USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 66 THR OG1 : rot 48:sc= 1.5 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0) USER MOD Set 1.3: A 101 PNS S44 : rot -21:sc= -1.58! USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-1.4) USER MOD Set 2.2: A 79 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.33 (180deg=1.32) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -161:sc= -1.76 (180deg=-3.16!) USER MOD Single : A 22 SER OG : rot -51:sc= 0.139 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0954) USER MOD Single : A 31 GLN : amide:sc= 0.158 X(o=0.16,f=-0.052) USER MOD Single : A 32 THR OG1 : rot -142:sc= 0.564 USER MOD Single : A 41 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.57) USER MOD Single : A 43 MET CE :methyl 136:sc= -0.231 (180deg=-1.92!) USER MOD Single : A 44 ASN : amide:sc= -4.58! C(o=-4.6!,f=-5.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -162:sc= -0.25 (180deg=-0.496) USER MOD Single : A 51 TYR OH : rot 125:sc= 0.464 USER MOD Single : A 56 MET CE :methyl -174:sc= -0.0476 (180deg=-0.179) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.808 K(o=-0.81,f=-3.4!) USER MOD Single : A 77 SER OG : rot -9:sc= 0.223 USER MOD Single : A 82 GLN : amide:sc=-0.00917 X(o=-0.0092,f=-0.21) USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= 1.13 (180deg=0.733) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 101 PNS O33 : rot 109:sc= 0.0707 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.169 4.364 -7.393 1.00 0.00 N ATOM 2 CA MET A 1 13.309 3.410 -6.669 1.00 0.00 C ATOM 3 C MET A 1 13.416 3.666 -5.156 1.00 0.00 C ATOM 4 O MET A 1 14.503 3.574 -4.567 1.00 0.00 O ATOM 5 CB MET A 1 13.671 1.946 -7.059 1.00 0.00 C ATOM 6 CG MET A 1 13.075 1.487 -8.407 1.00 0.00 C ATOM 7 SD MET A 1 13.481 2.599 -9.773 1.00 0.00 S ATOM 8 CE MET A 1 12.479 1.932 -11.103 1.00 0.00 C ATOM 0 H1 MET A 1 14.109 4.179 -8.415 1.00 0.00 H new ATOM 0 H2 MET A 1 13.852 5.335 -7.198 1.00 0.00 H new ATOM 0 H3 MET A 1 15.154 4.252 -7.078 1.00 0.00 H new ATOM 0 HA MET A 1 12.267 3.559 -6.954 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.756 1.851 -7.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.323 1.275 -6.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.442 0.487 -8.638 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.991 1.416 -8.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.632 2.523 -12.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.768 0.898 -11.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.427 1.969 -10.820 1.00 0.00 H new ATOM 20 N ASP A 2 12.272 4.008 -4.542 1.00 0.00 N ATOM 21 CA ASP A 2 12.186 4.483 -3.154 1.00 0.00 C ATOM 22 C ASP A 2 11.333 3.494 -2.363 1.00 0.00 C ATOM 23 O ASP A 2 10.305 3.863 -1.774 1.00 0.00 O ATOM 24 CB ASP A 2 11.574 5.912 -3.111 1.00 0.00 C ATOM 25 CG ASP A 2 12.261 6.894 -4.074 1.00 0.00 C ATOM 26 OD1 ASP A 2 11.992 6.810 -5.294 1.00 0.00 O ATOM 27 OD2 ASP A 2 13.095 7.715 -3.637 1.00 0.00 O ATOM 0 H ASP A 2 11.365 3.961 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 2 13.180 4.541 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.514 5.854 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.645 6.300 -2.095 1.00 0.00 H new ATOM 32 N GLY A 3 11.783 2.231 -2.370 1.00 0.00 N ATOM 33 CA GLY A 3 11.047 1.125 -1.774 1.00 0.00 C ATOM 34 C GLY A 3 10.759 1.329 -0.302 1.00 0.00 C ATOM 35 O GLY A 3 9.622 1.207 0.121 1.00 0.00 O ATOM 0 H GLY A 3 12.670 1.955 -2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.106 0.993 -2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.618 0.205 -1.903 1.00 0.00 H new ATOM 39 N GLU A 4 11.788 1.731 0.454 1.00 0.00 N ATOM 40 CA GLU A 4 11.713 1.853 1.928 1.00 0.00 C ATOM 41 C GLU A 4 10.693 2.923 2.363 1.00 0.00 C ATOM 42 O GLU A 4 10.077 2.825 3.436 1.00 0.00 O ATOM 43 CB GLU A 4 13.113 2.196 2.493 1.00 0.00 C ATOM 44 CG GLU A 4 13.667 3.564 2.026 1.00 0.00 C ATOM 45 CD GLU A 4 15.142 3.778 2.379 1.00 0.00 C ATOM 46 OE1 GLU A 4 15.449 4.048 3.558 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.005 3.670 1.476 1.00 0.00 O ATOM 0 H GLU A 4 12.698 1.982 0.068 1.00 0.00 H new ATOM 0 HA GLU A 4 11.377 0.896 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.065 2.188 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.813 1.414 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.544 3.647 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.074 4.360 2.477 1.00 0.00 H new ATOM 54 N GLU A 5 10.539 3.940 1.495 1.00 0.00 N ATOM 55 CA GLU A 5 9.621 5.054 1.701 1.00 0.00 C ATOM 56 C GLU A 5 8.183 4.573 1.549 1.00 0.00 C ATOM 57 O GLU A 5 7.416 4.588 2.513 1.00 0.00 O ATOM 58 CB GLU A 5 9.952 6.185 0.689 1.00 0.00 C ATOM 59 CG GLU A 5 11.340 6.813 0.906 1.00 0.00 C ATOM 60 CD GLU A 5 11.430 7.527 2.263 1.00 0.00 C ATOM 61 OE1 GLU A 5 10.835 8.621 2.396 1.00 0.00 O ATOM 62 OE2 GLU A 5 12.058 6.994 3.205 1.00 0.00 O ATOM 0 H GLU A 5 11.061 4.003 0.621 1.00 0.00 H new ATOM 0 HA GLU A 5 9.735 5.451 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.897 5.784 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.193 6.964 0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.104 6.037 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.548 7.523 0.106 1.00 0.00 H new ATOM 69 N VAL A 6 7.869 4.041 0.361 1.00 0.00 N ATOM 70 CA VAL A 6 6.505 3.614 0.013 1.00 0.00 C ATOM 71 C VAL A 6 6.055 2.437 0.897 1.00 0.00 C ATOM 72 O VAL A 6 4.897 2.378 1.310 1.00 0.00 O ATOM 73 CB VAL A 6 6.377 3.270 -1.530 1.00 0.00 C ATOM 74 CG1 VAL A 6 7.452 2.265 -2.003 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.959 2.764 -1.886 1.00 0.00 C ATOM 0 H VAL A 6 8.549 3.894 -0.385 1.00 0.00 H new ATOM 0 HA VAL A 6 5.834 4.451 0.209 1.00 0.00 H new ATOM 0 HB VAL A 6 6.549 4.203 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.319 2.064 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.443 2.686 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.353 1.335 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.910 2.539 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.740 1.862 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.226 3.534 -1.644 1.00 0.00 H new ATOM 85 N LYS A 7 6.996 1.542 1.244 1.00 0.00 N ATOM 86 CA LYS A 7 6.697 0.367 2.068 1.00 0.00 C ATOM 87 C LYS A 7 6.275 0.780 3.490 1.00 0.00 C ATOM 88 O LYS A 7 5.125 0.545 3.890 1.00 0.00 O ATOM 89 CB LYS A 7 7.901 -0.612 2.136 1.00 0.00 C ATOM 90 CG LYS A 7 8.182 -1.391 0.827 1.00 0.00 C ATOM 91 CD LYS A 7 9.310 -2.433 0.987 1.00 0.00 C ATOM 92 CE LYS A 7 10.637 -1.850 1.503 1.00 0.00 C ATOM 93 NZ LYS A 7 11.585 -2.917 1.891 1.00 0.00 N ATOM 0 H LYS A 7 7.974 1.614 0.963 1.00 0.00 H new ATOM 0 HA LYS A 7 5.866 -0.151 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.794 -0.048 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.723 -1.329 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.270 -1.894 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.452 -0.687 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.976 -3.211 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.486 -2.912 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.086 -1.226 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.443 -1.205 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.468 -2.489 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.165 -3.497 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.789 -3.517 1.066 1.00 0.00 H new ATOM 107 N GLU A 8 7.194 1.425 4.234 1.00 0.00 N ATOM 108 CA GLU A 8 6.996 1.717 5.645 1.00 0.00 C ATOM 109 C GLU A 8 5.839 2.710 5.866 1.00 0.00 C ATOM 110 O GLU A 8 5.079 2.546 6.820 1.00 0.00 O ATOM 111 CB GLU A 8 8.334 2.199 6.283 1.00 0.00 C ATOM 112 CG GLU A 8 8.183 2.905 7.655 1.00 0.00 C ATOM 113 CD GLU A 8 9.320 2.641 8.661 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.503 2.684 8.276 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.027 2.343 9.841 1.00 0.00 O ATOM 0 H GLU A 8 8.087 1.752 3.865 1.00 0.00 H new ATOM 0 HA GLU A 8 6.699 0.800 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.993 1.339 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.825 2.883 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.112 3.979 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.242 2.590 8.105 1.00 0.00 H new ATOM 122 N LYS A 9 5.692 3.694 4.957 1.00 0.00 N ATOM 123 CA LYS A 9 4.593 4.681 5.011 1.00 0.00 C ATOM 124 C LYS A 9 3.221 3.992 4.950 1.00 0.00 C ATOM 125 O LYS A 9 2.372 4.222 5.821 1.00 0.00 O ATOM 126 CB LYS A 9 4.742 5.734 3.873 1.00 0.00 C ATOM 127 CG LYS A 9 5.873 6.745 4.135 1.00 0.00 C ATOM 128 CD LYS A 9 6.034 7.809 3.027 1.00 0.00 C ATOM 129 CE LYS A 9 7.183 8.774 3.348 1.00 0.00 C ATOM 130 NZ LYS A 9 7.369 9.822 2.327 1.00 0.00 N ATOM 0 H LYS A 9 6.326 3.828 4.170 1.00 0.00 H new ATOM 0 HA LYS A 9 4.657 5.202 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.933 5.219 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.801 6.272 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.684 7.248 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.813 6.203 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.224 7.318 2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.105 8.369 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.993 9.246 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.108 8.206 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.159 10.439 2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.580 9.380 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.500 10.387 2.247 1.00 0.00 H new ATOM 144 N ILE A 10 3.020 3.132 3.934 1.00 0.00 N ATOM 145 CA ILE A 10 1.737 2.425 3.742 1.00 0.00 C ATOM 146 C ILE A 10 1.461 1.469 4.915 1.00 0.00 C ATOM 147 O ILE A 10 0.377 1.512 5.500 1.00 0.00 O ATOM 148 CB ILE A 10 1.706 1.645 2.382 1.00 0.00 C ATOM 149 CG1 ILE A 10 1.833 2.645 1.197 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.432 0.764 2.229 1.00 0.00 C ATOM 151 CD1 ILE A 10 1.978 1.988 -0.160 1.00 0.00 C ATOM 0 H ILE A 10 3.728 2.909 3.234 1.00 0.00 H new ATOM 0 HA ILE A 10 0.950 3.178 3.712 1.00 0.00 H new ATOM 0 HB ILE A 10 2.557 0.964 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.953 3.288 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.696 3.288 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.461 0.246 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.397 0.032 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.455 1.396 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.060 2.756 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.874 1.367 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.104 1.368 -0.359 1.00 0.00 H new ATOM 163 N ARG A 11 2.478 0.643 5.278 1.00 0.00 N ATOM 164 CA ARG A 11 2.348 -0.389 6.338 1.00 0.00 C ATOM 165 C ARG A 11 2.069 0.256 7.703 1.00 0.00 C ATOM 166 O ARG A 11 1.460 -0.364 8.584 1.00 0.00 O ATOM 167 CB ARG A 11 3.603 -1.323 6.370 1.00 0.00 C ATOM 168 CG ARG A 11 4.861 -0.850 7.156 1.00 0.00 C ATOM 169 CD ARG A 11 4.897 -1.302 8.649 1.00 0.00 C ATOM 170 NE ARG A 11 6.181 -1.936 9.008 1.00 0.00 N ATOM 171 CZ ARG A 11 7.310 -1.300 9.301 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.362 0.028 9.289 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.392 -2.006 9.583 1.00 0.00 N ATOM 0 H ARG A 11 3.402 0.674 4.848 1.00 0.00 H new ATOM 0 HA ARG A 11 1.490 -1.017 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.293 -2.281 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.906 -1.507 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.751 -1.228 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.910 0.238 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.727 -0.439 9.293 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.083 -2.003 8.835 1.00 0.00 H new ATOM 0 HE ARG A 11 6.203 -2.955 9.033 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.530 0.569 9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.234 0.506 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.353 -3.025 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.266 -1.531 9.810 1.00 0.00 H new ATOM 187 N ARG A 12 2.542 1.506 7.858 1.00 0.00 N ATOM 188 CA ARG A 12 2.265 2.327 9.031 1.00 0.00 C ATOM 189 C ARG A 12 0.791 2.720 9.031 1.00 0.00 C ATOM 190 O ARG A 12 0.103 2.493 10.015 1.00 0.00 O ATOM 191 CB ARG A 12 3.190 3.598 9.071 1.00 0.00 C ATOM 192 CG ARG A 12 4.277 3.599 10.161 1.00 0.00 C ATOM 193 CD ARG A 12 5.160 2.348 10.118 1.00 0.00 C ATOM 194 NE ARG A 12 6.341 2.472 10.985 1.00 0.00 N ATOM 195 CZ ARG A 12 6.477 1.984 12.232 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.502 1.295 12.830 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.612 2.191 12.873 1.00 0.00 N ATOM 0 H ARG A 12 3.129 1.969 7.164 1.00 0.00 H new ATOM 0 HA ARG A 12 2.482 1.748 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.675 3.702 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.562 4.478 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.902 4.484 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.804 3.671 11.140 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.575 1.481 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.482 2.167 9.092 1.00 0.00 H new ATOM 0 HE ARG A 12 7.139 2.980 10.602 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.623 1.125 12.341 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.636 0.938 13.776 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.364 2.712 12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.737 1.830 13.819 1.00 0.00 H new ATOM 211 N TYR A 13 0.310 3.266 7.890 1.00 0.00 N ATOM 212 CA TYR A 13 -1.070 3.774 7.757 1.00 0.00 C ATOM 213 C TYR A 13 -2.112 2.656 7.948 1.00 0.00 C ATOM 214 O TYR A 13 -3.245 2.918 8.375 1.00 0.00 O ATOM 215 CB TYR A 13 -1.271 4.445 6.384 1.00 0.00 C ATOM 216 CG TYR A 13 -2.607 5.202 6.253 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.887 6.296 7.075 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.575 4.834 5.316 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.073 6.986 6.961 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.760 5.521 5.207 1.00 0.00 C ATOM 221 CZ TYR A 13 -5.006 6.595 6.025 1.00 0.00 C ATOM 222 OH TYR A 13 -6.197 7.283 5.911 1.00 0.00 O ATOM 0 H TYR A 13 0.867 3.365 7.041 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.219 4.513 8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.451 5.140 6.206 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.218 3.683 5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.161 6.606 7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.389 3.993 4.664 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.272 7.831 7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.497 5.216 4.479 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.742 6.879 5.203 1.00 0.00 H new ATOM 232 N ILE A 14 -1.722 1.418 7.612 1.00 0.00 N ATOM 233 CA ILE A 14 -2.558 0.235 7.844 1.00 0.00 C ATOM 234 C ILE A 14 -2.741 0.010 9.362 1.00 0.00 C ATOM 235 O ILE A 14 -3.794 -0.421 9.799 1.00 0.00 O ATOM 236 CB ILE A 14 -1.947 -1.038 7.150 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.748 -0.793 5.619 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.828 -2.293 7.379 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.794 -1.759 4.944 1.00 0.00 C ATOM 0 H ILE A 14 -0.824 1.211 7.175 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.537 0.408 7.397 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.975 -1.221 7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.718 -0.856 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.381 0.223 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.374 -3.152 6.885 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.909 -2.490 8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.822 -2.120 6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.717 -1.514 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.190 -1.682 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.168 -2.777 5.055 1.00 0.00 H new ATOM 251 N MET A 15 -1.704 0.328 10.155 1.00 0.00 N ATOM 252 CA MET A 15 -1.783 0.269 11.630 1.00 0.00 C ATOM 253 C MET A 15 -2.560 1.475 12.203 1.00 0.00 C ATOM 254 O MET A 15 -3.286 1.333 13.191 1.00 0.00 O ATOM 255 CB MET A 15 -0.369 0.248 12.264 1.00 0.00 C ATOM 256 CG MET A 15 0.523 -0.920 11.850 1.00 0.00 C ATOM 257 SD MET A 15 2.054 -0.958 12.806 1.00 0.00 S ATOM 258 CE MET A 15 2.767 -2.495 12.256 1.00 0.00 C ATOM 0 H MET A 15 -0.797 0.630 9.800 1.00 0.00 H new ATOM 0 HA MET A 15 -2.311 -0.652 11.878 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.138 1.178 12.007 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.477 0.233 13.349 1.00 0.00 H new ATOM 0 HG2 MET A 15 -0.016 -1.857 11.988 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.758 -0.841 10.789 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.517 -2.826 12.974 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.985 -3.250 12.175 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.235 -2.351 11.282 1.00 0.00 H new ATOM 268 N GLU A 16 -2.366 2.663 11.586 1.00 0.00 N ATOM 269 CA GLU A 16 -2.912 3.944 12.093 1.00 0.00 C ATOM 270 C GLU A 16 -4.442 4.004 11.901 1.00 0.00 C ATOM 271 O GLU A 16 -5.194 4.268 12.842 1.00 0.00 O ATOM 272 CB GLU A 16 -2.268 5.176 11.371 1.00 0.00 C ATOM 273 CG GLU A 16 -0.730 5.188 11.277 1.00 0.00 C ATOM 274 CD GLU A 16 -0.005 5.010 12.615 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.099 5.995 13.379 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.481 3.892 12.905 1.00 0.00 O ATOM 0 H GLU A 16 -1.828 2.761 10.725 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.669 3.989 13.155 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.672 5.229 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.586 6.080 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.415 4.394 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.414 6.131 10.831 1.00 0.00 H new ATOM 283 N ASP A 17 -4.872 3.777 10.652 1.00 0.00 N ATOM 284 CA ASP A 17 -6.256 4.018 10.209 1.00 0.00 C ATOM 285 C ASP A 17 -7.081 2.716 10.114 1.00 0.00 C ATOM 286 O ASP A 17 -8.203 2.651 10.633 1.00 0.00 O ATOM 287 CB ASP A 17 -6.203 4.726 8.837 1.00 0.00 C ATOM 288 CG ASP A 17 -7.570 5.206 8.316 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.084 6.227 8.827 1.00 0.00 O ATOM 290 OD2 ASP A 17 -8.122 4.589 7.378 1.00 0.00 O ATOM 0 H ASP A 17 -4.266 3.418 9.914 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.757 4.643 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.534 5.584 8.910 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.768 4.044 8.106 1.00 0.00 H new ATOM 295 N LEU A 18 -6.518 1.683 9.437 1.00 0.00 N ATOM 296 CA LEU A 18 -7.275 0.462 9.051 1.00 0.00 C ATOM 297 C LEU A 18 -7.465 -0.495 10.253 1.00 0.00 C ATOM 298 O LEU A 18 -8.575 -0.638 10.779 1.00 0.00 O ATOM 299 CB LEU A 18 -6.577 -0.266 7.856 1.00 0.00 C ATOM 300 CG LEU A 18 -6.182 0.630 6.631 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.596 -0.209 5.478 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.359 1.499 6.145 1.00 0.00 C ATOM 0 H LEU A 18 -5.540 1.671 9.146 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.267 0.775 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.675 -0.750 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.240 -1.056 7.502 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.402 1.308 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.334 0.447 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.703 -0.730 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.335 -0.938 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.039 2.103 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.185 0.856 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.686 2.154 6.953 1.00 0.00 H new ATOM 314 N ILE A 19 -6.367 -1.136 10.676 1.00 0.00 N ATOM 315 CA ILE A 19 -6.343 -2.086 11.810 1.00 0.00 C ATOM 316 C ILE A 19 -6.182 -1.303 13.131 1.00 0.00 C ATOM 317 O ILE A 19 -5.768 -0.136 13.118 1.00 0.00 O ATOM 318 CB ILE A 19 -5.147 -3.116 11.663 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.061 -3.687 10.213 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.245 -4.281 12.687 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.861 -4.597 9.978 1.00 0.00 C ATOM 0 H ILE A 19 -5.455 -1.011 10.238 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.281 -2.642 11.814 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.235 -2.559 11.875 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.974 -4.242 9.997 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.019 -2.857 9.508 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.404 -4.960 12.547 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.222 -3.878 13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.178 -4.823 12.534 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.871 -4.954 8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.941 -4.041 10.161 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.911 -5.448 10.657 1.00 0.00 H new ATOM 333 N GLY A 20 -6.513 -1.947 14.258 1.00 0.00 N ATOM 334 CA GLY A 20 -6.334 -1.364 15.588 1.00 0.00 C ATOM 335 C GLY A 20 -5.428 -2.222 16.474 1.00 0.00 C ATOM 336 O GLY A 20 -4.201 -2.086 16.404 1.00 0.00 O ATOM 0 H GLY A 20 -6.912 -2.886 14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.907 -0.366 15.492 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.306 -1.249 16.067 1.00 0.00 H new ATOM 340 N PRO A 21 -6.005 -3.158 17.295 1.00 0.00 N ATOM 341 CA PRO A 21 -5.231 -3.910 18.321 1.00 0.00 C ATOM 342 C PRO A 21 -4.314 -5.013 17.727 1.00 0.00 C ATOM 343 O PRO A 21 -3.294 -5.366 18.326 1.00 0.00 O ATOM 344 CB PRO A 21 -6.349 -4.510 19.209 1.00 0.00 C ATOM 345 CG PRO A 21 -7.504 -4.711 18.273 1.00 0.00 C ATOM 346 CD PRO A 21 -7.444 -3.554 17.290 1.00 0.00 C ATOM 0 HA PRO A 21 -4.530 -3.271 18.858 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.035 -5.451 19.660 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.612 -3.837 20.025 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.427 -5.668 17.756 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.450 -4.716 18.814 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.772 -3.856 16.296 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.087 -2.731 17.601 1.00 0.00 H new ATOM 354 N SER A 22 -4.679 -5.532 16.539 1.00 0.00 N ATOM 355 CA SER A 22 -3.972 -6.657 15.890 1.00 0.00 C ATOM 356 C SER A 22 -2.924 -6.123 14.885 1.00 0.00 C ATOM 357 O SER A 22 -2.733 -6.675 13.790 1.00 0.00 O ATOM 358 CB SER A 22 -5.023 -7.584 15.228 1.00 0.00 C ATOM 359 OG SER A 22 -4.447 -8.803 14.788 1.00 0.00 O ATOM 0 H SER A 22 -5.472 -5.184 16.001 1.00 0.00 H new ATOM 0 HA SER A 22 -3.420 -7.242 16.625 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.821 -7.795 15.940 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.479 -7.071 14.381 1.00 0.00 H new ATOM 0 HG SER A 22 -3.655 -8.613 14.244 1.00 0.00 H new ATOM 365 N ALA A 23 -2.215 -5.059 15.294 1.00 0.00 N ATOM 366 CA ALA A 23 -1.176 -4.415 14.494 1.00 0.00 C ATOM 367 C ALA A 23 0.026 -4.139 15.396 1.00 0.00 C ATOM 368 O ALA A 23 0.270 -3.008 15.834 1.00 0.00 O ATOM 369 CB ALA A 23 -1.711 -3.149 13.818 1.00 0.00 C ATOM 0 H ALA A 23 -2.354 -4.620 16.204 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.858 -5.073 13.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.918 -2.688 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.544 -3.409 13.165 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.052 -2.447 14.579 1.00 0.00 H new ATOM 375 N LYS A 24 0.710 -5.234 15.748 1.00 0.00 N ATOM 376 CA LYS A 24 1.966 -5.213 16.505 1.00 0.00 C ATOM 377 C LYS A 24 3.109 -4.738 15.580 1.00 0.00 C ATOM 378 O LYS A 24 2.933 -4.745 14.358 1.00 0.00 O ATOM 379 CB LYS A 24 2.238 -6.614 17.105 1.00 0.00 C ATOM 380 CG LYS A 24 3.223 -6.626 18.275 1.00 0.00 C ATOM 381 CD LYS A 24 3.498 -8.048 18.795 1.00 0.00 C ATOM 382 CE LYS A 24 4.342 -8.045 20.074 1.00 0.00 C ATOM 383 NZ LYS A 24 3.578 -7.509 21.229 1.00 0.00 N ATOM 0 H LYS A 24 0.400 -6.176 15.510 1.00 0.00 H new ATOM 0 HA LYS A 24 1.898 -4.513 17.337 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.293 -7.041 17.439 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.621 -7.264 16.318 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.161 -6.169 17.961 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.827 -6.016 19.086 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.551 -8.552 18.988 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.012 -8.622 18.024 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.673 -9.060 20.295 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.238 -7.444 19.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.112 -7.676 22.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.430 -6.487 21.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.657 -7.988 21.288 1.00 0.00 H new ATOM 397 N GLU A 25 4.265 -4.357 16.167 1.00 0.00 N ATOM 398 CA GLU A 25 5.382 -3.688 15.446 1.00 0.00 C ATOM 399 C GLU A 25 5.802 -4.435 14.165 1.00 0.00 C ATOM 400 O GLU A 25 6.028 -3.814 13.118 1.00 0.00 O ATOM 401 CB GLU A 25 6.608 -3.522 16.390 1.00 0.00 C ATOM 402 CG GLU A 25 6.292 -2.867 17.753 1.00 0.00 C ATOM 403 CD GLU A 25 5.643 -1.478 17.625 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.382 -0.473 17.521 1.00 0.00 O ATOM 405 OE2 GLU A 25 4.392 -1.384 17.631 1.00 0.00 O ATOM 0 H GLU A 25 4.455 -4.503 17.158 1.00 0.00 H new ATOM 0 HA GLU A 25 5.015 -2.709 15.138 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.048 -4.503 16.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.362 -2.922 15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.626 -3.521 18.317 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.214 -2.778 18.328 1.00 0.00 H new ATOM 412 N ASP A 26 5.850 -5.774 14.254 1.00 0.00 N ATOM 413 CA ASP A 26 6.337 -6.647 13.156 1.00 0.00 C ATOM 414 C ASP A 26 5.196 -7.479 12.558 1.00 0.00 C ATOM 415 O ASP A 26 5.446 -8.517 11.934 1.00 0.00 O ATOM 416 CB ASP A 26 7.485 -7.567 13.668 1.00 0.00 C ATOM 417 CG ASP A 26 8.689 -6.769 14.183 1.00 0.00 C ATOM 418 OD1 ASP A 26 9.577 -6.411 13.378 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.748 -6.473 15.392 1.00 0.00 O ATOM 0 H ASP A 26 5.555 -6.288 15.084 1.00 0.00 H new ATOM 0 HA ASP A 26 6.729 -6.010 12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.107 -8.205 14.467 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.807 -8.225 12.861 1.00 0.00 H new ATOM 424 N GLU A 27 3.939 -7.037 12.743 1.00 0.00 N ATOM 425 CA GLU A 27 2.783 -7.658 12.083 1.00 0.00 C ATOM 426 C GLU A 27 2.726 -7.212 10.621 1.00 0.00 C ATOM 427 O GLU A 27 2.739 -8.041 9.709 1.00 0.00 O ATOM 428 CB GLU A 27 1.459 -7.328 12.834 1.00 0.00 C ATOM 429 CG GLU A 27 1.243 -8.138 14.121 1.00 0.00 C ATOM 430 CD GLU A 27 1.189 -9.652 13.900 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.117 -10.172 13.530 1.00 0.00 O ATOM 432 OE2 GLU A 27 2.220 -10.334 14.104 1.00 0.00 O ATOM 0 H GLU A 27 3.701 -6.250 13.346 1.00 0.00 H new ATOM 0 HA GLU A 27 2.900 -8.741 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.450 -6.266 13.081 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.620 -7.506 12.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.048 -7.911 14.820 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.313 -7.816 14.590 1.00 0.00 H new ATOM 439 N LEU A 28 2.675 -5.889 10.406 1.00 0.00 N ATOM 440 CA LEU A 28 2.701 -5.293 9.063 1.00 0.00 C ATOM 441 C LEU A 28 4.149 -5.146 8.620 1.00 0.00 C ATOM 442 O LEU A 28 4.947 -4.491 9.302 1.00 0.00 O ATOM 443 CB LEU A 28 1.962 -3.919 9.020 1.00 0.00 C ATOM 444 CG LEU A 28 0.407 -3.975 9.035 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.120 -4.709 7.795 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.139 -4.611 10.330 1.00 0.00 C ATOM 0 H LEU A 28 2.615 -5.203 11.158 1.00 0.00 H new ATOM 0 HA LEU A 28 2.170 -5.952 8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.292 -3.326 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.277 -3.388 8.122 1.00 0.00 H new ATOM 0 HG LEU A 28 0.044 -2.948 9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.209 -4.737 7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.205 -4.185 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.269 -5.727 7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.228 -4.629 10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.238 -5.630 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.187 -4.025 11.189 1.00 0.00 H new ATOM 458 N ASP A 29 4.464 -5.791 7.494 1.00 0.00 N ATOM 459 CA ASP A 29 5.791 -5.770 6.857 1.00 0.00 C ATOM 460 C ASP A 29 5.656 -5.814 5.330 1.00 0.00 C ATOM 461 O ASP A 29 4.545 -5.894 4.778 1.00 0.00 O ATOM 462 CB ASP A 29 6.677 -6.965 7.345 1.00 0.00 C ATOM 463 CG ASP A 29 7.203 -6.792 8.777 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.679 -5.677 9.104 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.171 -7.766 9.563 1.00 0.00 O ATOM 0 H ASP A 29 3.788 -6.359 6.983 1.00 0.00 H new ATOM 0 HA ASP A 29 6.280 -4.840 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.095 -7.885 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.523 -7.081 6.667 1.00 0.00 H new ATOM 470 N ASP A 30 6.817 -5.782 4.673 1.00 0.00 N ATOM 471 CA ASP A 30 6.949 -5.800 3.208 1.00 0.00 C ATOM 472 C ASP A 30 6.600 -7.174 2.610 1.00 0.00 C ATOM 473 O ASP A 30 6.194 -7.272 1.448 1.00 0.00 O ATOM 474 CB ASP A 30 8.375 -5.354 2.812 1.00 0.00 C ATOM 475 CG ASP A 30 9.506 -6.282 3.286 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.625 -6.510 4.508 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.295 -6.766 2.448 1.00 0.00 O ATOM 0 H ASP A 30 7.716 -5.742 5.153 1.00 0.00 H new ATOM 0 HA ASP A 30 6.229 -5.096 2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.425 -5.272 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.552 -4.357 3.215 1.00 0.00 H new ATOM 482 N GLN A 31 6.736 -8.220 3.432 1.00 0.00 N ATOM 483 CA GLN A 31 6.531 -9.627 3.025 1.00 0.00 C ATOM 484 C GLN A 31 5.286 -10.215 3.708 1.00 0.00 C ATOM 485 O GLN A 31 5.050 -11.427 3.644 1.00 0.00 O ATOM 486 CB GLN A 31 7.795 -10.441 3.402 1.00 0.00 C ATOM 487 CG GLN A 31 9.093 -9.884 2.790 1.00 0.00 C ATOM 488 CD GLN A 31 10.370 -10.387 3.457 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.443 -11.532 3.917 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.365 -9.519 3.563 1.00 0.00 N ATOM 0 H GLN A 31 6.995 -8.119 4.413 1.00 0.00 H new ATOM 0 HA GLN A 31 6.370 -9.676 1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.894 -10.460 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.663 -11.473 3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.123 -10.145 1.732 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.071 -8.796 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.269 -8.582 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.228 -9.787 4.037 1.00 0.00 H new ATOM 499 N THR A 32 4.510 -9.348 4.389 1.00 0.00 N ATOM 500 CA THR A 32 3.262 -9.728 5.041 1.00 0.00 C ATOM 501 C THR A 32 2.159 -9.958 3.981 1.00 0.00 C ATOM 502 O THR A 32 1.934 -9.084 3.140 1.00 0.00 O ATOM 503 CB THR A 32 2.826 -8.638 6.063 1.00 0.00 C ATOM 504 OG1 THR A 32 3.820 -8.538 7.089 1.00 0.00 O ATOM 505 CG2 THR A 32 1.451 -8.925 6.698 1.00 0.00 C ATOM 0 H THR A 32 4.742 -8.361 4.497 1.00 0.00 H new ATOM 0 HA THR A 32 3.419 -10.659 5.586 1.00 0.00 H new ATOM 0 HB THR A 32 2.731 -7.698 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.384 -8.384 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.202 -8.130 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.692 -8.970 5.917 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.486 -9.878 7.225 1.00 0.00 H new ATOM 513 N PRO A 33 1.485 -11.149 3.992 1.00 0.00 N ATOM 514 CA PRO A 33 0.368 -11.447 3.074 1.00 0.00 C ATOM 515 C PRO A 33 -0.904 -10.651 3.467 1.00 0.00 C ATOM 516 O PRO A 33 -1.770 -11.132 4.200 1.00 0.00 O ATOM 517 CB PRO A 33 0.207 -12.980 3.230 1.00 0.00 C ATOM 518 CG PRO A 33 0.655 -13.275 4.632 1.00 0.00 C ATOM 519 CD PRO A 33 1.773 -12.294 4.906 1.00 0.00 C ATOM 0 HA PRO A 33 0.545 -11.156 2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.827 -13.287 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.813 -13.517 2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.163 -13.148 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.002 -14.304 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.780 -11.979 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.749 -12.734 4.699 1.00 0.00 H new ATOM 527 N LEU A 34 -0.969 -9.407 2.966 1.00 0.00 N ATOM 528 CA LEU A 34 -1.974 -8.403 3.343 1.00 0.00 C ATOM 529 C LEU A 34 -3.402 -8.846 2.963 1.00 0.00 C ATOM 530 O LEU A 34 -4.314 -8.820 3.799 1.00 0.00 O ATOM 531 CB LEU A 34 -1.619 -7.057 2.659 1.00 0.00 C ATOM 532 CG LEU A 34 -0.176 -6.509 2.949 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.114 -5.221 2.169 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.060 -6.306 4.459 1.00 0.00 C ATOM 0 H LEU A 34 -0.307 -9.064 2.270 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.959 -8.285 4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.733 -7.176 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.344 -6.307 2.975 1.00 0.00 H new ATOM 0 HG LEU A 34 0.526 -7.267 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.122 -4.876 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.032 -5.417 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.606 -4.453 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.069 -5.926 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.664 -5.590 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.057 -7.258 4.977 1.00 0.00 H new ATOM 546 N LEU A 35 -3.588 -9.260 1.696 1.00 0.00 N ATOM 547 CA LEU A 35 -4.913 -9.681 1.192 1.00 0.00 C ATOM 548 C LEU A 35 -5.326 -11.059 1.757 1.00 0.00 C ATOM 549 O LEU A 35 -6.519 -11.382 1.784 1.00 0.00 O ATOM 550 CB LEU A 35 -4.979 -9.669 -0.374 1.00 0.00 C ATOM 551 CG LEU A 35 -6.144 -8.802 -0.969 1.00 0.00 C ATOM 552 CD1 LEU A 35 -5.865 -7.299 -0.790 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.429 -9.146 -2.436 1.00 0.00 C ATOM 0 H LEU A 35 -2.842 -9.313 1.003 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.633 -8.946 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.031 -9.297 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.088 -10.694 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.045 -9.046 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.689 -6.723 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.769 -7.071 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.940 -7.037 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.242 -8.521 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.534 -8.966 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.713 -10.195 -2.515 1.00 0.00 H new ATOM 565 N GLU A 36 -4.336 -11.856 2.209 1.00 0.00 N ATOM 566 CA GLU A 36 -4.588 -13.157 2.868 1.00 0.00 C ATOM 567 C GLU A 36 -5.108 -12.930 4.296 1.00 0.00 C ATOM 568 O GLU A 36 -5.936 -13.693 4.795 1.00 0.00 O ATOM 569 CB GLU A 36 -3.303 -14.017 2.897 1.00 0.00 C ATOM 570 CG GLU A 36 -2.722 -14.357 1.512 1.00 0.00 C ATOM 571 CD GLU A 36 -3.707 -15.126 0.627 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.979 -16.310 0.919 1.00 0.00 O ATOM 573 OE2 GLU A 36 -4.210 -14.559 -0.370 1.00 0.00 O ATOM 0 H GLU A 36 -3.347 -11.620 2.129 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.344 -13.694 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.543 -13.491 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.517 -14.947 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.432 -13.435 1.008 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.816 -14.949 1.639 1.00 0.00 H new ATOM 580 N TRP A 37 -4.587 -11.871 4.941 1.00 0.00 N ATOM 581 CA TRP A 37 -5.104 -11.375 6.229 1.00 0.00 C ATOM 582 C TRP A 37 -6.478 -10.702 6.030 1.00 0.00 C ATOM 583 O TRP A 37 -7.251 -10.559 6.982 1.00 0.00 O ATOM 584 CB TRP A 37 -4.094 -10.375 6.868 1.00 0.00 C ATOM 585 CG TRP A 37 -2.818 -11.000 7.398 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.301 -12.232 7.096 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.903 -10.410 8.333 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.141 -12.441 7.788 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.874 -11.346 8.554 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.858 -9.180 9.006 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.183 -11.096 9.419 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.803 -8.935 9.866 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.204 -9.893 10.065 1.00 0.00 C ATOM 0 H TRP A 37 -3.796 -11.335 4.584 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.228 -12.221 6.905 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.830 -9.624 6.124 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.591 -9.853 7.685 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.746 -12.937 6.410 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.567 -13.283 7.739 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.631 -8.440 8.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.962 -11.828 9.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.753 -7.993 10.392 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.014 -9.673 10.745 1.00 0.00 H new ATOM 604 N GLY A 38 -6.747 -10.271 4.773 1.00 0.00 N ATOM 605 CA GLY A 38 -8.022 -9.664 4.385 1.00 0.00 C ATOM 606 C GLY A 38 -8.154 -8.223 4.841 1.00 0.00 C ATOM 607 O GLY A 38 -9.206 -7.606 4.651 1.00 0.00 O ATOM 0 H GLY A 38 -6.078 -10.340 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.124 -9.707 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.840 -10.249 4.806 1.00 0.00 H new ATOM 611 N ILE A 39 -7.053 -7.686 5.397 1.00 0.00 N ATOM 612 CA ILE A 39 -7.000 -6.357 6.020 1.00 0.00 C ATOM 613 C ILE A 39 -7.140 -5.232 4.977 1.00 0.00 C ATOM 614 O ILE A 39 -7.363 -4.084 5.346 1.00 0.00 O ATOM 615 CB ILE A 39 -5.659 -6.180 6.827 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.421 -6.329 5.883 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.590 -7.187 8.008 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.077 -6.204 6.563 1.00 0.00 C ATOM 0 H ILE A 39 -6.159 -8.176 5.425 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.844 -6.285 6.706 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.641 -5.174 7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.473 -7.301 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.487 -5.573 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.656 -7.047 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.430 -7.017 8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.636 -8.205 7.621 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.284 -6.322 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.995 -5.222 7.030 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.981 -6.977 7.325 1.00 0.00 H new ATOM 630 N LEU A 40 -6.965 -5.582 3.676 1.00 0.00 N ATOM 631 CA LEU A 40 -7.145 -4.647 2.551 1.00 0.00 C ATOM 632 C LEU A 40 -8.390 -5.059 1.740 1.00 0.00 C ATOM 633 O LEU A 40 -8.298 -5.759 0.726 1.00 0.00 O ATOM 634 CB LEU A 40 -5.885 -4.592 1.632 1.00 0.00 C ATOM 635 CG LEU A 40 -4.495 -4.373 2.312 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.395 -4.180 1.244 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.521 -3.211 3.332 1.00 0.00 C ATOM 0 H LEU A 40 -6.695 -6.522 3.385 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.286 -3.646 2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.840 -5.525 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.033 -3.791 0.908 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.258 -5.272 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.434 -4.029 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.344 -5.066 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.631 -3.309 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.533 -3.097 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.799 -2.287 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.249 -3.429 4.113 1.00 0.00 H new ATOM 649 N ASN A 41 -9.560 -4.690 2.258 1.00 0.00 N ATOM 650 CA ASN A 41 -10.848 -4.851 1.554 1.00 0.00 C ATOM 651 C ASN A 41 -11.182 -3.539 0.809 1.00 0.00 C ATOM 652 O ASN A 41 -10.660 -2.479 1.164 1.00 0.00 O ATOM 653 CB ASN A 41 -11.961 -5.246 2.572 1.00 0.00 C ATOM 654 CG ASN A 41 -13.365 -5.333 1.943 1.00 0.00 C ATOM 655 OD1 ASN A 41 -14.116 -4.356 1.935 1.00 0.00 O ATOM 656 ND2 ASN A 41 -13.710 -6.478 1.378 1.00 0.00 N ATOM 0 H ASN A 41 -9.650 -4.268 3.182 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.782 -5.652 0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.710 -6.209 3.017 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.978 -4.516 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.617 -6.568 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.069 -7.271 1.399 1.00 0.00 H new ATOM 663 N SER A 42 -12.065 -3.650 -0.205 1.00 0.00 N ATOM 664 CA SER A 42 -12.520 -2.558 -1.094 1.00 0.00 C ATOM 665 C SER A 42 -12.751 -1.206 -0.380 1.00 0.00 C ATOM 666 O SER A 42 -12.223 -0.166 -0.811 1.00 0.00 O ATOM 667 CB SER A 42 -13.829 -3.045 -1.751 1.00 0.00 C ATOM 668 OG SER A 42 -14.418 -2.142 -2.672 1.00 0.00 O ATOM 0 H SER A 42 -12.500 -4.543 -0.438 1.00 0.00 H new ATOM 0 HA SER A 42 -11.733 -2.354 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.630 -3.985 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.553 -3.260 -0.965 1.00 0.00 H new ATOM 673 N MET A 43 -13.495 -1.225 0.735 1.00 0.00 N ATOM 674 CA MET A 43 -13.891 0.000 1.445 1.00 0.00 C ATOM 675 C MET A 43 -12.676 0.683 2.113 1.00 0.00 C ATOM 676 O MET A 43 -12.569 1.908 2.096 1.00 0.00 O ATOM 677 CB MET A 43 -14.997 -0.308 2.493 1.00 0.00 C ATOM 678 CG MET A 43 -16.334 -0.837 1.928 1.00 0.00 C ATOM 679 SD MET A 43 -17.466 0.473 1.365 1.00 0.00 S ATOM 680 CE MET A 43 -16.826 0.970 -0.240 1.00 0.00 C ATOM 0 H MET A 43 -13.837 -2.083 1.168 1.00 0.00 H new ATOM 0 HA MET A 43 -14.297 0.695 0.710 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.607 -1.042 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.198 0.602 3.058 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.125 -1.507 1.094 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.832 -1.430 2.695 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.651 1.076 -0.944 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.305 1.923 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.132 0.213 -0.606 1.00 0.00 H new ATOM 690 N ASN A 44 -11.773 -0.106 2.720 1.00 0.00 N ATOM 691 CA ASN A 44 -10.604 0.445 3.447 1.00 0.00 C ATOM 692 C ASN A 44 -9.347 0.602 2.551 1.00 0.00 C ATOM 693 O ASN A 44 -8.375 1.249 2.958 1.00 0.00 O ATOM 694 CB ASN A 44 -10.278 -0.396 4.715 1.00 0.00 C ATOM 695 CG ASN A 44 -9.619 -1.744 4.408 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.285 -2.770 4.318 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.310 -1.741 4.209 1.00 0.00 N ATOM 0 H ASN A 44 -11.825 -1.125 2.725 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.890 1.449 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.619 0.181 5.363 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.199 -0.570 5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.828 -2.609 3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.784 -0.871 4.291 1.00 0.00 H new ATOM 704 N ILE A 45 -9.327 -0.030 1.360 1.00 0.00 N ATOM 705 CA ILE A 45 -8.134 -0.009 0.468 1.00 0.00 C ATOM 706 C ILE A 45 -7.999 1.360 -0.233 1.00 0.00 C ATOM 707 O ILE A 45 -6.898 1.790 -0.597 1.00 0.00 O ATOM 708 CB ILE A 45 -8.183 -1.182 -0.589 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.774 -1.440 -1.203 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.230 -0.905 -1.706 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.652 -2.749 -1.963 1.00 0.00 C ATOM 0 H ILE A 45 -10.115 -0.560 0.989 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.252 -0.163 1.089 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.496 -2.083 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.528 -0.619 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.034 -1.428 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.235 -1.734 -2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.219 -0.803 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.971 0.016 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.640 -2.848 -2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.863 -3.581 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.365 -2.759 -2.788 1.00 0.00 H new ATOM 723 N VAL A 46 -9.148 2.034 -0.403 1.00 0.00 N ATOM 724 CA VAL A 46 -9.217 3.383 -0.980 1.00 0.00 C ATOM 725 C VAL A 46 -8.590 4.427 -0.026 1.00 0.00 C ATOM 726 O VAL A 46 -8.108 5.470 -0.477 1.00 0.00 O ATOM 727 CB VAL A 46 -10.698 3.769 -1.340 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.310 2.744 -2.334 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.575 3.916 -0.074 1.00 0.00 C ATOM 0 H VAL A 46 -10.058 1.655 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.638 3.381 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.675 4.743 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.335 3.032 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.719 2.728 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.306 1.752 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.591 4.183 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.590 2.972 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.163 4.697 0.565 1.00 0.00 H new ATOM 739 N LYS A 47 -8.588 4.101 1.293 1.00 0.00 N ATOM 740 CA LYS A 47 -7.932 4.910 2.337 1.00 0.00 C ATOM 741 C LYS A 47 -6.418 4.940 2.071 1.00 0.00 C ATOM 742 O LYS A 47 -5.762 5.969 2.252 1.00 0.00 O ATOM 743 CB LYS A 47 -8.210 4.314 3.748 1.00 0.00 C ATOM 744 CG LYS A 47 -9.701 4.026 4.070 1.00 0.00 C ATOM 745 CD LYS A 47 -10.572 5.298 4.140 1.00 0.00 C ATOM 746 CE LYS A 47 -10.153 6.235 5.289 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.973 7.470 5.351 1.00 0.00 N ATOM 0 H LYS A 47 -9.045 3.265 1.657 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.333 5.923 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.649 3.385 3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.821 5.003 4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.107 3.359 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.764 3.499 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.503 5.835 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.616 5.013 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.236 5.701 6.236 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.104 6.506 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.648 8.063 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.875 7.997 4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.971 7.217 5.496 1.00 0.00 H new ATOM 761 N LEU A 48 -5.877 3.778 1.639 1.00 0.00 N ATOM 762 CA LEU A 48 -4.484 3.663 1.212 1.00 0.00 C ATOM 763 C LEU A 48 -4.240 4.493 -0.048 1.00 0.00 C ATOM 764 O LEU A 48 -3.272 5.216 -0.108 1.00 0.00 O ATOM 765 CB LEU A 48 -4.079 2.185 0.962 1.00 0.00 C ATOM 766 CG LEU A 48 -3.947 1.283 2.223 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.481 -0.135 1.840 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.006 1.918 3.276 1.00 0.00 C ATOM 0 H LEU A 48 -6.400 2.904 1.581 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.863 4.048 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.816 1.736 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.126 2.176 0.434 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.935 1.200 2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.397 -0.745 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.206 -0.586 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.510 -0.078 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.936 1.262 4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.015 2.054 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.404 2.885 3.583 1.00 0.00 H new ATOM 780 N MET A 49 -5.132 4.398 -1.048 1.00 0.00 N ATOM 781 CA MET A 49 -4.910 5.063 -2.354 1.00 0.00 C ATOM 782 C MET A 49 -4.879 6.608 -2.251 1.00 0.00 C ATOM 783 O MET A 49 -4.132 7.256 -2.994 1.00 0.00 O ATOM 784 CB MET A 49 -5.952 4.596 -3.391 1.00 0.00 C ATOM 785 CG MET A 49 -5.763 3.147 -3.857 1.00 0.00 C ATOM 786 SD MET A 49 -6.758 2.767 -5.304 1.00 0.00 S ATOM 787 CE MET A 49 -8.373 2.491 -4.596 1.00 0.00 C ATOM 0 H MET A 49 -6.005 3.875 -0.984 1.00 0.00 H new ATOM 0 HA MET A 49 -3.919 4.760 -2.693 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.949 4.702 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.907 5.255 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.711 2.974 -4.085 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.029 2.468 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.994 1.948 -5.308 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.274 1.907 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.838 3.450 -4.366 1.00 0.00 H new ATOM 797 N VAL A 50 -5.685 7.186 -1.336 1.00 0.00 N ATOM 798 CA VAL A 50 -5.687 8.647 -1.075 1.00 0.00 C ATOM 799 C VAL A 50 -4.438 9.055 -0.256 1.00 0.00 C ATOM 800 O VAL A 50 -3.925 10.177 -0.393 1.00 0.00 O ATOM 801 CB VAL A 50 -7.009 9.127 -0.350 1.00 0.00 C ATOM 802 CG1 VAL A 50 -8.262 8.731 -1.172 1.00 0.00 C ATOM 803 CG2 VAL A 50 -7.106 8.592 1.103 1.00 0.00 C ATOM 0 H VAL A 50 -6.347 6.663 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.654 9.146 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.966 10.214 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.159 9.071 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.213 9.196 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.296 7.647 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.029 8.947 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.103 7.502 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.254 8.950 1.680 1.00 0.00 H new ATOM 813 N TYR A 51 -3.969 8.114 0.591 1.00 0.00 N ATOM 814 CA TYR A 51 -2.742 8.255 1.385 1.00 0.00 C ATOM 815 C TYR A 51 -1.523 8.375 0.460 1.00 0.00 C ATOM 816 O TYR A 51 -0.752 9.320 0.544 1.00 0.00 O ATOM 817 CB TYR A 51 -2.580 7.016 2.298 1.00 0.00 C ATOM 818 CG TYR A 51 -1.315 7.031 3.163 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.230 7.867 4.275 1.00 0.00 C ATOM 820 CD2 TYR A 51 -0.216 6.218 2.864 1.00 0.00 C ATOM 821 CE1 TYR A 51 -0.100 7.898 5.055 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.916 6.245 3.643 1.00 0.00 C ATOM 823 CZ TYR A 51 0.969 7.086 4.742 1.00 0.00 C ATOM 824 OH TYR A 51 2.100 7.137 5.519 1.00 0.00 O ATOM 0 H TYR A 51 -4.444 7.224 0.741 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.812 9.156 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.451 6.943 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.571 6.120 1.677 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.067 8.501 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.258 5.560 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.049 8.556 5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.759 5.615 3.400 1.00 0.00 H new ATOM 0 HH TYR A 51 2.316 6.237 5.841 1.00 0.00 H new ATOM 834 N ILE A 52 -1.399 7.377 -0.419 1.00 0.00 N ATOM 835 CA ILE A 52 -0.317 7.241 -1.403 1.00 0.00 C ATOM 836 C ILE A 52 -0.359 8.403 -2.406 1.00 0.00 C ATOM 837 O ILE A 52 0.686 8.885 -2.839 1.00 0.00 O ATOM 838 CB ILE A 52 -0.477 5.851 -2.122 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.394 4.698 -1.065 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.551 5.634 -3.260 1.00 0.00 C ATOM 841 CD1 ILE A 52 -1.073 3.412 -1.478 1.00 0.00 C ATOM 0 H ILE A 52 -2.073 6.613 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 52 0.654 7.279 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.458 5.842 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.655 4.488 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.840 5.045 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.388 4.657 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.429 6.412 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.561 5.680 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.964 2.672 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.132 3.600 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.613 3.035 -2.392 1.00 0.00 H new ATOM 853 N ARG A 53 -1.585 8.859 -2.744 1.00 0.00 N ATOM 854 CA ARG A 53 -1.790 10.031 -3.619 1.00 0.00 C ATOM 855 C ARG A 53 -1.143 11.294 -3.031 1.00 0.00 C ATOM 856 O ARG A 53 -0.654 12.138 -3.777 1.00 0.00 O ATOM 857 CB ARG A 53 -3.300 10.256 -3.920 1.00 0.00 C ATOM 858 CG ARG A 53 -3.589 11.423 -4.903 1.00 0.00 C ATOM 859 CD ARG A 53 -5.070 11.558 -5.276 1.00 0.00 C ATOM 860 NE ARG A 53 -5.941 11.683 -4.087 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.445 12.831 -3.592 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.183 14.004 -4.158 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.220 12.793 -2.523 1.00 0.00 N ATOM 0 H ARG A 53 -2.452 8.429 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.293 9.821 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.717 9.337 -4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.821 10.449 -2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.249 12.357 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.006 11.274 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.203 12.432 -5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.376 10.689 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.182 10.822 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.589 14.049 -4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.576 14.859 -3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.433 11.900 -2.079 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.606 13.657 -2.142 1.00 0.00 H new ATOM 877 N ASP A 54 -1.116 11.413 -1.693 1.00 0.00 N ATOM 878 CA ASP A 54 -0.519 12.579 -1.014 1.00 0.00 C ATOM 879 C ASP A 54 0.989 12.340 -0.755 1.00 0.00 C ATOM 880 O ASP A 54 1.838 13.078 -1.267 1.00 0.00 O ATOM 881 CB ASP A 54 -1.275 12.864 0.309 1.00 0.00 C ATOM 882 CG ASP A 54 -0.831 14.170 0.986 1.00 0.00 C ATOM 883 OD1 ASP A 54 -1.413 15.239 0.677 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.120 14.146 1.802 1.00 0.00 O ATOM 0 H ASP A 54 -1.501 10.715 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.613 13.453 -1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.345 12.912 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.118 12.033 0.997 1.00 0.00 H new ATOM 889 N GLU A 55 1.289 11.277 0.016 1.00 0.00 N ATOM 890 CA GLU A 55 2.658 10.901 0.449 1.00 0.00 C ATOM 891 C GLU A 55 3.586 10.620 -0.747 1.00 0.00 C ATOM 892 O GLU A 55 4.566 11.332 -0.970 1.00 0.00 O ATOM 893 CB GLU A 55 2.575 9.645 1.358 1.00 0.00 C ATOM 894 CG GLU A 55 1.825 9.858 2.678 1.00 0.00 C ATOM 895 CD GLU A 55 2.642 10.648 3.705 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.501 10.039 4.385 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.444 11.874 3.834 1.00 0.00 O ATOM 0 H GLU A 55 0.574 10.639 0.365 1.00 0.00 H new ATOM 0 HA GLU A 55 3.083 11.741 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.087 8.844 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.587 9.307 1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.892 10.386 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.559 8.889 3.100 1.00 0.00 H new ATOM 904 N MET A 56 3.242 9.567 -1.509 1.00 0.00 N ATOM 905 CA MET A 56 4.015 9.120 -2.686 1.00 0.00 C ATOM 906 C MET A 56 3.677 9.971 -3.932 1.00 0.00 C ATOM 907 O MET A 56 4.393 9.911 -4.934 1.00 0.00 O ATOM 908 CB MET A 56 3.763 7.593 -2.952 1.00 0.00 C ATOM 909 CG MET A 56 4.834 6.642 -2.389 1.00 0.00 C ATOM 910 SD MET A 56 5.200 6.871 -0.633 1.00 0.00 S ATOM 911 CE MET A 56 3.670 6.394 0.168 1.00 0.00 C ATOM 0 H MET A 56 2.416 8.998 -1.326 1.00 0.00 H new ATOM 0 HA MET A 56 5.075 9.260 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 56 2.798 7.321 -2.524 1.00 0.00 H new ATOM 0 HB3 MET A 56 3.690 7.436 -4.028 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.507 5.614 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.754 6.775 -2.958 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.741 6.595 1.237 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.844 6.966 -0.255 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.493 5.330 0.010 1.00 0.00 H new ATOM 921 N GLY A 57 2.574 10.749 -3.863 1.00 0.00 N ATOM 922 CA GLY A 57 2.099 11.553 -4.994 1.00 0.00 C ATOM 923 C GLY A 57 1.407 10.715 -6.072 1.00 0.00 C ATOM 924 O GLY A 57 1.159 11.204 -7.174 1.00 0.00 O ATOM 0 H GLY A 57 1.997 10.832 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.405 12.310 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.943 12.081 -5.438 1.00 0.00 H new ATOM 928 N VAL A 58 1.066 9.457 -5.726 1.00 0.00 N ATOM 929 CA VAL A 58 0.618 8.429 -6.684 1.00 0.00 C ATOM 930 C VAL A 58 -0.856 8.065 -6.467 1.00 0.00 C ATOM 931 O VAL A 58 -1.218 7.483 -5.433 1.00 0.00 O ATOM 932 CB VAL A 58 1.487 7.130 -6.541 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.012 6.004 -7.494 1.00 0.00 C ATOM 934 CG2 VAL A 58 2.979 7.443 -6.748 1.00 0.00 C ATOM 0 H VAL A 58 1.095 9.124 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 58 0.735 8.846 -7.684 1.00 0.00 H new ATOM 0 HB VAL A 58 1.354 6.761 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.642 5.125 -7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.023 5.747 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.082 6.347 -8.526 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.561 6.527 -6.644 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.129 7.857 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.306 8.167 -6.002 1.00 0.00 H new ATOM 944 N SER A 59 -1.692 8.388 -7.457 1.00 0.00 N ATOM 945 CA SER A 59 -3.084 7.957 -7.506 1.00 0.00 C ATOM 946 C SER A 59 -3.138 6.602 -8.224 1.00 0.00 C ATOM 947 O SER A 59 -2.864 6.507 -9.429 1.00 0.00 O ATOM 948 CB SER A 59 -3.950 9.006 -8.225 1.00 0.00 C ATOM 949 OG SER A 59 -5.319 8.633 -8.251 1.00 0.00 O ATOM 0 H SER A 59 -1.415 8.962 -8.253 1.00 0.00 H new ATOM 0 HA SER A 59 -3.483 7.851 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.845 9.968 -7.724 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.590 9.137 -9.245 1.00 0.00 H new ATOM 0 HG SER A 59 -5.838 9.324 -8.714 1.00 0.00 H new ATOM 955 N ILE A 60 -3.429 5.556 -7.456 1.00 0.00 N ATOM 956 CA ILE A 60 -3.516 4.184 -7.957 1.00 0.00 C ATOM 957 C ILE A 60 -4.871 3.974 -8.682 1.00 0.00 C ATOM 958 O ILE A 60 -5.929 4.248 -8.097 1.00 0.00 O ATOM 959 CB ILE A 60 -3.341 3.157 -6.776 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.936 3.330 -6.104 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.572 1.699 -7.240 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.660 2.386 -4.939 1.00 0.00 C ATOM 0 H ILE A 60 -3.614 5.636 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.712 4.012 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.106 3.373 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.167 3.183 -6.862 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.843 4.357 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.442 1.023 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.584 1.598 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.853 1.447 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.665 2.582 -4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.402 2.546 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.716 1.354 -5.286 1.00 0.00 H new ATOM 974 N PRO A 61 -4.863 3.510 -9.980 1.00 0.00 N ATOM 975 CA PRO A 61 -6.107 3.182 -10.719 1.00 0.00 C ATOM 976 C PRO A 61 -6.778 1.917 -10.140 1.00 0.00 C ATOM 977 O PRO A 61 -6.082 0.979 -9.741 1.00 0.00 O ATOM 978 CB PRO A 61 -5.608 2.952 -12.168 1.00 0.00 C ATOM 979 CG PRO A 61 -4.188 2.485 -12.003 1.00 0.00 C ATOM 980 CD PRO A 61 -3.652 3.269 -10.820 1.00 0.00 C ATOM 0 HA PRO A 61 -6.866 3.962 -10.654 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.214 2.207 -12.684 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.660 3.868 -12.756 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.144 1.412 -11.818 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.602 2.677 -12.902 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.893 2.706 -10.277 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.190 4.205 -11.135 1.00 0.00 H new ATOM 988 N SER A 62 -8.122 1.902 -10.140 1.00 0.00 N ATOM 989 CA SER A 62 -8.951 0.827 -9.548 1.00 0.00 C ATOM 990 C SER A 62 -8.699 -0.562 -10.195 1.00 0.00 C ATOM 991 O SER A 62 -8.975 -1.598 -9.579 1.00 0.00 O ATOM 992 CB SER A 62 -10.445 1.229 -9.633 1.00 0.00 C ATOM 993 OG SER A 62 -10.830 1.544 -10.958 1.00 0.00 O ATOM 0 H SER A 62 -8.677 2.649 -10.558 1.00 0.00 H new ATOM 0 HA SER A 62 -8.661 0.718 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.063 0.413 -9.259 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.628 2.088 -8.987 1.00 0.00 H new ATOM 0 HG SER A 62 -11.778 1.791 -10.973 1.00 0.00 H new ATOM 999 N THR A 63 -8.151 -0.558 -11.429 1.00 0.00 N ATOM 1000 CA THR A 63 -7.753 -1.784 -12.144 1.00 0.00 C ATOM 1001 C THR A 63 -6.584 -2.513 -11.432 1.00 0.00 C ATOM 1002 O THR A 63 -6.502 -3.747 -11.471 1.00 0.00 O ATOM 1003 CB THR A 63 -7.363 -1.477 -13.636 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.006 -2.689 -14.316 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.202 -0.466 -13.767 1.00 0.00 C ATOM 0 H THR A 63 -7.973 0.297 -11.956 1.00 0.00 H new ATOM 0 HA THR A 63 -8.620 -2.444 -12.138 1.00 0.00 H new ATOM 0 HB THR A 63 -8.244 -1.026 -14.093 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.767 -2.485 -15.244 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.983 -0.298 -14.821 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.487 0.477 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.316 -0.863 -13.271 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.686 -1.732 -10.791 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.502 -2.266 -10.082 1.00 0.00 C ATOM 1015 C HIS A 64 -4.876 -2.888 -8.724 1.00 0.00 C ATOM 1016 O HIS A 64 -4.058 -3.597 -8.127 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.421 -1.162 -9.892 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.555 -0.900 -11.101 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.830 -1.383 -12.365 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.398 -0.207 -11.218 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.879 -1.002 -13.195 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.999 -0.286 -12.524 1.00 0.00 N ATOM 0 H HIS A 64 -5.762 -0.716 -10.751 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.088 -3.058 -10.706 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.918 -0.233 -9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.778 -1.444 -9.058 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.642 -1.946 -12.617 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.883 0.314 -10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.829 -1.237 -14.248 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.100 -2.615 -8.232 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.577 -3.146 -6.943 1.00 0.00 C ATOM 1033 C ILE A 65 -7.004 -4.602 -7.160 1.00 0.00 C ATOM 1034 O ILE A 65 -8.143 -4.893 -7.543 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.738 -2.277 -6.295 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.232 -0.872 -5.815 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.411 -3.010 -5.107 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.633 0.014 -6.869 1.00 0.00 C ATOM 0 H ILE A 65 -6.780 -2.025 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.763 -3.096 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.474 -2.129 -7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -8.070 -0.344 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.488 -1.025 -5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.199 -2.382 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.841 -3.949 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.667 -3.215 -4.337 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.320 0.956 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.769 -0.481 -7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.375 0.211 -7.643 1.00 0.00 H new ATOM 1050 N THR A 66 -6.032 -5.497 -6.998 1.00 0.00 N ATOM 1051 CA THR A 66 -6.219 -6.935 -7.149 1.00 0.00 C ATOM 1052 C THR A 66 -5.144 -7.677 -6.332 1.00 0.00 C ATOM 1053 O THR A 66 -4.148 -7.074 -5.896 1.00 0.00 O ATOM 1054 CB THR A 66 -6.200 -7.355 -8.662 1.00 0.00 C ATOM 1055 OG1 THR A 66 -6.521 -8.745 -8.795 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.846 -7.067 -9.340 1.00 0.00 C ATOM 0 H THR A 66 -5.076 -5.237 -6.754 1.00 0.00 H new ATOM 0 HA THR A 66 -7.200 -7.213 -6.763 1.00 0.00 H new ATOM 0 HB THR A 66 -6.953 -6.750 -9.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.319 -8.949 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.889 -7.377 -10.384 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.632 -6.000 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.058 -7.621 -8.829 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.346 -8.992 -6.158 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.532 -9.820 -5.262 1.00 0.00 C ATOM 1066 C GLY A 67 -3.151 -10.187 -5.774 1.00 0.00 C ATOM 1067 O GLY A 67 -2.458 -10.960 -5.123 1.00 0.00 O ATOM 0 H GLY A 67 -6.082 -9.511 -6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.419 -9.294 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.078 -10.740 -5.053 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.766 -9.690 -6.960 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.381 -9.813 -7.461 1.00 0.00 C ATOM 1073 C LYS A 68 -0.500 -8.657 -6.937 1.00 0.00 C ATOM 1074 O LYS A 68 0.675 -8.858 -6.622 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.343 -9.885 -9.019 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.792 -11.245 -9.623 1.00 0.00 C ATOM 1077 CD LYS A 68 -3.310 -11.541 -9.480 1.00 0.00 C ATOM 1078 CE LYS A 68 -4.164 -10.640 -10.385 1.00 0.00 C ATOM 1079 NZ LYS A 68 -5.610 -10.878 -10.213 1.00 0.00 N ATOM 0 H LYS A 68 -3.394 -9.197 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.973 -10.749 -7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.981 -9.098 -9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.327 -9.673 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.529 -11.264 -10.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.231 -12.046 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.500 -12.586 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.610 -11.399 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.942 -9.595 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.892 -10.813 -11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.077 -10.862 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.758 -11.805 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.015 -10.134 -9.609 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.083 -7.447 -6.868 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.374 -6.233 -6.413 1.00 0.00 C ATOM 1095 C TYR A 69 -0.508 -6.078 -4.892 1.00 0.00 C ATOM 1096 O TYR A 69 0.478 -5.912 -4.186 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.939 -4.978 -7.126 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.750 -4.983 -8.651 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.489 -4.702 -9.223 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.810 -5.257 -9.515 1.00 0.00 C ATOM 1101 CE1 TYR A 69 0.656 -4.694 -10.595 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.646 -5.251 -10.883 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.412 -4.968 -11.420 1.00 0.00 C ATOM 1104 OH TYR A 69 -0.242 -4.965 -12.788 1.00 0.00 O ATOM 0 H TYR A 69 -2.056 -7.281 -7.125 1.00 0.00 H new ATOM 0 HA TYR A 69 0.681 -6.334 -6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.003 -4.895 -6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.457 -4.092 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.333 -4.487 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.783 -5.479 -9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.624 -4.473 -11.020 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.483 -5.468 -11.531 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.093 -5.179 -13.224 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.744 -6.166 -4.390 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.048 -5.966 -2.955 1.00 0.00 C ATOM 1116 C PHE A 70 -2.003 -7.291 -2.168 1.00 0.00 C ATOM 1117 O PHE A 70 -2.575 -7.399 -1.077 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.407 -5.236 -2.821 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.361 -3.790 -3.331 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.582 -3.492 -4.675 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.067 -2.735 -2.464 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.520 -2.188 -5.132 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.009 -1.431 -2.923 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.231 -1.160 -4.257 1.00 0.00 C ATOM 0 H PHE A 70 -2.564 -6.377 -4.958 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.277 -5.339 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.166 -5.788 -3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.713 -5.237 -1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.804 -4.290 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.882 -2.940 -1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.698 -1.974 -6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.790 -0.626 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.179 -0.143 -4.617 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.262 -8.276 -2.716 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.954 -9.544 -2.036 1.00 0.00 C ATOM 1136 C LYS A 71 -0.074 -9.262 -0.817 1.00 0.00 C ATOM 1137 O LYS A 71 -0.370 -9.687 0.297 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.204 -10.495 -2.997 1.00 0.00 C ATOM 1139 CG LYS A 71 0.108 -11.879 -2.390 1.00 0.00 C ATOM 1140 CD LYS A 71 0.904 -12.804 -3.334 1.00 0.00 C ATOM 1141 CE LYS A 71 0.169 -13.087 -4.653 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.898 -14.072 -5.481 1.00 0.00 N ATOM 0 H LYS A 71 -0.859 -8.210 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.885 -10.016 -1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.802 -10.631 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.730 -10.024 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.673 -11.743 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.828 -12.368 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.870 -12.348 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.105 -13.747 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.833 -13.460 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.051 -12.158 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.374 -14.239 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.845 -13.704 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.989 -14.966 -4.958 1.00 0.00 H new ATOM 1156 N ASP A 72 1.004 -8.520 -1.081 1.00 0.00 N ATOM 1157 CA ASP A 72 1.993 -8.110 -0.090 1.00 0.00 C ATOM 1158 C ASP A 72 2.529 -6.730 -0.472 1.00 0.00 C ATOM 1159 O ASP A 72 2.369 -6.270 -1.609 1.00 0.00 O ATOM 1160 CB ASP A 72 3.153 -9.139 0.018 1.00 0.00 C ATOM 1161 CG ASP A 72 3.916 -9.345 -1.304 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.478 -10.177 -2.122 1.00 0.00 O ATOM 1163 OD2 ASP A 72 4.946 -8.677 -1.528 1.00 0.00 O ATOM 0 H ASP A 72 1.216 -8.180 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 72 1.516 -8.064 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.853 -8.806 0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.750 -10.096 0.349 1.00 0.00 H new ATOM 1168 N LEU A 73 3.207 -6.103 0.481 1.00 0.00 N ATOM 1169 CA LEU A 73 3.634 -4.702 0.411 1.00 0.00 C ATOM 1170 C LEU A 73 4.820 -4.480 -0.569 1.00 0.00 C ATOM 1171 O LEU A 73 5.038 -3.357 -1.028 1.00 0.00 O ATOM 1172 CB LEU A 73 3.975 -4.266 1.846 1.00 0.00 C ATOM 1173 CG LEU A 73 4.455 -2.808 2.059 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.334 -1.786 1.766 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.045 -2.646 3.473 1.00 0.00 C ATOM 0 H LEU A 73 3.485 -6.562 1.348 1.00 0.00 H new ATOM 0 HA LEU A 73 2.830 -4.088 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.090 -4.422 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.749 -4.933 2.225 1.00 0.00 H new ATOM 0 HG LEU A 73 5.248 -2.596 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.711 -0.776 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.008 -1.891 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.491 -1.969 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.379 -1.618 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.282 -2.883 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.891 -3.322 3.594 1.00 0.00 H new ATOM 1187 N ASN A 74 5.577 -5.552 -0.888 1.00 0.00 N ATOM 1188 CA ASN A 74 6.622 -5.498 -1.943 1.00 0.00 C ATOM 1189 C ASN A 74 5.976 -5.456 -3.334 1.00 0.00 C ATOM 1190 O ASN A 74 6.477 -4.794 -4.252 1.00 0.00 O ATOM 1191 CB ASN A 74 7.600 -6.700 -1.844 1.00 0.00 C ATOM 1192 CG ASN A 74 8.619 -6.569 -0.716 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.059 -5.467 -0.392 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.997 -7.685 -0.109 1.00 0.00 N ATOM 0 H ASN A 74 5.488 -6.462 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 74 7.198 -4.586 -1.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.025 -7.614 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.130 -6.805 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.674 -7.647 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.611 -8.582 -0.404 1.00 0.00 H new ATOM 1201 N ALA A 75 4.867 -6.186 -3.481 1.00 0.00 N ATOM 1202 CA ALA A 75 4.077 -6.203 -4.721 1.00 0.00 C ATOM 1203 C ALA A 75 3.285 -4.893 -4.889 1.00 0.00 C ATOM 1204 O ALA A 75 2.922 -4.519 -6.014 1.00 0.00 O ATOM 1205 CB ALA A 75 3.160 -7.423 -4.728 1.00 0.00 C ATOM 0 H ALA A 75 4.489 -6.783 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 75 4.752 -6.276 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.575 -7.434 -5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.761 -8.330 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.488 -7.378 -3.871 1.00 0.00 H new ATOM 1211 N ILE A 76 2.997 -4.218 -3.762 1.00 0.00 N ATOM 1212 CA ILE A 76 2.408 -2.866 -3.767 1.00 0.00 C ATOM 1213 C ILE A 76 3.480 -1.829 -4.146 1.00 0.00 C ATOM 1214 O ILE A 76 3.242 -0.969 -4.993 1.00 0.00 O ATOM 1215 CB ILE A 76 1.780 -2.490 -2.369 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.645 -3.485 -1.998 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.263 -1.021 -2.328 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.023 -3.221 -0.662 1.00 0.00 C ATOM 0 H ILE A 76 3.164 -4.591 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 76 1.606 -2.861 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 76 2.574 -2.567 -1.626 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.114 -3.456 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.055 -4.495 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.840 -0.811 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.091 -0.338 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.496 -0.884 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.801 -3.965 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.719 -3.281 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.468 -2.226 -0.668 1.00 0.00 H new ATOM 1230 N SER A 77 4.674 -1.945 -3.535 1.00 0.00 N ATOM 1231 CA SER A 77 5.735 -0.941 -3.686 1.00 0.00 C ATOM 1232 C SER A 77 6.223 -0.892 -5.139 1.00 0.00 C ATOM 1233 O SER A 77 6.421 0.191 -5.673 1.00 0.00 O ATOM 1234 CB SER A 77 6.910 -1.221 -2.718 1.00 0.00 C ATOM 1235 OG SER A 77 7.457 -2.510 -2.902 1.00 0.00 O ATOM 0 H SER A 77 4.925 -2.728 -2.931 1.00 0.00 H new ATOM 0 HA SER A 77 5.320 0.034 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.688 -0.473 -2.868 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.564 -1.119 -1.690 1.00 0.00 H new ATOM 0 HG SER A 77 6.883 -3.026 -3.506 1.00 0.00 H new ATOM 1241 N ARG A 78 6.340 -2.087 -5.781 1.00 0.00 N ATOM 1242 CA ARG A 78 6.847 -2.206 -7.161 1.00 0.00 C ATOM 1243 C ARG A 78 5.963 -1.421 -8.157 1.00 0.00 C ATOM 1244 O ARG A 78 6.483 -0.727 -9.043 1.00 0.00 O ATOM 1245 CB ARG A 78 6.960 -3.702 -7.601 1.00 0.00 C ATOM 1246 CG ARG A 78 5.612 -4.424 -7.755 1.00 0.00 C ATOM 1247 CD ARG A 78 5.732 -5.890 -8.173 1.00 0.00 C ATOM 1248 NE ARG A 78 4.395 -6.513 -8.286 1.00 0.00 N ATOM 1249 CZ ARG A 78 4.150 -7.831 -8.296 1.00 0.00 C ATOM 1250 NH1 ARG A 78 5.139 -8.705 -8.194 1.00 0.00 N ATOM 1251 NH2 ARG A 78 2.908 -8.268 -8.390 1.00 0.00 N ATOM 0 H ARG A 78 6.087 -2.979 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 78 7.846 -1.770 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.494 -3.749 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.564 -4.238 -6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.073 -4.370 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.011 -3.895 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.253 -5.959 -9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.331 -6.434 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 78 3.593 -5.888 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.101 -8.378 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.939 -9.705 -8.203 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.137 -7.603 -8.455 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.719 -9.270 -8.398 1.00 0.00 H new ATOM 1265 N THR A 79 4.618 -1.515 -7.976 1.00 0.00 N ATOM 1266 CA THR A 79 3.662 -0.870 -8.878 1.00 0.00 C ATOM 1267 C THR A 79 3.616 0.641 -8.596 1.00 0.00 C ATOM 1268 O THR A 79 3.499 1.420 -9.519 1.00 0.00 O ATOM 1269 CB THR A 79 2.214 -1.500 -8.810 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.437 -1.072 -9.942 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.439 -1.132 -7.531 1.00 0.00 C ATOM 0 H THR A 79 4.186 -2.033 -7.211 1.00 0.00 H new ATOM 0 HA THR A 79 4.016 -1.043 -9.894 1.00 0.00 H new ATOM 0 HB THR A 79 2.361 -2.580 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.604 -1.587 -9.981 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.455 -1.600 -7.555 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.988 -1.486 -6.658 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.325 -0.050 -7.473 1.00 0.00 H new ATOM 1279 N VAL A 80 3.746 1.042 -7.306 1.00 0.00 N ATOM 1280 CA VAL A 80 3.670 2.462 -6.898 1.00 0.00 C ATOM 1281 C VAL A 80 4.919 3.236 -7.364 1.00 0.00 C ATOM 1282 O VAL A 80 4.811 4.389 -7.770 1.00 0.00 O ATOM 1283 CB VAL A 80 3.476 2.618 -5.340 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.560 4.102 -4.884 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.136 1.981 -4.877 1.00 0.00 C ATOM 0 H VAL A 80 3.904 0.398 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 80 2.793 2.888 -7.384 1.00 0.00 H new ATOM 0 HB VAL A 80 4.298 2.083 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.421 4.159 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.537 4.508 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.781 4.680 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.028 2.103 -3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.305 2.473 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.133 0.919 -5.124 1.00 0.00 H new ATOM 1295 N GLU A 81 6.097 2.584 -7.302 1.00 0.00 N ATOM 1296 CA GLU A 81 7.376 3.164 -7.770 1.00 0.00 C ATOM 1297 C GLU A 81 7.342 3.386 -9.292 1.00 0.00 C ATOM 1298 O GLU A 81 7.865 4.391 -9.796 1.00 0.00 O ATOM 1299 CB GLU A 81 8.556 2.233 -7.388 1.00 0.00 C ATOM 1300 CG GLU A 81 8.802 2.118 -5.872 1.00 0.00 C ATOM 1301 CD GLU A 81 9.823 1.028 -5.502 1.00 0.00 C ATOM 1302 OE1 GLU A 81 9.475 -0.171 -5.563 1.00 0.00 O ATOM 1303 OE2 GLU A 81 10.977 1.354 -5.161 1.00 0.00 O ATOM 0 H GLU A 81 6.191 1.640 -6.926 1.00 0.00 H new ATOM 0 HA GLU A 81 7.519 4.129 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.365 1.238 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.464 2.601 -7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.153 3.078 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.857 1.905 -5.373 1.00 0.00 H new ATOM 1310 N GLN A 82 6.727 2.425 -10.005 1.00 0.00 N ATOM 1311 CA GLN A 82 6.497 2.532 -11.457 1.00 0.00 C ATOM 1312 C GLN A 82 5.518 3.682 -11.749 1.00 0.00 C ATOM 1313 O GLN A 82 5.803 4.554 -12.560 1.00 0.00 O ATOM 1314 CB GLN A 82 5.961 1.195 -12.039 1.00 0.00 C ATOM 1315 CG GLN A 82 5.628 1.230 -13.556 1.00 0.00 C ATOM 1316 CD GLN A 82 6.828 1.595 -14.449 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.978 1.285 -14.131 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.573 2.272 -15.561 1.00 0.00 N ATOM 0 H GLN A 82 6.378 1.559 -9.595 1.00 0.00 H new ATOM 0 HA GLN A 82 7.449 2.746 -11.942 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.702 0.415 -11.862 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.063 0.911 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.247 0.254 -13.857 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.828 1.951 -13.726 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.612 2.516 -15.801 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.338 2.549 -16.176 1.00 0.00 H new ATOM 1327 N LEU A 83 4.393 3.681 -11.018 1.00 0.00 N ATOM 1328 CA LEU A 83 3.320 4.694 -11.130 1.00 0.00 C ATOM 1329 C LEU A 83 3.808 6.096 -10.707 1.00 0.00 C ATOM 1330 O LEU A 83 3.225 7.101 -11.116 1.00 0.00 O ATOM 1331 CB LEU A 83 2.098 4.252 -10.260 1.00 0.00 C ATOM 1332 CG LEU A 83 0.970 3.417 -10.950 1.00 0.00 C ATOM 1333 CD1 LEU A 83 1.520 2.217 -11.749 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.079 2.966 -9.900 1.00 0.00 C ATOM 0 H LEU A 83 4.195 2.965 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 83 3.020 4.762 -12.176 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.479 3.670 -9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.642 5.150 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 83 0.483 4.065 -11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.693 1.674 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.193 2.576 -12.528 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.064 1.552 -11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.860 2.385 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.406 2.352 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.522 3.843 -9.428 1.00 0.00 H new ATOM 1346 N LYS A 84 4.859 6.141 -9.872 1.00 0.00 N ATOM 1347 CA LYS A 84 5.462 7.396 -9.400 1.00 0.00 C ATOM 1348 C LYS A 84 6.356 7.974 -10.502 1.00 0.00 C ATOM 1349 O LYS A 84 6.427 9.198 -10.683 1.00 0.00 O ATOM 1350 CB LYS A 84 6.257 7.145 -8.088 1.00 0.00 C ATOM 1351 CG LYS A 84 6.667 8.425 -7.315 1.00 0.00 C ATOM 1352 CD LYS A 84 7.089 8.131 -5.853 1.00 0.00 C ATOM 1353 CE LYS A 84 8.310 7.199 -5.747 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.533 7.834 -6.286 1.00 0.00 N ATOM 0 H LYS A 84 5.315 5.305 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 84 4.681 8.123 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.654 6.519 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.158 6.580 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.492 8.911 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.833 9.127 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.314 9.072 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.250 7.680 -5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.471 6.927 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.110 6.275 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.372 7.383 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.557 7.719 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.531 8.847 -6.050 1.00 0.00 H new ATOM 1368 N ALA A 85 7.018 7.058 -11.243 1.00 0.00 N ATOM 1369 CA ALA A 85 7.802 7.394 -12.440 1.00 0.00 C ATOM 1370 C ALA A 85 6.867 7.914 -13.552 1.00 0.00 C ATOM 1371 O ALA A 85 7.170 8.908 -14.211 1.00 0.00 O ATOM 1372 CB ALA A 85 8.594 6.166 -12.928 1.00 0.00 C ATOM 0 H ALA A 85 7.020 6.062 -11.022 1.00 0.00 H new ATOM 0 HA ALA A 85 8.514 8.179 -12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.169 6.433 -13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.273 5.835 -12.142 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.902 5.360 -13.173 1.00 0.00 H new ATOM 1378 N GLU A 86 5.705 7.243 -13.699 1.00 0.00 N ATOM 1379 CA GLU A 86 4.669 7.591 -14.692 1.00 0.00 C ATOM 1380 C GLU A 86 4.026 8.947 -14.363 1.00 0.00 C ATOM 1381 O GLU A 86 3.759 9.737 -15.260 1.00 0.00 O ATOM 1382 CB GLU A 86 3.587 6.475 -14.749 1.00 0.00 C ATOM 1383 CG GLU A 86 4.129 5.087 -15.148 1.00 0.00 C ATOM 1384 CD GLU A 86 4.745 5.063 -16.556 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.980 4.977 -17.543 1.00 0.00 O ATOM 1386 OE2 GLU A 86 5.994 5.134 -16.688 1.00 0.00 O ATOM 0 H GLU A 86 5.458 6.436 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 86 5.144 7.672 -15.670 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.108 6.399 -13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.815 6.769 -15.460 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.881 4.775 -14.423 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.319 4.359 -15.100 1.00 0.00 H new ATOM 1393 N SER A 87 3.798 9.204 -13.059 1.00 0.00 N ATOM 1394 CA SER A 87 3.245 10.487 -12.573 1.00 0.00 C ATOM 1395 C SER A 87 4.281 11.638 -12.706 1.00 0.00 C ATOM 1396 O SER A 87 3.913 12.819 -12.672 1.00 0.00 O ATOM 1397 CB SER A 87 2.766 10.335 -11.103 1.00 0.00 C ATOM 1398 OG SER A 87 2.119 11.510 -10.635 1.00 0.00 O ATOM 0 H SER A 87 3.990 8.533 -12.316 1.00 0.00 H new ATOM 0 HA SER A 87 2.389 10.750 -13.195 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.082 9.489 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.620 10.111 -10.464 1.00 0.00 H new ATOM 0 HG SER A 87 1.830 11.377 -9.708 1.00 0.00 H new ATOM 1404 N ALA A 88 5.579 11.275 -12.829 1.00 0.00 N ATOM 1405 CA ALA A 88 6.672 12.230 -13.110 1.00 0.00 C ATOM 1406 C ALA A 88 6.714 12.566 -14.616 1.00 0.00 C ATOM 1407 O ALA A 88 7.012 13.701 -15.003 1.00 0.00 O ATOM 1408 CB ALA A 88 8.021 11.654 -12.635 1.00 0.00 C ATOM 0 H ALA A 88 5.896 10.310 -12.736 1.00 0.00 H new ATOM 0 HA ALA A 88 6.485 13.153 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.817 12.368 -12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.979 11.467 -11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.222 10.719 -13.159 1.00 0.00 H new ATOM 1414 N LEU A 89 6.402 11.554 -15.452 1.00 0.00 N ATOM 1415 CA LEU A 89 6.354 11.686 -16.928 1.00 0.00 C ATOM 1416 C LEU A 89 5.039 12.348 -17.392 1.00 0.00 C ATOM 1417 O LEU A 89 4.992 12.995 -18.447 1.00 0.00 O ATOM 1418 CB LEU A 89 6.510 10.283 -17.582 1.00 0.00 C ATOM 1419 CG LEU A 89 7.836 9.529 -17.255 1.00 0.00 C ATOM 1420 CD1 LEU A 89 7.857 8.112 -17.871 1.00 0.00 C ATOM 1421 CD2 LEU A 89 9.079 10.359 -17.668 1.00 0.00 C ATOM 0 H LEU A 89 6.175 10.616 -15.123 1.00 0.00 H new ATOM 0 HA LEU A 89 7.177 12.329 -17.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.672 9.660 -17.268 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.435 10.396 -18.664 1.00 0.00 H new ATOM 0 HG LEU A 89 7.879 9.403 -16.173 1.00 0.00 H new ATOM 0 HD11 LEU A 89 8.797 7.620 -17.620 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.026 7.530 -17.473 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.763 8.185 -18.955 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.985 9.803 -17.425 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.048 10.552 -18.740 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.079 11.306 -17.129 1.00 0.00 H new ATOM 1433 N GLU A 90 3.977 12.179 -16.586 1.00 0.00 N ATOM 1434 CA GLU A 90 2.615 12.643 -16.902 1.00 0.00 C ATOM 1435 C GLU A 90 2.171 13.622 -15.795 1.00 0.00 C ATOM 1436 CB GLU A 90 1.657 11.414 -17.013 1.00 0.00 C ATOM 1437 CG GLU A 90 2.101 10.365 -18.055 1.00 0.00 C ATOM 1438 CD GLU A 90 1.248 9.088 -18.046 1.00 0.00 C ATOM 1439 OE1 GLU A 90 1.343 8.312 -17.072 1.00 0.00 O ATOM 1440 OE2 GLU A 90 0.479 8.850 -19.010 1.00 0.00 O ATOM 0 H GLU A 90 4.042 11.709 -15.683 1.00 0.00 H new ATOM 0 HA GLU A 90 2.589 13.163 -17.860 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.584 10.934 -16.037 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.658 11.767 -17.270 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.060 10.812 -19.048 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.141 10.098 -17.869 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -13.681 -1.662 -4.010 1.00 14.43 P HETATM 1449 O25 PNS A 101 -14.611 -0.752 -4.734 1.00 74.32 O HETATM 1450 O26 PNS A 101 -12.361 -1.077 -3.676 1.00 52.12 O HETATM 1451 O27 PNS A 101 -13.476 -2.994 -4.856 1.00 51.25 O HETATM 1452 C28 PNS A 101 -12.160 -3.541 -4.970 1.00 74.14 C HETATM 1453 C29 PNS A 101 -12.181 -5.054 -5.175 1.00 11.31 C HETATM 1454 C30 PNS A 101 -12.868 -5.705 -3.970 1.00 32.13 C HETATM 1455 C31 PNS A 101 -10.743 -5.571 -5.259 1.00 42.41 C HETATM 1456 C32 PNS A 101 -12.940 -5.405 -6.465 1.00 11.23 C HETATM 1457 O33 PNS A 101 -12.323 -4.747 -7.596 1.00 5.23 O HETATM 1458 C34 PNS A 101 -12.936 -6.938 -6.716 1.00 23.25 C HETATM 1459 O35 PNS A 101 -12.079 -7.447 -7.437 1.00 72.10 O HETATM 1460 N36 PNS A 101 -13.893 -7.673 -6.121 1.00 52.02 N HETATM 1461 C37 PNS A 101 -14.011 -9.146 -6.229 1.00 61.21 C HETATM 1462 C38 PNS A 101 -13.918 -9.811 -4.840 1.00 51.41 C HETATM 1463 C39 PNS A 101 -12.614 -9.472 -4.086 1.00 25.15 C HETATM 1464 O40 PNS A 101 -12.635 -9.272 -2.864 1.00 21.05 O HETATM 1465 N41 PNS A 101 -11.477 -9.400 -4.811 1.00 4.31 N HETATM 1466 C42 PNS A 101 -10.149 -9.062 -4.262 1.00 61.11 C HETATM 1467 C43 PNS A 101 -9.016 -9.380 -5.243 1.00 14.44 C HETATM 1468 S44 PNS A 101 -9.256 -8.501 -6.804 1.00 75.34 S HETATM 0 H432 PNS A 101 -8.059 -9.098 -4.805 1.00 14.44 H new HETATM 0 H431 PNS A 101 -8.978 -10.454 -5.427 1.00 14.44 H new HETATM 0 H422 PNS A 101 -9.990 -9.614 -3.336 1.00 61.11 H new HETATM 0 H421 PNS A 101 -10.122 -8.002 -4.010 1.00 61.11 H new HETATM 0 H382 PNS A 101 -13.991 -10.892 -4.957 1.00 51.41 H new HETATM 0 H381 PNS A 101 -14.770 -9.497 -4.237 1.00 51.41 H new HETATM 0 H372 PNS A 101 -13.222 -9.531 -6.874 1.00 61.21 H new HETATM 0 H371 PNS A 101 -14.961 -9.405 -6.697 1.00 61.21 H new HETATM 0 H313 PNS A 101 -10.753 -6.651 -5.405 1.00 42.41 H new HETATM 0 H312 PNS A 101 -10.217 -5.335 -4.334 1.00 42.41 H new HETATM 0 H311 PNS A 101 -10.234 -5.096 -6.097 1.00 42.41 H new HETATM 0 H303 PNS A 101 -12.890 -6.787 -4.104 1.00 32.13 H new HETATM 0 H302 PNS A 101 -13.888 -5.329 -3.886 1.00 32.13 H new HETATM 0 H301 PNS A 101 -12.316 -5.463 -3.062 1.00 32.13 H new HETATM 0 H282 PNS A 101 -11.591 -3.306 -4.070 1.00 74.14 H new HETATM 0 H281 PNS A 101 -11.644 -3.070 -5.806 1.00 74.14 H new HETATM 0 H44 PNS A 101 -10.507 -8.168 -6.927 1.00 75.34 H new HETATM 0 H41 PNS A 101 -11.540 -9.593 -5.811 1.00 4.31 H new HETATM 0 H36 PNS A 101 -14.586 -7.182 -5.556 1.00 52.02 H new HETATM 0 H33 PNS A 101 -11.871 -5.413 -8.155 1.00 5.23 H new HETATM 0 H32 PNS A 101 -13.969 -5.066 -6.349 1.00 11.23 H new