USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 818 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 36 SER OG : rot 60:sc= 0.635 USER MOD Set 1.2: A 87 CYS SG : rot 168:sc= -0.0702 USER MOD Set 2.1: A 41 GLN : amide:sc= 0.673 K(o=1.5,f=-4.5) USER MOD Set 2.2: A 44 LYS NZ :NH3+ -166:sc= 0.872 (180deg=0) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -160:sc= 2.63 (180deg=1.76) USER MOD Set 3.2: A 109 SER OG : rot 45:sc= 1.6 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 69:sc= 1.19 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -94:sc= 1.25 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 24 MET CE :methyl -171:sc= -0.433 (180deg=-0.547) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.255 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.14) USER MOD Single : A 32 GLN : amide:sc= 1.05 K(o=1.1,f=-0.94) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 38 THR OG1 : rot 78:sc= 1.06 USER MOD Single : A 45 SER OG : rot 90:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= 0.308 X(o=0.31,f=0) USER MOD Single : A 52 SER OG : rot 1:sc= 0.732 USER MOD Single : A 54 ASN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.198 K(o=0.2,f=-2!) USER MOD Single : A 63 GLN : amide:sc= 1.24 K(o=1.2,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -89:sc= 1.32 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -16:sc= 1.15 USER MOD Single : A 76 GLN : amide:sc= 1.69 K(o=1.7,f=-3.2!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 170:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 176:sc= 1.2 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -166:sc= -0.0169 (180deg=-0.294) USER MOD Single : A 108 CYS SG : rot 80:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 6 -3.787 10.161 -9.467 1.00 0.00 N ATOM 78 CA ALA A 6 -4.068 11.494 -8.937 1.00 0.00 C ATOM 79 C ALA A 6 -2.846 12.146 -8.266 1.00 0.00 C ATOM 80 O ALA A 6 -2.523 13.294 -8.591 1.00 0.00 O ATOM 81 CB ALA A 6 -5.260 11.381 -7.972 1.00 0.00 C ATOM 0 HA ALA A 6 -4.317 12.158 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.490 12.364 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.128 10.999 -8.509 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.007 10.699 -7.160 1.00 0.00 H new ATOM 87 N LEU A 7 -2.127 11.429 -7.386 1.00 0.00 N ATOM 88 CA LEU A 7 -0.905 11.957 -6.766 1.00 0.00 C ATOM 89 C LEU A 7 0.175 12.180 -7.825 1.00 0.00 C ATOM 90 O LEU A 7 0.751 13.263 -7.887 1.00 0.00 O ATOM 91 CB LEU A 7 -0.412 11.016 -5.641 1.00 0.00 C ATOM 92 CG LEU A 7 0.860 11.538 -4.928 1.00 0.00 C ATOM 93 CD1 LEU A 7 0.595 12.829 -4.137 1.00 0.00 C ATOM 94 CD2 LEU A 7 1.439 10.483 -3.979 1.00 0.00 C ATOM 0 H LEU A 7 -2.372 10.484 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.131 12.921 -6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.207 10.890 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.207 10.032 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 7 1.581 11.755 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.516 13.156 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.245 13.606 -4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.165 12.641 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.331 10.880 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.697 10.228 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.701 9.589 -4.545 1.00 0.00 H new ATOM 106 N LYS A 8 0.404 11.203 -8.708 1.00 0.00 N ATOM 107 CA LYS A 8 1.431 11.294 -9.754 1.00 0.00 C ATOM 108 C LYS A 8 1.194 12.503 -10.679 1.00 0.00 C ATOM 109 O LYS A 8 2.127 13.261 -10.950 1.00 0.00 O ATOM 110 CB LYS A 8 1.456 9.981 -10.559 1.00 0.00 C ATOM 111 CG LYS A 8 1.978 8.793 -9.732 1.00 0.00 C ATOM 112 CD LYS A 8 1.918 7.462 -10.501 1.00 0.00 C ATOM 113 CE LYS A 8 2.851 7.457 -11.726 1.00 0.00 C ATOM 114 NZ LYS A 8 2.842 6.145 -12.428 1.00 0.00 N ATOM 0 H LYS A 8 -0.117 10.326 -8.719 1.00 0.00 H new ATOM 0 HA LYS A 8 2.400 11.444 -9.278 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.450 9.758 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.085 10.111 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.008 8.989 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.391 8.706 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.193 6.646 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.894 7.277 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.544 8.241 -12.419 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.867 7.692 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.483 6.185 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.159 5.400 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.878 5.932 -12.754 1.00 0.00 H new ATOM 128 N THR A 9 -0.063 12.730 -11.093 1.00 0.00 N ATOM 129 CA THR A 9 -0.509 13.856 -11.919 1.00 0.00 C ATOM 130 C THR A 9 -0.354 15.187 -11.185 1.00 0.00 C ATOM 131 O THR A 9 0.142 16.139 -11.780 1.00 0.00 O ATOM 132 CB THR A 9 -1.948 13.611 -12.357 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.004 12.435 -13.132 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.500 14.737 -13.210 1.00 0.00 C ATOM 0 H THR A 9 -0.829 12.103 -10.848 1.00 0.00 H new ATOM 0 HA THR A 9 0.122 13.924 -12.805 1.00 0.00 H new ATOM 0 HB THR A 9 -2.544 13.535 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.928 12.273 -13.414 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.528 14.509 -13.493 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.478 15.668 -12.643 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.892 14.845 -14.108 1.00 0.00 H new ATOM 142 N THR A 10 -0.735 15.247 -9.902 1.00 0.00 N ATOM 143 CA THR A 10 -0.612 16.453 -9.062 1.00 0.00 C ATOM 144 C THR A 10 0.851 16.856 -8.921 1.00 0.00 C ATOM 145 O THR A 10 1.202 17.993 -9.242 1.00 0.00 O ATOM 146 CB THR A 10 -1.264 16.236 -7.685 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.623 15.919 -7.865 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.201 17.489 -6.807 1.00 0.00 C ATOM 0 H THR A 10 -1.142 14.452 -9.410 1.00 0.00 H new ATOM 0 HA THR A 10 -1.144 17.268 -9.553 1.00 0.00 H new ATOM 0 HB THR A 10 -0.716 15.433 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.701 15.030 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.674 17.284 -5.847 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.160 17.769 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.724 18.307 -7.302 1.00 0.00 H new ATOM 156 N LEU A 11 1.712 15.925 -8.494 1.00 0.00 N ATOM 157 CA LEU A 11 3.147 16.165 -8.322 1.00 0.00 C ATOM 158 C LEU A 11 3.799 16.606 -9.633 1.00 0.00 C ATOM 159 O LEU A 11 4.441 17.653 -9.645 1.00 0.00 O ATOM 160 CB LEU A 11 3.831 14.909 -7.737 1.00 0.00 C ATOM 161 CG LEU A 11 3.426 14.566 -6.288 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.125 13.271 -5.858 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.777 15.687 -5.300 1.00 0.00 C ATOM 0 H LEU A 11 1.428 14.975 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 11 3.278 16.983 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.600 14.056 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.911 15.051 -7.773 1.00 0.00 H new ATOM 0 HG LEU A 11 2.343 14.443 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.841 13.027 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.827 12.459 -6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.205 13.405 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.471 15.395 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.853 15.862 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.257 16.601 -5.587 1.00 0.00 H new ATOM 175 N ASP A 12 3.578 15.886 -10.735 1.00 0.00 N ATOM 176 CA ASP A 12 4.108 16.241 -12.057 1.00 0.00 C ATOM 177 C ASP A 12 3.687 17.653 -12.496 1.00 0.00 C ATOM 178 O ASP A 12 4.546 18.465 -12.840 1.00 0.00 O ATOM 179 CB ASP A 12 3.664 15.194 -13.083 1.00 0.00 C ATOM 180 CG ASP A 12 4.233 15.499 -14.479 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.441 15.249 -14.702 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.464 15.968 -15.354 1.00 0.00 O ATOM 0 H ASP A 12 3.021 15.032 -10.737 1.00 0.00 H new ATOM 0 HA ASP A 12 5.196 16.249 -11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.993 14.206 -12.762 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.575 15.167 -13.130 1.00 0.00 H new ATOM 187 N LYS A 13 2.393 17.996 -12.404 1.00 0.00 N ATOM 188 CA LYS A 13 1.905 19.337 -12.747 1.00 0.00 C ATOM 189 C LYS A 13 2.484 20.414 -11.818 1.00 0.00 C ATOM 190 O LYS A 13 3.015 21.409 -12.308 1.00 0.00 O ATOM 191 CB LYS A 13 0.364 19.350 -12.743 1.00 0.00 C ATOM 192 CG LYS A 13 -0.217 18.625 -13.969 1.00 0.00 C ATOM 193 CD LYS A 13 -1.752 18.601 -13.910 1.00 0.00 C ATOM 194 CE LYS A 13 -2.380 17.879 -15.114 1.00 0.00 C ATOM 195 NZ LYS A 13 -2.245 18.649 -16.384 1.00 0.00 N ATOM 0 H LYS A 13 1.662 17.356 -12.092 1.00 0.00 H new ATOM 0 HA LYS A 13 2.252 19.580 -13.751 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.001 18.874 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.009 20.381 -12.728 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.109 19.125 -14.881 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.166 17.605 -14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.069 18.109 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.126 19.624 -13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.908 16.904 -15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.436 17.699 -14.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.685 18.116 -17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.718 19.570 -16.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.237 18.799 -16.594 1.00 0.00 H new ATOM 209 N VAL A 14 2.486 20.195 -10.497 1.00 0.00 N ATOM 210 CA VAL A 14 3.030 21.167 -9.528 1.00 0.00 C ATOM 211 C VAL A 14 4.541 21.357 -9.720 1.00 0.00 C ATOM 212 O VAL A 14 4.997 22.496 -9.828 1.00 0.00 O ATOM 213 CB VAL A 14 2.662 20.815 -8.070 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.392 21.681 -7.026 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.149 20.972 -7.831 1.00 0.00 C ATOM 0 H VAL A 14 2.115 19.347 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 14 2.555 22.126 -9.733 1.00 0.00 H new ATOM 0 HB VAL A 14 2.976 19.779 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.086 21.379 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.469 21.548 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.139 22.730 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.916 20.718 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.855 22.003 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.604 20.306 -8.500 1.00 0.00 H new ATOM 225 N VAL A 15 5.317 20.269 -9.822 1.00 0.00 N ATOM 226 CA VAL A 15 6.788 20.332 -9.876 1.00 0.00 C ATOM 227 C VAL A 15 7.330 20.850 -11.222 1.00 0.00 C ATOM 228 O VAL A 15 8.459 21.330 -11.260 1.00 0.00 O ATOM 229 CB VAL A 15 7.419 18.971 -9.487 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.533 17.976 -10.656 1.00 0.00 C ATOM 231 CG2 VAL A 15 8.793 19.168 -8.835 1.00 0.00 C ATOM 0 H VAL A 15 4.945 19.320 -9.869 1.00 0.00 H new ATOM 0 HA VAL A 15 7.091 21.072 -9.135 1.00 0.00 H new ATOM 0 HB VAL A 15 6.728 18.529 -8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.984 17.049 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.540 17.767 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.156 18.406 -11.440 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.213 18.197 -8.572 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.458 19.674 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.685 19.773 -7.935 1.00 0.00 H new ATOM 241 N THR A 16 6.542 20.788 -12.308 1.00 0.00 N ATOM 242 CA THR A 16 6.911 21.361 -13.620 1.00 0.00 C ATOM 243 C THR A 16 6.390 22.782 -13.816 1.00 0.00 C ATOM 244 O THR A 16 7.104 23.609 -14.375 1.00 0.00 O ATOM 245 CB THR A 16 6.466 20.474 -14.793 1.00 0.00 C ATOM 246 OG1 THR A 16 5.077 20.251 -14.750 1.00 0.00 O ATOM 247 CG2 THR A 16 7.187 19.126 -14.789 1.00 0.00 C ATOM 0 H THR A 16 5.627 20.338 -12.304 1.00 0.00 H new ATOM 0 HA THR A 16 8.000 21.403 -13.614 1.00 0.00 H new ATOM 0 HB THR A 16 6.725 21.006 -15.708 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.895 19.413 -14.275 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.845 18.528 -15.634 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.262 19.288 -14.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.969 18.600 -13.860 1.00 0.00 H new ATOM 255 N SER A 17 5.184 23.100 -13.333 1.00 0.00 N ATOM 256 CA SER A 17 4.594 24.439 -13.497 1.00 0.00 C ATOM 257 C SER A 17 5.254 25.484 -12.582 1.00 0.00 C ATOM 258 O SER A 17 5.573 26.590 -13.026 1.00 0.00 O ATOM 259 CB SER A 17 3.080 24.368 -13.245 1.00 0.00 C ATOM 260 OG SER A 17 2.434 25.585 -13.586 1.00 0.00 O ATOM 0 H SER A 17 4.592 22.446 -12.822 1.00 0.00 H new ATOM 0 HA SER A 17 4.777 24.764 -14.521 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.652 23.553 -13.828 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.896 24.140 -12.195 1.00 0.00 H new ATOM 0 HG SER A 17 1.472 25.504 -13.415 1.00 0.00 H new ATOM 266 N HIS A 18 5.514 25.138 -11.313 1.00 0.00 N ATOM 267 CA HIS A 18 6.158 26.041 -10.343 1.00 0.00 C ATOM 268 C HIS A 18 7.676 25.804 -10.202 1.00 0.00 C ATOM 269 O HIS A 18 8.359 26.583 -9.539 1.00 0.00 O ATOM 270 CB HIS A 18 5.449 25.889 -8.989 1.00 0.00 C ATOM 271 CG HIS A 18 3.977 26.216 -9.047 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.416 27.473 -9.031 1.00 0.00 N ATOM 273 CD2 HIS A 18 2.945 25.319 -9.120 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.081 27.333 -9.093 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.739 26.032 -9.147 1.00 0.00 N ATOM 0 H HIS A 18 5.284 24.222 -10.928 1.00 0.00 H new ATOM 0 HA HIS A 18 6.058 27.061 -10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.573 24.866 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.930 26.540 -8.259 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.044 24.244 -9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.378 28.153 -9.099 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.797 25.645 -9.197 1.00 0.00 H new ATOM 283 N LYS A 19 8.215 24.713 -10.770 1.00 0.00 N ATOM 284 CA LYS A 19 9.640 24.306 -10.797 1.00 0.00 C ATOM 285 C LYS A 19 10.287 24.005 -9.429 1.00 0.00 C ATOM 286 O LYS A 19 11.037 23.040 -9.333 1.00 0.00 O ATOM 287 CB LYS A 19 10.470 25.298 -11.636 1.00 0.00 C ATOM 288 CG LYS A 19 10.234 25.046 -13.134 1.00 0.00 C ATOM 289 CD LYS A 19 11.126 25.951 -13.995 1.00 0.00 C ATOM 290 CE LYS A 19 11.255 25.443 -15.441 1.00 0.00 C ATOM 291 NZ LYS A 19 12.096 24.218 -15.522 1.00 0.00 N ATOM 0 H LYS A 19 7.627 24.039 -11.260 1.00 0.00 H new ATOM 0 HA LYS A 19 9.645 23.331 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.193 26.321 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.529 25.187 -11.403 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.439 24.001 -13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.187 25.227 -13.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.715 26.960 -14.003 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.117 26.014 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.264 25.231 -15.842 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.690 26.225 -16.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.441 24.097 -16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.906 24.310 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.529 23.389 -15.250 1.00 0.00 H new ATOM 305 N VAL A 20 10.006 24.772 -8.379 1.00 0.00 N ATOM 306 CA VAL A 20 10.518 24.588 -7.006 1.00 0.00 C ATOM 307 C VAL A 20 9.328 24.399 -6.058 1.00 0.00 C ATOM 308 O VAL A 20 8.421 25.228 -6.057 1.00 0.00 O ATOM 309 CB VAL A 20 11.370 25.805 -6.558 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.024 25.550 -5.189 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.469 26.180 -7.571 1.00 0.00 C ATOM 0 H VAL A 20 9.387 25.579 -8.456 1.00 0.00 H new ATOM 0 HA VAL A 20 11.161 23.708 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 20 10.673 26.641 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.615 26.419 -4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.249 25.374 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.672 24.676 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.029 27.038 -7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.145 25.335 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.011 26.432 -8.528 1.00 0.00 H new ATOM 321 N VAL A 21 9.326 23.339 -5.238 1.00 0.00 N ATOM 322 CA VAL A 21 8.252 23.109 -4.243 1.00 0.00 C ATOM 323 C VAL A 21 8.742 22.317 -3.027 1.00 0.00 C ATOM 324 O VAL A 21 9.508 21.369 -3.168 1.00 0.00 O ATOM 325 CB VAL A 21 6.988 22.478 -4.886 1.00 0.00 C ATOM 326 CG1 VAL A 21 7.248 21.100 -5.507 1.00 0.00 C ATOM 327 CG2 VAL A 21 5.814 22.371 -3.898 1.00 0.00 C ATOM 0 H VAL A 21 10.053 22.623 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 21 7.958 24.090 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 21 6.717 23.167 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.324 20.715 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.004 21.189 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.601 20.415 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.956 21.923 -4.399 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.106 21.748 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.547 23.366 -3.541 1.00 0.00 H new ATOM 337 N LEU A 22 8.296 22.720 -1.831 1.00 0.00 N ATOM 338 CA LEU A 22 8.680 22.129 -0.541 1.00 0.00 C ATOM 339 C LEU A 22 7.474 21.427 0.116 1.00 0.00 C ATOM 340 O LEU A 22 6.396 22.014 0.245 1.00 0.00 O ATOM 341 CB LEU A 22 9.272 23.293 0.292 1.00 0.00 C ATOM 342 CG LEU A 22 9.939 23.020 1.655 1.00 0.00 C ATOM 343 CD1 LEU A 22 8.935 22.697 2.766 1.00 0.00 C ATOM 344 CD2 LEU A 22 11.006 21.924 1.575 1.00 0.00 C ATOM 0 H LEU A 22 7.636 23.491 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 22 9.426 21.340 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.012 23.793 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.467 24.007 0.465 1.00 0.00 H new ATOM 0 HG LEU A 22 10.429 23.957 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.470 22.515 3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.254 23.538 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.366 21.808 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.445 21.771 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.549 20.996 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.785 22.225 0.874 1.00 0.00 H new ATOM 356 N PHE A 23 7.645 20.172 0.541 1.00 0.00 N ATOM 357 CA PHE A 23 6.624 19.405 1.266 1.00 0.00 C ATOM 358 C PHE A 23 6.999 19.249 2.743 1.00 0.00 C ATOM 359 O PHE A 23 8.106 18.820 3.062 1.00 0.00 O ATOM 360 CB PHE A 23 6.398 18.046 0.591 1.00 0.00 C ATOM 361 CG PHE A 23 5.531 18.119 -0.657 1.00 0.00 C ATOM 362 CD1 PHE A 23 6.037 18.663 -1.854 1.00 0.00 C ATOM 363 CD2 PHE A 23 4.206 17.638 -0.621 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.234 18.718 -3.007 1.00 0.00 C ATOM 365 CE2 PHE A 23 3.402 17.697 -1.772 1.00 0.00 C ATOM 366 CZ PHE A 23 3.912 18.242 -2.963 1.00 0.00 C ATOM 0 H PHE A 23 8.509 19.651 0.390 1.00 0.00 H new ATOM 0 HA PHE A 23 5.685 19.956 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.364 17.617 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.933 17.368 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.048 19.040 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.808 17.223 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.632 19.125 -3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.389 17.323 -1.741 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.289 18.295 -3.843 1.00 0.00 H new ATOM 376 N MET A 24 6.060 19.587 3.634 1.00 0.00 N ATOM 377 CA MET A 24 6.233 19.627 5.100 1.00 0.00 C ATOM 378 C MET A 24 4.874 19.631 5.810 1.00 0.00 C ATOM 379 O MET A 24 3.837 19.570 5.157 1.00 0.00 O ATOM 380 CB MET A 24 7.078 20.856 5.499 1.00 0.00 C ATOM 381 CG MET A 24 6.396 22.184 5.151 1.00 0.00 C ATOM 382 SD MET A 24 7.305 23.612 5.771 1.00 0.00 S ATOM 383 CE MET A 24 6.241 24.877 5.063 1.00 0.00 C ATOM 0 H MET A 24 5.118 19.852 3.347 1.00 0.00 H new ATOM 0 HA MET A 24 6.764 18.729 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.275 20.824 6.571 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.044 20.806 4.996 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.295 22.264 4.069 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.388 22.191 5.566 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.706 25.855 5.188 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.095 24.677 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.276 24.867 5.570 1.00 0.00 H new ATOM 393 N LYS A 25 4.826 19.755 7.138 1.00 0.00 N ATOM 394 CA LYS A 25 3.571 19.888 7.916 1.00 0.00 C ATOM 395 C LYS A 25 2.963 21.310 7.818 1.00 0.00 C ATOM 396 O LYS A 25 2.712 21.967 8.828 1.00 0.00 O ATOM 397 CB LYS A 25 3.836 19.438 9.370 1.00 0.00 C ATOM 398 CG LYS A 25 4.196 17.946 9.453 1.00 0.00 C ATOM 399 CD LYS A 25 4.303 17.435 10.897 1.00 0.00 C ATOM 400 CE LYS A 25 5.446 18.114 11.671 1.00 0.00 C ATOM 401 NZ LYS A 25 5.572 17.582 13.057 1.00 0.00 N ATOM 0 H LYS A 25 5.663 19.767 7.720 1.00 0.00 H new ATOM 0 HA LYS A 25 2.810 19.236 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.648 20.031 9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.952 19.632 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.441 17.366 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.144 17.778 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.360 17.613 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.463 16.357 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.385 17.964 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.270 19.189 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.353 18.065 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.685 17.748 13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.766 16.561 13.021 1.00 0.00 H new ATOM 415 N GLY A 26 2.790 21.821 6.593 1.00 0.00 N ATOM 416 CA GLY A 26 2.396 23.212 6.313 1.00 0.00 C ATOM 417 C GLY A 26 2.523 23.619 4.843 1.00 0.00 C ATOM 418 O GLY A 26 3.120 22.895 4.046 1.00 0.00 O ATOM 0 H GLY A 26 2.923 21.267 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.363 23.355 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.010 23.880 6.917 1.00 0.00 H new ATOM 422 N THR A 27 1.949 24.777 4.501 1.00 0.00 N ATOM 423 CA THR A 27 1.844 25.330 3.136 1.00 0.00 C ATOM 424 C THR A 27 2.681 26.603 2.983 1.00 0.00 C ATOM 425 O THR A 27 3.371 27.026 3.909 1.00 0.00 O ATOM 426 CB THR A 27 0.369 25.609 2.801 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.116 26.572 3.708 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.500 24.357 2.900 1.00 0.00 C ATOM 0 H THR A 27 1.523 25.388 5.198 1.00 0.00 H new ATOM 0 HA THR A 27 2.238 24.593 2.436 1.00 0.00 H new ATOM 0 HB THR A 27 0.318 25.962 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.056 26.765 3.509 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.531 24.610 2.654 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.134 23.604 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.456 23.963 3.915 1.00 0.00 H new ATOM 436 N LYS A 28 2.602 27.252 1.816 1.00 0.00 N ATOM 437 CA LYS A 28 3.196 28.581 1.599 1.00 0.00 C ATOM 438 C LYS A 28 2.526 29.668 2.472 1.00 0.00 C ATOM 439 O LYS A 28 3.187 30.606 2.921 1.00 0.00 O ATOM 440 CB LYS A 28 3.104 28.905 0.094 1.00 0.00 C ATOM 441 CG LYS A 28 3.927 30.146 -0.296 1.00 0.00 C ATOM 442 CD LYS A 28 3.906 30.437 -1.805 1.00 0.00 C ATOM 443 CE LYS A 28 2.502 30.837 -2.292 1.00 0.00 C ATOM 444 NZ LYS A 28 2.490 31.165 -3.741 1.00 0.00 N ATOM 0 H LYS A 28 2.127 26.874 0.996 1.00 0.00 H new ATOM 0 HA LYS A 28 4.242 28.570 1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.453 28.047 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.060 29.066 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.541 31.013 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.959 30.006 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.610 31.238 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.242 29.555 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.805 30.022 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.152 31.698 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.588 31.620 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.274 31.813 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.599 30.292 -4.295 1.00 0.00 H new ATOM 458 N ASP A 29 1.220 29.524 2.739 1.00 0.00 N ATOM 459 CA ASP A 29 0.435 30.421 3.599 1.00 0.00 C ATOM 460 C ASP A 29 0.644 30.138 5.101 1.00 0.00 C ATOM 461 O ASP A 29 0.634 31.067 5.908 1.00 0.00 O ATOM 462 CB ASP A 29 -1.049 30.282 3.223 1.00 0.00 C ATOM 463 CG ASP A 29 -1.934 31.272 3.996 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.858 32.492 3.711 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.717 30.822 4.868 1.00 0.00 O ATOM 0 H ASP A 29 0.666 28.760 2.352 1.00 0.00 H new ATOM 0 HA ASP A 29 0.777 31.443 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.169 30.448 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.381 29.264 3.427 1.00 0.00 H new ATOM 470 N PHE A 30 0.875 28.867 5.464 1.00 0.00 N ATOM 471 CA PHE A 30 1.154 28.416 6.829 1.00 0.00 C ATOM 472 C PHE A 30 2.509 27.671 6.891 1.00 0.00 C ATOM 473 O PHE A 30 2.532 26.435 6.916 1.00 0.00 O ATOM 474 CB PHE A 30 -0.031 27.560 7.316 1.00 0.00 C ATOM 475 CG PHE A 30 0.098 27.075 8.750 1.00 0.00 C ATOM 476 CD1 PHE A 30 0.048 27.998 9.812 1.00 0.00 C ATOM 477 CD2 PHE A 30 0.275 25.704 9.026 1.00 0.00 C ATOM 478 CE1 PHE A 30 0.179 27.553 11.141 1.00 0.00 C ATOM 479 CE2 PHE A 30 0.405 25.261 10.355 1.00 0.00 C ATOM 480 CZ PHE A 30 0.357 26.186 11.412 1.00 0.00 C ATOM 0 H PHE A 30 0.872 28.102 4.790 1.00 0.00 H new ATOM 0 HA PHE A 30 1.252 29.268 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.948 28.142 7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.134 26.696 6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.091 29.049 9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.311 24.992 8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.143 28.263 11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.542 24.210 10.563 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.457 25.846 12.432 1.00 0.00 H new ATOM 490 N PRO A 31 3.648 28.399 6.889 1.00 0.00 N ATOM 491 CA PRO A 31 4.980 27.806 6.966 1.00 0.00 C ATOM 492 C PRO A 31 5.299 27.300 8.383 1.00 0.00 C ATOM 493 O PRO A 31 4.630 27.668 9.351 1.00 0.00 O ATOM 494 CB PRO A 31 5.942 28.912 6.515 1.00 0.00 C ATOM 495 CG PRO A 31 5.230 30.187 6.964 1.00 0.00 C ATOM 496 CD PRO A 31 3.754 29.847 6.754 1.00 0.00 C ATOM 0 HA PRO A 31 5.066 26.924 6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.922 28.811 6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.100 28.896 5.437 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.445 30.424 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.534 31.050 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.129 30.354 7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.416 30.172 5.770 1.00 0.00 H new ATOM 504 N GLN A 32 6.343 26.469 8.505 1.00 0.00 N ATOM 505 CA GLN A 32 6.824 25.938 9.786 1.00 0.00 C ATOM 506 C GLN A 32 8.150 26.585 10.208 1.00 0.00 C ATOM 507 O GLN A 32 9.046 26.789 9.387 1.00 0.00 O ATOM 508 CB GLN A 32 6.959 24.406 9.700 1.00 0.00 C ATOM 509 CG GLN A 32 5.595 23.687 9.707 1.00 0.00 C ATOM 510 CD GLN A 32 4.858 23.778 11.056 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.339 24.316 12.046 1.00 0.00 O ATOM 512 NE2 GLN A 32 3.661 23.241 11.162 1.00 0.00 N ATOM 0 H GLN A 32 6.884 26.143 7.705 1.00 0.00 H new ATOM 0 HA GLN A 32 6.091 26.186 10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.499 24.143 8.790 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.557 24.050 10.539 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.964 24.115 8.928 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.745 22.637 9.455 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.233 22.786 10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.161 23.280 12.050 1.00 0.00 H new ATOM 521 N CYS A 33 8.269 26.905 11.500 1.00 0.00 N ATOM 522 CA CYS A 33 9.378 27.669 12.080 1.00 0.00 C ATOM 523 C CYS A 33 10.734 26.935 12.031 1.00 0.00 C ATOM 524 O CYS A 33 10.804 25.704 11.968 1.00 0.00 O ATOM 525 CB CYS A 33 9.003 28.062 13.521 1.00 0.00 C ATOM 526 SG CYS A 33 7.507 29.099 13.519 1.00 0.00 S ATOM 0 H CYS A 33 7.573 26.630 12.194 1.00 0.00 H new ATOM 0 HA CYS A 33 9.523 28.560 11.469 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.833 27.166 14.118 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.828 28.602 13.985 1.00 0.00 H new ATOM 0 HG CYS A 33 7.201 29.421 14.741 1.00 0.00 H new ATOM 532 N GLY A 34 11.826 27.708 12.106 1.00 0.00 N ATOM 533 CA GLY A 34 13.203 27.196 12.178 1.00 0.00 C ATOM 534 C GLY A 34 13.761 26.844 10.804 1.00 0.00 C ATOM 535 O GLY A 34 13.891 27.715 9.943 1.00 0.00 O ATOM 0 H GLY A 34 11.777 28.727 12.119 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.842 27.944 12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.227 26.312 12.815 1.00 0.00 H new ATOM 539 N PHE A 35 14.114 25.574 10.596 1.00 0.00 N ATOM 540 CA PHE A 35 14.761 25.085 9.372 1.00 0.00 C ATOM 541 C PHE A 35 13.920 25.335 8.111 1.00 0.00 C ATOM 542 O PHE A 35 14.437 25.860 7.127 1.00 0.00 O ATOM 543 CB PHE A 35 15.142 23.600 9.553 1.00 0.00 C ATOM 544 CG PHE A 35 14.051 22.681 10.089 1.00 0.00 C ATOM 545 CD1 PHE A 35 13.108 22.101 9.220 1.00 0.00 C ATOM 546 CD2 PHE A 35 13.987 22.395 11.468 1.00 0.00 C ATOM 547 CE1 PHE A 35 12.098 21.263 9.723 1.00 0.00 C ATOM 548 CE2 PHE A 35 12.977 21.557 11.972 1.00 0.00 C ATOM 549 CZ PHE A 35 12.030 20.993 11.101 1.00 0.00 C ATOM 0 H PHE A 35 13.956 24.840 11.286 1.00 0.00 H new ATOM 0 HA PHE A 35 15.674 25.659 9.212 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.472 23.212 8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.996 23.546 10.228 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.161 22.301 8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.717 22.821 12.140 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.374 20.826 9.051 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.929 21.347 13.030 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.251 20.353 11.489 1.00 0.00 H new ATOM 559 N SER A 36 12.618 25.042 8.127 1.00 0.00 N ATOM 560 CA SER A 36 11.755 25.244 6.951 1.00 0.00 C ATOM 561 C SER A 36 11.528 26.727 6.650 1.00 0.00 C ATOM 562 O SER A 36 11.718 27.137 5.507 1.00 0.00 O ATOM 563 CB SER A 36 10.438 24.489 7.113 1.00 0.00 C ATOM 564 OG SER A 36 10.702 23.098 7.107 1.00 0.00 O ATOM 0 H SER A 36 12.133 24.663 8.941 1.00 0.00 H new ATOM 0 HA SER A 36 12.274 24.832 6.086 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.951 24.776 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.754 24.746 6.304 1.00 0.00 H new ATOM 0 HG SER A 36 11.308 22.877 7.845 1.00 0.00 H new ATOM 570 N GLN A 37 11.254 27.553 7.668 1.00 0.00 N ATOM 571 CA GLN A 37 11.184 29.022 7.563 1.00 0.00 C ATOM 572 C GLN A 37 12.467 29.587 6.929 1.00 0.00 C ATOM 573 O GLN A 37 12.396 30.366 5.975 1.00 0.00 O ATOM 574 CB GLN A 37 10.949 29.586 8.977 1.00 0.00 C ATOM 575 CG GLN A 37 10.866 31.121 9.057 1.00 0.00 C ATOM 576 CD GLN A 37 10.630 31.632 10.486 1.00 0.00 C ATOM 577 OE1 GLN A 37 10.675 30.898 11.468 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.378 32.913 10.660 1.00 0.00 N ATOM 0 H GLN A 37 11.070 27.213 8.612 1.00 0.00 H new ATOM 0 HA GLN A 37 10.362 29.319 6.912 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.024 29.166 9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.755 29.246 9.627 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.790 31.551 8.671 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.059 31.470 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.337 33.539 9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.224 33.280 11.599 1.00 0.00 H new ATOM 587 N THR A 38 13.634 29.124 7.401 1.00 0.00 N ATOM 588 CA THR A 38 14.949 29.465 6.843 1.00 0.00 C ATOM 589 C THR A 38 15.038 29.036 5.383 1.00 0.00 C ATOM 590 O THR A 38 15.353 29.860 4.534 1.00 0.00 O ATOM 591 CB THR A 38 16.082 28.872 7.697 1.00 0.00 C ATOM 592 OG1 THR A 38 15.960 29.343 9.020 1.00 0.00 O ATOM 593 CG2 THR A 38 17.462 29.290 7.193 1.00 0.00 C ATOM 0 H THR A 38 13.690 28.489 8.197 1.00 0.00 H new ATOM 0 HA THR A 38 15.070 30.548 6.870 1.00 0.00 H new ATOM 0 HB THR A 38 15.995 27.787 7.639 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.249 28.849 9.479 1.00 0.00 H new ATOM 0 HG21 THR A 38 18.230 28.847 7.827 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.595 28.945 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.547 30.376 7.224 1.00 0.00 H new ATOM 601 N VAL A 39 14.694 27.786 5.062 1.00 0.00 N ATOM 602 CA VAL A 39 14.721 27.258 3.686 1.00 0.00 C ATOM 603 C VAL A 39 13.777 27.999 2.736 1.00 0.00 C ATOM 604 O VAL A 39 14.211 28.337 1.640 1.00 0.00 O ATOM 605 CB VAL A 39 14.480 25.731 3.654 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.014 25.183 2.292 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.797 25.053 4.054 1.00 0.00 C ATOM 0 H VAL A 39 14.385 27.102 5.753 1.00 0.00 H new ATOM 0 HA VAL A 39 15.729 27.443 3.314 1.00 0.00 H new ATOM 0 HB VAL A 39 13.665 25.514 4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.870 24.105 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.073 25.657 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.768 25.399 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.667 23.971 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.579 25.332 3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.082 25.374 5.056 1.00 0.00 H new ATOM 617 N VAL A 40 12.532 28.301 3.118 1.00 0.00 N ATOM 618 CA VAL A 40 11.628 29.035 2.226 1.00 0.00 C ATOM 619 C VAL A 40 12.099 30.481 2.011 1.00 0.00 C ATOM 620 O VAL A 40 11.996 30.981 0.892 1.00 0.00 O ATOM 621 CB VAL A 40 10.147 28.948 2.651 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.653 27.488 2.643 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.813 29.610 3.994 1.00 0.00 C ATOM 0 H VAL A 40 12.132 28.054 4.023 1.00 0.00 H new ATOM 0 HA VAL A 40 11.676 28.535 1.259 1.00 0.00 H new ATOM 0 HB VAL A 40 9.614 29.529 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.607 27.456 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.752 27.076 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.250 26.898 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.749 29.494 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.391 29.136 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.061 30.671 3.948 1.00 0.00 H new ATOM 633 N GLN A 41 12.690 31.134 3.021 1.00 0.00 N ATOM 634 CA GLN A 41 13.324 32.450 2.860 1.00 0.00 C ATOM 635 C GLN A 41 14.593 32.391 1.989 1.00 0.00 C ATOM 636 O GLN A 41 14.808 33.281 1.165 1.00 0.00 O ATOM 637 CB GLN A 41 13.591 33.055 4.250 1.00 0.00 C ATOM 638 CG GLN A 41 14.076 34.520 4.215 1.00 0.00 C ATOM 639 CD GLN A 41 13.086 35.521 3.602 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.913 35.246 3.365 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.521 36.728 3.306 1.00 0.00 N ATOM 0 H GLN A 41 12.742 30.766 3.971 1.00 0.00 H new ATOM 0 HA GLN A 41 12.640 33.104 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.676 33.000 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.338 32.448 4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.303 34.835 5.233 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.008 34.564 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.491 36.981 3.493 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.888 37.410 2.889 1.00 0.00 H new ATOM 650 N ILE A 42 15.395 31.324 2.107 1.00 0.00 N ATOM 651 CA ILE A 42 16.550 31.038 1.233 1.00 0.00 C ATOM 652 C ILE A 42 16.110 30.924 -0.228 1.00 0.00 C ATOM 653 O ILE A 42 16.671 31.620 -1.067 1.00 0.00 O ATOM 654 CB ILE A 42 17.314 29.778 1.737 1.00 0.00 C ATOM 655 CG1 ILE A 42 18.248 30.176 2.903 1.00 0.00 C ATOM 656 CG2 ILE A 42 18.092 29.040 0.627 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.891 28.983 3.626 1.00 0.00 C ATOM 0 H ILE A 42 15.259 30.616 2.829 1.00 0.00 H new ATOM 0 HA ILE A 42 17.250 31.872 1.280 1.00 0.00 H new ATOM 0 HB ILE A 42 16.566 29.066 2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.037 30.822 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.680 30.762 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.599 28.174 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.398 28.711 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.829 29.713 0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.531 29.347 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.111 28.347 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.488 28.408 2.919 1.00 0.00 H new ATOM 669 N LEU A 43 15.094 30.107 -0.534 1.00 0.00 N ATOM 670 CA LEU A 43 14.593 29.914 -1.903 1.00 0.00 C ATOM 671 C LEU A 43 14.082 31.231 -2.499 1.00 0.00 C ATOM 672 O LEU A 43 14.541 31.647 -3.565 1.00 0.00 O ATOM 673 CB LEU A 43 13.495 28.830 -1.891 1.00 0.00 C ATOM 674 CG LEU A 43 13.998 27.400 -1.598 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.778 26.480 -1.433 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.926 26.881 -2.708 1.00 0.00 C ATOM 0 H LEU A 43 14.593 29.558 0.164 1.00 0.00 H new ATOM 0 HA LEU A 43 15.411 29.580 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.749 29.098 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.992 28.832 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 43 14.586 27.411 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.114 25.464 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.164 26.835 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.190 26.487 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.257 25.872 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.387 26.866 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.792 27.537 -2.794 1.00 0.00 H new ATOM 688 N LYS A 44 13.204 31.937 -1.771 1.00 0.00 N ATOM 689 CA LYS A 44 12.728 33.270 -2.161 1.00 0.00 C ATOM 690 C LYS A 44 13.916 34.153 -2.569 1.00 0.00 C ATOM 691 O LYS A 44 14.007 34.533 -3.734 1.00 0.00 O ATOM 692 CB LYS A 44 11.949 33.911 -0.995 1.00 0.00 C ATOM 693 CG LYS A 44 10.537 33.330 -0.820 1.00 0.00 C ATOM 694 CD LYS A 44 9.908 33.729 0.527 1.00 0.00 C ATOM 695 CE LYS A 44 9.730 35.251 0.664 1.00 0.00 C ATOM 696 NZ LYS A 44 9.355 35.639 2.051 1.00 0.00 N ATOM 0 H LYS A 44 12.805 31.599 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 44 12.058 33.176 -3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.510 33.771 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.875 34.985 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.900 33.677 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.582 32.243 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.938 33.242 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.536 33.365 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.656 35.752 0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.961 35.591 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.015 36.622 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.602 35.010 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.186 35.557 2.671 1.00 0.00 H new ATOM 710 N SER A 45 14.863 34.355 -1.643 1.00 0.00 N ATOM 711 CA SER A 45 16.047 35.226 -1.771 1.00 0.00 C ATOM 712 C SER A 45 17.026 34.797 -2.878 1.00 0.00 C ATOM 713 O SER A 45 17.626 35.652 -3.534 1.00 0.00 O ATOM 714 CB SER A 45 16.815 35.270 -0.436 1.00 0.00 C ATOM 715 OG SER A 45 15.983 35.617 0.662 1.00 0.00 O ATOM 0 H SER A 45 14.825 33.892 -0.735 1.00 0.00 H new ATOM 0 HA SER A 45 15.659 36.207 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.269 34.297 -0.250 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.629 35.991 -0.513 1.00 0.00 H new ATOM 0 HG SER A 45 15.603 34.803 1.054 1.00 0.00 H new ATOM 721 N LEU A 46 17.166 33.484 -3.117 1.00 0.00 N ATOM 722 CA LEU A 46 17.917 32.902 -4.232 1.00 0.00 C ATOM 723 C LEU A 46 17.301 33.271 -5.597 1.00 0.00 C ATOM 724 O LEU A 46 18.000 33.230 -6.609 1.00 0.00 O ATOM 725 CB LEU A 46 17.991 31.381 -3.986 1.00 0.00 C ATOM 726 CG LEU A 46 18.832 30.563 -4.982 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.284 31.055 -5.050 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.814 29.091 -4.537 1.00 0.00 C ATOM 0 H LEU A 46 16.743 32.776 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 46 18.927 33.310 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.392 31.217 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.975 30.985 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 46 18.400 30.680 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.840 30.449 -5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.300 32.098 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.744 30.968 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.405 28.494 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.237 29.008 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.787 28.726 -4.528 1.00 0.00 H new ATOM 740 N ASN A 47 16.013 33.642 -5.587 1.00 0.00 N ATOM 741 CA ASN A 47 15.160 34.251 -6.631 1.00 0.00 C ATOM 742 C ASN A 47 14.123 33.237 -7.146 1.00 0.00 C ATOM 743 O ASN A 47 13.855 33.151 -8.348 1.00 0.00 O ATOM 744 CB ASN A 47 15.914 34.994 -7.758 1.00 0.00 C ATOM 745 CG ASN A 47 16.690 36.212 -7.257 1.00 0.00 C ATOM 746 OD1 ASN A 47 16.135 37.291 -7.069 1.00 0.00 O ATOM 747 ND2 ASN A 47 17.987 36.088 -7.040 1.00 0.00 N ATOM 0 H ASN A 47 15.469 33.506 -4.735 1.00 0.00 H new ATOM 0 HA ASN A 47 14.623 35.062 -6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.605 34.304 -8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.199 35.313 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.529 36.889 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.447 35.191 -7.197 1.00 0.00 H new ATOM 754 N ALA A 48 13.556 32.433 -6.236 1.00 0.00 N ATOM 755 CA ALA A 48 12.728 31.279 -6.633 1.00 0.00 C ATOM 756 C ALA A 48 11.217 31.601 -6.712 1.00 0.00 C ATOM 757 O ALA A 48 10.681 32.195 -5.770 1.00 0.00 O ATOM 758 CB ALA A 48 12.970 30.103 -5.677 1.00 0.00 C ATOM 0 H ALA A 48 13.652 32.556 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 48 13.037 31.010 -7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.354 29.256 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.021 29.817 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.707 30.399 -4.662 1.00 0.00 H new ATOM 764 N PRO A 49 10.502 31.134 -7.762 1.00 0.00 N ATOM 765 CA PRO A 49 9.041 31.175 -7.856 1.00 0.00 C ATOM 766 C PRO A 49 8.437 29.960 -7.112 1.00 0.00 C ATOM 767 O PRO A 49 7.619 29.214 -7.654 1.00 0.00 O ATOM 768 CB PRO A 49 8.767 31.174 -9.365 1.00 0.00 C ATOM 769 CG PRO A 49 9.862 30.249 -9.899 1.00 0.00 C ATOM 770 CD PRO A 49 11.052 30.560 -8.991 1.00 0.00 C ATOM 0 HA PRO A 49 8.583 32.045 -7.387 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.770 30.799 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.838 32.175 -9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.570 29.201 -9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.089 30.455 -10.945 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.621 29.656 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.735 31.259 -9.473 1.00 0.00 H new ATOM 778 N PHE A 50 8.902 29.719 -5.879 1.00 0.00 N ATOM 779 CA PHE A 50 8.624 28.507 -5.107 1.00 0.00 C ATOM 780 C PHE A 50 7.152 28.348 -4.667 1.00 0.00 C ATOM 781 O PHE A 50 6.369 29.300 -4.633 1.00 0.00 O ATOM 782 CB PHE A 50 9.579 28.432 -3.895 1.00 0.00 C ATOM 783 CG PHE A 50 9.047 29.098 -2.634 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.758 30.477 -2.625 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.745 28.317 -1.498 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.145 31.063 -1.505 1.00 0.00 C ATOM 787 CE2 PHE A 50 8.140 28.909 -0.376 1.00 0.00 C ATOM 788 CZ PHE A 50 7.840 30.281 -0.379 1.00 0.00 C ATOM 0 H PHE A 50 9.497 30.381 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 50 8.804 27.668 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.789 27.385 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.527 28.898 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.008 31.085 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.979 27.263 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.908 32.117 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.905 28.308 0.490 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.375 30.734 0.484 1.00 0.00 H new ATOM 798 N GLU A 51 6.816 27.122 -4.255 1.00 0.00 N ATOM 799 CA GLU A 51 5.565 26.757 -3.596 1.00 0.00 C ATOM 800 C GLU A 51 5.856 25.931 -2.336 1.00 0.00 C ATOM 801 O GLU A 51 6.978 25.488 -2.093 1.00 0.00 O ATOM 802 CB GLU A 51 4.664 25.973 -4.571 1.00 0.00 C ATOM 803 CG GLU A 51 3.968 26.863 -5.608 1.00 0.00 C ATOM 804 CD GLU A 51 3.047 27.923 -4.979 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.389 27.640 -3.950 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.964 29.052 -5.516 1.00 0.00 O ATOM 0 H GLU A 51 7.439 26.324 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 51 5.039 27.664 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.266 25.227 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.908 25.433 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.724 27.362 -6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.383 26.236 -6.281 1.00 0.00 H new ATOM 813 N SER A 52 4.848 25.685 -1.505 1.00 0.00 N ATOM 814 CA SER A 52 4.952 24.748 -0.380 1.00 0.00 C ATOM 815 C SER A 52 3.601 24.068 -0.111 1.00 0.00 C ATOM 816 O SER A 52 2.562 24.729 -0.161 1.00 0.00 O ATOM 817 CB SER A 52 5.503 25.448 0.869 1.00 0.00 C ATOM 818 OG SER A 52 6.819 25.917 0.644 1.00 0.00 O ATOM 0 H SER A 52 3.933 26.128 -1.589 1.00 0.00 H new ATOM 0 HA SER A 52 5.662 23.965 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.856 26.283 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.498 24.756 1.711 1.00 0.00 H new ATOM 0 HG SER A 52 7.092 25.700 -0.272 1.00 0.00 H new ATOM 824 N VAL A 53 3.610 22.756 0.151 1.00 0.00 N ATOM 825 CA VAL A 53 2.395 21.913 0.209 1.00 0.00 C ATOM 826 C VAL A 53 2.418 21.022 1.456 1.00 0.00 C ATOM 827 O VAL A 53 3.468 20.493 1.824 1.00 0.00 O ATOM 828 CB VAL A 53 2.282 21.042 -1.069 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.031 20.146 -1.064 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.248 21.897 -2.352 1.00 0.00 C ATOM 0 H VAL A 53 4.469 22.237 0.332 1.00 0.00 H new ATOM 0 HA VAL A 53 1.525 22.567 0.266 1.00 0.00 H new ATOM 0 HB VAL A 53 3.175 20.417 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.001 19.558 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.066 19.477 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.138 20.768 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.168 21.245 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.388 22.566 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.163 22.485 -2.422 1.00 0.00 H new ATOM 840 N ASN A 54 1.260 20.850 2.103 1.00 0.00 N ATOM 841 CA ASN A 54 1.177 20.089 3.348 1.00 0.00 C ATOM 842 C ASN A 54 1.162 18.560 3.153 1.00 0.00 C ATOM 843 O ASN A 54 0.549 18.033 2.223 1.00 0.00 O ATOM 844 CB ASN A 54 -0.012 20.550 4.208 1.00 0.00 C ATOM 845 CG ASN A 54 -1.366 20.058 3.698 1.00 0.00 C ATOM 846 OD1 ASN A 54 -2.010 20.712 2.886 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.834 18.907 4.155 1.00 0.00 N ATOM 0 H ASN A 54 0.369 21.229 1.782 1.00 0.00 H new ATOM 0 HA ASN A 54 2.102 20.307 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.131 20.198 5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.022 21.639 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.736 18.559 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.292 18.368 4.831 1.00 0.00 H new ATOM 854 N ILE A 55 1.822 17.850 4.069 1.00 0.00 N ATOM 855 CA ILE A 55 1.735 16.383 4.210 1.00 0.00 C ATOM 856 C ILE A 55 0.572 16.018 5.165 1.00 0.00 C ATOM 857 O ILE A 55 -0.155 16.910 5.619 1.00 0.00 O ATOM 858 CB ILE A 55 3.098 15.796 4.662 1.00 0.00 C ATOM 859 CG1 ILE A 55 3.515 16.269 6.071 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.182 16.118 3.618 1.00 0.00 C ATOM 861 CD1 ILE A 55 4.593 15.390 6.711 1.00 0.00 C ATOM 0 H ILE A 55 2.446 18.281 4.751 1.00 0.00 H new ATOM 0 HA ILE A 55 1.513 15.931 3.243 1.00 0.00 H new ATOM 0 HB ILE A 55 2.982 14.714 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.881 17.294 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.637 16.283 6.717 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.136 15.702 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.904 15.681 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.275 17.199 3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.840 15.778 7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.222 14.369 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.486 15.396 6.086 1.00 0.00 H new ATOM 873 N LEU A 56 0.432 14.722 5.495 1.00 0.00 N ATOM 874 CA LEU A 56 -0.463 14.145 6.520 1.00 0.00 C ATOM 875 C LEU A 56 -1.963 14.190 6.139 1.00 0.00 C ATOM 876 O LEU A 56 -2.343 14.686 5.080 1.00 0.00 O ATOM 877 CB LEU A 56 -0.155 14.743 7.925 1.00 0.00 C ATOM 878 CG LEU A 56 1.191 14.321 8.554 1.00 0.00 C ATOM 879 CD1 LEU A 56 1.354 15.010 9.917 1.00 0.00 C ATOM 880 CD2 LEU A 56 1.338 12.803 8.727 1.00 0.00 C ATOM 0 H LEU A 56 0.976 14.000 5.023 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.243 13.079 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.174 15.830 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.958 14.457 8.605 1.00 0.00 H new ATOM 0 HG LEU A 56 1.973 14.633 7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.303 14.714 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.338 16.092 9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.536 14.714 10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.307 12.580 9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.545 12.432 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.267 12.317 7.754 1.00 0.00 H new ATOM 892 N GLU A 57 -2.796 13.580 6.996 1.00 0.00 N ATOM 893 CA GLU A 57 -4.251 13.366 6.869 1.00 0.00 C ATOM 894 C GLU A 57 -4.552 12.196 5.912 1.00 0.00 C ATOM 895 O GLU A 57 -4.696 11.056 6.364 1.00 0.00 O ATOM 896 CB GLU A 57 -5.049 14.645 6.532 1.00 0.00 C ATOM 897 CG GLU A 57 -4.849 15.757 7.570 1.00 0.00 C ATOM 898 CD GLU A 57 -5.811 16.926 7.316 1.00 0.00 C ATOM 899 OE1 GLU A 57 -6.944 16.910 7.857 1.00 0.00 O ATOM 900 OE2 GLU A 57 -5.441 17.874 6.582 1.00 0.00 O ATOM 0 H GLU A 57 -2.442 13.190 7.870 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.611 13.085 7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.745 15.010 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.109 14.401 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.012 15.358 8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.820 16.114 7.532 1.00 0.00 H new ATOM 907 N ASN A 58 -4.632 12.448 4.601 1.00 0.00 N ATOM 908 CA ASN A 58 -4.843 11.409 3.584 1.00 0.00 C ATOM 909 C ASN A 58 -3.605 10.497 3.460 1.00 0.00 C ATOM 910 O ASN A 58 -2.479 10.987 3.487 1.00 0.00 O ATOM 911 CB ASN A 58 -5.186 12.093 2.246 1.00 0.00 C ATOM 912 CG ASN A 58 -5.533 11.079 1.157 1.00 0.00 C ATOM 913 OD1 ASN A 58 -4.657 10.450 0.578 1.00 0.00 O ATOM 914 ND2 ASN A 58 -6.804 10.855 0.882 1.00 0.00 N ATOM 0 H ASN A 58 -4.552 13.387 4.211 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.673 10.767 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.027 12.771 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.340 12.699 1.921 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.059 10.156 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -7.531 11.381 1.367 1.00 0.00 H new ATOM 921 N GLU A 59 -3.782 9.184 3.266 1.00 0.00 N ATOM 922 CA GLU A 59 -2.674 8.211 3.245 1.00 0.00 C ATOM 923 C GLU A 59 -1.602 8.525 2.181 1.00 0.00 C ATOM 924 O GLU A 59 -0.405 8.427 2.457 1.00 0.00 O ATOM 925 CB GLU A 59 -3.248 6.799 3.049 1.00 0.00 C ATOM 926 CG GLU A 59 -2.252 5.684 3.394 1.00 0.00 C ATOM 927 CD GLU A 59 -1.886 5.695 4.884 1.00 0.00 C ATOM 928 OE1 GLU A 59 -2.697 5.229 5.718 1.00 0.00 O ATOM 929 OE2 GLU A 59 -0.778 6.169 5.230 1.00 0.00 O ATOM 0 H GLU A 59 -4.699 8.762 3.118 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.160 8.277 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.137 6.687 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.566 6.684 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.682 4.717 3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.349 5.804 2.796 1.00 0.00 H new ATOM 936 N LEU A 60 -2.001 9.004 0.996 1.00 0.00 N ATOM 937 CA LEU A 60 -1.073 9.414 -0.066 1.00 0.00 C ATOM 938 C LEU A 60 -0.265 10.662 0.333 1.00 0.00 C ATOM 939 O LEU A 60 0.870 10.808 -0.111 1.00 0.00 O ATOM 940 CB LEU A 60 -1.845 9.621 -1.390 1.00 0.00 C ATOM 941 CG LEU A 60 -2.234 8.351 -2.184 1.00 0.00 C ATOM 942 CD1 LEU A 60 -1.002 7.606 -2.728 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.120 7.379 -1.393 1.00 0.00 C ATOM 0 H LEU A 60 -2.983 9.119 0.745 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.346 8.616 -0.217 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.758 10.173 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.240 10.254 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.824 8.720 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.325 6.722 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.444 8.264 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.364 7.304 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.353 6.513 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.592 7.053 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.045 7.880 -1.108 1.00 0.00 H new ATOM 955 N LEU A 61 -0.792 11.513 1.221 1.00 0.00 N ATOM 956 CA LEU A 61 -0.058 12.624 1.844 1.00 0.00 C ATOM 957 C LEU A 61 0.728 12.204 3.103 1.00 0.00 C ATOM 958 O LEU A 61 1.618 12.946 3.515 1.00 0.00 O ATOM 959 CB LEU A 61 -1.029 13.784 2.143 1.00 0.00 C ATOM 960 CG LEU A 61 -1.732 14.393 0.909 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.666 15.519 1.375 1.00 0.00 C ATOM 962 CD2 LEU A 61 -0.742 14.945 -0.130 1.00 0.00 C ATOM 0 H LEU A 61 -1.761 11.448 1.534 1.00 0.00 H new ATOM 0 HA LEU A 61 0.695 12.959 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.791 13.428 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.478 14.574 2.653 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.292 13.595 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.168 15.956 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.410 15.114 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.084 16.287 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.294 15.360 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.134 15.727 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.095 14.140 -0.480 1.00 0.00 H new ATOM 974 N ARG A 62 0.454 11.038 3.710 1.00 0.00 N ATOM 975 CA ARG A 62 1.269 10.461 4.800 1.00 0.00 C ATOM 976 C ARG A 62 2.518 9.742 4.257 1.00 0.00 C ATOM 977 O ARG A 62 3.629 9.998 4.720 1.00 0.00 O ATOM 978 CB ARG A 62 0.445 9.470 5.647 1.00 0.00 C ATOM 979 CG ARG A 62 -0.731 10.094 6.413 1.00 0.00 C ATOM 980 CD ARG A 62 -1.505 9.058 7.238 1.00 0.00 C ATOM 981 NE ARG A 62 -0.776 8.682 8.467 1.00 0.00 N ATOM 982 CZ ARG A 62 -0.177 7.527 8.746 1.00 0.00 C ATOM 983 NH1 ARG A 62 -0.105 6.526 7.894 1.00 0.00 N ATOM 984 NH2 ARG A 62 0.382 7.366 9.928 1.00 0.00 N ATOM 0 H ARG A 62 -0.348 10.460 3.457 1.00 0.00 H new ATOM 0 HA ARG A 62 1.587 11.294 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.059 8.689 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.110 8.986 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.357 10.876 7.074 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.409 10.572 5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.482 9.461 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.681 8.169 6.633 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.726 9.397 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.521 6.614 6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.367 5.662 8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.352 8.121 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.845 6.487 10.158 1.00 0.00 H new ATOM 998 N GLN A 63 2.337 8.828 3.297 1.00 0.00 N ATOM 999 CA GLN A 63 3.392 7.917 2.812 1.00 0.00 C ATOM 1000 C GLN A 63 3.730 8.094 1.322 1.00 0.00 C ATOM 1001 O GLN A 63 4.826 7.722 0.900 1.00 0.00 O ATOM 1002 CB GLN A 63 2.946 6.465 3.073 1.00 0.00 C ATOM 1003 CG GLN A 63 2.868 6.119 4.569 1.00 0.00 C ATOM 1004 CD GLN A 63 2.538 4.640 4.791 1.00 0.00 C ATOM 1005 OE1 GLN A 63 3.402 3.771 4.762 1.00 0.00 O ATOM 1006 NE2 GLN A 63 1.287 4.290 5.008 1.00 0.00 N ATOM 0 H GLN A 63 1.442 8.695 2.825 1.00 0.00 H new ATOM 0 HA GLN A 63 4.303 8.161 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.969 6.304 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.642 5.784 2.584 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.818 6.356 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 63 2.108 6.737 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.556 5.001 5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.049 3.308 5.149 1.00 0.00 H new ATOM 1015 N GLY A 64 2.842 8.680 0.510 1.00 0.00 N ATOM 1016 CA GLY A 64 3.006 8.706 -0.948 1.00 0.00 C ATOM 1017 C GLY A 64 4.146 9.610 -1.414 1.00 0.00 C ATOM 1018 O GLY A 64 4.806 9.282 -2.394 1.00 0.00 O ATOM 0 H GLY A 64 1.997 9.145 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.188 7.692 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.075 9.042 -1.405 1.00 0.00 H new ATOM 1022 N LEU A 65 4.449 10.692 -0.686 1.00 0.00 N ATOM 1023 CA LEU A 65 5.629 11.529 -0.948 1.00 0.00 C ATOM 1024 C LEU A 65 6.934 10.761 -0.687 1.00 0.00 C ATOM 1025 O LEU A 65 7.868 10.847 -1.484 1.00 0.00 O ATOM 1026 CB LEU A 65 5.582 12.814 -0.094 1.00 0.00 C ATOM 1027 CG LEU A 65 4.474 13.854 -0.364 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.146 14.034 -1.851 1.00 0.00 C ATOM 1029 CD2 LEU A 65 3.190 13.536 0.408 1.00 0.00 C ATOM 0 H LEU A 65 3.884 11.013 0.101 1.00 0.00 H new ATOM 0 HA LEU A 65 5.610 11.806 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.502 12.512 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.541 13.319 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 65 4.887 14.797 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.359 14.780 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.038 14.365 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.808 13.085 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.437 14.293 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.818 12.556 0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.400 13.532 1.478 1.00 0.00 H new ATOM 1041 N LYS A 66 6.998 9.968 0.389 1.00 0.00 N ATOM 1042 CA LYS A 66 8.170 9.133 0.705 1.00 0.00 C ATOM 1043 C LYS A 66 8.397 8.074 -0.386 1.00 0.00 C ATOM 1044 O LYS A 66 9.516 7.914 -0.869 1.00 0.00 O ATOM 1045 CB LYS A 66 7.999 8.444 2.073 1.00 0.00 C ATOM 1046 CG LYS A 66 7.756 9.397 3.254 1.00 0.00 C ATOM 1047 CD LYS A 66 7.692 8.592 4.561 1.00 0.00 C ATOM 1048 CE LYS A 66 7.298 9.495 5.741 1.00 0.00 C ATOM 1049 NZ LYS A 66 7.236 8.742 7.029 1.00 0.00 N ATOM 0 H LYS A 66 6.241 9.885 1.067 1.00 0.00 H new ATOM 0 HA LYS A 66 9.041 9.787 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.163 7.747 2.010 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.892 7.854 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.556 10.136 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.825 9.945 3.107 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.969 7.783 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.660 8.132 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.019 10.308 5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.328 9.950 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.967 9.390 7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.530 7.982 6.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.168 8.329 7.235 1.00 0.00 H new ATOM 1063 N GLU A 67 7.330 7.399 -0.819 1.00 0.00 N ATOM 1064 CA GLU A 67 7.396 6.372 -1.866 1.00 0.00 C ATOM 1065 C GLU A 67 7.720 6.958 -3.257 1.00 0.00 C ATOM 1066 O GLU A 67 8.504 6.363 -3.999 1.00 0.00 O ATOM 1067 CB GLU A 67 6.076 5.587 -1.902 1.00 0.00 C ATOM 1068 CG GLU A 67 5.857 4.677 -0.683 1.00 0.00 C ATOM 1069 CD GLU A 67 6.881 3.534 -0.624 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.723 2.539 -1.372 1.00 0.00 O ATOM 1071 OE2 GLU A 67 7.845 3.614 0.172 1.00 0.00 O ATOM 0 H GLU A 67 6.390 7.549 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 67 8.217 5.700 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.248 6.292 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.051 4.978 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.924 5.271 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.851 4.260 -0.719 1.00 0.00 H new ATOM 1078 N TYR A 68 7.179 8.132 -3.609 1.00 0.00 N ATOM 1079 CA TYR A 68 7.451 8.805 -4.890 1.00 0.00 C ATOM 1080 C TYR A 68 8.888 9.354 -4.975 1.00 0.00 C ATOM 1081 O TYR A 68 9.563 9.174 -5.988 1.00 0.00 O ATOM 1082 CB TYR A 68 6.422 9.932 -5.084 1.00 0.00 C ATOM 1083 CG TYR A 68 6.441 10.601 -6.449 1.00 0.00 C ATOM 1084 CD1 TYR A 68 7.258 11.726 -6.678 1.00 0.00 C ATOM 1085 CD2 TYR A 68 5.603 10.123 -7.476 1.00 0.00 C ATOM 1086 CE1 TYR A 68 7.225 12.386 -7.921 1.00 0.00 C ATOM 1087 CE2 TYR A 68 5.566 10.779 -8.722 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.370 11.917 -8.947 1.00 0.00 C ATOM 1089 OH TYR A 68 6.322 12.551 -10.150 1.00 0.00 O ATOM 0 H TYR A 68 6.535 8.647 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 68 7.359 8.071 -5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.426 9.526 -4.911 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.593 10.693 -4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.912 12.083 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.988 9.252 -7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.851 13.249 -8.092 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.921 10.411 -9.506 1.00 0.00 H new ATOM 0 HH TYR A 68 5.683 12.094 -10.735 1.00 0.00 H new ATOM 1099 N SER A 69 9.368 10.011 -3.913 1.00 0.00 N ATOM 1100 CA SER A 69 10.705 10.633 -3.876 1.00 0.00 C ATOM 1101 C SER A 69 11.850 9.686 -3.459 1.00 0.00 C ATOM 1102 O SER A 69 13.015 10.001 -3.691 1.00 0.00 O ATOM 1103 CB SER A 69 10.692 11.858 -2.950 1.00 0.00 C ATOM 1104 OG SER A 69 10.443 11.503 -1.598 1.00 0.00 O ATOM 0 H SER A 69 8.840 10.129 -3.048 1.00 0.00 H new ATOM 0 HA SER A 69 10.915 10.922 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.650 12.374 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.928 12.559 -3.287 1.00 0.00 H new ATOM 0 HG SER A 69 9.477 11.500 -1.433 1.00 0.00 H new ATOM 1110 N SER A 70 11.535 8.547 -2.830 1.00 0.00 N ATOM 1111 CA SER A 70 12.467 7.584 -2.194 1.00 0.00 C ATOM 1112 C SER A 70 13.137 8.122 -0.908 1.00 0.00 C ATOM 1113 O SER A 70 13.847 7.380 -0.224 1.00 0.00 O ATOM 1114 CB SER A 70 13.533 7.055 -3.178 1.00 0.00 C ATOM 1115 OG SER A 70 12.947 6.518 -4.359 1.00 0.00 O ATOM 0 H SER A 70 10.564 8.247 -2.741 1.00 0.00 H new ATOM 0 HA SER A 70 11.835 6.748 -1.895 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.213 7.864 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.130 6.286 -2.687 1.00 0.00 H new ATOM 0 HG SER A 70 13.653 6.195 -4.957 1.00 0.00 H new ATOM 1121 N TRP A 71 12.919 9.395 -0.554 1.00 0.00 N ATOM 1122 CA TRP A 71 13.485 10.040 0.631 1.00 0.00 C ATOM 1123 C TRP A 71 12.773 9.575 1.924 1.00 0.00 C ATOM 1124 O TRP A 71 11.538 9.658 1.995 1.00 0.00 O ATOM 1125 CB TRP A 71 13.371 11.561 0.452 1.00 0.00 C ATOM 1126 CG TRP A 71 13.798 12.394 1.623 1.00 0.00 C ATOM 1127 CD1 TRP A 71 12.966 13.129 2.396 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.134 12.600 2.184 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.683 13.789 3.368 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.020 13.467 3.315 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.432 12.145 1.856 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.126 13.836 4.096 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.549 12.510 2.633 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.397 13.343 3.757 1.00 0.00 C ATOM 0 H TRP A 71 12.327 10.020 -1.101 1.00 0.00 H new ATOM 0 HA TRP A 71 14.532 9.757 0.734 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.969 11.851 -0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.334 11.803 0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 71 11.895 13.189 2.269 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.275 14.436 4.043 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.569 11.507 0.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.002 14.490 4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.530 12.148 2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.256 13.603 4.358 1.00 0.00 H new ATOM 1145 N PRO A 72 13.509 9.103 2.953 1.00 0.00 N ATOM 1146 CA PRO A 72 12.943 8.785 4.258 1.00 0.00 C ATOM 1147 C PRO A 72 12.703 10.072 5.062 1.00 0.00 C ATOM 1148 O PRO A 72 13.513 11.000 5.005 1.00 0.00 O ATOM 1149 CB PRO A 72 13.970 7.872 4.934 1.00 0.00 C ATOM 1150 CG PRO A 72 15.299 8.370 4.361 1.00 0.00 C ATOM 1151 CD PRO A 72 14.934 8.797 2.940 1.00 0.00 C ATOM 0 HA PRO A 72 11.974 8.292 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.939 7.963 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.796 6.822 4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.700 9.202 4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.056 7.586 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.515 9.667 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.154 8.002 2.228 1.00 0.00 H new ATOM 1159 N THR A 73 11.606 10.101 5.834 1.00 0.00 N ATOM 1160 CA THR A 73 11.156 11.221 6.696 1.00 0.00 C ATOM 1161 C THR A 73 10.786 12.479 5.882 1.00 0.00 C ATOM 1162 O THR A 73 10.504 12.390 4.687 1.00 0.00 O ATOM 1163 CB THR A 73 12.127 11.493 7.868 1.00 0.00 C ATOM 1164 OG1 THR A 73 13.304 12.098 7.400 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.502 10.224 8.637 1.00 0.00 C ATOM 0 H THR A 73 10.970 9.305 5.881 1.00 0.00 H new ATOM 0 HA THR A 73 10.226 10.904 7.167 1.00 0.00 H new ATOM 0 HB THR A 73 11.599 12.159 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.370 11.979 6.430 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.185 10.478 9.447 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.602 9.770 9.051 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.987 9.519 7.961 1.00 0.00 H new ATOM 1173 N PHE A 74 10.741 13.640 6.545 1.00 0.00 N ATOM 1174 CA PHE A 74 10.341 14.947 6.005 1.00 0.00 C ATOM 1175 C PHE A 74 11.151 16.085 6.672 1.00 0.00 C ATOM 1176 O PHE A 74 11.705 15.860 7.757 1.00 0.00 O ATOM 1177 CB PHE A 74 8.835 15.138 6.264 1.00 0.00 C ATOM 1178 CG PHE A 74 7.930 14.269 5.415 1.00 0.00 C ATOM 1179 CD1 PHE A 74 7.886 14.459 4.021 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.086 13.318 6.018 1.00 0.00 C ATOM 1181 CE1 PHE A 74 7.002 13.701 3.236 1.00 0.00 C ATOM 1182 CE2 PHE A 74 6.177 12.586 5.236 1.00 0.00 C ATOM 1183 CZ PHE A 74 6.139 12.771 3.843 1.00 0.00 C ATOM 0 H PHE A 74 10.998 13.697 7.531 1.00 0.00 H new ATOM 0 HA PHE A 74 10.543 14.980 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.632 14.932 7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.580 16.183 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.532 15.188 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.137 13.151 7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.985 13.832 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 74 5.507 11.881 5.705 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.448 12.200 3.240 1.00 0.00 H new ATOM 1193 N PRO A 75 11.191 17.315 6.107 1.00 0.00 N ATOM 1194 CA PRO A 75 10.655 17.762 4.810 1.00 0.00 C ATOM 1195 C PRO A 75 11.273 17.073 3.583 1.00 0.00 C ATOM 1196 O PRO A 75 12.259 16.351 3.705 1.00 0.00 O ATOM 1197 CB PRO A 75 10.937 19.274 4.758 1.00 0.00 C ATOM 1198 CG PRO A 75 10.965 19.674 6.228 1.00 0.00 C ATOM 1199 CD PRO A 75 11.671 18.477 6.849 1.00 0.00 C ATOM 0 HA PRO A 75 9.597 17.505 4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.884 19.490 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.162 19.810 4.210 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.511 20.603 6.391 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.964 19.817 6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.754 18.574 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.437 18.390 7.910 1.00 0.00 H new ATOM 1207 N GLN A 76 10.710 17.338 2.397 1.00 0.00 N ATOM 1208 CA GLN A 76 11.270 16.947 1.097 1.00 0.00 C ATOM 1209 C GLN A 76 11.175 18.153 0.143 1.00 0.00 C ATOM 1210 O GLN A 76 10.080 18.662 -0.106 1.00 0.00 O ATOM 1211 CB GLN A 76 10.498 15.729 0.538 1.00 0.00 C ATOM 1212 CG GLN A 76 11.256 14.822 -0.458 1.00 0.00 C ATOM 1213 CD GLN A 76 12.167 15.542 -1.449 1.00 0.00 C ATOM 1214 OE1 GLN A 76 13.370 15.648 -1.264 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.658 16.086 -2.529 1.00 0.00 N ATOM 0 H GLN A 76 9.828 17.844 2.313 1.00 0.00 H new ATOM 0 HA GLN A 76 12.315 16.657 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.176 15.115 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.596 16.094 0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.857 14.113 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.525 14.241 -1.021 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.657 16.015 -2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.263 16.580 -3.185 1.00 0.00 H new ATOM 1224 N LEU A 77 12.309 18.611 -0.399 1.00 0.00 N ATOM 1225 CA LEU A 77 12.372 19.695 -1.384 1.00 0.00 C ATOM 1226 C LEU A 77 12.503 19.100 -2.796 1.00 0.00 C ATOM 1227 O LEU A 77 13.404 18.312 -3.082 1.00 0.00 O ATOM 1228 CB LEU A 77 13.534 20.629 -0.991 1.00 0.00 C ATOM 1229 CG LEU A 77 13.575 22.022 -1.655 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.685 22.834 -0.981 1.00 0.00 C ATOM 1231 CD2 LEU A 77 13.860 22.004 -3.163 1.00 0.00 C ATOM 0 H LEU A 77 13.225 18.231 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 77 11.460 20.292 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.503 20.771 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.470 20.118 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 77 12.582 22.453 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.736 23.825 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.470 22.930 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.640 22.325 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.870 23.025 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.829 21.540 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.083 21.434 -3.673 1.00 0.00 H new ATOM 1243 N TYR A 78 11.575 19.452 -3.685 1.00 0.00 N ATOM 1244 CA TYR A 78 11.524 19.016 -5.085 1.00 0.00 C ATOM 1245 C TYR A 78 11.929 20.159 -6.031 1.00 0.00 C ATOM 1246 O TYR A 78 11.423 21.280 -5.904 1.00 0.00 O ATOM 1247 CB TYR A 78 10.100 18.566 -5.448 1.00 0.00 C ATOM 1248 CG TYR A 78 9.494 17.431 -4.644 1.00 0.00 C ATOM 1249 CD1 TYR A 78 9.054 17.639 -3.322 1.00 0.00 C ATOM 1250 CD2 TYR A 78 9.318 16.168 -5.240 1.00 0.00 C ATOM 1251 CE1 TYR A 78 8.473 16.586 -2.589 1.00 0.00 C ATOM 1252 CE2 TYR A 78 8.724 15.117 -4.514 1.00 0.00 C ATOM 1253 CZ TYR A 78 8.312 15.316 -3.182 1.00 0.00 C ATOM 1254 OH TYR A 78 7.779 14.285 -2.476 1.00 0.00 O ATOM 0 H TYR A 78 10.805 20.075 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 78 12.222 18.186 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.442 19.430 -5.358 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.098 18.272 -6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.163 18.613 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.640 16.004 -6.258 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.150 16.751 -1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.584 14.153 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 78 7.742 13.486 -3.042 1.00 0.00 H new ATOM 1264 N ILE A 79 12.780 19.864 -7.017 1.00 0.00 N ATOM 1265 CA ILE A 79 13.168 20.779 -8.105 1.00 0.00 C ATOM 1266 C ILE A 79 13.027 20.105 -9.478 1.00 0.00 C ATOM 1267 O ILE A 79 13.746 19.163 -9.795 1.00 0.00 O ATOM 1268 CB ILE A 79 14.591 21.360 -7.903 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.653 20.332 -7.445 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.525 22.551 -6.934 1.00 0.00 C ATOM 1271 CD1 ILE A 79 17.087 20.873 -7.522 1.00 0.00 C ATOM 0 H ILE A 79 13.235 18.954 -7.087 1.00 0.00 H new ATOM 0 HA ILE A 79 12.476 21.621 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 79 14.930 21.686 -8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.439 20.030 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.575 19.438 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.525 22.960 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.874 23.321 -7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 79 14.129 22.218 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.784 20.105 -7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.317 21.149 -8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.180 21.750 -6.882 1.00 0.00 H new ATOM 1283 N ASP A 80 12.075 20.577 -10.286 1.00 0.00 N ATOM 1284 CA ASP A 80 11.850 20.198 -11.695 1.00 0.00 C ATOM 1285 C ASP A 80 11.586 18.682 -11.920 1.00 0.00 C ATOM 1286 O ASP A 80 11.705 18.181 -13.040 1.00 0.00 O ATOM 1287 CB ASP A 80 13.004 20.757 -12.551 1.00 0.00 C ATOM 1288 CG ASP A 80 12.635 20.912 -14.037 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.699 21.691 -14.344 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.321 20.314 -14.898 1.00 0.00 O ATOM 0 H ASP A 80 11.401 21.271 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 80 10.914 20.653 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.305 21.727 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.866 20.095 -12.464 1.00 0.00 H new ATOM 1295 N GLY A 81 11.230 17.948 -10.852 1.00 0.00 N ATOM 1296 CA GLY A 81 11.030 16.490 -10.828 1.00 0.00 C ATOM 1297 C GLY A 81 12.160 15.700 -10.150 1.00 0.00 C ATOM 1298 O GLY A 81 12.036 14.484 -10.009 1.00 0.00 O ATOM 0 H GLY A 81 11.066 18.375 -9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.094 16.273 -10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.920 16.135 -11.853 1.00 0.00 H new ATOM 1302 N GLU A 82 13.235 16.365 -9.715 1.00 0.00 N ATOM 1303 CA GLU A 82 14.342 15.785 -8.947 1.00 0.00 C ATOM 1304 C GLU A 82 14.216 16.111 -7.443 1.00 0.00 C ATOM 1305 O GLU A 82 13.677 17.151 -7.052 1.00 0.00 O ATOM 1306 CB GLU A 82 15.677 16.278 -9.537 1.00 0.00 C ATOM 1307 CG GLU A 82 16.898 15.547 -8.969 1.00 0.00 C ATOM 1308 CD GLU A 82 18.150 15.833 -9.808 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.829 16.858 -9.565 1.00 0.00 O ATOM 1310 OE2 GLU A 82 18.468 15.028 -10.717 1.00 0.00 O ATOM 0 H GLU A 82 13.363 17.361 -9.895 1.00 0.00 H new ATOM 0 HA GLU A 82 14.306 14.698 -9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.657 16.150 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.779 17.346 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.067 15.860 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.707 14.474 -8.949 1.00 0.00 H new ATOM 1317 N PHE A 83 14.708 15.199 -6.598 1.00 0.00 N ATOM 1318 CA PHE A 83 14.570 15.236 -5.137 1.00 0.00 C ATOM 1319 C PHE A 83 15.877 15.700 -4.470 1.00 0.00 C ATOM 1320 O PHE A 83 16.958 15.194 -4.793 1.00 0.00 O ATOM 1321 CB PHE A 83 14.159 13.835 -4.640 1.00 0.00 C ATOM 1322 CG PHE A 83 13.112 13.155 -5.505 1.00 0.00 C ATOM 1323 CD1 PHE A 83 11.837 13.730 -5.646 1.00 0.00 C ATOM 1324 CD2 PHE A 83 13.437 11.998 -6.241 1.00 0.00 C ATOM 1325 CE1 PHE A 83 10.893 13.154 -6.516 1.00 0.00 C ATOM 1326 CE2 PHE A 83 12.491 11.425 -7.113 1.00 0.00 C ATOM 1327 CZ PHE A 83 11.219 12.005 -7.255 1.00 0.00 C ATOM 0 H PHE A 83 15.232 14.386 -6.923 1.00 0.00 H new ATOM 0 HA PHE A 83 13.799 15.956 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 83 15.045 13.202 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.776 13.919 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.581 14.617 -5.085 1.00 0.00 H new ATOM 0 HD2 PHE A 83 14.414 11.550 -6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.913 13.597 -6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.744 10.537 -7.674 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.496 11.570 -7.929 1.00 0.00 H new ATOM 1337 N PHE A 84 15.781 16.649 -3.534 1.00 0.00 N ATOM 1338 CA PHE A 84 16.932 17.269 -2.870 1.00 0.00 C ATOM 1339 C PHE A 84 17.229 16.678 -1.481 1.00 0.00 C ATOM 1340 O PHE A 84 18.381 16.690 -1.038 1.00 0.00 O ATOM 1341 CB PHE A 84 16.641 18.771 -2.736 1.00 0.00 C ATOM 1342 CG PHE A 84 17.872 19.650 -2.760 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.622 19.881 -1.590 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.272 20.237 -3.973 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.775 20.680 -1.643 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.418 21.047 -4.022 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.174 21.261 -2.859 1.00 0.00 C ATOM 0 H PHE A 84 14.885 17.015 -3.211 1.00 0.00 H new ATOM 0 HA PHE A 84 17.816 17.076 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.977 19.074 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.105 18.943 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.310 19.444 -0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.696 20.064 -4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.356 20.848 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.717 21.505 -4.953 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.063 21.873 -2.899 1.00 0.00 H new ATOM 1357 N GLY A 85 16.199 16.176 -0.789 1.00 0.00 N ATOM 1358 CA GLY A 85 16.238 15.768 0.619 1.00 0.00 C ATOM 1359 C GLY A 85 15.580 16.812 1.532 1.00 0.00 C ATOM 1360 O GLY A 85 14.725 17.592 1.099 1.00 0.00 O ATOM 0 H GLY A 85 15.281 16.038 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.729 14.811 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.273 15.617 0.926 1.00 0.00 H new ATOM 1364 N GLY A 86 15.965 16.800 2.813 1.00 0.00 N ATOM 1365 CA GLY A 86 15.413 17.669 3.860 1.00 0.00 C ATOM 1366 C GLY A 86 16.096 19.033 3.965 1.00 0.00 C ATOM 1367 O GLY A 86 17.166 19.262 3.400 1.00 0.00 O ATOM 0 H GLY A 86 16.688 16.169 3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.351 17.821 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.494 17.159 4.820 1.00 0.00 H new ATOM 1371 N CYS A 87 15.488 19.934 4.743 1.00 0.00 N ATOM 1372 CA CYS A 87 15.906 21.339 4.876 1.00 0.00 C ATOM 1373 C CYS A 87 17.357 21.533 5.349 1.00 0.00 C ATOM 1374 O CYS A 87 18.032 22.454 4.894 1.00 0.00 O ATOM 1375 CB CYS A 87 14.911 22.033 5.824 1.00 0.00 C ATOM 1376 SG CYS A 87 13.319 22.240 4.966 1.00 0.00 S ATOM 0 H CYS A 87 14.673 19.705 5.312 1.00 0.00 H new ATOM 0 HA CYS A 87 15.891 21.789 3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.777 21.440 6.728 1.00 0.00 H new ATOM 0 HB3 CYS A 87 15.300 23.003 6.134 1.00 0.00 H new ATOM 0 HG CYS A 87 12.403 22.576 5.825 1.00 0.00 H new ATOM 1382 N ASP A 88 17.871 20.656 6.213 1.00 0.00 N ATOM 1383 CA ASP A 88 19.267 20.713 6.670 1.00 0.00 C ATOM 1384 C ASP A 88 20.259 20.554 5.501 1.00 0.00 C ATOM 1385 O ASP A 88 21.228 21.306 5.400 1.00 0.00 O ATOM 1386 CB ASP A 88 19.482 19.638 7.740 1.00 0.00 C ATOM 1387 CG ASP A 88 20.890 19.706 8.354 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.215 20.732 8.998 1.00 0.00 O ATOM 1389 OD2 ASP A 88 21.653 18.720 8.216 1.00 0.00 O ATOM 0 H ASP A 88 17.336 19.887 6.617 1.00 0.00 H new ATOM 0 HA ASP A 88 19.460 21.695 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.738 19.757 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.326 18.653 7.300 1.00 0.00 H new ATOM 1394 N ILE A 89 19.962 19.641 4.563 1.00 0.00 N ATOM 1395 CA ILE A 89 20.738 19.461 3.323 1.00 0.00 C ATOM 1396 C ILE A 89 20.640 20.726 2.455 1.00 0.00 C ATOM 1397 O ILE A 89 21.662 21.182 1.942 1.00 0.00 O ATOM 1398 CB ILE A 89 20.294 18.180 2.564 1.00 0.00 C ATOM 1399 CG1 ILE A 89 20.533 16.933 3.450 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.036 18.037 1.219 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.062 15.609 2.838 1.00 0.00 C ATOM 0 H ILE A 89 19.171 19.002 4.643 1.00 0.00 H new ATOM 0 HA ILE A 89 21.788 19.316 3.577 1.00 0.00 H new ATOM 0 HB ILE A 89 19.229 18.265 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 89 21.599 16.858 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.023 17.078 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.702 17.131 0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.822 18.902 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.109 17.977 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.271 14.793 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 89 18.990 15.657 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 89 20.590 15.433 1.901 1.00 0.00 H new ATOM 1413 N THR A 90 19.453 21.348 2.358 1.00 0.00 N ATOM 1414 CA THR A 90 19.244 22.622 1.644 1.00 0.00 C ATOM 1415 C THR A 90 20.066 23.752 2.256 1.00 0.00 C ATOM 1416 O THR A 90 20.710 24.486 1.515 1.00 0.00 O ATOM 1417 CB THR A 90 17.761 23.001 1.643 1.00 0.00 C ATOM 1418 OG1 THR A 90 16.998 21.892 1.233 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.463 24.180 0.716 1.00 0.00 C ATOM 0 H THR A 90 18.601 20.977 2.778 1.00 0.00 H new ATOM 0 HA THR A 90 19.579 22.477 0.617 1.00 0.00 H new ATOM 0 HB THR A 90 17.499 23.300 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.047 22.075 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.398 24.410 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.033 25.051 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.745 23.921 -0.304 1.00 0.00 H new ATOM 1427 N VAL A 91 20.090 23.875 3.586 1.00 0.00 N ATOM 1428 CA VAL A 91 20.902 24.884 4.292 1.00 0.00 C ATOM 1429 C VAL A 91 22.407 24.671 4.044 1.00 0.00 C ATOM 1430 O VAL A 91 23.110 25.643 3.765 1.00 0.00 O ATOM 1431 CB VAL A 91 20.575 24.915 5.806 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.572 25.760 6.622 1.00 0.00 C ATOM 1433 CG2 VAL A 91 19.167 25.493 6.038 1.00 0.00 C ATOM 0 H VAL A 91 19.547 23.278 4.210 1.00 0.00 H new ATOM 0 HA VAL A 91 20.640 25.859 3.882 1.00 0.00 H new ATOM 0 HB VAL A 91 20.639 23.881 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.288 25.742 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.575 25.349 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.559 26.788 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.952 25.508 7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.121 26.508 5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.430 24.872 5.528 1.00 0.00 H new ATOM 1443 N GLU A 92 22.910 23.430 4.095 1.00 0.00 N ATOM 1444 CA GLU A 92 24.314 23.135 3.775 1.00 0.00 C ATOM 1445 C GLU A 92 24.642 23.424 2.297 1.00 0.00 C ATOM 1446 O GLU A 92 25.685 24.011 2.000 1.00 0.00 O ATOM 1447 CB GLU A 92 24.662 21.675 4.105 1.00 0.00 C ATOM 1448 CG GLU A 92 24.733 21.409 5.612 1.00 0.00 C ATOM 1449 CD GLU A 92 25.318 20.020 5.908 1.00 0.00 C ATOM 1450 OE1 GLU A 92 24.787 19.001 5.406 1.00 0.00 O ATOM 1451 OE2 GLU A 92 26.327 19.937 6.649 1.00 0.00 O ATOM 0 H GLU A 92 22.362 22.610 4.356 1.00 0.00 H new ATOM 0 HA GLU A 92 24.921 23.796 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 92 23.915 21.018 3.659 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.620 21.423 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.346 22.173 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 92 23.735 21.485 6.044 1.00 0.00 H new ATOM 1458 N ALA A 93 23.746 23.062 1.373 1.00 0.00 N ATOM 1459 CA ALA A 93 23.915 23.299 -0.058 1.00 0.00 C ATOM 1460 C ALA A 93 23.867 24.788 -0.434 1.00 0.00 C ATOM 1461 O ALA A 93 24.538 25.207 -1.378 1.00 0.00 O ATOM 1462 CB ALA A 93 22.854 22.483 -0.799 1.00 0.00 C ATOM 0 H ALA A 93 22.872 22.590 1.605 1.00 0.00 H new ATOM 0 HA ALA A 93 24.912 22.975 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.957 22.642 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.986 21.425 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.862 22.801 -0.479 1.00 0.00 H new ATOM 1468 N TYR A 94 23.109 25.613 0.289 1.00 0.00 N ATOM 1469 CA TYR A 94 23.134 27.070 0.145 1.00 0.00 C ATOM 1470 C TYR A 94 24.470 27.673 0.619 1.00 0.00 C ATOM 1471 O TYR A 94 24.978 28.610 0.000 1.00 0.00 O ATOM 1472 CB TYR A 94 21.948 27.659 0.924 1.00 0.00 C ATOM 1473 CG TYR A 94 21.787 29.162 0.777 1.00 0.00 C ATOM 1474 CD1 TYR A 94 21.471 29.722 -0.477 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.950 30.002 1.897 1.00 0.00 C ATOM 1476 CE1 TYR A 94 21.291 31.113 -0.607 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.774 31.394 1.773 1.00 0.00 C ATOM 1478 CZ TYR A 94 21.436 31.954 0.520 1.00 0.00 C ATOM 1479 OH TYR A 94 21.252 33.297 0.395 1.00 0.00 O ATOM 0 H TYR A 94 22.453 25.286 0.999 1.00 0.00 H new ATOM 0 HA TYR A 94 23.044 27.325 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.032 27.173 0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 94 22.068 27.420 1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 94 21.367 29.083 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.211 29.576 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 94 21.042 31.537 -1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.897 32.033 2.635 1.00 0.00 H new ATOM 0 HH TYR A 94 21.388 33.728 1.264 1.00 0.00 H new ATOM 1489 N LYS A 95 25.075 27.107 1.671 1.00 0.00 N ATOM 1490 CA LYS A 95 26.392 27.523 2.182 1.00 0.00 C ATOM 1491 C LYS A 95 27.565 27.111 1.267 1.00 0.00 C ATOM 1492 O LYS A 95 28.540 27.860 1.168 1.00 0.00 O ATOM 1493 CB LYS A 95 26.573 26.993 3.614 1.00 0.00 C ATOM 1494 CG LYS A 95 25.681 27.743 4.617 1.00 0.00 C ATOM 1495 CD LYS A 95 25.820 27.154 6.026 1.00 0.00 C ATOM 1496 CE LYS A 95 24.923 27.921 7.009 1.00 0.00 C ATOM 1497 NZ LYS A 95 25.104 27.447 8.409 1.00 0.00 N ATOM 0 H LYS A 95 24.661 26.339 2.199 1.00 0.00 H new ATOM 0 HA LYS A 95 26.412 28.613 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 95 26.336 25.930 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 95 27.617 27.094 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.953 28.798 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 95 24.641 27.686 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.544 26.099 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.859 27.209 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 95 25.150 28.986 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.880 27.802 6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 24.482 27.989 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.863 26.437 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.094 27.584 8.697 1.00 0.00 H new ATOM 1511 N SER A 96 27.487 25.980 0.557 1.00 0.00 N ATOM 1512 CA SER A 96 28.512 25.555 -0.412 1.00 0.00 C ATOM 1513 C SER A 96 28.286 26.104 -1.838 1.00 0.00 C ATOM 1514 O SER A 96 29.203 26.066 -2.665 1.00 0.00 O ATOM 1515 CB SER A 96 28.547 24.020 -0.449 1.00 0.00 C ATOM 1516 OG SER A 96 27.279 23.490 -0.792 1.00 0.00 O ATOM 0 H SER A 96 26.707 25.327 0.637 1.00 0.00 H new ATOM 0 HA SER A 96 29.463 25.968 -0.076 1.00 0.00 H new ATOM 0 HB2 SER A 96 29.292 23.687 -1.172 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.854 23.636 0.524 1.00 0.00 H new ATOM 0 HG SER A 96 27.343 22.516 -0.875 1.00 0.00 H new ATOM 1522 N GLY A 97 27.079 26.609 -2.145 1.00 0.00 N ATOM 1523 CA GLY A 97 26.668 27.083 -3.479 1.00 0.00 C ATOM 1524 C GLY A 97 26.047 25.996 -4.361 1.00 0.00 C ATOM 1525 O GLY A 97 25.640 26.275 -5.488 1.00 0.00 O ATOM 0 H GLY A 97 26.338 26.702 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.950 27.894 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.537 27.499 -3.989 1.00 0.00 H new ATOM 1529 N GLU A 98 25.922 24.772 -3.849 1.00 0.00 N ATOM 1530 CA GLU A 98 25.344 23.621 -4.554 1.00 0.00 C ATOM 1531 C GLU A 98 23.831 23.782 -4.776 1.00 0.00 C ATOM 1532 O GLU A 98 23.306 23.310 -5.786 1.00 0.00 O ATOM 1533 CB GLU A 98 25.644 22.341 -3.758 1.00 0.00 C ATOM 1534 CG GLU A 98 27.149 22.057 -3.658 1.00 0.00 C ATOM 1535 CD GLU A 98 27.423 20.836 -2.769 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.579 21.020 -1.537 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.492 19.698 -3.292 1.00 0.00 O ATOM 0 H GLU A 98 26.229 24.544 -2.903 1.00 0.00 H new ATOM 0 HA GLU A 98 25.801 23.557 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.226 22.433 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.148 21.495 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.557 21.884 -4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.661 22.929 -3.251 1.00 0.00 H new ATOM 1544 N LEU A 99 23.122 24.485 -3.879 1.00 0.00 N ATOM 1545 CA LEU A 99 21.711 24.831 -4.077 1.00 0.00 C ATOM 1546 C LEU A 99 21.569 25.826 -5.229 1.00 0.00 C ATOM 1547 O LEU A 99 20.758 25.601 -6.120 1.00 0.00 O ATOM 1548 CB LEU A 99 21.116 25.382 -2.766 1.00 0.00 C ATOM 1549 CG LEU A 99 19.605 25.698 -2.838 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.759 24.431 -3.024 1.00 0.00 C ATOM 1551 CD2 LEU A 99 19.169 26.422 -1.560 1.00 0.00 C ATOM 0 H LEU A 99 23.511 24.827 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 99 21.150 23.936 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.286 24.657 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.653 26.290 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 99 19.443 26.336 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.704 24.701 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 99 19.046 23.934 -3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.925 23.756 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 99 18.103 26.644 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 99 19.365 25.786 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.729 27.352 -1.460 1.00 0.00 H new ATOM 1563 N GLN A 100 22.380 26.890 -5.252 1.00 0.00 N ATOM 1564 CA GLN A 100 22.390 27.878 -6.337 1.00 0.00 C ATOM 1565 C GLN A 100 22.646 27.203 -7.690 1.00 0.00 C ATOM 1566 O GLN A 100 21.880 27.429 -8.625 1.00 0.00 O ATOM 1567 CB GLN A 100 23.430 28.970 -6.014 1.00 0.00 C ATOM 1568 CG GLN A 100 23.539 30.060 -7.096 1.00 0.00 C ATOM 1569 CD GLN A 100 24.535 31.156 -6.701 1.00 0.00 C ATOM 1570 OE1 GLN A 100 25.636 31.255 -7.231 1.00 0.00 O ATOM 1571 NE2 GLN A 100 24.204 32.013 -5.752 1.00 0.00 N ATOM 0 H GLN A 100 23.053 27.091 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 100 21.412 28.353 -6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.170 29.438 -5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 100 24.406 28.502 -5.882 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.851 29.608 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 100 22.558 30.504 -7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.292 31.946 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.860 32.742 -5.471 1.00 0.00 H new ATOM 1580 N GLU A 101 23.653 26.326 -7.773 1.00 0.00 N ATOM 1581 CA GLU A 101 23.960 25.559 -8.983 1.00 0.00 C ATOM 1582 C GLU A 101 22.760 24.711 -9.444 1.00 0.00 C ATOM 1583 O GLU A 101 22.353 24.791 -10.603 1.00 0.00 O ATOM 1584 CB GLU A 101 25.189 24.675 -8.704 1.00 0.00 C ATOM 1585 CG GLU A 101 25.742 23.949 -9.941 1.00 0.00 C ATOM 1586 CD GLU A 101 26.345 24.914 -10.975 1.00 0.00 C ATOM 1587 OE1 GLU A 101 27.255 25.702 -10.620 1.00 0.00 O ATOM 1588 OE2 GLU A 101 25.947 24.861 -12.163 1.00 0.00 O ATOM 0 H GLU A 101 24.282 26.128 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 101 24.179 26.250 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.978 25.295 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.925 23.933 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.504 23.236 -9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.942 23.376 -10.409 1.00 0.00 H new ATOM 1595 N GLN A 102 22.153 23.922 -8.546 1.00 0.00 N ATOM 1596 CA GLN A 102 21.041 23.035 -8.902 1.00 0.00 C ATOM 1597 C GLN A 102 19.727 23.787 -9.162 1.00 0.00 C ATOM 1598 O GLN A 102 18.993 23.407 -10.070 1.00 0.00 O ATOM 1599 CB GLN A 102 20.862 21.955 -7.825 1.00 0.00 C ATOM 1600 CG GLN A 102 22.039 20.958 -7.815 1.00 0.00 C ATOM 1601 CD GLN A 102 22.029 20.067 -6.573 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.634 18.908 -6.597 1.00 0.00 O ATOM 1603 NE2 GLN A 102 22.470 20.581 -5.444 1.00 0.00 N ATOM 0 H GLN A 102 22.417 23.882 -7.562 1.00 0.00 H new ATOM 0 HA GLN A 102 21.301 22.558 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.777 22.428 -6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.931 21.417 -8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 102 21.993 20.335 -8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 102 22.979 21.508 -7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 102 22.800 21.546 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 102 22.481 20.015 -4.596 1.00 0.00 H new ATOM 1612 N VAL A 103 19.427 24.857 -8.421 1.00 0.00 N ATOM 1613 CA VAL A 103 18.230 25.695 -8.633 1.00 0.00 C ATOM 1614 C VAL A 103 18.337 26.489 -9.940 1.00 0.00 C ATOM 1615 O VAL A 103 17.341 26.597 -10.653 1.00 0.00 O ATOM 1616 CB VAL A 103 17.965 26.628 -7.428 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.870 27.679 -7.687 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.522 25.801 -6.208 1.00 0.00 C ATOM 0 H VAL A 103 20.011 25.174 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 103 17.373 25.026 -8.718 1.00 0.00 H new ATOM 0 HB VAL A 103 18.906 27.149 -7.252 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.740 28.296 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.162 28.310 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.931 27.177 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.338 26.467 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.608 25.259 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 103 18.306 25.091 -5.945 1.00 0.00 H new ATOM 1628 N GLU A 104 19.519 26.997 -10.301 1.00 0.00 N ATOM 1629 CA GLU A 104 19.742 27.596 -11.620 1.00 0.00 C ATOM 1630 C GLU A 104 19.509 26.564 -12.737 1.00 0.00 C ATOM 1631 O GLU A 104 18.753 26.830 -13.672 1.00 0.00 O ATOM 1632 CB GLU A 104 21.147 28.218 -11.695 1.00 0.00 C ATOM 1633 CG GLU A 104 21.367 28.975 -13.010 1.00 0.00 C ATOM 1634 CD GLU A 104 22.697 29.740 -12.998 1.00 0.00 C ATOM 1635 OE1 GLU A 104 22.735 30.888 -12.493 1.00 0.00 O ATOM 1636 OE2 GLU A 104 23.713 29.208 -13.505 1.00 0.00 O ATOM 0 H GLU A 104 20.340 27.005 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 104 19.018 28.397 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.288 28.899 -10.856 1.00 0.00 H new ATOM 0 HB3 GLU A 104 21.897 27.433 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 104 21.357 28.272 -13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.545 29.673 -13.172 1.00 0.00 H new ATOM 1643 N LYS A 105 20.054 25.349 -12.605 1.00 0.00 N ATOM 1644 CA LYS A 105 19.793 24.252 -13.547 1.00 0.00 C ATOM 1645 C LYS A 105 18.306 23.850 -13.596 1.00 0.00 C ATOM 1646 O LYS A 105 17.791 23.578 -14.678 1.00 0.00 O ATOM 1647 CB LYS A 105 20.702 23.056 -13.211 1.00 0.00 C ATOM 1648 CG LYS A 105 22.167 23.324 -13.598 1.00 0.00 C ATOM 1649 CD LYS A 105 23.135 22.251 -13.072 1.00 0.00 C ATOM 1650 CE LYS A 105 22.886 20.834 -13.616 1.00 0.00 C ATOM 1651 NZ LYS A 105 23.203 20.715 -15.066 1.00 0.00 N ATOM 0 H LYS A 105 20.686 25.098 -11.845 1.00 0.00 H new ATOM 0 HA LYS A 105 20.031 24.605 -14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.641 22.842 -12.144 1.00 0.00 H new ATOM 0 HB3 LYS A 105 20.344 22.169 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.246 23.376 -14.684 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.467 24.297 -13.210 1.00 0.00 H new ATOM 0 HD2 LYS A 105 24.154 22.547 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.069 22.224 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.492 20.122 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.843 20.564 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.018 19.742 -15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.607 21.374 -15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.205 20.946 -15.222 1.00 0.00 H new ATOM 1665 N ALA A 106 17.583 23.880 -12.469 1.00 0.00 N ATOM 1666 CA ALA A 106 16.135 23.637 -12.411 1.00 0.00 C ATOM 1667 C ALA A 106 15.320 24.723 -13.142 1.00 0.00 C ATOM 1668 O ALA A 106 14.331 24.403 -13.800 1.00 0.00 O ATOM 1669 CB ALA A 106 15.719 23.518 -10.939 1.00 0.00 C ATOM 0 H ALA A 106 17.994 24.077 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 106 15.917 22.706 -12.935 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.646 23.337 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 106 16.254 22.689 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.962 24.443 -10.416 1.00 0.00 H new ATOM 1675 N MET A 107 15.747 25.990 -13.076 1.00 0.00 N ATOM 1676 CA MET A 107 15.120 27.100 -13.814 1.00 0.00 C ATOM 1677 C MET A 107 15.434 27.050 -15.318 1.00 0.00 C ATOM 1678 O MET A 107 14.532 27.265 -16.131 1.00 0.00 O ATOM 1679 CB MET A 107 15.535 28.450 -13.201 1.00 0.00 C ATOM 1680 CG MET A 107 14.907 28.649 -11.812 1.00 0.00 C ATOM 1681 SD MET A 107 15.150 30.289 -11.071 1.00 0.00 S ATOM 1682 CE MET A 107 16.956 30.342 -10.960 1.00 0.00 C ATOM 0 H MET A 107 16.542 26.279 -12.506 1.00 0.00 H new ATOM 0 HA MET A 107 14.040 26.991 -13.719 1.00 0.00 H new ATOM 0 HB2 MET A 107 16.621 28.497 -13.122 1.00 0.00 H new ATOM 0 HB3 MET A 107 15.228 29.261 -13.861 1.00 0.00 H new ATOM 0 HG2 MET A 107 13.836 28.458 -11.886 1.00 0.00 H new ATOM 0 HG3 MET A 107 15.318 27.900 -11.136 1.00 0.00 H new ATOM 0 HE1 MET A 107 17.257 31.162 -10.308 1.00 0.00 H new ATOM 0 HE2 MET A 107 17.323 29.401 -10.551 1.00 0.00 H new ATOM 0 HE3 MET A 107 17.377 30.495 -11.954 1.00 0.00 H new ATOM 1692 N CYS A 108 16.679 26.732 -15.695 1.00 0.00 N ATOM 1693 CA CYS A 108 17.110 26.643 -17.099 1.00 0.00 C ATOM 1694 C CYS A 108 16.542 25.409 -17.837 1.00 0.00 C ATOM 1695 O CYS A 108 16.176 25.525 -19.009 1.00 0.00 O ATOM 1696 CB CYS A 108 18.648 26.651 -17.158 1.00 0.00 C ATOM 1697 SG CYS A 108 19.313 28.192 -16.456 1.00 0.00 S ATOM 0 H CYS A 108 17.424 26.527 -15.029 1.00 0.00 H new ATOM 0 HA CYS A 108 16.708 27.512 -17.619 1.00 0.00 H new ATOM 0 HB2 CYS A 108 19.042 25.796 -16.609 1.00 0.00 H new ATOM 0 HB3 CYS A 108 18.977 26.545 -18.192 1.00 0.00 H new ATOM 0 HG CYS A 108 19.311 28.114 -15.158 1.00 0.00 H new ATOM 1703 N SER A 109 16.485 24.262 -17.139 1.00 0.00 N ATOM 1704 CA SER A 109 16.060 22.913 -17.571 1.00 0.00 C ATOM 1705 C SER A 109 16.228 22.606 -19.075 1.00 0.00 C ATOM 1706 O SER A 109 15.235 22.707 -19.838 1.00 0.00 O ATOM 1707 CB SER A 109 14.654 22.601 -17.052 1.00 0.00 C ATOM 1708 OG SER A 109 13.741 23.412 -17.754 1.00 0.00 O ATOM 1709 OXT SER A 109 17.355 22.229 -19.475 1.00 0.00 O ATOM 0 H SER A 109 16.763 24.252 -16.158 1.00 0.00 H new ATOM 0 HA SER A 109 16.766 22.224 -17.107 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.419 21.547 -17.199 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.591 22.795 -15.981 1.00 0.00 H new ATOM 0 HG SER A 109 13.958 23.397 -18.710 1.00 0.00 H new