0.00 N ATOM 1066 CA PRO A 64 -0.352 -12.717 -4.630 1.00 0.00 C ATOM 1067 C PRO A 64 -0.348 -11.545 -5.607 1.00 0.00 C ATOM 1068 O PRO A 64 -0.338 -10.384 -5.197 1.00 0.00 O ATOM 1069 CB PRO A 64 -1.308 -13.815 -5.111 1.00 0.00 C ATOM 1070 CG PRO A 64 -1.977 -14.315 -3.877 1.00 0.00 C ATOM 1071 CD PRO A 64 -2.075 -13.131 -2.960 1.00 0.00 C ATOM 0 HA PRO A 64 0.686 -13.044 -4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.035 -13.421 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.767 -14.614 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.964 -14.718 -4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -1.402 -15.119 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -2.997 -12.572 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.060 -13.430 -1.912 1.00 0.00 H new ATOM 1079 N SER A 65 -0.358 -11.853 -6.900 1.00 0.00 N ATOM 1080 CA SER A 65 -0.356 -10.821 -7.929 1.00 0.00 C ATOM 1081 C SER A 65 -1.749 -10.639 -8.524 1.00 0.00 C ATOM 1082 O SER A 65 -2.223 -9.516 -8.688 1.00 0.00 O ATOM 1083 CB SER A 65 0.640 -11.176 -9.035 1.00 0.00 C ATOM 1084 OG SER A 65 1.960 -11.262 -8.525 1.00 0.00 O ATOM 0 H SER A 65 -0.368 -12.808 -7.259 1.00 0.00 H new ATOM 0 HA SER A 65 -0.055 -9.882 -7.464 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.360 -12.126 -9.490 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.599 -10.422 -9.821 1.00 0.00 H new ATOM 0 HG SER A 65 2.577 -11.492 -9.251 1.00 0.00 H new ATOM 1090 N SER A 66 -2.398 -11.753 -8.848 1.00 0.00 N ATOM 1091 CA SER A 66 -3.736 -11.721 -9.428 1.00 0.00 C ATOM 1092 C SER A 66 -4.719 -10.991 -8.517 1.00 0.00 C ATOM 1093 O SER A 66 -5.525 -10.184 -8.979 1.00 0.00 O ATOM 1094 CB SER A 66 -4.231 -13.144 -9.694 1.00 0.00 C ATOM 1095 OG SER A 66 -3.806 -13.605 -10.965 1.00 0.00 O ATOM 0 H SER A 66 -2.018 -12.691 -8.718 1.00 0.00 H new ATOM 0 HA SER A 66 -3.678 -11.177 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.858 -13.813 -8.918 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.319 -13.169 -9.640 1.00 0.00 H new ATOM 0 HG SER A 66 -4.134 -14.517 -11.109 1.00 0.00 H new ATOM 1101 N VAL A 67 -4.651 -11.285 -7.222 1.00 0.00 N ATOM 1102 CA VAL A 67 -5.541 -10.660 -6.248 1.00 0.00 C ATOM 1103 C VAL A 67 -5.447 -9.137 -6.304 1.00 0.00 C ATOM 1104 O VAL A 67 -6.435 -8.457 -6.576 1.00 0.00 O ATOM 1105 CB VAL A 67 -5.227 -11.133 -4.817 1.00 0.00 C ATOM 1106 CG1 VAL A 67 -6.277 -10.623 -3.840 1.00 0.00 C ATOM 1107 CG2 VAL A 67 -5.131 -12.652 -4.769 1.00 0.00 C ATOM 0 H VAL A 67 -3.990 -11.951 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.555 -10.964 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.263 -10.721 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.037 -10.968 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.290 -9.533 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.257 -11.002 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.909 -12.971 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.079 -13.087 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.337 -12.988 -5.436 1.00 0.00 H new ATOM 1117 N TRP A 68 -4.254 -8.609 -6.049 1.00 0.00 N ATOM 1118 CA TRP A 68 -4.038 -7.166 -6.076 1.00 0.00 C ATOM 1119 C TRP A 68 -4.417 -6.591 -7.438 1.00 0.00 C ATOM 1120 O TRP A 68 -4.853 -5.444 -7.543 1.00 0.00 O ATOM 1121 CB TRP A 68 -2.576 -6.841 -5.758 1.00 0.00 C ATOM 1122 CG TRP A 68 -2.399 -5.970 -4.551 1.00 0.00 C ATOM 1123 CD1 TRP A 68 -1.375 -6.023 -3.650 1.00 0.00 C ATOM 1124 CD2 TRP A 68 -3.263 -4.913 -4.114 1.00 0.00 C ATOM 1125 NE1 TRP A 68 -1.550 -5.069 -2.680 1.00 0.00 N ATOM 1126 CE2 TRP A 68 -2.701 -4.374 -2.941 1.00 0.00 C ATOM 1127 CE3 TRP A 68 -4.458 -4.369 -4.596 1.00 0.00 C ATOM 1128 CZ2 TRP A 68 -3.291 -3.320 -2.247 1.00 0.00 C ATOM 1129 CZ3 TRP A 68 -5.042 -3.324 -3.907 1.00 0.00 C ATOM 1130 CH2 TRP A 68 -4.458 -2.809 -2.744 1.00 0.00 C ATOM 0 H TRP A 68 -3.424 -9.157 -5.822 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.674 -6.711 -5.317 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.031 -7.773 -5.605 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.127 -6.347 -6.620 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.547 -6.715 -3.694 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.924 -4.904 -1.892 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.917 -4.760 -5.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -2.843 -2.921 -1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -5.965 -2.897 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.939 -1.991 -2.228 1.00 0.00 H new ATOM 1141 N LYS A 69 -4.250 -7.397 -8.478 1.00 0.00 N ATOM 1142 CA LYS A 69 -4.578 -6.972 -9.835 1.00 0.00 C ATOM 1143 C LYS A 69 -6.089 -6.889 -10.028 1.00 0.00 C ATOM 1144 O LYS A 69 -6.577 -6.105 -10.842 1.00 0.00 O ATOM 1145 CB LYS A 69 -3.974 -7.939 -10.856 1.00 0.00 C ATOM 1146 CG LYS A 69 -3.470 -7.256 -12.117 1.00 0.00 C ATOM 1147 CD LYS A 69 -2.841 -8.253 -13.078 1.00 0.00 C ATOM 1148 CE LYS A 69 -1.511 -7.748 -13.615 1.00 0.00 C ATOM 1149 NZ LYS A 69 -0.639 -8.863 -14.077 1.00 0.00 N ATOM 0 H LYS A 69 -3.890 -8.349 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.154 -5.980 -9.991 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.149 -8.477 -10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.724 -8.681 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.297 -6.745 -12.611 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.738 -6.494 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.691 -9.205 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.522 -8.439 -13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.691 -7.061 -14.442 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.997 -7.183 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.258 -8.477 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.446 -9.505 -13.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.119 -9.387 -14.837 1.00 0.00 H new ATOM 1163 N PHE A 70 -6.823 -7.703 -9.277 1.00 0.00 N ATOM 1164 CA PHE A 70 -8.279 -7.722 -9.367 1.00 0.00 C ATOM 1165 C PHE A 70 -8.880 -6.445 -8.788 1.00 0.00 C ATOM 1166 O PHE A 70 -9.707 -5.793 -9.424 1.00 0.00 O ATOM 1167 CB PHE A 70 -8.840 -8.941 -8.633 1.00 0.00 C ATOM 1168 CG PHE A 70 -10.069 -9.517 -9.275 1.00 0.00 C ATOM 1169 CD1 PHE A 70 -11.251 -8.797 -9.309 1.00 0.00 C ATOM 1170 CD2 PHE A 70 -10.040 -10.779 -9.846 1.00 0.00 C ATOM 1171 CE1 PHE A 70 -12.384 -9.325 -9.900 1.00 0.00 C ATOM 1172 CE2 PHE A 70 -11.169 -11.312 -10.438 1.00 0.00 C ATOM 1173 CZ PHE A 70 -12.343 -10.584 -10.465 1.00 0.00 C ATOM 0 H PHE A 70 -6.434 -8.358 -8.599 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.550 -7.783 -10.421 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.070 -9.711 -8.585 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.074 -8.660 -7.606 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -11.289 -7.811 -8.869 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.125 -11.352 -9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -13.300 -8.753 -9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -11.134 -12.297 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 70 -13.227 -10.999 -10.927 1.00 0.00 H new ATOM 1183 N ILE A 71 -8.459 -6.093 -7.578 1.00 0.00 N ATOM 1184 CA ILE A 71 -8.958 -4.893 -6.917 1.00 0.00 C ATOM 1185 C ILE A 71 -8.104 -3.678 -7.266 1.00 0.00 C ATOM 1186 O ILE A 71 -6.969 -3.549 -6.806 1.00 0.00 O ATOM 1187 CB ILE A 71 -8.997 -5.068 -5.382 1.00 0.00 C ATOM 1188 CG1 ILE A 71 -9.612 -3.834 -4.720 1.00 0.00 C ATOM 1189 CG2 ILE A 71 -7.601 -5.330 -4.836 1.00 0.00 C ATOM 1190 CD1 ILE A 71 -10.030 -4.064 -3.284 1.00 0.00 C ATOM 0 H ILE A 71 -7.775 -6.621 -7.036 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.974 -4.731 -7.277 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.621 -5.931 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.892 -3.017 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.481 -3.517 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.650 -5.450 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.200 -6.239 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.952 -4.489 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.458 -3.147 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.774 -4.860 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.160 -4.351 -2.693 1.00 0.00 H new ATOM 1202 N ARG A 72 -8.658 -2.789 -8.084 1.00 0.00 N ATOM 1203 CA ARG A 72 -7.950 -1.583 -8.498 1.00 0.00 C ATOM 1204 C ARG A 72 -7.846 -0.590 -7.345 1.00 0.00 C ATOM 1205 O ARG A 72 -7.101 0.402 -7.485 1.00 0.00 O ATOM 1206 CB ARG A 72 -8.661 -0.931 -9.686 1.00 0.00 C ATOM 1207 CG ARG A 72 -8.395 -1.626 -11.011 1.00 0.00 C ATOM 1208 CD ARG A 72 -9.501 -1.347 -12.018 1.00 0.00 C ATOM 1209 NE ARG A 72 -9.222 -0.160 -12.823 1.00 0.00 N ATOM 1210 CZ ARG A 72 -9.548 1.080 -12.460 1.00 0.00 C ATOM 1211 NH1 ARG A 72 -10.162 1.304 -11.304 1.00 0.00 N ATOM 1212 NH2 ARG A 72 -9.258 2.100 -13.255 1.00 0.00 N ATOM 1213 OXT ARG A 72 -8.512 -0.813 -6.312 1.00 0.00 O ATOM 0 H ARG A 72 -9.596 -2.881 -8.474 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.942 -1.869 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.735 -0.925 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.345 0.109 -9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.440 -1.289 -11.415 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.311 -2.701 -10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.620 -2.210 -12.673 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.446 -1.214 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.749 -0.288 -13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.387 0.524 -10.687 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.408 2.256 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.786 1.936 -14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.507 3.049 -12.978 1.00 0.00 H new TER 1227 ARG A 72