USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 831 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 67 TYR OH : rot 152:sc= 0.34 USER MOD Set 1.2: A 71 HIS : no HD1:sc= -2.43 K(o=-2.1,f=-4.1!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14! C(o=-19!,f=-31!) USER MOD Set 2.2: A 31 ASN : amide:sc= -5.05! C(o=-19!,f=-27!) USER MOD Set 3.1: A 2 SER OG : rot 120:sc= -2.25 USER MOD Set 3.2: A 5 LYS NZ :NH3+ -175:sc= -1.24 (180deg=-1.31) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ -149:sc= 1.27 (180deg=0.326) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -101:sc= 0.509 USER MOD Single : A 14 CYS SG : rot -170:sc= -1.17 USER MOD Single : A 16 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.3) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.59 USER MOD Single : A 18 HIS : no HD1:sc= 0.0028 K(o=0.0028,f=-0.68) USER MOD Single : A 19 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00188) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-4.5!) USER MOD Single : A 39 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-1.6) USER MOD Single : A 40 SER OG : rot 55:sc= -0.185! USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -39:sc= 1.37 USER MOD Single : A 48 TYR OH : rot -24:sc= -2.85! USER MOD Single : A 49 THR OG1 : rot 120:sc= -2.49! USER MOD Single : A 52 ASN : amide:sc= -3.28 K(o=-3.3,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.21! C(o=-2.2!,f=-7.4!) USER MOD Single : A 62 ASN : amide:sc= -0.0444 K(o=-0.044,f=-1.9!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 151:sc= -0.192 (180deg=-1.2) USER MOD Single : A 65 SER OG : rot 72:sc= 0.725 USER MOD Single : A 69 THR OG1 : rot 96:sc= -2.27! USER MOD Single : A 70 ASN : amide:sc= -2.06! C(o=-2.1!,f=-7.1!) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc=-0.00564 (180deg=-0.208) USER MOD Single : A 74 TYR OH : rot 30:sc= -3.73! USER MOD Single : A 78 THR OG1 : rot 56:sc= -0.736 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -147:sc= -0.295 (180deg=-1.55!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0589) USER MOD Single : A 92 ASN : amide:sc= -1 K(o=-1,f=-2.5!) USER MOD Single : A 96 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.212 8.116 3.597 1.00 0.00 N ATOM 33 CA PHE A -3 -12.015 8.221 4.476 1.00 0.00 C ATOM 34 C PHE A -3 -11.575 9.685 4.565 1.00 0.00 C ATOM 35 O PHE A -3 -11.955 10.507 3.755 1.00 0.00 O ATOM 36 CB PHE A -3 -10.879 7.375 3.896 1.00 0.00 C ATOM 37 CG PHE A -3 -10.464 7.933 2.556 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.163 7.568 1.398 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.379 8.813 2.470 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.776 8.084 0.156 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.993 9.330 1.227 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.692 8.965 0.070 1.00 0.00 C ATOM 0 H1 PHE A -3 -13.809 7.326 3.916 1.00 0.00 H new ATOM 0 H2 PHE A -3 -13.755 9.001 3.643 1.00 0.00 H new ATOM 0 H3 PHE A -3 -12.909 7.947 2.617 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.262 7.857 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.029 7.372 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.203 6.340 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -12.000 6.889 1.464 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.839 9.093 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -11.314 7.802 -0.737 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.157 10.010 1.161 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.395 9.363 -0.889 1.00 0.00 H new ATOM 52 N LYS A -2 -10.778 10.017 5.545 1.00 0.00 N ATOM 53 CA LYS A -2 -10.321 11.428 5.686 1.00 0.00 C ATOM 54 C LYS A -2 -9.083 11.650 4.814 1.00 0.00 C ATOM 55 O LYS A -2 -8.206 10.813 4.740 1.00 0.00 O ATOM 56 CB LYS A -2 -9.967 11.706 7.148 1.00 0.00 C ATOM 57 CG LYS A -2 -11.152 11.347 8.050 1.00 0.00 C ATOM 58 CD LYS A -2 -12.327 12.289 7.772 1.00 0.00 C ATOM 59 CE LYS A -2 -13.342 12.185 8.912 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.416 13.199 8.714 1.00 0.00 N ATOM 0 H LYS A -2 -10.425 9.373 6.252 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.118 12.102 5.370 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -9.091 11.125 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.708 12.757 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -11.454 10.314 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -10.857 11.419 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.971 13.315 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.800 12.029 6.825 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.773 11.184 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.847 12.346 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -15.107 13.129 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.998 14.151 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -14.894 13.025 7.807 1.00 0.00 H new ATOM 74 N ALA A -1 -9.008 12.775 4.153 1.00 0.00 N ATOM 75 CA ALA A -1 -7.833 13.059 3.283 1.00 0.00 C ATOM 76 C ALA A -1 -7.015 14.205 3.881 1.00 0.00 C ATOM 77 O ALA A -1 -6.911 14.346 5.083 1.00 0.00 O ATOM 78 CB ALA A -1 -8.320 13.457 1.889 1.00 0.00 C ATOM 0 H ALA A -1 -9.714 13.511 4.180 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.210 12.168 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.462 13.666 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.902 12.641 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.943 14.348 1.962 1.00 0.00 H new ATOM 84 N GLY A 1 -6.434 15.025 3.050 1.00 0.00 N ATOM 85 CA GLY A 1 -5.621 16.163 3.566 1.00 0.00 C ATOM 86 C GLY A 1 -4.884 16.832 2.405 1.00 0.00 C ATOM 87 O GLY A 1 -5.231 17.916 1.979 1.00 0.00 O ATOM 0 H GLY A 1 -6.487 14.956 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.265 16.886 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.906 15.806 4.307 1.00 0.00 H new ATOM 91 N SER A 2 -3.871 16.193 1.886 1.00 0.00 N ATOM 92 CA SER A 2 -3.116 16.785 0.751 1.00 0.00 C ATOM 93 C SER A 2 -2.464 15.659 -0.052 1.00 0.00 C ATOM 94 O SER A 2 -1.650 14.912 0.456 1.00 0.00 O ATOM 95 CB SER A 2 -2.041 17.722 1.295 1.00 0.00 C ATOM 96 OG SER A 2 -1.597 18.585 0.258 1.00 0.00 O ATOM 0 H SER A 2 -3.535 15.283 2.202 1.00 0.00 H new ATOM 0 HA SER A 2 -3.790 17.349 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.439 18.307 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.203 17.144 1.686 1.00 0.00 H new ATOM 0 HG SER A 2 -1.766 19.516 0.512 1.00 0.00 H new ATOM 102 N ALA A 3 -2.819 15.524 -1.298 1.00 0.00 N ATOM 103 CA ALA A 3 -2.229 14.439 -2.132 1.00 0.00 C ATOM 104 C ALA A 3 -0.739 14.702 -2.362 1.00 0.00 C ATOM 105 O ALA A 3 0.056 13.787 -2.449 1.00 0.00 O ATOM 106 CB ALA A 3 -2.952 14.387 -3.477 1.00 0.00 C ATOM 0 H ALA A 3 -3.494 16.120 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.344 13.487 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.523 13.594 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.011 14.187 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.838 15.343 -3.988 1.00 0.00 H new ATOM 112 N LYS A 4 -0.354 15.942 -2.472 1.00 0.00 N ATOM 113 CA LYS A 4 1.083 16.257 -2.709 1.00 0.00 C ATOM 114 C LYS A 4 1.929 15.746 -1.538 1.00 0.00 C ATOM 115 O LYS A 4 2.996 15.198 -1.729 1.00 0.00 O ATOM 116 CB LYS A 4 1.257 17.772 -2.852 1.00 0.00 C ATOM 117 CG LYS A 4 0.563 18.484 -1.686 1.00 0.00 C ATOM 118 CD LYS A 4 -0.486 19.465 -2.220 1.00 0.00 C ATOM 119 CE LYS A 4 -1.714 18.689 -2.702 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.801 19.646 -3.054 1.00 0.00 N ATOM 0 H LYS A 4 -0.971 16.751 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 4 1.413 15.767 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.317 18.026 -2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.835 18.108 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.089 17.752 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.299 19.018 -1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.772 20.169 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.068 20.050 -3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.456 18.081 -3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.054 18.006 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.635 19.119 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.054 20.208 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.474 20.280 -3.810 1.00 0.00 H new ATOM 134 N LYS A 5 1.466 15.916 -0.329 1.00 0.00 N ATOM 135 CA LYS A 5 2.248 15.434 0.841 1.00 0.00 C ATOM 136 C LYS A 5 2.398 13.914 0.771 1.00 0.00 C ATOM 137 O LYS A 5 3.431 13.367 1.102 1.00 0.00 O ATOM 138 CB LYS A 5 1.521 15.822 2.125 1.00 0.00 C ATOM 139 CG LYS A 5 1.518 17.346 2.269 1.00 0.00 C ATOM 140 CD LYS A 5 0.872 17.732 3.601 1.00 0.00 C ATOM 141 CE LYS A 5 0.759 19.255 3.691 1.00 0.00 C ATOM 142 NZ LYS A 5 -0.397 19.716 2.870 1.00 0.00 N ATOM 0 H LYS A 5 0.580 16.368 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 5 3.238 15.889 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 5 0.498 15.446 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.011 15.366 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.538 17.728 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.970 17.799 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.115 17.278 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.468 17.351 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.626 19.560 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.679 19.720 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.424 20.756 2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.294 19.364 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.281 19.350 3.278 1.00 0.00 H new ATOM 156 N GLY A 6 1.375 13.228 0.343 1.00 0.00 N ATOM 157 CA GLY A 6 1.459 11.742 0.252 1.00 0.00 C ATOM 158 C GLY A 6 2.604 11.353 -0.681 1.00 0.00 C ATOM 159 O GLY A 6 3.313 10.395 -0.444 1.00 0.00 O ATOM 0 H GLY A 6 0.484 13.631 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.621 11.315 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.518 11.336 -0.120 1.00 0.00 H new ATOM 163 N ALA A 7 2.792 12.088 -1.741 1.00 0.00 N ATOM 164 CA ALA A 7 3.893 11.758 -2.684 1.00 0.00 C ATOM 165 C ALA A 7 5.231 11.895 -1.960 1.00 0.00 C ATOM 166 O ALA A 7 6.138 11.112 -2.155 1.00 0.00 O ATOM 167 CB ALA A 7 3.853 12.718 -3.874 1.00 0.00 C ATOM 0 H ALA A 7 2.231 12.902 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 7 3.774 10.736 -3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.661 12.475 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.896 12.622 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.974 13.742 -3.520 1.00 0.00 H new ATOM 173 N THR A 8 5.358 12.886 -1.121 1.00 0.00 N ATOM 174 CA THR A 8 6.628 13.075 -0.382 1.00 0.00 C ATOM 175 C THR A 8 6.891 11.858 0.505 1.00 0.00 C ATOM 176 O THR A 8 7.994 11.354 0.577 1.00 0.00 O ATOM 177 CB THR A 8 6.514 14.325 0.486 1.00 0.00 C ATOM 178 OG1 THR A 8 6.106 15.423 -0.318 1.00 0.00 O ATOM 179 CG2 THR A 8 7.868 14.628 1.117 1.00 0.00 C ATOM 0 H THR A 8 4.632 13.573 -0.918 1.00 0.00 H new ATOM 0 HA THR A 8 7.452 13.188 -1.087 1.00 0.00 H new ATOM 0 HB THR A 8 5.777 14.159 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.031 16.226 0.239 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.789 15.521 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.179 13.784 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.606 14.796 0.332 1.00 0.00 H new ATOM 187 N LEU A 9 5.886 11.382 1.183 1.00 0.00 N ATOM 188 CA LEU A 9 6.076 10.200 2.065 1.00 0.00 C ATOM 189 C LEU A 9 6.369 8.962 1.217 1.00 0.00 C ATOM 190 O LEU A 9 7.220 8.156 1.543 1.00 0.00 O ATOM 191 CB LEU A 9 4.800 9.971 2.873 1.00 0.00 C ATOM 192 CG LEU A 9 5.047 8.878 3.912 1.00 0.00 C ATOM 193 CD1 LEU A 9 6.038 9.385 4.962 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.725 8.522 4.591 1.00 0.00 C ATOM 0 H LEU A 9 4.939 11.762 1.164 1.00 0.00 H new ATOM 0 HA LEU A 9 6.915 10.379 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.498 10.895 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.984 9.681 2.211 1.00 0.00 H new ATOM 0 HG LEU A 9 5.458 7.995 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.214 8.605 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.980 9.645 4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.627 10.267 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.896 7.742 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.318 9.407 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.017 8.163 3.844 1.00 0.00 H new ATOM 206 N PHE A 10 5.664 8.801 0.134 1.00 0.00 N ATOM 207 CA PHE A 10 5.891 7.612 -0.731 1.00 0.00 C ATOM 208 C PHE A 10 7.308 7.618 -1.297 1.00 0.00 C ATOM 209 O PHE A 10 8.014 6.630 -1.238 1.00 0.00 O ATOM 210 CB PHE A 10 4.902 7.619 -1.895 1.00 0.00 C ATOM 211 CG PHE A 10 5.257 6.494 -2.838 1.00 0.00 C ATOM 212 CD1 PHE A 10 6.276 6.676 -3.784 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.586 5.269 -2.759 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.619 5.635 -4.652 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.932 4.226 -3.628 1.00 0.00 C ATOM 216 CZ PHE A 10 5.950 4.410 -4.574 1.00 0.00 C ATOM 0 H PHE A 10 4.940 9.442 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 10 5.749 6.720 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.884 7.496 -1.526 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.939 8.575 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.796 7.621 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.802 5.128 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.401 5.777 -5.383 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.414 3.280 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.218 3.605 -5.243 1.00 0.00 H new ATOM 226 N LYS A 11 7.724 8.713 -1.869 1.00 0.00 N ATOM 227 CA LYS A 11 9.081 8.765 -2.466 1.00 0.00 C ATOM 228 C LYS A 11 10.152 8.693 -1.376 1.00 0.00 C ATOM 229 O LYS A 11 11.289 8.353 -1.638 1.00 0.00 O ATOM 230 CB LYS A 11 9.235 10.061 -3.265 1.00 0.00 C ATOM 231 CG LYS A 11 9.284 11.255 -2.312 1.00 0.00 C ATOM 232 CD LYS A 11 9.283 12.553 -3.121 1.00 0.00 C ATOM 233 CE LYS A 11 9.659 13.724 -2.212 1.00 0.00 C ATOM 234 NZ LYS A 11 10.982 14.270 -2.626 1.00 0.00 N ATOM 0 H LYS A 11 7.181 9.573 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 11 9.209 7.909 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.145 10.024 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.402 10.172 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.427 11.232 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.178 11.202 -1.691 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.990 12.479 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.299 12.720 -3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.898 14.502 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.699 13.394 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.238 15.066 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.704 13.526 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.929 14.600 -3.611 1.00 0.00 H new ATOM 248 N THR A 12 9.813 9.020 -0.162 1.00 0.00 N ATOM 249 CA THR A 12 10.828 8.978 0.923 1.00 0.00 C ATOM 250 C THR A 12 10.715 7.679 1.727 1.00 0.00 C ATOM 251 O THR A 12 11.414 7.495 2.703 1.00 0.00 O ATOM 252 CB THR A 12 10.614 10.169 1.859 1.00 0.00 C ATOM 253 OG1 THR A 12 9.245 10.234 2.234 1.00 0.00 O ATOM 254 CG2 THR A 12 11.021 11.468 1.158 1.00 0.00 C ATOM 0 H THR A 12 8.879 9.314 0.125 1.00 0.00 H new ATOM 0 HA THR A 12 11.820 9.024 0.473 1.00 0.00 H new ATOM 0 HB THR A 12 11.230 10.041 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.795 10.928 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.865 12.310 1.833 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.074 11.417 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.415 11.604 0.262 1.00 0.00 H new ATOM 262 N ARG A 13 9.845 6.774 1.354 1.00 0.00 N ATOM 263 CA ARG A 13 9.734 5.518 2.153 1.00 0.00 C ATOM 264 C ARG A 13 9.360 4.309 1.283 1.00 0.00 C ATOM 265 O ARG A 13 10.101 3.351 1.196 1.00 0.00 O ATOM 266 CB ARG A 13 8.666 5.698 3.231 1.00 0.00 C ATOM 267 CG ARG A 13 9.108 6.780 4.218 1.00 0.00 C ATOM 268 CD ARG A 13 8.121 6.839 5.385 1.00 0.00 C ATOM 269 NE ARG A 13 8.408 8.041 6.217 1.00 0.00 N ATOM 270 CZ ARG A 13 8.039 8.071 7.469 1.00 0.00 C ATOM 271 NH1 ARG A 13 7.418 7.049 7.991 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.292 9.124 8.198 1.00 0.00 N ATOM 0 H ARG A 13 9.221 6.847 0.550 1.00 0.00 H new ATOM 0 HA ARG A 13 10.710 5.325 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.716 5.975 2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.504 4.757 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.111 6.564 4.586 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.154 7.747 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.099 6.879 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.203 5.936 5.990 1.00 0.00 H new ATOM 0 HE ARG A 13 8.893 8.840 5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.221 6.227 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.130 7.073 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.778 9.923 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.004 9.148 9.176 1.00 0.00 H new ATOM 286 N CYS A 14 8.206 4.322 0.674 1.00 0.00 N ATOM 287 CA CYS A 14 7.787 3.141 -0.142 1.00 0.00 C ATOM 288 C CYS A 14 8.705 2.961 -1.358 1.00 0.00 C ATOM 289 O CYS A 14 8.912 1.858 -1.823 1.00 0.00 O ATOM 290 CB CYS A 14 6.340 3.313 -0.611 1.00 0.00 C ATOM 291 SG CYS A 14 5.362 4.257 0.602 1.00 0.00 S ATOM 0 H CYS A 14 7.538 5.092 0.704 1.00 0.00 H new ATOM 0 HA CYS A 14 7.863 2.252 0.485 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.325 3.826 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.886 2.334 -0.765 1.00 0.00 H new ATOM 0 HG CYS A 14 4.104 4.205 0.279 1.00 0.00 H new ATOM 296 N LEU A 15 9.253 4.020 -1.882 1.00 0.00 N ATOM 297 CA LEU A 15 10.146 3.880 -3.071 1.00 0.00 C ATOM 298 C LEU A 15 11.273 2.892 -2.768 1.00 0.00 C ATOM 299 O LEU A 15 11.724 2.167 -3.632 1.00 0.00 O ATOM 300 CB LEU A 15 10.742 5.241 -3.431 1.00 0.00 C ATOM 301 CG LEU A 15 11.650 5.108 -4.658 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.817 4.694 -5.873 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.318 6.456 -4.941 1.00 0.00 C ATOM 0 H LEU A 15 9.124 4.973 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 15 9.560 3.506 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.943 5.954 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.311 5.632 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 15 12.411 4.352 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.466 4.600 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.335 3.737 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.056 5.450 -6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.965 6.365 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.553 7.208 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.913 6.756 -4.078 1.00 0.00 H new ATOM 315 N GLN A 16 11.746 2.866 -1.554 1.00 0.00 N ATOM 316 CA GLN A 16 12.857 1.936 -1.209 1.00 0.00 C ATOM 317 C GLN A 16 12.467 0.491 -1.543 1.00 0.00 C ATOM 318 O GLN A 16 13.294 -0.293 -1.966 1.00 0.00 O ATOM 319 CB GLN A 16 13.161 2.044 0.287 1.00 0.00 C ATOM 320 CG GLN A 16 13.610 3.470 0.617 1.00 0.00 C ATOM 321 CD GLN A 16 14.886 3.800 -0.160 1.00 0.00 C ATOM 322 OE1 GLN A 16 15.835 3.042 -0.141 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.949 4.907 -0.847 1.00 0.00 N ATOM 0 H GLN A 16 11.412 3.448 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 16 13.738 2.208 -1.790 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.275 1.787 0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.940 1.333 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.822 4.178 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.789 3.567 1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.152 5.543 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.795 5.136 -1.368 1.00 0.00 H new ATOM 332 N CYS A 17 11.225 0.127 -1.347 1.00 0.00 N ATOM 333 CA CYS A 17 10.805 -1.278 -1.645 1.00 0.00 C ATOM 334 C CYS A 17 9.811 -1.313 -2.812 1.00 0.00 C ATOM 335 O CYS A 17 9.928 -2.123 -3.710 1.00 0.00 O ATOM 336 CB CYS A 17 10.147 -1.881 -0.405 1.00 0.00 C ATOM 337 SG CYS A 17 11.355 -1.958 0.948 1.00 0.00 S ATOM 0 H CYS A 17 10.487 0.737 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 17 11.688 -1.855 -1.921 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.289 -1.278 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.772 -2.880 -0.629 1.00 0.00 H new ATOM 0 HG CYS A 17 10.793 -2.469 2.003 1.00 0.00 H new ATOM 342 N HIS A 18 8.828 -0.456 -2.802 1.00 0.00 N ATOM 343 CA HIS A 18 7.825 -0.464 -3.911 1.00 0.00 C ATOM 344 C HIS A 18 8.245 0.521 -5.000 1.00 0.00 C ATOM 345 O HIS A 18 8.668 1.621 -4.720 1.00 0.00 O ATOM 346 CB HIS A 18 6.457 -0.030 -3.382 1.00 0.00 C ATOM 347 CG HIS A 18 5.969 -0.982 -2.328 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.507 -2.259 -2.629 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.820 -0.839 -0.973 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.097 -2.824 -1.475 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.268 -1.995 -0.446 1.00 0.00 N ATOM 0 H HIS A 18 8.674 0.247 -2.079 1.00 0.00 H new ATOM 0 HA HIS A 18 7.769 -1.474 -4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.524 0.976 -2.968 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.740 0.011 -4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.091 0.038 -0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.684 -3.819 -1.395 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.039 -2.175 0.531 1.00 0.00 H new ATOM 359 N THR A 19 8.111 0.142 -6.241 1.00 0.00 N ATOM 360 CA THR A 19 8.482 1.066 -7.348 1.00 0.00 C ATOM 361 C THR A 19 7.210 1.567 -8.030 1.00 0.00 C ATOM 362 O THR A 19 7.238 2.477 -8.836 1.00 0.00 O ATOM 363 CB THR A 19 9.332 0.323 -8.371 1.00 0.00 C ATOM 364 OG1 THR A 19 10.280 -0.495 -7.697 1.00 0.00 O ATOM 365 CG2 THR A 19 10.062 1.333 -9.258 1.00 0.00 C ATOM 0 H THR A 19 7.760 -0.769 -6.536 1.00 0.00 H new ATOM 0 HA THR A 19 9.046 1.907 -6.945 1.00 0.00 H new ATOM 0 HB THR A 19 8.690 -0.304 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.926 -0.849 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.670 0.802 -9.990 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.333 1.956 -9.776 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.704 1.962 -8.641 1.00 0.00 H new ATOM 373 N VAL A 20 6.092 0.975 -7.714 1.00 0.00 N ATOM 374 CA VAL A 20 4.813 1.404 -8.342 1.00 0.00 C ATOM 375 C VAL A 20 4.980 1.465 -9.861 1.00 0.00 C ATOM 376 O VAL A 20 4.111 1.923 -10.575 1.00 0.00 O ATOM 377 CB VAL A 20 4.418 2.777 -7.802 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.254 3.342 -8.617 1.00 0.00 C ATOM 379 CG2 VAL A 20 3.990 2.624 -6.345 1.00 0.00 C ATOM 0 H VAL A 20 6.010 0.209 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 20 4.029 0.686 -8.102 1.00 0.00 H new ATOM 0 HB VAL A 20 5.265 3.459 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.978 4.321 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.554 3.439 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.400 2.669 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.705 3.597 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.140 1.944 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.819 2.221 -5.763 1.00 0.00 H new ATOM 389 N GLU A 21 6.087 0.993 -10.361 1.00 0.00 N ATOM 390 CA GLU A 21 6.303 1.011 -11.833 1.00 0.00 C ATOM 391 C GLU A 21 5.805 -0.312 -12.417 1.00 0.00 C ATOM 392 O GLU A 21 5.995 -1.363 -11.837 1.00 0.00 O ATOM 393 CB GLU A 21 7.794 1.176 -12.132 1.00 0.00 C ATOM 394 CG GLU A 21 7.998 1.336 -13.640 1.00 0.00 C ATOM 395 CD GLU A 21 9.495 1.397 -13.949 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.277 1.293 -13.018 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.834 1.549 -15.111 1.00 0.00 O ATOM 0 H GLU A 21 6.851 0.596 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 21 5.758 1.843 -12.279 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.187 2.047 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.346 0.309 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.540 0.501 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.506 2.244 -13.990 1.00 0.00 H new ATOM 404 N LYS A 22 5.165 -0.274 -13.551 1.00 0.00 N ATOM 405 CA LYS A 22 4.657 -1.540 -14.149 1.00 0.00 C ATOM 406 C LYS A 22 5.835 -2.471 -14.432 1.00 0.00 C ATOM 407 O LYS A 22 6.738 -2.140 -15.174 1.00 0.00 O ATOM 408 CB LYS A 22 3.925 -1.230 -15.456 1.00 0.00 C ATOM 409 CG LYS A 22 3.234 -2.496 -15.968 1.00 0.00 C ATOM 410 CD LYS A 22 2.556 -2.202 -17.307 1.00 0.00 C ATOM 411 CE LYS A 22 1.742 -3.420 -17.746 1.00 0.00 C ATOM 412 NZ LYS A 22 2.659 -4.459 -18.294 1.00 0.00 N ATOM 0 H LYS A 22 4.972 0.572 -14.087 1.00 0.00 H new ATOM 0 HA LYS A 22 3.968 -2.022 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.190 -0.442 -15.295 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.630 -0.861 -16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.962 -3.298 -16.086 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.496 -2.839 -15.243 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.906 -1.332 -17.214 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.306 -1.961 -18.061 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.184 -3.822 -16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.011 -3.130 -18.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.104 -5.281 -18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.185 -4.067 -19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.329 -4.755 -17.556 1.00 0.00 H new ATOM 426 N GLY A 23 5.834 -3.636 -13.844 1.00 0.00 N ATOM 427 CA GLY A 23 6.958 -4.586 -14.080 1.00 0.00 C ATOM 428 C GLY A 23 8.194 -4.111 -13.316 1.00 0.00 C ATOM 429 O GLY A 23 9.308 -4.213 -13.791 1.00 0.00 O ATOM 0 H GLY A 23 5.106 -3.970 -13.212 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.677 -5.587 -13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.178 -4.649 -15.146 1.00 0.00 H new ATOM 433 N GLY A 24 8.006 -3.587 -12.136 1.00 0.00 N ATOM 434 CA GLY A 24 9.169 -3.098 -11.343 1.00 0.00 C ATOM 435 C GLY A 24 10.140 -4.256 -11.083 1.00 0.00 C ATOM 436 O GLY A 24 9.762 -5.410 -11.105 1.00 0.00 O ATOM 0 H GLY A 24 7.097 -3.476 -11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.678 -2.298 -11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.826 -2.679 -10.397 1.00 0.00 H new ATOM 440 N PRO A 25 11.388 -3.942 -10.846 1.00 0.00 N ATOM 441 CA PRO A 25 12.449 -4.963 -10.587 1.00 0.00 C ATOM 442 C PRO A 25 12.238 -5.734 -9.278 1.00 0.00 C ATOM 443 O PRO A 25 12.819 -6.781 -9.072 1.00 0.00 O ATOM 444 CB PRO A 25 13.744 -4.146 -10.518 1.00 0.00 C ATOM 445 CG PRO A 25 13.322 -2.748 -10.208 1.00 0.00 C ATOM 446 CD PRO A 25 11.924 -2.573 -10.797 1.00 0.00 C ATOM 0 HA PRO A 25 12.452 -5.727 -11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.411 -4.534 -9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.287 -4.191 -11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.313 -2.576 -9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.017 -2.029 -10.640 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.307 -1.924 -10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.962 -2.123 -11.789 1.00 0.00 H new ATOM 454 N HIS A 26 11.428 -5.225 -8.387 1.00 0.00 N ATOM 455 CA HIS A 26 11.205 -5.939 -7.093 1.00 0.00 C ATOM 456 C HIS A 26 12.556 -6.152 -6.400 1.00 0.00 C ATOM 457 O HIS A 26 12.860 -7.233 -5.938 1.00 0.00 O ATOM 458 CB HIS A 26 10.560 -7.305 -7.353 1.00 0.00 C ATOM 459 CG HIS A 26 9.310 -7.139 -8.163 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.171 -6.528 -7.660 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.003 -7.522 -9.436 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.235 -6.565 -8.628 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.694 -7.160 -9.730 1.00 0.00 N ATOM 0 H HIS A 26 10.914 -4.351 -8.497 1.00 0.00 H new ATOM 0 HA HIS A 26 10.546 -5.342 -6.462 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.261 -7.952 -7.880 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.327 -7.792 -6.406 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.062 -6.125 -6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.675 -8.029 -10.112 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.238 -6.163 -8.525 1.00 0.00 H new ATOM 472 N LYS A 27 13.375 -5.136 -6.341 1.00 0.00 N ATOM 473 CA LYS A 27 14.711 -5.295 -5.697 1.00 0.00 C ATOM 474 C LYS A 27 14.554 -5.797 -4.258 1.00 0.00 C ATOM 475 O LYS A 27 15.213 -6.731 -3.845 1.00 0.00 O ATOM 476 CB LYS A 27 15.427 -3.943 -5.683 1.00 0.00 C ATOM 477 CG LYS A 27 16.840 -4.117 -5.122 1.00 0.00 C ATOM 478 CD LYS A 27 17.530 -2.754 -5.043 1.00 0.00 C ATOM 479 CE LYS A 27 18.989 -2.943 -4.623 1.00 0.00 C ATOM 480 NZ LYS A 27 19.549 -1.637 -4.174 1.00 0.00 N ATOM 0 H LYS A 27 13.178 -4.206 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 27 15.293 -6.022 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.473 -3.534 -6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.869 -3.231 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.796 -4.572 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.414 -4.791 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.481 -2.253 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.014 -2.115 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.055 -3.675 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.571 -3.333 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.541 -1.764 -3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.499 -0.951 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.999 -1.283 -3.366 1.00 0.00 H new ATOM 494 N VAL A 28 13.693 -5.191 -3.490 1.00 0.00 N ATOM 495 CA VAL A 28 13.508 -5.647 -2.081 1.00 0.00 C ATOM 496 C VAL A 28 12.291 -6.569 -1.996 1.00 0.00 C ATOM 497 O VAL A 28 12.416 -7.771 -1.866 1.00 0.00 O ATOM 498 CB VAL A 28 13.292 -4.437 -1.176 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.292 -4.885 0.286 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.417 -3.425 -1.399 1.00 0.00 C ATOM 0 H VAL A 28 13.111 -4.403 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 28 14.397 -6.188 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 28 12.334 -3.974 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.138 -4.020 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.489 -5.605 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.249 -5.349 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.263 -2.561 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.375 -3.888 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.416 -3.104 -2.441 1.00 0.00 H new ATOM 510 N GLY A 29 11.116 -6.007 -2.068 1.00 0.00 N ATOM 511 CA GLY A 29 9.876 -6.832 -1.993 1.00 0.00 C ATOM 512 C GLY A 29 9.039 -6.588 -3.246 1.00 0.00 C ATOM 513 O GLY A 29 9.346 -5.725 -4.044 1.00 0.00 O ATOM 0 H GLY A 29 10.960 -5.005 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.131 -7.888 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.304 -6.572 -1.102 1.00 0.00 H new ATOM 517 N PRO A 30 7.986 -7.337 -3.415 1.00 0.00 N ATOM 518 CA PRO A 30 7.095 -7.183 -4.591 1.00 0.00 C ATOM 519 C PRO A 30 6.698 -5.722 -4.783 1.00 0.00 C ATOM 520 O PRO A 30 6.537 -4.985 -3.831 1.00 0.00 O ATOM 521 CB PRO A 30 5.866 -8.030 -4.257 1.00 0.00 C ATOM 522 CG PRO A 30 6.277 -8.968 -3.167 1.00 0.00 C ATOM 523 CD PRO A 30 7.538 -8.398 -2.507 1.00 0.00 C ATOM 0 HA PRO A 30 7.579 -7.496 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.037 -7.400 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.525 -8.580 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.478 -9.075 -2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.473 -9.961 -3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.322 -8.004 -1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.303 -9.165 -2.386 1.00 0.00 H new ATOM 531 N ASN A 31 6.547 -5.287 -6.000 1.00 0.00 N ATOM 532 CA ASN A 31 6.173 -3.868 -6.224 1.00 0.00 C ATOM 533 C ASN A 31 4.650 -3.748 -6.278 1.00 0.00 C ATOM 534 O ASN A 31 3.973 -4.516 -6.932 1.00 0.00 O ATOM 535 CB ASN A 31 6.802 -3.380 -7.526 1.00 0.00 C ATOM 536 CG ASN A 31 8.309 -3.639 -7.467 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.933 -3.906 -8.473 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.920 -3.582 -6.314 1.00 0.00 N ATOM 0 H ASN A 31 6.666 -5.849 -6.843 1.00 0.00 H new ATOM 0 HA ASN A 31 6.542 -3.249 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.362 -3.900 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.606 -2.317 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.922 -3.762 -6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.395 -3.357 -5.469 1.00 0.00 H new ATOM 545 N LEU A 32 4.111 -2.802 -5.562 1.00 0.00 N ATOM 546 CA LEU A 32 2.633 -2.628 -5.520 1.00 0.00 C ATOM 547 C LEU A 32 2.194 -1.586 -6.556 1.00 0.00 C ATOM 548 O LEU A 32 2.745 -0.506 -6.628 1.00 0.00 O ATOM 549 CB LEU A 32 2.251 -2.144 -4.119 1.00 0.00 C ATOM 550 CG LEU A 32 0.741 -2.236 -3.939 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.321 -3.707 -3.862 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.342 -1.524 -2.645 1.00 0.00 C ATOM 0 H LEU A 32 4.637 -2.135 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 32 2.141 -3.574 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.755 -2.749 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.582 -1.115 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 32 0.244 -1.763 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.759 -3.771 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.607 -4.216 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.816 -4.183 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.738 -1.588 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.840 -1.999 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.640 -0.477 -2.699 1.00 0.00 H new ATOM 564 N HIS A 33 1.202 -1.892 -7.359 1.00 0.00 N ATOM 565 CA HIS A 33 0.746 -0.898 -8.376 1.00 0.00 C ATOM 566 C HIS A 33 -0.525 -1.377 -9.089 1.00 0.00 C ATOM 567 O HIS A 33 -0.536 -2.402 -9.741 1.00 0.00 O ATOM 568 CB HIS A 33 1.848 -0.693 -9.418 1.00 0.00 C ATOM 569 CG HIS A 33 1.296 -0.961 -10.790 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.218 -2.242 -11.320 1.00 0.00 N ATOM 571 CD2 HIS A 33 0.787 -0.125 -11.755 1.00 0.00 C ATOM 572 CE1 HIS A 33 0.682 -2.140 -12.551 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.403 -0.873 -12.860 1.00 0.00 N ATOM 0 H HIS A 33 0.695 -2.777 -7.353 1.00 0.00 H new ATOM 0 HA HIS A 33 0.528 0.037 -7.861 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.232 0.326 -9.361 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.685 -1.361 -9.214 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.699 0.948 -11.667 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.501 -2.979 -13.206 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.007 -0.526 -13.727 1.00 0.00 H new ATOM 582 N GLY A 34 -1.584 -0.616 -8.998 1.00 0.00 N ATOM 583 CA GLY A 34 -2.849 -0.988 -9.700 1.00 0.00 C ATOM 584 C GLY A 34 -3.559 -2.146 -8.995 1.00 0.00 C ATOM 585 O GLY A 34 -4.305 -2.880 -9.610 1.00 0.00 O ATOM 0 H GLY A 34 -1.628 0.252 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.512 -0.124 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.627 -1.268 -10.730 1.00 0.00 H new ATOM 589 N ILE A 35 -3.351 -2.323 -7.720 1.00 0.00 N ATOM 590 CA ILE A 35 -4.042 -3.443 -7.021 1.00 0.00 C ATOM 591 C ILE A 35 -5.317 -2.935 -6.351 1.00 0.00 C ATOM 592 O ILE A 35 -6.152 -3.705 -5.928 1.00 0.00 O ATOM 593 CB ILE A 35 -3.122 -4.043 -5.959 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.775 -2.979 -4.911 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.843 -4.541 -6.627 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.076 -3.517 -3.510 1.00 0.00 C ATOM 0 H ILE A 35 -2.741 -1.749 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.297 -4.207 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.627 -4.875 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.722 -2.708 -4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.352 -2.072 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.182 -4.970 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.092 -5.301 -7.367 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.340 -3.707 -7.118 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.828 -2.758 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.135 -3.765 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.480 -4.411 -3.328 1.00 0.00 H new ATOM 608 N PHE A 36 -5.469 -1.646 -6.244 1.00 0.00 N ATOM 609 CA PHE A 36 -6.685 -1.093 -5.590 1.00 0.00 C ATOM 610 C PHE A 36 -7.931 -1.795 -6.142 1.00 0.00 C ATOM 611 O PHE A 36 -8.938 -1.900 -5.471 1.00 0.00 O ATOM 612 CB PHE A 36 -6.767 0.411 -5.859 1.00 0.00 C ATOM 613 CG PHE A 36 -5.914 1.157 -4.855 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.513 1.072 -4.909 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.526 1.940 -3.867 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.735 1.769 -3.976 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.747 2.636 -2.938 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.352 2.549 -2.991 1.00 0.00 C ATOM 0 H PHE A 36 -4.803 -0.951 -6.582 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.631 -1.262 -4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.427 0.628 -6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.802 0.746 -5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.037 0.470 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.603 2.006 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.658 1.705 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.222 3.241 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.750 3.084 -2.271 1.00 0.00 H new ATOM 628 N GLY A 37 -7.869 -2.276 -7.355 1.00 0.00 N ATOM 629 CA GLY A 37 -9.050 -2.973 -7.948 1.00 0.00 C ATOM 630 C GLY A 37 -8.739 -4.462 -8.139 1.00 0.00 C ATOM 631 O GLY A 37 -9.270 -5.104 -9.023 1.00 0.00 O ATOM 0 H GLY A 37 -7.051 -2.217 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.917 -2.855 -7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.306 -2.521 -8.906 1.00 0.00 H new ATOM 635 N ARG A 38 -7.881 -5.017 -7.322 1.00 0.00 N ATOM 636 CA ARG A 38 -7.539 -6.465 -7.468 1.00 0.00 C ATOM 637 C ARG A 38 -7.574 -7.151 -6.106 1.00 0.00 C ATOM 638 O ARG A 38 -7.661 -6.514 -5.076 1.00 0.00 O ATOM 639 CB ARG A 38 -6.132 -6.612 -8.047 1.00 0.00 C ATOM 640 CG ARG A 38 -6.072 -5.994 -9.444 1.00 0.00 C ATOM 641 CD ARG A 38 -6.662 -6.972 -10.465 1.00 0.00 C ATOM 642 NE ARG A 38 -6.413 -6.459 -11.842 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.811 -7.148 -12.877 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.427 -8.286 -12.706 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.593 -6.697 -14.082 1.00 0.00 N ATOM 0 H ARG A 38 -7.403 -4.532 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.268 -6.926 -8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.409 -6.124 -7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.858 -7.666 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.627 -5.056 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.040 -5.759 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.211 -7.957 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.733 -7.089 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.932 -5.570 -11.976 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.597 -8.637 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.738 -8.824 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.112 -5.807 -14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.903 -7.234 -14.892 1.00 0.00 H new ATOM 659 N HIS A 39 -7.485 -8.451 -6.101 1.00 0.00 N ATOM 660 CA HIS A 39 -7.489 -9.193 -4.815 1.00 0.00 C ATOM 661 C HIS A 39 -6.053 -9.348 -4.328 1.00 0.00 C ATOM 662 O HIS A 39 -5.132 -9.467 -5.112 1.00 0.00 O ATOM 663 CB HIS A 39 -8.112 -10.573 -5.012 1.00 0.00 C ATOM 664 CG HIS A 39 -9.609 -10.453 -5.066 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.261 -9.851 -6.127 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.594 -10.869 -4.204 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.582 -9.920 -5.886 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.837 -10.530 -4.727 1.00 0.00 N ATOM 0 H HIS A 39 -7.409 -9.032 -6.936 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.074 -8.642 -4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.741 -11.022 -5.933 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.820 -11.234 -4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.429 -11.380 -3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.342 -9.530 -6.548 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.751 -10.710 -4.312 1.00 0.00 H new ATOM 677 N SER A 40 -5.850 -9.340 -3.044 1.00 0.00 N ATOM 678 CA SER A 40 -4.470 -9.478 -2.518 1.00 0.00 C ATOM 679 C SER A 40 -3.821 -10.730 -3.096 1.00 0.00 C ATOM 680 O SER A 40 -4.433 -11.774 -3.196 1.00 0.00 O ATOM 681 CB SER A 40 -4.510 -9.595 -0.999 1.00 0.00 C ATOM 682 OG SER A 40 -4.459 -8.298 -0.429 1.00 0.00 O ATOM 0 H SER A 40 -6.579 -9.244 -2.337 1.00 0.00 H new ATOM 0 HA SER A 40 -3.891 -8.600 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.420 -10.107 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.670 -10.193 -0.646 1.00 0.00 H new ATOM 0 HG SER A 40 -5.178 -7.747 -0.804 1.00 0.00 H new ATOM 688 N GLY A 41 -2.579 -10.630 -3.463 1.00 0.00 N ATOM 689 CA GLY A 41 -1.867 -11.810 -4.022 1.00 0.00 C ATOM 690 C GLY A 41 -1.737 -11.681 -5.539 1.00 0.00 C ATOM 691 O GLY A 41 -0.983 -12.399 -6.164 1.00 0.00 O ATOM 0 H GLY A 41 -2.022 -9.778 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.878 -11.894 -3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.409 -12.722 -3.773 1.00 0.00 H new ATOM 695 N GLN A 42 -2.461 -10.778 -6.140 1.00 0.00 N ATOM 696 CA GLN A 42 -2.362 -10.625 -7.617 1.00 0.00 C ATOM 697 C GLN A 42 -1.479 -9.424 -7.952 1.00 0.00 C ATOM 698 O GLN A 42 -1.785 -8.298 -7.615 1.00 0.00 O ATOM 699 CB GLN A 42 -3.761 -10.418 -8.199 1.00 0.00 C ATOM 700 CG GLN A 42 -4.595 -11.667 -7.923 1.00 0.00 C ATOM 701 CD GLN A 42 -6.016 -11.464 -8.452 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.425 -10.351 -8.715 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.791 -12.500 -8.619 1.00 0.00 N ATOM 0 H GLN A 42 -3.112 -10.144 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.919 -11.523 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.231 -9.543 -7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.701 -10.233 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.139 -12.534 -8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.620 -11.870 -6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.448 -13.435 -8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.740 -12.375 -8.970 1.00 0.00 H new ATOM 712 N ALA A 43 -0.382 -9.659 -8.618 1.00 0.00 N ATOM 713 CA ALA A 43 0.525 -8.538 -8.982 1.00 0.00 C ATOM 714 C ALA A 43 1.106 -8.786 -10.376 1.00 0.00 C ATOM 715 O ALA A 43 1.497 -9.886 -10.713 1.00 0.00 O ATOM 716 CB ALA A 43 1.662 -8.449 -7.962 1.00 0.00 C ATOM 0 H ALA A 43 -0.075 -10.582 -8.926 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.034 -7.603 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.327 -7.627 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.247 -8.273 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.223 -9.384 -7.960 1.00 0.00 H new ATOM 722 N GLU A 44 1.169 -7.765 -11.185 1.00 0.00 N ATOM 723 CA GLU A 44 1.728 -7.928 -12.556 1.00 0.00 C ATOM 724 C GLU A 44 3.248 -8.029 -12.470 1.00 0.00 C ATOM 725 O GLU A 44 3.876 -8.780 -13.189 1.00 0.00 O ATOM 726 CB GLU A 44 1.342 -6.720 -13.412 1.00 0.00 C ATOM 727 CG GLU A 44 -0.176 -6.684 -13.592 1.00 0.00 C ATOM 728 CD GLU A 44 -0.555 -5.515 -14.502 1.00 0.00 C ATOM 729 OE1 GLU A 44 0.316 -4.715 -14.800 1.00 0.00 O ATOM 730 OE2 GLU A 44 -1.712 -5.439 -14.885 1.00 0.00 O ATOM 0 H GLU A 44 0.856 -6.822 -10.955 1.00 0.00 H new ATOM 0 HA GLU A 44 1.327 -8.834 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.684 -5.801 -12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.832 -6.778 -14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.524 -7.622 -14.024 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.665 -6.578 -12.624 1.00 0.00 H new ATOM 737 N GLY A 45 3.844 -7.273 -11.590 1.00 0.00 N ATOM 738 CA GLY A 45 5.323 -7.320 -11.451 1.00 0.00 C ATOM 739 C GLY A 45 5.730 -8.657 -10.837 1.00 0.00 C ATOM 740 O GLY A 45 6.403 -9.457 -11.457 1.00 0.00 O ATOM 0 H GLY A 45 3.369 -6.625 -10.962 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.795 -7.195 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.667 -6.498 -10.823 1.00 0.00 H new ATOM 744 N TYR A 46 5.326 -8.912 -9.623 1.00 0.00 N ATOM 745 CA TYR A 46 5.696 -10.203 -8.984 1.00 0.00 C ATOM 746 C TYR A 46 4.602 -10.671 -8.035 1.00 0.00 C ATOM 747 O TYR A 46 3.922 -9.881 -7.408 1.00 0.00 O ATOM 748 CB TYR A 46 7.008 -10.036 -8.215 1.00 0.00 C ATOM 749 CG TYR A 46 7.160 -11.162 -7.218 1.00 0.00 C ATOM 750 CD1 TYR A 46 6.980 -12.491 -7.621 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.479 -10.873 -5.886 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.119 -13.529 -6.692 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.618 -11.910 -4.958 1.00 0.00 C ATOM 754 CZ TYR A 46 7.438 -13.239 -5.360 1.00 0.00 C ATOM 755 OH TYR A 46 7.576 -14.261 -4.444 1.00 0.00 O ATOM 0 H TYR A 46 4.760 -8.286 -9.050 1.00 0.00 H new ATOM 0 HA TYR A 46 5.819 -10.954 -9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.849 -10.035 -8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.019 -9.076 -7.699 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.734 -12.715 -8.648 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.618 -9.848 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.980 -14.554 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.864 -11.686 -3.931 1.00 0.00 H new ATOM 0 HH TYR A 46 7.799 -13.886 -3.567 1.00 0.00 H new ATOM 765 N SER A 47 4.435 -11.959 -7.921 1.00 0.00 N ATOM 766 CA SER A 47 3.397 -12.490 -7.008 1.00 0.00 C ATOM 767 C SER A 47 3.830 -12.226 -5.567 1.00 0.00 C ATOM 768 O SER A 47 5.003 -12.213 -5.249 1.00 0.00 O ATOM 769 CB SER A 47 3.239 -13.994 -7.235 1.00 0.00 C ATOM 770 OG SER A 47 4.272 -14.684 -6.543 1.00 0.00 O ATOM 0 H SER A 47 4.975 -12.664 -8.423 1.00 0.00 H new ATOM 0 HA SER A 47 2.443 -12.000 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.263 -14.326 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.285 -14.220 -8.300 1.00 0.00 H new ATOM 0 HG SER A 47 5.109 -14.181 -6.619 1.00 0.00 H new ATOM 776 N TYR A 48 2.892 -12.001 -4.703 1.00 0.00 N ATOM 777 CA TYR A 48 3.227 -11.716 -3.279 1.00 0.00 C ATOM 778 C TYR A 48 3.744 -12.977 -2.578 1.00 0.00 C ATOM 779 O TYR A 48 4.005 -13.988 -3.199 1.00 0.00 O ATOM 780 CB TYR A 48 1.976 -11.207 -2.571 1.00 0.00 C ATOM 781 CG TYR A 48 1.545 -9.910 -3.208 1.00 0.00 C ATOM 782 CD1 TYR A 48 0.863 -9.921 -4.431 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.836 -8.694 -2.580 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.471 -8.718 -5.024 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.444 -7.489 -3.175 1.00 0.00 C ATOM 786 CZ TYR A 48 0.761 -7.503 -4.396 1.00 0.00 C ATOM 787 OH TYR A 48 0.378 -6.318 -4.983 1.00 0.00 O ATOM 0 H TYR A 48 1.895 -12.001 -4.919 1.00 0.00 H new ATOM 0 HA TYR A 48 4.012 -10.961 -3.242 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.177 -11.945 -2.642 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.178 -11.057 -1.511 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.640 -10.860 -4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.363 -8.685 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.056 -8.727 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.669 -6.549 -2.692 1.00 0.00 H new ATOM 0 HH TYR A 48 0.279 -6.449 -5.949 1.00 0.00 H new ATOM 797 N THR A 49 3.899 -12.914 -1.281 1.00 0.00 N ATOM 798 CA THR A 49 4.404 -14.093 -0.516 1.00 0.00 C ATOM 799 C THR A 49 3.326 -15.177 -0.460 1.00 0.00 C ATOM 800 O THR A 49 2.147 -14.894 -0.491 1.00 0.00 O ATOM 801 CB THR A 49 4.762 -13.659 0.908 1.00 0.00 C ATOM 802 OG1 THR A 49 5.700 -12.594 0.854 1.00 0.00 O ATOM 803 CG2 THR A 49 5.367 -14.839 1.669 1.00 0.00 C ATOM 0 H THR A 49 3.696 -12.090 -0.715 1.00 0.00 H new ATOM 0 HA THR A 49 5.289 -14.491 -1.013 1.00 0.00 H new ATOM 0 HB THR A 49 3.861 -13.325 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.322 -11.803 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.621 -14.527 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.644 -15.654 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.268 -15.178 1.158 1.00 0.00 H new ATOM 811 N ASP A 50 3.724 -16.419 -0.382 1.00 0.00 N ATOM 812 CA ASP A 50 2.726 -17.520 -0.333 1.00 0.00 C ATOM 813 C ASP A 50 1.666 -17.220 0.730 1.00 0.00 C ATOM 814 O ASP A 50 0.494 -17.475 0.535 1.00 0.00 O ATOM 815 CB ASP A 50 3.441 -18.826 0.014 1.00 0.00 C ATOM 816 CG ASP A 50 4.339 -19.243 -1.152 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.212 -18.652 -2.213 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.137 -20.146 -0.966 1.00 0.00 O ATOM 0 H ASP A 50 4.699 -16.716 -0.350 1.00 0.00 H new ATOM 0 HA ASP A 50 2.238 -17.610 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.037 -18.697 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.711 -19.608 0.222 1.00 0.00 H new ATOM 823 N ALA A 51 2.056 -16.672 1.850 1.00 0.00 N ATOM 824 CA ALA A 51 1.047 -16.357 2.903 1.00 0.00 C ATOM 825 C ALA A 51 0.079 -15.310 2.354 1.00 0.00 C ATOM 826 O ALA A 51 -1.119 -15.505 2.327 1.00 0.00 O ATOM 827 CB ALA A 51 1.753 -15.805 4.142 1.00 0.00 C ATOM 0 H ALA A 51 3.020 -16.431 2.080 1.00 0.00 H new ATOM 0 HA ALA A 51 0.502 -17.260 3.178 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.014 -15.576 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.454 -16.548 4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.295 -14.897 3.878 1.00 0.00 H new ATOM 833 N ASN A 52 0.600 -14.208 1.896 1.00 0.00 N ATOM 834 CA ASN A 52 -0.267 -13.146 1.321 1.00 0.00 C ATOM 835 C ASN A 52 -1.061 -13.724 0.150 1.00 0.00 C ATOM 836 O ASN A 52 -2.239 -13.473 -0.001 1.00 0.00 O ATOM 837 CB ASN A 52 0.622 -12.002 0.826 1.00 0.00 C ATOM 838 CG ASN A 52 -0.241 -10.899 0.217 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.454 -10.977 0.242 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.335 -9.865 -0.335 1.00 0.00 N ATOM 0 H ASN A 52 1.598 -13.996 1.896 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.960 -12.775 2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.209 -11.602 1.653 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.329 -12.374 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.233 -9.123 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.353 -9.799 -0.356 1.00 0.00 H new ATOM 847 N ILE A 53 -0.421 -14.501 -0.678 1.00 0.00 N ATOM 848 CA ILE A 53 -1.132 -15.104 -1.840 1.00 0.00 C ATOM 849 C ILE A 53 -2.188 -16.092 -1.343 1.00 0.00 C ATOM 850 O ILE A 53 -3.270 -16.184 -1.891 1.00 0.00 O ATOM 851 CB ILE A 53 -0.129 -15.826 -2.733 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.873 -14.811 -3.288 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.866 -16.502 -3.891 1.00 0.00 C ATOM 854 CD1 ILE A 53 2.015 -15.554 -3.983 1.00 0.00 C ATOM 0 H ILE A 53 0.566 -14.745 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.622 -14.316 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 53 0.399 -16.582 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.378 -14.142 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.265 -14.192 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.147 -17.017 -4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.582 -17.222 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.394 -15.749 -4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.730 -14.833 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.515 -16.205 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.615 -16.154 -4.800 1.00 0.00 H new ATOM 866 N LYS A 54 -1.894 -16.826 -0.304 1.00 0.00 N ATOM 867 CA LYS A 54 -2.897 -17.794 0.219 1.00 0.00 C ATOM 868 C LYS A 54 -4.181 -17.034 0.540 1.00 0.00 C ATOM 869 O LYS A 54 -5.272 -17.468 0.232 1.00 0.00 O ATOM 870 CB LYS A 54 -2.360 -18.451 1.488 1.00 0.00 C ATOM 871 CG LYS A 54 -3.375 -19.473 1.998 1.00 0.00 C ATOM 872 CD LYS A 54 -2.867 -20.094 3.301 1.00 0.00 C ATOM 873 CE LYS A 54 -3.803 -21.226 3.727 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.656 -21.468 5.191 1.00 0.00 N ATOM 0 H LYS A 54 -1.009 -16.797 0.202 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.095 -18.567 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.407 -18.939 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.173 -17.695 2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.339 -18.992 2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.531 -20.250 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.856 -20.477 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.817 -19.336 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.835 -20.966 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.569 -22.134 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.292 -22.238 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.673 -21.733 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.900 -20.602 5.712 1.00 0.00 H new ATOM 888 N LYS A 55 -4.048 -15.887 1.143 1.00 0.00 N ATOM 889 CA LYS A 55 -5.239 -15.069 1.474 1.00 0.00 C ATOM 890 C LYS A 55 -5.390 -13.980 0.412 1.00 0.00 C ATOM 891 O LYS A 55 -4.508 -13.166 0.221 1.00 0.00 O ATOM 892 CB LYS A 55 -5.029 -14.428 2.842 1.00 0.00 C ATOM 893 CG LYS A 55 -5.038 -15.510 3.924 1.00 0.00 C ATOM 894 CD LYS A 55 -4.940 -14.854 5.302 1.00 0.00 C ATOM 895 CE LYS A 55 -4.828 -15.938 6.376 1.00 0.00 C ATOM 896 NZ LYS A 55 -5.896 -15.738 7.396 1.00 0.00 N ATOM 0 H LYS A 55 -3.155 -15.480 1.422 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.136 -15.688 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.082 -13.889 2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.815 -13.698 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.951 -16.101 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.203 -16.195 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.072 -14.196 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.818 -14.235 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.923 -16.925 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.847 -15.897 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.821 -16.474 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.785 -14.802 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.828 -15.798 6.939 1.00 0.00 H new ATOM 910 N ASN A 56 -6.492 -13.962 -0.289 1.00 0.00 N ATOM 911 CA ASN A 56 -6.687 -12.931 -1.346 1.00 0.00 C ATOM 912 C ASN A 56 -8.019 -12.208 -1.123 1.00 0.00 C ATOM 913 O ASN A 56 -9.065 -12.819 -1.042 1.00 0.00 O ATOM 914 CB ASN A 56 -6.667 -13.617 -2.714 1.00 0.00 C ATOM 915 CG ASN A 56 -7.964 -14.404 -2.922 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.575 -14.853 -1.973 1.00 0.00 O ATOM 917 ND2 ASN A 56 -8.411 -14.590 -4.133 1.00 0.00 N ATOM 0 H ASN A 56 -7.265 -14.617 -0.174 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.886 -12.193 -1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.553 -12.873 -3.502 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.810 -14.287 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.274 -15.113 -4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.898 -14.213 -4.930 1.00 0.00 H new ATOM 924 N VAL A 57 -7.983 -10.905 -1.003 1.00 0.00 N ATOM 925 CA VAL A 57 -9.237 -10.134 -0.763 1.00 0.00 C ATOM 926 C VAL A 57 -9.321 -8.935 -1.706 1.00 0.00 C ATOM 927 O VAL A 57 -8.361 -8.214 -1.891 1.00 0.00 O ATOM 928 CB VAL A 57 -9.239 -9.632 0.681 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.501 -8.809 0.938 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.204 -10.826 1.636 1.00 0.00 C ATOM 0 H VAL A 57 -7.135 -10.341 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.093 -10.784 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.361 -9.007 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.499 -8.453 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.524 -7.957 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.381 -9.430 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.205 -10.468 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.080 -11.452 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.301 -11.410 1.456 1.00 0.00 H new ATOM 940 N LEU A 58 -10.473 -8.697 -2.281 1.00 0.00 N ATOM 941 CA LEU A 58 -10.616 -7.525 -3.189 1.00 0.00 C ATOM 942 C LEU A 58 -10.065 -6.295 -2.481 1.00 0.00 C ATOM 943 O LEU A 58 -10.173 -6.161 -1.279 1.00 0.00 O ATOM 944 CB LEU A 58 -12.089 -7.296 -3.523 1.00 0.00 C ATOM 945 CG LEU A 58 -12.227 -6.070 -4.436 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.567 -6.355 -5.786 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.711 -5.767 -4.655 1.00 0.00 C ATOM 0 H LEU A 58 -11.314 -9.261 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.069 -7.710 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.502 -8.177 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.661 -7.146 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.740 -5.215 -3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.667 -5.482 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.510 -6.575 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.053 -7.211 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.813 -4.897 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.193 -6.626 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.186 -5.562 -3.696 1.00 0.00 H new ATOM 959 N TRP A 59 -9.470 -5.403 -3.215 1.00 0.00 N ATOM 960 CA TRP A 59 -8.903 -4.188 -2.583 1.00 0.00 C ATOM 961 C TRP A 59 -9.802 -2.980 -2.846 1.00 0.00 C ATOM 962 O TRP A 59 -10.388 -2.837 -3.901 1.00 0.00 O ATOM 963 CB TRP A 59 -7.513 -3.932 -3.152 1.00 0.00 C ATOM 964 CG TRP A 59 -6.512 -4.731 -2.387 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.685 -5.666 -2.914 1.00 0.00 C ATOM 966 CD2 TRP A 59 -6.232 -4.690 -0.959 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.897 -6.181 -1.900 1.00 0.00 N ATOM 968 CE2 TRP A 59 -5.201 -5.616 -0.676 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.762 -3.941 0.109 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.716 -5.791 0.621 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -6.277 -4.120 1.413 1.00 0.00 C ATOM 972 CH2 TRP A 59 -5.256 -5.042 1.667 1.00 0.00 C ATOM 0 H TRP A 59 -9.352 -5.464 -4.226 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.838 -4.342 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.483 -4.205 -4.207 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.272 -2.871 -3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.647 -5.960 -3.952 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.179 -6.892 -2.039 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.548 -3.224 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.927 -6.503 0.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.694 -3.543 2.225 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.886 -5.174 2.673 1.00 0.00 H new ATOM 983 N ASP A 60 -9.900 -2.106 -1.884 1.00 0.00 N ATOM 984 CA ASP A 60 -10.742 -0.891 -2.042 1.00 0.00 C ATOM 985 C ASP A 60 -10.061 0.256 -1.298 1.00 0.00 C ATOM 986 O ASP A 60 -9.263 0.037 -0.408 1.00 0.00 O ATOM 987 CB ASP A 60 -12.127 -1.146 -1.444 1.00 0.00 C ATOM 988 CG ASP A 60 -13.065 0.003 -1.818 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.684 0.803 -2.654 1.00 0.00 O ATOM 990 OD2 ASP A 60 -14.149 0.062 -1.261 1.00 0.00 O ATOM 0 H ASP A 60 -9.426 -2.184 -0.984 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.857 -0.641 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.526 -2.090 -1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.056 -1.233 -0.360 1.00 0.00 H new ATOM 995 N GLU A 61 -10.351 1.475 -1.648 1.00 0.00 N ATOM 996 CA GLU A 61 -9.693 2.608 -0.945 1.00 0.00 C ATOM 997 C GLU A 61 -9.949 2.484 0.557 1.00 0.00 C ATOM 998 O GLU A 61 -9.083 2.742 1.369 1.00 0.00 O ATOM 999 CB GLU A 61 -10.269 3.929 -1.455 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.947 4.081 -2.943 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.951 3.280 -3.777 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.985 2.919 -3.242 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.666 3.044 -4.940 1.00 0.00 O ATOM 0 H GLU A 61 -11.009 1.735 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.620 2.585 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.348 3.952 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.849 4.763 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.983 5.133 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.934 3.731 -3.143 1.00 0.00 H new ATOM 1010 N ASN A 62 -11.130 2.080 0.932 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.437 1.928 2.382 1.00 0.00 C ATOM 1012 C ASN A 62 -10.698 0.709 2.944 1.00 0.00 C ATOM 1013 O ASN A 62 -10.124 0.759 4.014 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.944 1.738 2.566 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.304 1.916 4.042 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.440 2.125 4.870 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.555 1.841 4.409 1.00 0.00 N ATOM 0 H ASN A 62 -11.895 1.849 0.299 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.113 2.822 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.489 2.460 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.241 0.746 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.806 1.958 5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.281 1.666 3.714 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.716 -0.390 2.236 1.00 0.00 N ATOM 1025 CA ASN A 63 -10.026 -1.613 2.733 1.00 0.00 C ATOM 1026 C ASN A 63 -8.520 -1.368 2.828 1.00 0.00 C ATOM 1027 O ASN A 63 -7.872 -1.774 3.774 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.294 -2.766 1.767 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.787 -3.106 1.778 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -12.505 -2.709 2.673 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -12.285 -3.830 0.813 1.00 0.00 N ATOM 0 H ASN A 63 -11.180 -0.492 1.333 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.406 -1.862 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.980 -2.491 0.760 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.709 -3.639 2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.278 -4.063 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.681 -4.163 0.061 1.00 0.00 H new ATOM 1038 N MET A 64 -7.952 -0.710 1.857 1.00 0.00 N ATOM 1039 CA MET A 64 -6.491 -0.448 1.898 1.00 0.00 C ATOM 1040 C MET A 64 -6.154 0.404 3.121 1.00 0.00 C ATOM 1041 O MET A 64 -5.110 0.252 3.723 1.00 0.00 O ATOM 1042 CB MET A 64 -6.058 0.274 0.621 1.00 0.00 C ATOM 1043 CG MET A 64 -6.147 -0.690 -0.564 1.00 0.00 C ATOM 1044 SD MET A 64 -5.206 -0.020 -1.958 1.00 0.00 S ATOM 1045 CE MET A 64 -3.548 -0.350 -1.302 1.00 0.00 C ATOM 0 H MET A 64 -8.438 -0.343 1.038 1.00 0.00 H new ATOM 0 HA MET A 64 -5.957 -1.396 1.967 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.695 1.141 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.038 0.644 0.727 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.754 -1.667 -0.282 1.00 0.00 H new ATOM 0 HG3 MET A 64 -7.188 -0.836 -0.851 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.855 -0.508 -2.128 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.216 0.501 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.575 -1.242 -0.676 1.00 0.00 H new ATOM 1055 N SER A 65 -7.026 1.296 3.500 1.00 0.00 N ATOM 1056 CA SER A 65 -6.740 2.144 4.688 1.00 0.00 C ATOM 1057 C SER A 65 -6.462 1.242 5.892 1.00 0.00 C ATOM 1058 O SER A 65 -5.599 1.520 6.704 1.00 0.00 O ATOM 1059 CB SER A 65 -7.946 3.035 4.984 1.00 0.00 C ATOM 1060 OG SER A 65 -8.277 3.781 3.819 1.00 0.00 O ATOM 0 H SER A 65 -7.919 1.473 3.041 1.00 0.00 H new ATOM 0 HA SER A 65 -5.871 2.771 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.795 2.426 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.720 3.710 5.810 1.00 0.00 H new ATOM 0 HG SER A 65 -8.676 3.185 3.151 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.179 0.158 6.012 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.944 -0.757 7.162 1.00 0.00 C ATOM 1068 C GLU A 66 -5.533 -1.339 7.060 1.00 0.00 C ATOM 1069 O GLU A 66 -4.831 -1.464 8.042 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.966 -1.897 7.127 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.374 -1.331 7.321 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.384 -2.479 7.359 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.991 -3.598 7.073 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.534 -2.219 7.675 1.00 0.00 O ATOM 0 H GLU A 66 -7.914 -0.132 5.366 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.049 -0.205 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.904 -2.426 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.744 -2.622 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.423 -0.759 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.617 -0.645 6.509 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.113 -1.693 5.875 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.745 -2.261 5.715 1.00 0.00 C ATOM 1083 C TYR A 67 -2.698 -1.197 6.036 1.00 0.00 C ATOM 1084 O TYR A 67 -1.715 -1.461 6.693 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.540 -2.734 4.277 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.176 -3.370 4.159 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -1.055 -2.575 3.889 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -2.027 -4.751 4.335 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.213 -3.161 3.789 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.760 -5.337 4.237 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.360 -4.543 3.963 1.00 0.00 C ATOM 1092 OH TYR A 67 1.610 -5.121 3.866 1.00 0.00 O ATOM 0 H TYR A 67 -5.656 -1.614 5.015 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.637 -3.103 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.314 -3.450 4.002 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.624 -1.893 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.169 -1.509 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.890 -5.364 4.547 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.077 -2.548 3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.646 -6.402 4.373 1.00 0.00 H new ATOM 0 HH TYR A 67 1.641 -5.928 4.421 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.898 0.005 5.570 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.904 1.081 5.837 1.00 0.00 C ATOM 1104 C LEU A 68 -1.561 1.105 7.324 1.00 0.00 C ATOM 1105 O LEU A 68 -0.426 1.306 7.706 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.494 2.433 5.443 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.107 2.806 4.005 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -0.684 3.364 3.981 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -2.190 1.583 3.082 1.00 0.00 C ATOM 0 H LEU A 68 -3.706 0.288 5.016 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.004 0.887 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.580 2.400 5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.140 3.202 6.130 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.806 3.562 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.414 3.627 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.631 4.252 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.009 2.611 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.911 1.872 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.509 0.811 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.209 1.196 3.082 1.00 0.00 H new ATOM 1121 N THR A 69 -2.531 0.901 8.166 1.00 0.00 N ATOM 1122 CA THR A 69 -2.259 0.912 9.624 1.00 0.00 C ATOM 1123 C THR A 69 -1.035 0.040 9.913 1.00 0.00 C ATOM 1124 O THR A 69 -0.216 0.358 10.752 1.00 0.00 O ATOM 1125 CB THR A 69 -3.475 0.351 10.361 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.644 1.034 9.929 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.294 0.554 11.860 1.00 0.00 C ATOM 0 H THR A 69 -3.502 0.727 7.906 1.00 0.00 H new ATOM 0 HA THR A 69 -2.066 1.931 9.961 1.00 0.00 H new ATOM 0 HB THR A 69 -3.575 -0.713 10.146 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.084 0.515 9.223 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.160 0.155 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.395 0.034 12.192 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.197 1.618 12.074 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.905 -1.055 9.218 1.00 0.00 N ATOM 1136 CA ASN A 70 0.266 -1.951 9.439 1.00 0.00 C ATOM 1137 C ASN A 70 0.747 -2.490 8.089 1.00 0.00 C ATOM 1138 O ASN A 70 0.473 -1.919 7.054 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.147 -3.119 10.339 1.00 0.00 C ATOM 1140 CG ASN A 70 1.105 -3.819 10.873 1.00 0.00 C ATOM 1141 OD1 ASN A 70 2.213 -3.445 10.543 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.974 -4.827 11.692 1.00 0.00 N ATOM 0 H ASN A 70 -1.561 -1.370 8.504 1.00 0.00 H new ATOM 0 HA ASN A 70 1.070 -1.393 9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.755 -2.756 11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.760 -3.825 9.779 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.802 -5.300 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.044 -5.141 11.969 1.00 0.00 H new ATOM 1149 N HIS A 71 1.460 -3.584 8.090 1.00 0.00 N ATOM 1150 CA HIS A 71 1.949 -4.159 6.803 1.00 0.00 C ATOM 1151 C HIS A 71 1.465 -5.599 6.678 1.00 0.00 C ATOM 1152 O HIS A 71 1.893 -6.332 5.809 1.00 0.00 O ATOM 1153 CB HIS A 71 3.476 -4.145 6.770 1.00 0.00 C ATOM 1154 CG HIS A 71 3.941 -3.273 5.638 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.322 -1.955 5.840 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.094 -3.510 4.287 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.682 -1.450 4.648 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.561 -2.352 3.678 1.00 0.00 N ATOM 0 H HIS A 71 1.725 -4.105 8.926 1.00 0.00 H new ATOM 0 HA HIS A 71 1.563 -3.561 5.978 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.868 -3.772 7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.858 -5.158 6.644 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.885 -4.443 3.785 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.027 -0.438 4.496 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.769 -2.220 2.688 1.00 0.00 H new ATOM 1166 N ALA A 72 0.587 -6.022 7.544 1.00 0.00 N ATOM 1167 CA ALA A 72 0.104 -7.425 7.460 1.00 0.00 C ATOM 1168 C ALA A 72 -1.029 -7.657 8.458 1.00 0.00 C ATOM 1169 O ALA A 72 -1.539 -8.754 8.582 1.00 0.00 O ATOM 1170 CB ALA A 72 1.264 -8.360 7.783 1.00 0.00 C ATOM 0 H ALA A 72 0.188 -5.463 8.298 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.271 -7.620 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.925 -9.394 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.069 -8.202 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.629 -8.153 8.789 1.00 0.00 H new ATOM 1176 N LYS A 73 -1.438 -6.644 9.170 1.00 0.00 N ATOM 1177 CA LYS A 73 -2.544 -6.841 10.146 1.00 0.00 C ATOM 1178 C LYS A 73 -3.750 -7.414 9.403 1.00 0.00 C ATOM 1179 O LYS A 73 -4.411 -8.320 9.869 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.918 -5.498 10.777 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.959 -5.721 11.875 1.00 0.00 C ATOM 1182 CD LYS A 73 -4.378 -4.374 12.463 1.00 0.00 C ATOM 1183 CE LYS A 73 -5.295 -4.604 13.666 1.00 0.00 C ATOM 1184 NZ LYS A 73 -4.484 -5.078 14.824 1.00 0.00 N ATOM 0 H LYS A 73 -1.059 -5.698 9.119 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.231 -7.526 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.031 -5.021 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.315 -4.825 10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.828 -6.238 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.547 -6.359 12.657 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.497 -3.808 12.767 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.893 -3.780 11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.813 -3.680 13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.060 -5.340 13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.043 -4.993 15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.219 -6.073 14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.624 -4.499 14.906 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.032 -6.896 8.239 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.182 -7.413 7.448 1.00 0.00 C ATOM 1200 C TYR A 74 -4.871 -8.841 6.989 1.00 0.00 C ATOM 1201 O TYR A 74 -5.742 -9.687 6.925 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.400 -6.517 6.224 1.00 0.00 C ATOM 1203 CG TYR A 74 -6.710 -6.874 5.564 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.894 -6.258 5.986 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -6.743 -7.819 4.531 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.110 -6.585 5.376 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -7.960 -8.147 3.921 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.143 -7.529 4.343 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.343 -7.852 3.741 1.00 0.00 O ATOM 0 H TYR A 74 -3.513 -6.135 7.801 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.083 -7.413 8.061 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.406 -5.469 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.579 -6.642 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.869 -5.530 6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.830 -8.295 4.205 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.023 -6.109 5.702 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.986 -8.877 3.125 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.943 -7.077 3.770 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.631 -9.108 6.663 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.247 -10.475 6.197 1.00 0.00 C ATOM 1221 C ILE A 75 -2.171 -11.055 7.125 1.00 0.00 C ATOM 1222 O ILE A 75 -0.990 -10.941 6.866 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.683 -10.392 4.771 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -2.569 -8.926 4.345 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -3.603 -11.133 3.800 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -1.779 -8.839 3.039 1.00 0.00 C ATOM 0 H ILE A 75 -2.865 -8.435 6.700 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.128 -11.117 6.210 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.696 -10.854 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.562 -8.496 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.072 -8.347 5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.195 -11.069 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.677 -12.180 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.594 -10.680 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.696 -7.796 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.782 -9.254 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.295 -9.405 2.263 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.571 -11.679 8.200 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.615 -12.290 9.165 1.00 0.00 C ATOM 1240 C PRO A 76 -0.715 -13.329 8.491 1.00 0.00 C ATOM 1241 O PRO A 76 -1.148 -14.079 7.638 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.510 -12.955 10.217 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.856 -12.324 10.066 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.967 -11.868 8.613 1.00 0.00 C ATOM 0 HA PRO A 76 -0.940 -11.547 9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.564 -14.032 10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.115 -12.799 11.221 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.646 -13.034 10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.966 -11.479 10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.469 -12.613 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.539 -10.944 8.526 1.00 0.00 H new ATOM 1252 N GLY A 77 0.535 -13.376 8.860 1.00 0.00 N ATOM 1253 CA GLY A 77 1.460 -14.360 8.232 1.00 0.00 C ATOM 1254 C GLY A 77 2.114 -13.720 7.007 1.00 0.00 C ATOM 1255 O GLY A 77 2.849 -14.356 6.277 1.00 0.00 O ATOM 0 H GLY A 77 0.956 -12.776 9.569 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.222 -14.669 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.914 -15.257 7.941 1.00 0.00 H new ATOM 1259 N THR A 78 1.848 -12.464 6.779 1.00 0.00 N ATOM 1260 CA THR A 78 2.444 -11.770 5.606 1.00 0.00 C ATOM 1261 C THR A 78 3.774 -11.128 6.017 1.00 0.00 C ATOM 1262 O THR A 78 4.074 -10.997 7.188 1.00 0.00 O ATOM 1263 CB THR A 78 1.465 -10.704 5.108 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.487 -11.320 4.285 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.208 -9.646 4.299 1.00 0.00 C ATOM 0 H THR A 78 1.240 -11.886 7.359 1.00 0.00 H new ATOM 0 HA THR A 78 2.634 -12.482 4.803 1.00 0.00 H new ATOM 0 HB THR A 78 0.988 -10.228 5.964 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.047 -12.040 4.783 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.502 -8.893 3.950 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.963 -9.172 4.926 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.691 -10.116 3.442 1.00 0.00 H new ATOM 1273 N LYS A 79 4.581 -10.742 5.065 1.00 0.00 N ATOM 1274 CA LYS A 79 5.899 -10.128 5.402 1.00 0.00 C ATOM 1275 C LYS A 79 5.704 -8.711 5.947 1.00 0.00 C ATOM 1276 O LYS A 79 4.832 -7.981 5.517 1.00 0.00 O ATOM 1277 CB LYS A 79 6.761 -10.055 4.141 1.00 0.00 C ATOM 1278 CG LYS A 79 7.057 -11.465 3.628 1.00 0.00 C ATOM 1279 CD LYS A 79 8.005 -11.376 2.429 1.00 0.00 C ATOM 1280 CE LYS A 79 8.179 -12.761 1.806 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.572 -13.238 2.039 1.00 0.00 N ATOM 0 H LYS A 79 4.385 -10.825 4.068 1.00 0.00 H new ATOM 0 HA LYS A 79 6.387 -10.741 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.246 -9.480 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.694 -9.535 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.507 -12.066 4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.131 -11.961 3.338 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.607 -10.681 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.972 -10.985 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.466 -13.460 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.971 -12.720 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.692 -14.180 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.244 -12.575 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.754 -13.292 3.062 1.00 0.00 H new ATOM 1295 N MET A 80 6.524 -8.315 6.884 1.00 0.00 N ATOM 1296 CA MET A 80 6.411 -6.943 7.456 1.00 0.00 C ATOM 1297 C MET A 80 7.805 -6.313 7.519 1.00 0.00 C ATOM 1298 O MET A 80 8.802 -7.005 7.570 1.00 0.00 O ATOM 1299 CB MET A 80 5.824 -7.021 8.868 1.00 0.00 C ATOM 1300 CG MET A 80 4.401 -7.578 8.801 1.00 0.00 C ATOM 1301 SD MET A 80 3.644 -7.492 10.443 1.00 0.00 S ATOM 1302 CE MET A 80 4.851 -8.531 11.303 1.00 0.00 C ATOM 0 H MET A 80 7.271 -8.886 7.279 1.00 0.00 H new ATOM 0 HA MET A 80 5.758 -6.337 6.828 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.446 -7.658 9.497 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.817 -6.032 9.325 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.809 -7.008 8.085 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.419 -8.610 8.450 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.352 -9.090 12.095 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.301 -9.228 10.596 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.628 -7.902 11.737 1.00 0.00 H new ATOM 1312 N ALA A 81 7.891 -5.009 7.518 1.00 0.00 N ATOM 1313 CA ALA A 81 9.235 -4.363 7.580 1.00 0.00 C ATOM 1314 C ALA A 81 9.094 -2.837 7.559 1.00 0.00 C ATOM 1315 O ALA A 81 10.008 -2.133 7.175 1.00 0.00 O ATOM 1316 CB ALA A 81 10.068 -4.811 6.377 1.00 0.00 C ATOM 0 H ALA A 81 7.098 -4.369 7.477 1.00 0.00 H new ATOM 0 HA ALA A 81 9.728 -4.660 8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.050 -4.341 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.183 -5.895 6.398 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.564 -4.517 5.456 1.00 0.00 H new ATOM 1322 N PHE A 82 7.967 -2.318 7.973 1.00 0.00 N ATOM 1323 CA PHE A 82 7.783 -0.835 7.979 1.00 0.00 C ATOM 1324 C PHE A 82 7.685 -0.335 9.426 1.00 0.00 C ATOM 1325 O PHE A 82 7.202 -1.025 10.300 1.00 0.00 O ATOM 1326 CB PHE A 82 6.507 -0.463 7.227 1.00 0.00 C ATOM 1327 CG PHE A 82 6.386 1.032 7.193 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.149 1.774 6.286 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.525 1.676 8.077 1.00 0.00 C ATOM 1330 CE1 PHE A 82 7.045 3.167 6.265 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.419 3.067 8.059 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.179 3.815 7.151 1.00 0.00 C ATOM 0 H PHE A 82 7.167 -2.856 8.307 1.00 0.00 H new ATOM 0 HA PHE A 82 8.637 -0.370 7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.536 -0.863 6.213 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.638 -0.901 7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.818 1.271 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.939 1.099 8.777 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.633 3.743 5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.751 3.567 8.745 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.096 4.892 7.135 1.00 0.00 H new ATOM 1342 N GLY A 83 8.150 0.860 9.684 1.00 0.00 N ATOM 1343 CA GLY A 83 8.095 1.404 11.075 1.00 0.00 C ATOM 1344 C GLY A 83 6.648 1.448 11.579 1.00 0.00 C ATOM 1345 O GLY A 83 6.356 1.003 12.672 1.00 0.00 O ATOM 0 H GLY A 83 8.566 1.483 8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.698 0.784 11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.524 2.406 11.097 1.00 0.00 H new ATOM 1349 N GLY A 84 5.741 1.977 10.798 1.00 0.00 N ATOM 1350 CA GLY A 84 4.314 2.043 11.244 1.00 0.00 C ATOM 1351 C GLY A 84 3.777 3.471 11.089 1.00 0.00 C ATOM 1352 O GLY A 84 4.343 4.419 11.596 1.00 0.00 O ATOM 0 H GLY A 84 5.925 2.365 9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.709 1.353 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.235 1.728 12.285 1.00 0.00 H new ATOM 1356 N LEU A 85 2.675 3.625 10.400 1.00 0.00 N ATOM 1357 CA LEU A 85 2.080 4.977 10.215 1.00 0.00 C ATOM 1358 C LEU A 85 1.195 5.293 11.423 1.00 0.00 C ATOM 1359 O LEU A 85 -0.016 5.309 11.334 1.00 0.00 O ATOM 1360 CB LEU A 85 1.240 4.973 8.941 1.00 0.00 C ATOM 1361 CG LEU A 85 2.107 4.530 7.757 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.225 4.343 6.525 1.00 0.00 C ATOM 1363 CD2 LEU A 85 3.159 5.601 7.449 1.00 0.00 C ATOM 0 H LEU A 85 2.160 2.865 9.956 1.00 0.00 H new ATOM 0 HA LEU A 85 2.862 5.732 10.131 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.391 4.300 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.835 5.968 8.757 1.00 0.00 H new ATOM 0 HG LEU A 85 2.602 3.593 8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.840 4.028 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.472 3.582 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.733 5.285 6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.771 5.278 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.662 6.538 7.199 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.794 5.749 8.323 1.00 0.00 H new ATOM 1375 N LYS A 86 1.800 5.538 12.554 1.00 0.00 N ATOM 1376 CA LYS A 86 1.011 5.847 13.776 1.00 0.00 C ATOM 1377 C LYS A 86 0.139 7.076 13.531 1.00 0.00 C ATOM 1378 O LYS A 86 -0.959 7.182 14.041 1.00 0.00 O ATOM 1379 CB LYS A 86 1.971 6.124 14.933 1.00 0.00 C ATOM 1380 CG LYS A 86 2.773 4.860 15.248 1.00 0.00 C ATOM 1381 CD LYS A 86 3.652 5.104 16.475 1.00 0.00 C ATOM 1382 CE LYS A 86 4.547 3.886 16.713 1.00 0.00 C ATOM 1383 NZ LYS A 86 5.828 4.058 15.970 1.00 0.00 N ATOM 0 H LYS A 86 2.812 5.537 12.682 1.00 0.00 H new ATOM 0 HA LYS A 86 0.371 4.999 14.021 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.646 6.939 14.672 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.413 6.442 15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.097 4.025 15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.392 4.587 14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.263 5.994 16.326 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.029 5.288 17.351 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.745 3.769 17.779 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.041 2.979 16.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.437 3.230 16.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.630 4.149 14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.312 4.915 16.306 1.00 0.00 H new ATOM 1397 N LYS A 87 0.616 8.007 12.755 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.190 9.228 12.482 1.00 0.00 C ATOM 1399 C LYS A 87 -1.153 8.955 11.327 1.00 0.00 C ATOM 1400 O LYS A 87 -0.757 8.527 10.261 1.00 0.00 O ATOM 1401 CB LYS A 87 0.742 10.382 12.106 1.00 0.00 C ATOM 1402 CG LYS A 87 1.641 10.721 13.296 1.00 0.00 C ATOM 1403 CD LYS A 87 2.492 11.948 12.962 1.00 0.00 C ATOM 1404 CE LYS A 87 3.479 12.213 14.099 1.00 0.00 C ATOM 1405 NZ LYS A 87 3.953 13.625 14.027 1.00 0.00 N ATOM 0 H LYS A 87 1.528 7.976 12.299 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.757 9.495 13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.350 10.106 11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.158 11.256 11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.034 10.917 14.180 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.284 9.873 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.032 11.786 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.852 12.817 12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.001 12.027 15.061 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.325 11.530 14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.624 13.806 14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.424 13.787 13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.141 14.269 14.116 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.417 9.202 11.531 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.409 8.963 10.447 1.00 0.00 C ATOM 1421 C GLU A 88 -3.119 9.905 9.279 1.00 0.00 C ATOM 1422 O GLU A 88 -3.430 9.616 8.140 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.817 9.225 10.977 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.148 8.212 12.075 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.581 8.432 12.559 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.174 9.423 12.165 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.064 7.605 13.315 1.00 0.00 O ATOM 0 H GLU A 88 -2.806 9.560 12.403 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.337 7.929 10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.886 10.239 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.542 9.148 10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.034 7.197 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.452 8.321 12.906 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.534 11.038 9.555 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.232 12.010 8.467 1.00 0.00 C ATOM 1436 C LYS A 89 -1.395 11.328 7.389 1.00 0.00 C ATOM 1437 O LYS A 89 -1.662 11.452 6.210 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.433 13.176 9.048 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.294 14.290 8.005 1.00 0.00 C ATOM 1440 CD LYS A 89 -2.567 15.139 7.976 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.336 16.376 7.106 1.00 0.00 C ATOM 1442 NZ LYS A 89 -1.566 17.391 7.880 1.00 0.00 N ATOM 0 H LYS A 89 -2.251 11.333 10.490 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.165 12.371 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -1.931 13.561 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.446 12.832 9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.434 14.917 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.112 13.858 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.398 14.554 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.840 15.439 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.791 16.102 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.291 16.794 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.996 18.329 7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.582 17.143 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.582 17.410 7.544 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.381 10.614 7.783 1.00 0.00 N ATOM 1457 CA ASP A 90 0.474 9.931 6.776 1.00 0.00 C ATOM 1458 C ASP A 90 -0.378 8.945 5.980 1.00 0.00 C ATOM 1459 O ASP A 90 -0.384 8.952 4.765 1.00 0.00 O ATOM 1460 CB ASP A 90 1.591 9.173 7.491 1.00 0.00 C ATOM 1461 CG ASP A 90 2.474 10.162 8.253 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.398 11.344 7.958 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.213 9.722 9.118 1.00 0.00 O ATOM 0 H ASP A 90 -0.107 10.474 8.756 1.00 0.00 H new ATOM 0 HA ASP A 90 0.908 10.669 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.166 8.443 8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.189 8.618 6.768 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.105 8.098 6.657 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.965 7.116 5.935 1.00 0.00 C ATOM 1470 C ARG A 91 -2.935 7.842 5.000 1.00 0.00 C ATOM 1471 O ARG A 91 -3.137 7.443 3.872 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.766 6.301 6.951 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.807 5.455 6.216 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.419 4.441 7.184 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.254 5.156 8.190 1.00 0.00 N ATOM 1476 CZ ARG A 91 -5.747 4.505 9.208 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -5.510 3.230 9.345 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -6.479 5.131 10.090 1.00 0.00 N ATOM 0 H ARG A 91 -1.141 8.043 7.675 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.327 6.458 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.099 5.658 7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.257 6.966 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.586 6.096 5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.343 4.937 5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.027 3.721 6.637 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.631 3.878 7.684 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.440 6.153 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.939 2.741 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.896 2.722 10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.665 6.128 9.983 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.865 4.623 10.886 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.545 8.898 5.461 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.509 9.633 4.598 1.00 0.00 C ATOM 1494 C ASN A 92 -3.791 10.228 3.386 1.00 0.00 C ATOM 1495 O ASN A 92 -4.277 10.170 2.274 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.154 10.757 5.406 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.046 10.161 6.495 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.284 8.970 6.519 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.564 10.949 7.398 1.00 0.00 N ATOM 0 H ASN A 92 -3.418 9.283 6.397 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.274 8.939 4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.383 11.383 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.743 11.398 4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.169 10.565 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.364 11.949 7.378 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.645 10.808 3.592 1.00 0.00 N ATOM 1507 CA ASP A 93 -1.904 11.416 2.451 1.00 0.00 C ATOM 1508 C ASP A 93 -1.480 10.330 1.461 1.00 0.00 C ATOM 1509 O ASP A 93 -1.560 10.502 0.262 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.663 12.140 2.979 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.093 13.316 3.857 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.258 13.674 3.804 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.250 13.838 4.567 1.00 0.00 O ATOM 0 H ASP A 93 -2.187 10.889 4.500 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.554 12.126 1.941 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.044 11.451 3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.056 12.497 2.147 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.026 9.211 1.955 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.591 8.114 1.043 1.00 0.00 C ATOM 1520 C LEU A 94 -1.725 7.719 0.111 1.00 0.00 C ATOM 1521 O LEU A 94 -1.625 7.823 -1.094 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.208 6.887 1.867 1.00 0.00 C ATOM 1523 CG LEU A 94 1.308 6.776 1.964 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.663 5.898 3.162 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.859 6.136 0.687 1.00 0.00 C ATOM 0 H LEU A 94 -0.937 9.008 2.951 1.00 0.00 H new ATOM 0 HA LEU A 94 0.260 8.469 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.640 6.960 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.618 5.988 1.407 1.00 0.00 H new ATOM 0 HG LEU A 94 1.743 7.768 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.747 5.811 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.267 6.348 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.229 4.907 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.944 6.057 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.430 5.141 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.596 6.753 -0.172 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.795 7.243 0.668 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.935 6.803 -0.158 1.00 0.00 C ATOM 1539 C ILE A 95 -4.355 7.926 -1.099 1.00 0.00 C ATOM 1540 O ILE A 95 -4.708 7.693 -2.238 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.072 6.415 0.770 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.542 5.362 1.745 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.219 5.832 -0.046 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.694 4.810 2.587 1.00 0.00 C ATOM 0 H ILE A 95 -2.927 7.140 1.674 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.658 5.944 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.438 7.286 1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.061 4.553 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.784 5.802 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.035 5.554 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.572 6.576 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.872 4.949 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.312 4.060 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.155 5.622 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.437 4.354 1.933 1.00 0.00 H new ATOM 1556 N THR A 96 -4.297 9.145 -0.651 1.00 0.00 N ATOM 1557 CA THR A 96 -4.666 10.267 -1.540 1.00 0.00 C ATOM 1558 C THR A 96 -3.766 10.214 -2.777 1.00 0.00 C ATOM 1559 O THR A 96 -4.199 10.461 -3.885 1.00 0.00 O ATOM 1560 CB THR A 96 -4.453 11.584 -0.797 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.146 11.543 0.444 1.00 0.00 O ATOM 1562 CG2 THR A 96 -4.991 12.733 -1.640 1.00 0.00 C ATOM 0 H THR A 96 -4.010 9.409 0.291 1.00 0.00 H new ATOM 0 HA THR A 96 -5.711 10.193 -1.839 1.00 0.00 H new ATOM 0 HB THR A 96 -3.389 11.733 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.523 11.292 1.158 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.840 13.674 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.463 12.763 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.056 12.585 -1.820 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.517 9.882 -2.589 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.580 9.795 -3.741 1.00 0.00 C ATOM 1572 C TYR A 97 -1.768 8.460 -4.465 1.00 0.00 C ATOM 1573 O TYR A 97 -1.889 8.408 -5.673 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.143 9.905 -3.230 1.00 0.00 C ATOM 1575 CG TYR A 97 0.817 9.667 -4.369 1.00 0.00 C ATOM 1576 CD1 TYR A 97 1.158 10.712 -5.235 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.367 8.395 -4.556 1.00 0.00 C ATOM 1578 CE1 TYR A 97 2.050 10.482 -6.290 1.00 0.00 C ATOM 1579 CE2 TYR A 97 2.257 8.164 -5.607 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.599 9.207 -6.477 1.00 0.00 C ATOM 1581 OH TYR A 97 3.478 8.980 -7.516 1.00 0.00 O ATOM 0 H TYR A 97 -2.105 9.667 -1.681 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.785 10.608 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.026 10.892 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.029 9.177 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.734 11.695 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.103 7.590 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.314 11.287 -6.959 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.682 7.181 -5.749 1.00 0.00 H new ATOM 0 HH TYR A 97 3.766 8.043 -7.502 1.00 0.00 H new ATOM 1591 N LEU A 98 -1.789 7.379 -3.734 1.00 0.00 N ATOM 1592 CA LEU A 98 -1.965 6.045 -4.381 1.00 0.00 C ATOM 1593 C LEU A 98 -3.245 6.048 -5.212 1.00 0.00 C ATOM 1594 O LEU A 98 -3.254 5.662 -6.364 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.083 4.971 -3.300 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.842 4.988 -2.403 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.053 4.039 -1.223 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.369 4.523 -3.206 1.00 0.00 C ATOM 0 H LEU A 98 -1.692 7.360 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.108 5.838 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.977 5.144 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.194 3.990 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.675 6.000 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.170 4.051 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.921 4.361 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.219 3.028 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.254 4.534 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.197 3.510 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.523 5.192 -4.053 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.327 6.484 -4.633 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.611 6.518 -5.384 1.00 0.00 C ATOM 1612 C LYS A 99 -5.461 7.428 -6.603 1.00 0.00 C ATOM 1613 O LYS A 99 -5.960 7.137 -7.672 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.717 7.049 -4.472 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.052 7.038 -5.219 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.130 7.682 -4.344 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.501 7.489 -4.997 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.496 8.379 -4.336 1.00 0.00 N ATOM 0 H LYS A 99 -4.378 6.819 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.871 5.513 -5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.787 6.435 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.479 8.062 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.959 7.581 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.334 6.015 -5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.122 7.234 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.923 8.744 -4.216 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.444 7.717 -6.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.814 6.448 -4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.428 8.248 -4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.557 8.141 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.199 9.370 -4.441 1.00 0.00 H new ATOM 1632 N LYS A 100 -4.775 8.525 -6.449 1.00 0.00 N ATOM 1633 CA LYS A 100 -4.587 9.457 -7.598 1.00 0.00 C ATOM 1634 C LYS A 100 -3.877 8.719 -8.729 1.00 0.00 C ATOM 1635 O LYS A 100 -4.232 8.833 -9.885 1.00 0.00 O ATOM 1636 CB LYS A 100 -3.718 10.631 -7.152 1.00 0.00 C ATOM 1637 CG LYS A 100 -3.724 11.715 -8.233 1.00 0.00 C ATOM 1638 CD LYS A 100 -2.800 12.859 -7.813 1.00 0.00 C ATOM 1639 CE LYS A 100 -2.927 14.011 -8.812 1.00 0.00 C ATOM 1640 NZ LYS A 100 -1.570 14.535 -9.141 1.00 0.00 N ATOM 0 H LYS A 100 -4.335 8.818 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.556 9.820 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.093 11.038 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.698 10.292 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.394 11.297 -9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.737 12.088 -8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.060 13.202 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.768 12.511 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.425 13.667 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.543 14.805 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.655 15.318 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.110 14.878 -8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.996 13.775 -9.559 1.00 0.00 H new ATOM 1654 N ALA A 101 -2.878 7.959 -8.392 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.132 7.197 -9.432 1.00 0.00 C ATOM 1656 C ALA A 101 -3.046 6.112 -9.987 1.00 0.00 C ATOM 1657 O ALA A 101 -3.202 5.964 -11.183 1.00 0.00 O ATOM 1658 CB ALA A 101 -0.892 6.555 -8.807 1.00 0.00 C ATOM 0 H ALA A 101 -2.542 7.830 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.819 7.866 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.347 5.998 -9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.248 7.332 -8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.196 5.877 -8.010 1.00 0.00 H new ATOM 1664 N THR A 102 -3.672 5.365 -9.122 1.00 0.00 N ATOM 1665 CA THR A 102 -4.598 4.304 -9.592 1.00 0.00 C ATOM 1666 C THR A 102 -5.738 4.971 -10.356 1.00 0.00 C ATOM 1667 O THR A 102 -6.301 4.410 -11.274 1.00 0.00 O ATOM 1668 CB THR A 102 -5.159 3.539 -8.390 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.084 3.047 -7.601 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.012 2.369 -8.882 1.00 0.00 C ATOM 0 H THR A 102 -3.581 5.445 -8.109 1.00 0.00 H new ATOM 0 HA THR A 102 -4.071 3.602 -10.238 1.00 0.00 H new ATOM 0 HB THR A 102 -5.776 4.207 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.726 3.772 -7.048 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.411 1.825 -8.026 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.836 2.748 -9.487 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.398 1.699 -9.484 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.081 6.174 -9.976 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.186 6.889 -10.677 1.00 0.00 C ATOM 1680 C GLU A 103 -6.832 7.048 -12.156 1.00 0.00 C ATOM 1681 O GLU A 103 -5.757 7.498 -12.503 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.382 8.270 -10.048 1.00 0.00 C ATOM 1683 CG GLU A 103 -8.599 8.949 -10.679 1.00 0.00 C ATOM 1684 CD GLU A 103 -8.736 10.369 -10.124 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -7.896 10.756 -9.328 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -9.679 11.043 -10.503 1.00 0.00 O ATOM 0 H GLU A 103 -5.644 6.690 -9.212 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.107 6.314 -10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.523 8.174 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.492 8.880 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.490 8.980 -11.763 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.501 8.375 -10.465 1.00 0.00 H new