USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 203 SEP H : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 45 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.14) USER MOD Set 1.2: A 59 MET CE :methyl 156:sc= -0.0582 (180deg=-0.33) USER MOD Set 2.1: A 35 HIS : no HE2:sc= 1.09 K(o=2,f=-6!) USER MOD Set 2.2: B 199 CYS SG : rot 2:sc= 0.876 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -132:sc= 1.66 (180deg=-1.78!) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= 1.3 (180deg=1.22) USER MOD Single : A 29 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.12) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -94:sc= 1.22 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -0.0254 (180deg=-2.03!) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.085 (180deg=-0.486) USER MOD Single : A 41 THR OG1 : rot -137:sc= 0.763 USER MOD Single : A 42 THR OG1 : rot 16:sc= 0.0959! USER MOD Single : A 43 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-6.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= 2.35 (180deg=2.16) USER MOD Single : A 50 SER OG : rot 75:sc= 1.29 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 62:sc= 0.191 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 GLN : amide:sc= -0.0952 X(o=-0.095,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= 0.092 X(o=0.092,f=-0.0067) USER MOD Single : A 61 SER OG : rot -118:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 74 ASN : amide:sc= -0.0387 X(o=-0.039,f=-0.18) USER MOD Single : A 75 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot -57:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -157:sc= 0 (180deg=-0.191) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.176 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.316 -6.965 -0.381 1.00 10.00 N ATOM 2 CA TYR A 21 11.914 -6.783 -0.722 1.00 10.00 C ATOM 3 C TYR A 21 11.032 -6.981 0.504 1.00 10.00 C ATOM 4 O TYR A 21 11.165 -7.971 1.225 1.00 10.00 O ATOM 5 CB TYR A 21 11.496 -7.755 -1.826 1.00 10.00 C ATOM 6 CG TYR A 21 11.818 -7.267 -3.218 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.871 -6.576 -3.963 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.064 -7.497 -3.790 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.157 -6.124 -5.235 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.356 -7.049 -5.064 1.00 10.00 C ATOM 11 CZ TYR A 21 12.400 -6.363 -5.782 1.00 10.00 C ATOM 12 OH TYR A 21 12.688 -5.909 -7.052 1.00 10.00 O ATOM 0 HA TYR A 21 11.786 -5.763 -1.085 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.992 -8.712 -1.662 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.423 -7.935 -1.753 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.895 -6.389 -3.540 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.815 -8.034 -3.230 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.410 -5.585 -5.800 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.329 -7.235 -5.495 1.00 10.00 H new ATOM 0 HH TYR A 21 13.606 -6.159 -7.288 1.00 10.00 H new ATOM 22 N ILE A 22 10.142 -6.033 0.733 1.00 10.00 N ATOM 23 CA ILE A 22 9.226 -6.090 1.862 1.00 10.00 C ATOM 24 C ILE A 22 7.812 -6.331 1.356 1.00 10.00 C ATOM 25 O ILE A 22 7.231 -5.470 0.700 1.00 10.00 O ATOM 26 CB ILE A 22 9.268 -4.781 2.681 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.688 -4.521 3.199 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.271 -4.831 3.832 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.191 -5.565 4.173 1.00 10.00 C ATOM 0 H ILE A 22 10.032 -5.206 0.147 1.00 10.00 H new ATOM 0 HA ILE A 22 9.533 -6.909 2.513 1.00 10.00 H new ATOM 0 HB ILE A 22 8.984 -3.956 2.027 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.370 -4.473 2.350 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.713 -3.545 3.684 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.318 -3.899 4.395 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.264 -4.965 3.436 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.516 -5.665 4.490 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.201 -5.308 4.492 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.534 -5.598 5.042 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.201 -6.541 3.688 1.00 10.00 H new ATOM 41 N LYS A 23 7.263 -7.497 1.648 1.00 10.00 N ATOM 42 CA LYS A 23 5.929 -7.831 1.188 1.00 10.00 C ATOM 43 C LYS A 23 4.877 -7.508 2.243 1.00 10.00 C ATOM 44 O LYS A 23 4.847 -8.105 3.323 1.00 10.00 O ATOM 45 CB LYS A 23 5.865 -9.306 0.803 1.00 10.00 C ATOM 46 CG LYS A 23 4.485 -9.771 0.371 1.00 10.00 C ATOM 47 CD LYS A 23 4.171 -11.153 0.917 1.00 10.00 C ATOM 48 CE LYS A 23 4.209 -11.169 2.437 1.00 10.00 C ATOM 49 NZ LYS A 23 5.473 -11.749 2.966 1.00 10.00 N ATOM 0 H LYS A 23 7.719 -8.225 2.199 1.00 10.00 H new ATOM 0 HA LYS A 23 5.711 -7.223 0.310 1.00 10.00 H new ATOM 0 HB2 LYS A 23 6.570 -9.491 -0.008 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.191 -9.907 1.652 1.00 10.00 H new ATOM 0 HG2 LYS A 23 3.735 -9.061 0.719 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.429 -9.786 -0.717 1.00 10.00 H new ATOM 0 HD2 LYS A 23 3.186 -11.467 0.573 1.00 10.00 H new ATOM 0 HD3 LYS A 23 4.890 -11.873 0.526 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.094 -10.152 2.811 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.363 -11.744 2.813 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.252 -12.449 3.703 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 5.992 -12.212 2.193 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.059 -10.992 3.372 1.00 10.00 H new ATOM 63 N LEU A 24 4.020 -6.555 1.919 1.00 10.00 N ATOM 64 CA LEU A 24 2.948 -6.143 2.808 1.00 10.00 C ATOM 65 C LEU A 24 1.673 -6.891 2.442 1.00 10.00 C ATOM 66 O LEU A 24 1.305 -6.965 1.267 1.00 10.00 O ATOM 67 CB LEU A 24 2.721 -4.631 2.707 1.00 10.00 C ATOM 68 CG LEU A 24 3.971 -3.771 2.915 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.699 -2.329 2.513 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.433 -3.839 4.362 1.00 10.00 C ATOM 0 H LEU A 24 4.048 -6.047 1.035 1.00 10.00 H new ATOM 0 HA LEU A 24 3.225 -6.380 3.835 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.304 -4.407 1.725 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.973 -4.342 3.445 1.00 10.00 H new ATOM 0 HG LEU A 24 4.766 -4.164 2.281 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.598 -1.732 2.667 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.415 -2.292 1.461 1.00 10.00 H new ATOM 0 HD13 LEU A 24 2.889 -1.928 3.122 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.322 -3.222 4.489 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.640 -3.473 5.015 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.668 -4.871 4.621 1.00 10.00 H new ATOM 82 N LYS A 25 1.009 -7.456 3.438 1.00 10.00 N ATOM 83 CA LYS A 25 -0.217 -8.202 3.207 1.00 10.00 C ATOM 84 C LYS A 25 -1.425 -7.281 3.291 1.00 10.00 C ATOM 85 O LYS A 25 -1.806 -6.825 4.372 1.00 10.00 O ATOM 86 CB LYS A 25 -0.358 -9.349 4.213 1.00 10.00 C ATOM 87 CG LYS A 25 0.749 -10.389 4.117 1.00 10.00 C ATOM 88 CD LYS A 25 0.404 -11.651 4.892 1.00 10.00 C ATOM 89 CE LYS A 25 -0.603 -12.515 4.140 1.00 10.00 C ATOM 90 NZ LYS A 25 -0.963 -13.745 4.894 1.00 10.00 N ATOM 0 H LYS A 25 1.299 -7.412 4.415 1.00 10.00 H new ATOM 0 HA LYS A 25 -0.168 -8.628 2.205 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.369 -8.936 5.222 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.319 -9.839 4.058 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.922 -10.640 3.071 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.678 -9.968 4.502 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.312 -12.226 5.075 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.004 -11.380 5.866 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.504 -11.933 3.946 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.188 -12.793 3.171 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.675 -14.284 4.360 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.114 -14.331 5.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.352 -13.482 5.822 1.00 10.00 H new ATOM 104 N VAL A 26 -2.009 -6.995 2.142 1.00 10.00 N ATOM 105 CA VAL A 26 -3.180 -6.140 2.078 1.00 10.00 C ATOM 106 C VAL A 26 -4.434 -7.001 2.052 1.00 10.00 C ATOM 107 O VAL A 26 -4.914 -7.380 0.982 1.00 10.00 O ATOM 108 CB VAL A 26 -3.161 -5.228 0.830 1.00 10.00 C ATOM 109 CG1 VAL A 26 -4.015 -3.990 1.058 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.738 -4.838 0.460 1.00 10.00 C ATOM 0 H VAL A 26 -1.690 -7.343 1.238 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.174 -5.501 2.961 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.583 -5.789 -0.004 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.989 -3.361 0.168 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -5.043 -4.290 1.260 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.626 -3.431 1.909 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.754 -4.197 -0.421 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.280 -4.302 1.291 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.159 -5.736 0.245 1.00 10.00 H new ATOM 120 N ILE A 27 -4.940 -7.334 3.229 1.00 10.00 N ATOM 121 CA ILE A 27 -6.130 -8.165 3.340 1.00 10.00 C ATOM 122 C ILE A 27 -7.391 -7.345 3.095 1.00 10.00 C ATOM 123 O ILE A 27 -7.716 -6.443 3.870 1.00 10.00 O ATOM 124 CB ILE A 27 -6.230 -8.841 4.728 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.897 -9.499 5.112 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.357 -9.868 4.743 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.448 -10.584 4.157 1.00 10.00 C ATOM 0 H ILE A 27 -4.545 -7.041 4.123 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.044 -8.940 2.579 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.454 -8.071 5.466 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.125 -8.731 5.161 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.988 -9.924 6.112 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.412 -10.333 5.727 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.303 -9.374 4.522 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.163 -10.632 3.991 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.499 -10.999 4.498 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.199 -11.374 4.125 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.322 -10.162 3.160 1.00 10.00 H new ATOM 139 N GLY A 28 -8.080 -7.652 2.007 1.00 10.00 N ATOM 140 CA GLY A 28 -9.302 -6.945 1.680 1.00 10.00 C ATOM 141 C GLY A 28 -10.480 -7.443 2.493 1.00 10.00 C ATOM 142 O GLY A 28 -10.428 -8.534 3.070 1.00 10.00 O ATOM 0 H GLY A 28 -7.815 -8.379 1.343 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.163 -5.879 1.859 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.517 -7.065 0.618 1.00 10.00 H new ATOM 146 N GLN A 29 -11.546 -6.650 2.534 1.00 10.00 N ATOM 147 CA GLN A 29 -12.746 -7.008 3.286 1.00 10.00 C ATOM 148 C GLN A 29 -13.418 -8.251 2.702 1.00 10.00 C ATOM 149 O GLN A 29 -14.170 -8.941 3.390 1.00 10.00 O ATOM 150 CB GLN A 29 -13.730 -5.836 3.300 1.00 10.00 C ATOM 151 CG GLN A 29 -14.849 -5.989 4.319 1.00 10.00 C ATOM 152 CD GLN A 29 -14.337 -6.041 5.747 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.176 -5.012 6.397 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.085 -7.241 6.249 1.00 10.00 N ATOM 0 H GLN A 29 -11.604 -5.752 2.054 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.445 -7.236 4.309 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.183 -4.917 3.509 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.167 -5.728 2.307 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.545 -5.156 4.217 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.408 -6.900 4.104 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.231 -8.074 5.678 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.745 -7.332 7.206 1.00 10.00 H new ATOM 163 N ASP A 30 -13.132 -8.546 1.442 1.00 10.00 N ATOM 164 CA ASP A 30 -13.716 -9.706 0.775 1.00 10.00 C ATOM 165 C ASP A 30 -12.825 -10.937 0.927 1.00 10.00 C ATOM 166 O ASP A 30 -12.924 -11.885 0.147 1.00 10.00 O ATOM 167 CB ASP A 30 -13.960 -9.409 -0.708 1.00 10.00 C ATOM 168 CG ASP A 30 -12.678 -9.284 -1.515 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.763 -8.553 -1.081 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.588 -9.904 -2.599 1.00 10.00 O ATOM 0 H ASP A 30 -12.499 -7.999 0.859 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.673 -9.918 1.253 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.573 -10.203 -1.134 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.529 -8.484 -0.797 1.00 10.00 H new ATOM 175 N SER A 31 -11.968 -10.915 1.947 1.00 10.00 N ATOM 176 CA SER A 31 -11.054 -12.023 2.232 1.00 10.00 C ATOM 177 C SER A 31 -10.119 -12.291 1.053 1.00 10.00 C ATOM 178 O SER A 31 -10.106 -13.383 0.480 1.00 10.00 O ATOM 179 CB SER A 31 -11.842 -13.286 2.599 1.00 10.00 C ATOM 180 OG SER A 31 -12.806 -13.007 3.604 1.00 10.00 O ATOM 0 H SER A 31 -11.887 -10.133 2.597 1.00 10.00 H new ATOM 0 HA SER A 31 -10.437 -11.739 3.084 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.339 -13.680 1.712 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.157 -14.058 2.950 1.00 10.00 H new ATOM 0 HG SER A 31 -13.298 -13.826 3.822 1.00 10.00 H new ATOM 186 N SER A 32 -9.343 -11.285 0.694 1.00 10.00 N ATOM 187 CA SER A 32 -8.397 -11.393 -0.402 1.00 10.00 C ATOM 188 C SER A 32 -6.984 -11.113 0.098 1.00 10.00 C ATOM 189 O SER A 32 -6.714 -10.038 0.640 1.00 10.00 O ATOM 190 CB SER A 32 -8.778 -10.404 -1.503 1.00 10.00 C ATOM 191 OG SER A 32 -9.254 -9.191 -0.942 1.00 10.00 O ATOM 0 H SER A 32 -9.350 -10.373 1.152 1.00 10.00 H new ATOM 0 HA SER A 32 -8.426 -12.405 -0.807 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.913 -10.204 -2.135 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.545 -10.841 -2.142 1.00 10.00 H new ATOM 0 HG SER A 32 -10.231 -9.224 -0.873 1.00 10.00 H new ATOM 197 N GLU A 33 -6.096 -12.083 -0.055 1.00 10.00 N ATOM 198 CA GLU A 33 -4.718 -11.921 0.381 1.00 10.00 C ATOM 199 C GLU A 33 -3.872 -11.322 -0.736 1.00 10.00 C ATOM 200 O GLU A 33 -3.331 -12.037 -1.581 1.00 10.00 O ATOM 201 CB GLU A 33 -4.134 -13.258 0.840 1.00 10.00 C ATOM 202 CG GLU A 33 -4.782 -13.792 2.110 1.00 10.00 C ATOM 203 CD GLU A 33 -3.938 -14.840 2.802 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.246 -14.500 3.783 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.965 -16.011 2.374 1.00 10.00 O ATOM 0 H GLU A 33 -6.304 -12.988 -0.477 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.706 -11.236 1.229 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.253 -13.992 0.043 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.063 -13.141 1.008 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.961 -12.965 2.797 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.754 -14.219 1.865 1.00 10.00 H new ATOM 212 N ILE A 34 -3.790 -10.003 -0.750 1.00 10.00 N ATOM 213 CA ILE A 34 -3.011 -9.297 -1.751 1.00 10.00 C ATOM 214 C ILE A 34 -1.591 -9.070 -1.245 1.00 10.00 C ATOM 215 O ILE A 34 -1.391 -8.545 -0.150 1.00 10.00 O ATOM 216 CB ILE A 34 -3.665 -7.944 -2.114 1.00 10.00 C ATOM 217 CG1 ILE A 34 -5.047 -8.172 -2.739 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.778 -7.135 -3.055 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.022 -9.038 -3.983 1.00 10.00 C ATOM 0 H ILE A 34 -4.256 -9.397 -0.075 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.979 -9.912 -2.650 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.785 -7.370 -1.195 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.698 -8.636 -1.998 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.486 -7.206 -2.989 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -3.266 -6.189 -3.291 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.820 -6.939 -2.573 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.613 -7.698 -3.974 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.036 -9.153 -4.366 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.398 -8.566 -4.742 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.614 -10.018 -3.736 1.00 10.00 H new ATOM 231 N HIS A 35 -0.614 -9.483 -2.036 1.00 10.00 N ATOM 232 CA HIS A 35 0.786 -9.331 -1.664 1.00 10.00 C ATOM 233 C HIS A 35 1.419 -8.171 -2.422 1.00 10.00 C ATOM 234 O HIS A 35 1.555 -8.217 -3.647 1.00 10.00 O ATOM 235 CB HIS A 35 1.577 -10.612 -1.964 1.00 10.00 C ATOM 236 CG HIS A 35 0.948 -11.879 -1.463 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.901 -13.007 -2.251 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.381 -12.154 -0.260 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.309 -13.936 -1.517 1.00 10.00 C ATOM 240 NE2 HIS A 35 -0.023 -13.466 -0.309 1.00 10.00 N ATOM 0 H HIS A 35 -0.764 -9.927 -2.942 1.00 10.00 H new ATOM 0 HA HIS A 35 0.820 -9.131 -0.593 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.712 -10.693 -3.043 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.570 -10.519 -1.525 1.00 10.00 H new ATOM 0 HD1 HIS A 35 1.250 -13.106 -3.204 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.270 -11.474 0.572 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.118 -14.945 -1.851 1.00 10.00 H new ATOM 248 N PHE A 36 1.797 -7.130 -1.697 1.00 10.00 N ATOM 249 CA PHE A 36 2.436 -5.974 -2.306 1.00 10.00 C ATOM 250 C PHE A 36 3.870 -5.866 -1.806 1.00 10.00 C ATOM 251 O PHE A 36 4.105 -5.551 -0.640 1.00 10.00 O ATOM 252 CB PHE A 36 1.666 -4.688 -1.982 1.00 10.00 C ATOM 253 CG PHE A 36 1.786 -3.630 -3.046 1.00 10.00 C ATOM 254 CD1 PHE A 36 2.930 -3.536 -3.824 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.753 -2.736 -3.271 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.040 -2.572 -4.804 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.860 -1.765 -4.251 1.00 10.00 C ATOM 258 CZ PHE A 36 2.004 -1.687 -5.019 1.00 10.00 C ATOM 0 H PHE A 36 1.673 -7.062 -0.687 1.00 10.00 H new ATOM 0 HA PHE A 36 2.436 -6.104 -3.388 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.613 -4.931 -1.840 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.030 -4.284 -1.037 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.745 -4.226 -3.661 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.146 -2.797 -2.675 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.937 -2.510 -5.403 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.050 -1.070 -4.415 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.088 -0.933 -5.788 1.00 10.00 H new ATOM 268 N LYS A 37 4.819 -6.142 -2.682 1.00 10.00 N ATOM 269 CA LYS A 37 6.223 -6.079 -2.314 1.00 10.00 C ATOM 270 C LYS A 37 6.812 -4.707 -2.620 1.00 10.00 C ATOM 271 O LYS A 37 6.782 -4.231 -3.758 1.00 10.00 O ATOM 272 CB LYS A 37 7.018 -7.184 -3.018 1.00 10.00 C ATOM 273 CG LYS A 37 6.933 -7.143 -4.534 1.00 10.00 C ATOM 274 CD LYS A 37 7.018 -8.533 -5.142 1.00 10.00 C ATOM 275 CE LYS A 37 8.319 -9.231 -4.787 1.00 10.00 C ATOM 276 NZ LYS A 37 8.361 -10.620 -5.318 1.00 10.00 N ATOM 0 H LYS A 37 4.645 -6.411 -3.650 1.00 10.00 H new ATOM 0 HA LYS A 37 6.295 -6.239 -1.238 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.064 -7.108 -2.722 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.658 -8.153 -2.671 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.996 -6.672 -4.833 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.740 -6.525 -4.927 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.178 -9.133 -4.793 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.930 -8.461 -6.226 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.158 -8.663 -5.188 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.437 -9.252 -3.704 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.264 -11.065 -5.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 7.575 -11.169 -4.916 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.274 -10.598 -6.354 1.00 10.00 H new ATOM 290 N VAL A 38 7.327 -4.069 -1.583 1.00 10.00 N ATOM 291 CA VAL A 38 7.936 -2.758 -1.710 1.00 10.00 C ATOM 292 C VAL A 38 9.437 -2.854 -1.471 1.00 10.00 C ATOM 293 O VAL A 38 9.958 -3.928 -1.160 1.00 10.00 O ATOM 294 CB VAL A 38 7.320 -1.743 -0.716 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.810 -1.686 -0.876 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.691 -2.090 0.720 1.00 10.00 C ATOM 0 H VAL A 38 7.335 -4.444 -0.634 1.00 10.00 H new ATOM 0 HA VAL A 38 7.744 -2.403 -2.722 1.00 10.00 H new ATOM 0 HB VAL A 38 7.730 -0.759 -0.943 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.396 -0.967 -0.169 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.563 -1.379 -1.892 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.386 -2.671 -0.682 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.245 -1.361 1.397 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.318 -3.085 0.962 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.775 -2.072 0.830 1.00 10.00 H new ATOM 306 N LYS A 39 10.126 -1.734 -1.602 1.00 10.00 N ATOM 307 CA LYS A 39 11.564 -1.699 -1.400 1.00 10.00 C ATOM 308 C LYS A 39 11.934 -0.496 -0.550 1.00 10.00 C ATOM 309 O LYS A 39 11.223 0.510 -0.552 1.00 10.00 O ATOM 310 CB LYS A 39 12.287 -1.633 -2.747 1.00 10.00 C ATOM 311 CG LYS A 39 13.145 -2.853 -3.039 1.00 10.00 C ATOM 312 CD LYS A 39 13.593 -2.888 -4.491 1.00 10.00 C ATOM 313 CE LYS A 39 14.624 -1.810 -4.791 1.00 10.00 C ATOM 314 NZ LYS A 39 15.008 -1.797 -6.224 1.00 10.00 N ATOM 0 H LYS A 39 9.712 -0.835 -1.848 1.00 10.00 H new ATOM 0 HA LYS A 39 11.871 -2.609 -0.884 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.549 -1.520 -3.541 1.00 10.00 H new ATOM 0 HB3 LYS A 39 12.916 -0.743 -2.769 1.00 10.00 H new ATOM 0 HG2 LYS A 39 14.019 -2.848 -2.388 1.00 10.00 H new ATOM 0 HG3 LYS A 39 12.582 -3.758 -2.809 1.00 10.00 H new ATOM 0 HD2 LYS A 39 14.015 -3.867 -4.718 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.728 -2.755 -5.141 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.222 -0.836 -4.514 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.511 -1.975 -4.179 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.044 -1.752 -6.305 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.662 -2.663 -6.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.588 -0.967 -6.688 1.00 10.00 H new ATOM 328 N MET A 40 13.048 -0.601 0.166 1.00 10.00 N ATOM 329 CA MET A 40 13.521 0.480 1.024 1.00 10.00 C ATOM 330 C MET A 40 14.130 1.598 0.179 1.00 10.00 C ATOM 331 O MET A 40 15.335 1.845 0.221 1.00 10.00 O ATOM 332 CB MET A 40 14.547 -0.061 2.028 1.00 10.00 C ATOM 333 CG MET A 40 14.852 0.889 3.175 1.00 10.00 C ATOM 334 SD MET A 40 13.405 1.269 4.183 1.00 10.00 S ATOM 335 CE MET A 40 13.023 -0.347 4.853 1.00 10.00 C ATOM 0 H MET A 40 13.644 -1.429 0.169 1.00 10.00 H new ATOM 0 HA MET A 40 12.677 0.891 1.577 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.178 -1.001 2.437 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.474 -0.285 1.500 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.623 0.449 3.808 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.260 1.816 2.772 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.347 -0.239 5.702 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.546 -0.956 4.085 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.943 -0.832 5.181 1.00 10.00 H new ATOM 345 N THR A 41 13.282 2.256 -0.600 1.00 10.00 N ATOM 346 CA THR A 41 13.695 3.342 -1.476 1.00 10.00 C ATOM 347 C THR A 41 12.491 3.891 -2.231 1.00 10.00 C ATOM 348 O THR A 41 12.482 5.048 -2.659 1.00 10.00 O ATOM 349 CB THR A 41 14.770 2.884 -2.497 1.00 10.00 C ATOM 350 OG1 THR A 41 15.404 4.024 -3.096 1.00 10.00 O ATOM 351 CG2 THR A 41 14.163 2.000 -3.584 1.00 10.00 C ATOM 0 H THR A 41 12.284 2.050 -0.642 1.00 10.00 H new ATOM 0 HA THR A 41 14.130 4.119 -0.847 1.00 10.00 H new ATOM 0 HB THR A 41 15.514 2.299 -1.957 1.00 10.00 H new ATOM 0 HG1 THR A 41 15.502 3.875 -4.060 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.942 1.696 -4.283 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.720 1.115 -3.128 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.393 2.557 -4.118 1.00 10.00 H new ATOM 359 N THR A 42 11.471 3.055 -2.377 1.00 10.00 N ATOM 360 CA THR A 42 10.275 3.445 -3.089 1.00 10.00 C ATOM 361 C THR A 42 9.451 4.425 -2.262 1.00 10.00 C ATOM 362 O THR A 42 9.201 4.188 -1.076 1.00 10.00 O ATOM 363 CB THR A 42 9.418 2.210 -3.450 1.00 10.00 C ATOM 364 OG1 THR A 42 8.746 1.710 -2.283 1.00 10.00 O ATOM 365 CG2 THR A 42 10.280 1.098 -4.028 1.00 10.00 C ATOM 0 H THR A 42 11.454 2.104 -2.009 1.00 10.00 H new ATOM 0 HA THR A 42 10.583 3.935 -4.012 1.00 10.00 H new ATOM 0 HB THR A 42 8.687 2.524 -4.195 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.772 2.387 -1.575 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.652 0.241 -4.273 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.777 1.454 -4.931 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.030 0.800 -3.295 1.00 10.00 H new ATOM 373 N HIS A 43 9.043 5.526 -2.873 1.00 10.00 N ATOM 374 CA HIS A 43 8.250 6.515 -2.170 1.00 10.00 C ATOM 375 C HIS A 43 6.816 6.005 -2.081 1.00 10.00 C ATOM 376 O HIS A 43 6.279 5.481 -3.061 1.00 10.00 O ATOM 377 CB HIS A 43 8.266 7.887 -2.873 1.00 10.00 C ATOM 378 CG HIS A 43 9.571 8.303 -3.505 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.583 9.226 -4.527 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.856 7.920 -3.250 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.850 9.378 -4.865 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.647 8.613 -4.117 1.00 10.00 N ATOM 0 H HIS A 43 9.247 5.754 -3.846 1.00 10.00 H new ATOM 0 HA HIS A 43 8.680 6.657 -1.179 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.498 7.883 -3.646 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.982 8.647 -2.145 1.00 10.00 H new ATOM 0 HD1 HIS A 43 8.777 9.696 -4.939 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.182 7.207 -2.507 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.197 10.037 -5.647 1.00 10.00 H new ATOM 390 N LEU A 44 6.192 6.162 -0.919 1.00 10.00 N ATOM 391 CA LEU A 44 4.825 5.687 -0.723 1.00 10.00 C ATOM 392 C LEU A 44 3.840 6.409 -1.637 1.00 10.00 C ATOM 393 O LEU A 44 2.729 5.930 -1.863 1.00 10.00 O ATOM 394 CB LEU A 44 4.411 5.814 0.741 1.00 10.00 C ATOM 395 CG LEU A 44 4.809 4.625 1.618 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.683 4.976 3.091 1.00 10.00 C ATOM 397 CD2 LEU A 44 3.954 3.412 1.282 1.00 10.00 C ATOM 0 H LEU A 44 6.607 6.611 -0.103 1.00 10.00 H new ATOM 0 HA LEU A 44 4.802 4.631 -0.993 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.856 6.719 1.154 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.329 5.940 0.790 1.00 10.00 H new ATOM 0 HG LEU A 44 5.852 4.382 1.416 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.971 4.116 3.696 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.337 5.817 3.322 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.651 5.247 3.314 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.248 2.574 1.913 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.904 3.647 1.457 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.097 3.145 0.235 1.00 10.00 H new ATOM 409 N LYS A 45 4.254 7.554 -2.171 1.00 10.00 N ATOM 410 CA LYS A 45 3.419 8.319 -3.089 1.00 10.00 C ATOM 411 C LYS A 45 3.096 7.476 -4.318 1.00 10.00 C ATOM 412 O LYS A 45 1.931 7.314 -4.695 1.00 10.00 O ATOM 413 CB LYS A 45 4.140 9.603 -3.518 1.00 10.00 C ATOM 414 CG LYS A 45 3.477 10.322 -4.683 1.00 10.00 C ATOM 415 CD LYS A 45 2.204 11.028 -4.255 1.00 10.00 C ATOM 416 CE LYS A 45 1.394 11.492 -5.452 1.00 10.00 C ATOM 417 NZ LYS A 45 0.319 12.442 -5.061 1.00 10.00 N ATOM 0 H LYS A 45 5.165 7.973 -1.983 1.00 10.00 H new ATOM 0 HA LYS A 45 2.493 8.587 -2.581 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.191 10.281 -2.666 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.166 9.358 -3.792 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.172 11.048 -5.105 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.248 9.604 -5.471 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.601 10.355 -3.646 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.455 11.885 -3.630 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.056 11.970 -6.174 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.952 10.628 -5.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.253 12.682 -5.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -0.288 12.002 -4.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.745 13.308 -4.673 1.00 10.00 H new ATOM 431 N LYS A 46 4.143 6.914 -4.913 1.00 10.00 N ATOM 432 CA LYS A 46 4.006 6.088 -6.100 1.00 10.00 C ATOM 433 C LYS A 46 3.280 4.791 -5.770 1.00 10.00 C ATOM 434 O LYS A 46 2.584 4.224 -6.612 1.00 10.00 O ATOM 435 CB LYS A 46 5.384 5.789 -6.689 1.00 10.00 C ATOM 436 CG LYS A 46 5.335 5.059 -8.020 1.00 10.00 C ATOM 437 CD LYS A 46 6.714 4.963 -8.651 1.00 10.00 C ATOM 438 CE LYS A 46 6.807 5.794 -9.916 1.00 10.00 C ATOM 439 NZ LYS A 46 6.722 7.251 -9.630 1.00 10.00 N ATOM 0 H LYS A 46 5.103 7.019 -4.586 1.00 10.00 H new ATOM 0 HA LYS A 46 3.416 6.632 -6.837 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.925 6.726 -6.819 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.951 5.190 -5.977 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.930 4.058 -7.873 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.659 5.580 -8.698 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.466 5.300 -7.937 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.938 3.921 -8.882 1.00 10.00 H new ATOM 0 HE2 LYS A 46 7.747 5.578 -10.424 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.004 5.510 -10.597 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 6.789 7.784 -10.520 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 5.814 7.462 -9.168 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.503 7.527 -9.001 1.00 10.00 H new ATOM 453 N LEU A 47 3.442 4.329 -4.539 1.00 10.00 N ATOM 454 CA LEU A 47 2.801 3.102 -4.087 1.00 10.00 C ATOM 455 C LEU A 47 1.285 3.238 -4.100 1.00 10.00 C ATOM 456 O LEU A 47 0.577 2.404 -4.669 1.00 10.00 O ATOM 457 CB LEU A 47 3.270 2.749 -2.673 1.00 10.00 C ATOM 458 CG LEU A 47 4.356 1.681 -2.590 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.858 0.382 -3.186 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.624 2.139 -3.293 1.00 10.00 C ATOM 0 H LEU A 47 4.015 4.788 -3.831 1.00 10.00 H new ATOM 0 HA LEU A 47 3.085 2.305 -4.774 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.639 3.656 -2.194 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.408 2.412 -2.096 1.00 10.00 H new ATOM 0 HG LEU A 47 4.595 1.516 -1.539 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.642 -0.372 -3.121 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.981 0.042 -2.636 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.592 0.540 -4.231 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.383 1.360 -3.219 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.407 2.336 -4.343 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.993 3.050 -2.821 1.00 10.00 H new ATOM 472 N LYS A 48 0.806 4.315 -3.497 1.00 10.00 N ATOM 473 CA LYS A 48 -0.620 4.580 -3.397 1.00 10.00 C ATOM 474 C LYS A 48 -1.280 4.708 -4.769 1.00 10.00 C ATOM 475 O LYS A 48 -2.353 4.146 -5.000 1.00 10.00 O ATOM 476 CB LYS A 48 -0.858 5.850 -2.576 1.00 10.00 C ATOM 477 CG LYS A 48 -0.295 5.773 -1.166 1.00 10.00 C ATOM 478 CD LYS A 48 -0.486 7.078 -0.410 1.00 10.00 C ATOM 479 CE LYS A 48 -1.943 7.304 -0.059 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.160 8.610 0.614 1.00 10.00 N ATOM 0 H LYS A 48 1.393 5.028 -3.064 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.079 3.728 -2.895 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.408 6.697 -3.093 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -1.929 6.043 -2.521 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.783 4.964 -0.623 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.767 5.531 -1.211 1.00 10.00 H new ATOM 0 HD2 LYS A 48 0.112 7.063 0.501 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.123 7.908 -1.016 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.545 7.260 -0.967 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.288 6.500 0.591 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.107 8.969 0.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.083 8.487 1.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.442 9.290 0.292 1.00 10.00 H new ATOM 494 N GLU A 49 -0.638 5.426 -5.685 1.00 10.00 N ATOM 495 CA GLU A 49 -1.204 5.622 -7.015 1.00 10.00 C ATOM 496 C GLU A 49 -1.139 4.347 -7.856 1.00 10.00 C ATOM 497 O GLU A 49 -2.067 4.055 -8.612 1.00 10.00 O ATOM 498 CB GLU A 49 -0.519 6.788 -7.737 1.00 10.00 C ATOM 499 CG GLU A 49 0.978 6.622 -7.926 1.00 10.00 C ATOM 500 CD GLU A 49 1.622 7.842 -8.554 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.644 7.936 -9.800 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.106 8.718 -7.807 1.00 10.00 O ATOM 0 H GLU A 49 0.264 5.877 -5.534 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.257 5.871 -6.884 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.983 6.916 -8.715 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.702 7.704 -7.175 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.443 6.426 -6.960 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.167 5.751 -8.554 1.00 10.00 H new ATOM 509 N SER A 50 -0.068 3.572 -7.707 1.00 10.00 N ATOM 510 CA SER A 50 0.086 2.340 -8.472 1.00 10.00 C ATOM 511 C SER A 50 -0.952 1.299 -8.060 1.00 10.00 C ATOM 512 O SER A 50 -1.439 0.537 -8.897 1.00 10.00 O ATOM 513 CB SER A 50 1.499 1.780 -8.315 1.00 10.00 C ATOM 514 OG SER A 50 2.464 2.705 -8.787 1.00 10.00 O ATOM 0 H SER A 50 0.701 3.774 -7.068 1.00 10.00 H new ATOM 0 HA SER A 50 -0.077 2.578 -9.523 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.690 1.552 -7.266 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.587 0.844 -8.866 1.00 10.00 H new ATOM 0 HG SER A 50 2.562 3.434 -8.140 1.00 10.00 H new ATOM 520 N TYR A 51 -1.296 1.267 -6.773 1.00 10.00 N ATOM 521 CA TYR A 51 -2.298 0.320 -6.286 1.00 10.00 C ATOM 522 C TYR A 51 -3.640 0.607 -6.948 1.00 10.00 C ATOM 523 O TYR A 51 -4.354 -0.308 -7.366 1.00 10.00 O ATOM 524 CB TYR A 51 -2.437 0.406 -4.764 1.00 10.00 C ATOM 525 CG TYR A 51 -3.260 -0.716 -4.162 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.723 -1.989 -4.005 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.566 -0.502 -3.741 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.463 -3.016 -3.446 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.315 -1.523 -3.184 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.759 -2.778 -3.037 1.00 10.00 C ATOM 531 OH TYR A 51 -5.499 -3.796 -2.481 1.00 10.00 O ATOM 0 H TYR A 51 -0.902 1.877 -6.057 1.00 10.00 H new ATOM 0 HA TYR A 51 -1.974 -0.689 -6.542 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.443 0.396 -4.316 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -2.895 1.360 -4.503 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.709 -2.180 -4.325 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.005 0.479 -3.850 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.029 -3.998 -3.331 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.330 -1.339 -2.865 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.390 -3.462 -2.246 1.00 10.00 H new ATOM 541 N CYS A 52 -3.959 1.891 -7.060 1.00 10.00 N ATOM 542 CA CYS A 52 -5.201 2.320 -7.683 1.00 10.00 C ATOM 543 C CYS A 52 -5.226 1.905 -9.153 1.00 10.00 C ATOM 544 O CYS A 52 -6.262 1.496 -9.677 1.00 10.00 O ATOM 545 CB CYS A 52 -5.358 3.838 -7.554 1.00 10.00 C ATOM 546 SG CYS A 52 -5.235 4.452 -5.858 1.00 10.00 S ATOM 0 H CYS A 52 -3.371 2.654 -6.725 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.035 1.838 -7.173 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.594 4.324 -8.161 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.325 4.129 -7.965 1.00 10.00 H new ATOM 0 HG CYS A 52 -4.054 4.184 -5.384 1.00 10.00 H new ATOM 552 N GLN A 53 -4.069 1.990 -9.806 1.00 10.00 N ATOM 553 CA GLN A 53 -3.950 1.623 -11.214 1.00 10.00 C ATOM 554 C GLN A 53 -4.157 0.123 -11.404 1.00 10.00 C ATOM 555 O GLN A 53 -4.741 -0.310 -12.396 1.00 10.00 O ATOM 556 CB GLN A 53 -2.580 2.025 -11.763 1.00 10.00 C ATOM 557 CG GLN A 53 -2.315 3.520 -11.722 1.00 10.00 C ATOM 558 CD GLN A 53 -1.014 3.897 -12.401 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.054 3.125 -12.406 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.974 5.085 -12.985 1.00 10.00 N ATOM 0 H GLN A 53 -3.199 2.311 -9.381 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.725 2.158 -11.763 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.806 1.513 -11.191 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.497 1.679 -12.793 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.139 4.045 -12.205 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.289 3.853 -10.684 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.791 5.694 -12.958 1.00 10.00 H new ATOM 0 HE22 GLN A 53 -0.126 5.391 -13.462 1.00 10.00 H new ATOM 569 N ARG A 54 -3.671 -0.660 -10.449 1.00 10.00 N ATOM 570 CA ARG A 54 -3.805 -2.112 -10.498 1.00 10.00 C ATOM 571 C ARG A 54 -5.266 -2.523 -10.324 1.00 10.00 C ATOM 572 O ARG A 54 -5.755 -3.428 -11.003 1.00 10.00 O ATOM 573 CB ARG A 54 -2.943 -2.755 -9.407 1.00 10.00 C ATOM 574 CG ARG A 54 -3.189 -4.246 -9.214 1.00 10.00 C ATOM 575 CD ARG A 54 -2.112 -5.089 -9.878 1.00 10.00 C ATOM 576 NE ARG A 54 -2.202 -6.495 -9.490 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.232 -7.388 -9.679 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.089 -7.029 -10.255 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.408 -8.646 -9.291 1.00 10.00 N ATOM 0 H ARG A 54 -3.178 -0.312 -9.627 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.463 -2.459 -11.473 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -1.892 -2.600 -9.652 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.129 -2.242 -8.463 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.223 -4.473 -8.149 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.163 -4.510 -9.627 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -2.202 -5.005 -10.961 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.130 -4.701 -9.609 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.063 -6.813 -9.046 1.00 10.00 H new ATOM 0 HH11 ARG A 54 0.050 -6.064 -10.555 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.649 -7.718 -10.396 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.284 -8.926 -8.850 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.667 -9.332 -9.434 1.00 10.00 H new ATOM 593 N GLN A 55 -5.955 -1.843 -9.418 1.00 10.00 N ATOM 594 CA GLN A 55 -7.355 -2.132 -9.143 1.00 10.00 C ATOM 595 C GLN A 55 -8.256 -1.605 -10.256 1.00 10.00 C ATOM 596 O GLN A 55 -9.278 -2.208 -10.576 1.00 10.00 O ATOM 597 CB GLN A 55 -7.765 -1.522 -7.803 1.00 10.00 C ATOM 598 CG GLN A 55 -6.990 -2.077 -6.622 1.00 10.00 C ATOM 599 CD GLN A 55 -7.141 -3.579 -6.481 1.00 10.00 C ATOM 600 OE1 GLN A 55 -6.337 -4.352 -7.006 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.179 -4.001 -5.784 1.00 10.00 N ATOM 0 H GLN A 55 -5.565 -1.084 -8.859 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.473 -3.215 -9.095 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.622 -0.442 -7.846 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -8.829 -1.697 -7.644 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -5.934 -1.831 -6.736 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.333 -1.593 -5.707 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.821 -3.327 -5.366 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.340 -5.001 -5.663 1.00 10.00 H new ATOM 610 N GLY A 56 -7.871 -0.481 -10.845 1.00 10.00 N ATOM 611 CA GLY A 56 -8.662 0.103 -11.910 1.00 10.00 C ATOM 612 C GLY A 56 -9.543 1.223 -11.406 1.00 10.00 C ATOM 613 O GLY A 56 -10.663 1.413 -11.883 1.00 10.00 O ATOM 0 H GLY A 56 -7.026 0.037 -10.605 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.000 0.483 -12.688 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.281 -0.668 -12.368 1.00 10.00 H new ATOM 617 N VAL A 57 -9.034 1.955 -10.429 1.00 10.00 N ATOM 618 CA VAL A 57 -9.757 3.069 -9.835 1.00 10.00 C ATOM 619 C VAL A 57 -8.852 4.294 -9.754 1.00 10.00 C ATOM 620 O VAL A 57 -7.626 4.164 -9.779 1.00 10.00 O ATOM 621 CB VAL A 57 -10.272 2.719 -8.417 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.405 1.705 -8.486 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.139 2.195 -7.544 1.00 10.00 C ATOM 0 H VAL A 57 -8.111 1.795 -10.026 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.616 3.283 -10.471 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.659 3.632 -7.965 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.750 1.475 -7.478 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.230 2.120 -9.066 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.048 0.793 -8.964 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.524 1.956 -6.553 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.717 1.297 -7.996 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.364 2.957 -7.458 1.00 10.00 H new ATOM 633 N PRO A 58 -9.429 5.501 -9.688 1.00 10.00 N ATOM 634 CA PRO A 58 -8.644 6.732 -9.586 1.00 10.00 C ATOM 635 C PRO A 58 -7.982 6.851 -8.217 1.00 10.00 C ATOM 636 O PRO A 58 -8.382 6.178 -7.270 1.00 10.00 O ATOM 637 CB PRO A 58 -9.685 7.837 -9.777 1.00 10.00 C ATOM 638 CG PRO A 58 -10.976 7.225 -9.360 1.00 10.00 C ATOM 639 CD PRO A 58 -10.880 5.768 -9.719 1.00 10.00 C ATOM 0 HA PRO A 58 -7.834 6.774 -10.314 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.448 8.711 -9.171 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.722 8.169 -10.814 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.141 7.353 -8.290 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.815 7.698 -9.871 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.419 5.143 -9.007 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.304 5.568 -10.703 1.00 10.00 H new ATOM 647 N MET A 59 -6.972 7.694 -8.107 1.00 10.00 N ATOM 648 CA MET A 59 -6.286 7.875 -6.835 1.00 10.00 C ATOM 649 C MET A 59 -7.196 8.607 -5.851 1.00 10.00 C ATOM 650 O MET A 59 -8.119 9.313 -6.266 1.00 10.00 O ATOM 651 CB MET A 59 -4.975 8.645 -7.028 1.00 10.00 C ATOM 652 CG MET A 59 -4.027 8.536 -5.845 1.00 10.00 C ATOM 653 SD MET A 59 -2.435 9.323 -6.150 1.00 10.00 S ATOM 654 CE MET A 59 -1.593 8.993 -4.603 1.00 10.00 C ATOM 0 H MET A 59 -6.609 8.261 -8.873 1.00 10.00 H new ATOM 0 HA MET A 59 -6.044 6.893 -6.429 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.473 8.273 -7.921 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.203 9.696 -7.205 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.491 8.992 -4.970 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.868 7.484 -5.609 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.515 9.018 -4.763 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.869 9.751 -3.870 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.882 8.009 -4.234 1.00 10.00 H new ATOM 664 N ASN A 60 -6.943 8.409 -4.556 1.00 10.00 N ATOM 665 CA ASN A 60 -7.727 9.037 -3.484 1.00 10.00 C ATOM 666 C ASN A 60 -9.107 8.385 -3.376 1.00 10.00 C ATOM 667 O ASN A 60 -10.054 8.978 -2.864 1.00 10.00 O ATOM 668 CB ASN A 60 -7.853 10.556 -3.705 1.00 10.00 C ATOM 669 CG ASN A 60 -8.121 11.327 -2.423 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.209 11.584 -1.634 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.370 11.708 -2.208 1.00 10.00 N ATOM 0 H ASN A 60 -6.190 7.810 -4.218 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.199 8.881 -2.543 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.935 10.928 -4.160 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.660 10.748 -4.412 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.605 12.233 -1.366 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.097 11.476 -2.884 1.00 10.00 H new ATOM 678 N SER A 61 -9.211 7.155 -3.872 1.00 10.00 N ATOM 679 CA SER A 61 -10.460 6.410 -3.813 1.00 10.00 C ATOM 680 C SER A 61 -10.409 5.407 -2.671 1.00 10.00 C ATOM 681 O SER A 61 -11.434 5.015 -2.117 1.00 10.00 O ATOM 682 CB SER A 61 -10.697 5.677 -5.130 1.00 10.00 C ATOM 683 OG SER A 61 -9.594 4.850 -5.447 1.00 10.00 O ATOM 0 H SER A 61 -8.443 6.655 -4.319 1.00 10.00 H new ATOM 0 HA SER A 61 -11.279 7.109 -3.643 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.602 5.073 -5.058 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.858 6.399 -5.930 1.00 10.00 H new ATOM 0 HG SER A 61 -9.198 5.144 -6.294 1.00 10.00 H new ATOM 689 N LEU A 62 -9.197 4.997 -2.334 1.00 10.00 N ATOM 690 CA LEU A 62 -8.969 4.037 -1.270 1.00 10.00 C ATOM 691 C LEU A 62 -8.027 4.633 -0.239 1.00 10.00 C ATOM 692 O LEU A 62 -7.072 5.324 -0.598 1.00 10.00 O ATOM 693 CB LEU A 62 -8.366 2.750 -1.841 1.00 10.00 C ATOM 694 CG LEU A 62 -9.176 2.082 -2.954 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.336 1.032 -3.663 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.446 1.460 -2.396 1.00 10.00 C ATOM 0 H LEU A 62 -8.345 5.321 -2.791 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.921 3.799 -0.796 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.371 2.974 -2.224 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.241 2.036 -1.027 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.460 2.846 -3.678 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -8.926 0.566 -4.452 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.456 1.504 -4.099 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.023 0.272 -2.947 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.007 0.991 -3.204 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.186 0.708 -1.651 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.057 2.234 -1.932 1.00 10.00 H new ATOM 708 N ARG A 63 -8.295 4.374 1.031 1.00 10.00 N ATOM 709 CA ARG A 63 -7.462 4.893 2.104 1.00 10.00 C ATOM 710 C ARG A 63 -6.656 3.778 2.760 1.00 10.00 C ATOM 711 O ARG A 63 -7.219 2.804 3.268 1.00 10.00 O ATOM 712 CB ARG A 63 -8.310 5.621 3.156 1.00 10.00 C ATOM 713 CG ARG A 63 -9.466 4.798 3.705 1.00 10.00 C ATOM 714 CD ARG A 63 -10.209 5.540 4.804 1.00 10.00 C ATOM 715 NE ARG A 63 -11.426 4.841 5.205 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.646 5.181 4.798 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.824 6.211 3.982 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.695 4.475 5.190 1.00 10.00 N ATOM 0 H ARG A 63 -9.083 3.807 1.344 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.767 5.608 1.664 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.666 5.918 3.983 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.707 6.536 2.716 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.157 4.556 2.897 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.088 3.853 4.095 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.556 5.657 5.669 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.463 6.542 4.458 1.00 10.00 H new ATOM 0 HE ARG A 63 -11.336 4.044 5.835 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.021 6.751 3.660 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.764 6.463 3.676 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.568 3.671 5.804 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.631 4.736 4.878 1.00 10.00 H new ATOM 732 N PHE A 64 -5.340 3.916 2.718 1.00 10.00 N ATOM 733 CA PHE A 64 -4.447 2.941 3.326 1.00 10.00 C ATOM 734 C PHE A 64 -4.302 3.242 4.810 1.00 10.00 C ATOM 735 O PHE A 64 -3.890 4.338 5.187 1.00 10.00 O ATOM 736 CB PHE A 64 -3.078 2.966 2.644 1.00 10.00 C ATOM 737 CG PHE A 64 -3.024 2.156 1.382 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.155 2.763 0.145 1.00 10.00 C ATOM 739 CD2 PHE A 64 -2.846 0.783 1.434 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.105 2.017 -1.016 1.00 10.00 C ATOM 741 CE2 PHE A 64 -2.796 0.032 0.278 1.00 10.00 C ATOM 742 CZ PHE A 64 -2.928 0.649 -0.949 1.00 10.00 C ATOM 0 H PHE A 64 -4.865 4.698 2.267 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.871 1.945 3.200 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.813 3.998 2.415 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.327 2.591 3.340 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.298 3.832 0.087 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -2.745 0.294 2.392 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.204 2.503 -1.975 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -2.654 -1.037 0.333 1.00 10.00 H new ATOM 0 HZ PHE A 64 -2.893 0.063 -1.856 1.00 10.00 H new ATOM 752 N LEU A 65 -4.650 2.276 5.645 1.00 10.00 N ATOM 753 CA LEU A 65 -4.582 2.456 7.085 1.00 10.00 C ATOM 754 C LEU A 65 -3.525 1.559 7.715 1.00 10.00 C ATOM 755 O LEU A 65 -3.526 0.340 7.527 1.00 10.00 O ATOM 756 CB LEU A 65 -5.949 2.172 7.716 1.00 10.00 C ATOM 757 CG LEU A 65 -7.106 3.016 7.174 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.422 2.567 7.781 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.868 4.492 7.450 1.00 10.00 C ATOM 0 H LEU A 65 -4.983 1.358 5.349 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.300 3.491 7.276 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.188 1.119 7.567 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.875 2.334 8.791 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.158 2.873 6.095 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.233 3.178 7.384 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.600 1.521 7.531 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.380 2.679 8.864 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.701 5.075 7.057 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.788 4.653 8.525 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.944 4.808 6.966 1.00 10.00 H new ATOM 771 N PHE A 66 -2.618 2.184 8.449 1.00 10.00 N ATOM 772 CA PHE A 66 -1.559 1.482 9.150 1.00 10.00 C ATOM 773 C PHE A 66 -1.573 1.909 10.611 1.00 10.00 C ATOM 774 O PHE A 66 -1.356 3.083 10.918 1.00 10.00 O ATOM 775 CB PHE A 66 -0.200 1.782 8.513 1.00 10.00 C ATOM 776 CG PHE A 66 0.955 1.157 9.243 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.076 -0.220 9.328 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.919 1.948 9.843 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.135 -0.794 10.002 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.982 1.378 10.517 1.00 10.00 C ATOM 781 CZ PHE A 66 3.089 0.006 10.595 1.00 10.00 C ATOM 0 H PHE A 66 -2.597 3.196 8.575 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.726 0.407 9.082 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.204 1.426 7.483 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.055 2.862 8.477 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.334 -0.851 8.862 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.840 3.023 9.784 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.216 -1.869 10.065 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.728 2.006 10.982 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.919 -0.442 11.120 1.00 10.00 H new ATOM 791 N GLU A 67 -1.864 0.960 11.501 1.00 10.00 N ATOM 792 CA GLU A 67 -1.942 1.231 12.938 1.00 10.00 C ATOM 793 C GLU A 67 -3.100 2.188 13.227 1.00 10.00 C ATOM 794 O GLU A 67 -3.145 2.837 14.275 1.00 10.00 O ATOM 795 CB GLU A 67 -0.627 1.824 13.465 1.00 10.00 C ATOM 796 CG GLU A 67 0.549 0.861 13.414 1.00 10.00 C ATOM 797 CD GLU A 67 0.425 -0.267 14.415 1.00 10.00 C ATOM 798 OE1 GLU A 67 0.640 -1.433 14.031 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.131 0.006 15.598 1.00 10.00 O ATOM 0 H GLU A 67 -2.051 -0.011 11.250 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.116 0.286 13.452 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.382 2.712 12.883 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.774 2.148 14.495 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.628 0.443 12.410 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.471 1.410 13.604 1.00 10.00 H new ATOM 806 N GLY A 68 -4.037 2.261 12.285 1.00 10.00 N ATOM 807 CA GLY A 68 -5.180 3.141 12.427 1.00 10.00 C ATOM 808 C GLY A 68 -4.964 4.481 11.747 1.00 10.00 C ATOM 809 O GLY A 68 -5.918 5.221 11.486 1.00 10.00 O ATOM 0 H GLY A 68 -4.022 1.721 11.420 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.061 2.659 12.004 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.382 3.302 13.486 1.00 10.00 H new ATOM 813 N GLN A 69 -3.710 4.789 11.446 1.00 10.00 N ATOM 814 CA GLN A 69 -3.355 6.046 10.802 1.00 10.00 C ATOM 815 C GLN A 69 -3.330 5.881 9.286 1.00 10.00 C ATOM 816 O GLN A 69 -2.844 4.873 8.775 1.00 10.00 O ATOM 817 CB GLN A 69 -1.984 6.524 11.287 1.00 10.00 C ATOM 818 CG GLN A 69 -1.840 6.554 12.800 1.00 10.00 C ATOM 819 CD GLN A 69 -0.434 6.915 13.241 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.535 6.668 12.525 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.311 7.490 14.425 1.00 10.00 N ATOM 0 H GLN A 69 -2.915 4.180 11.640 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.108 6.789 11.067 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.215 5.872 10.872 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.800 7.524 10.895 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.544 7.275 13.215 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -2.106 5.578 13.207 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -1.140 7.678 14.989 1.00 10.00 H new ATOM 0 HE22 GLN A 69 0.613 7.745 14.774 1.00 10.00 H new ATOM 830 N ARG A 70 -3.864 6.863 8.574 1.00 10.00 N ATOM 831 CA ARG A 70 -3.880 6.813 7.121 1.00 10.00 C ATOM 832 C ARG A 70 -2.527 7.235 6.558 1.00 10.00 C ATOM 833 O ARG A 70 -1.943 8.230 6.991 1.00 10.00 O ATOM 834 CB ARG A 70 -5.006 7.685 6.553 1.00 10.00 C ATOM 835 CG ARG A 70 -5.035 9.106 7.095 1.00 10.00 C ATOM 836 CD ARG A 70 -6.264 9.861 6.610 1.00 10.00 C ATOM 837 NE ARG A 70 -6.245 10.077 5.162 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.236 9.733 4.336 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.341 9.159 4.798 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.126 9.975 3.038 1.00 10.00 N ATOM 0 H ARG A 70 -4.289 7.698 8.976 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.072 5.784 6.817 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.906 7.725 5.468 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.962 7.208 6.768 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -5.028 9.081 8.185 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -4.135 9.635 6.782 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.161 9.304 6.881 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.321 10.823 7.118 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.420 10.520 4.757 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.441 8.975 5.796 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.089 8.902 4.155 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.286 10.423 2.672 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.881 9.713 2.405 1.00 10.00 H new ATOM 854 N ILE A 71 -2.032 6.460 5.604 1.00 10.00 N ATOM 855 CA ILE A 71 -0.741 6.727 4.977 1.00 10.00 C ATOM 856 C ILE A 71 -0.794 7.982 4.108 1.00 10.00 C ATOM 857 O ILE A 71 -1.656 8.116 3.238 1.00 10.00 O ATOM 858 CB ILE A 71 -0.286 5.529 4.111 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.186 4.256 4.961 1.00 10.00 C ATOM 860 CG2 ILE A 71 1.049 5.826 3.438 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.862 4.328 6.054 1.00 10.00 C ATOM 0 H ILE A 71 -2.508 5.633 5.243 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.022 6.883 5.781 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.033 5.368 3.334 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.157 4.057 5.415 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.040 3.412 4.309 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.350 4.970 2.834 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.947 6.703 2.799 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.806 6.017 4.199 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.872 3.391 6.611 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.842 4.495 5.608 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.626 5.150 6.731 1.00 10.00 H new ATOM 873 N ALA A 72 0.137 8.897 4.345 1.00 10.00 N ATOM 874 CA ALA A 72 0.209 10.135 3.585 1.00 10.00 C ATOM 875 C ALA A 72 0.958 9.912 2.280 1.00 10.00 C ATOM 876 O ALA A 72 1.657 8.912 2.118 1.00 10.00 O ATOM 877 CB ALA A 72 0.888 11.223 4.404 1.00 10.00 C ATOM 0 H ALA A 72 0.856 8.803 5.062 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.806 10.458 3.353 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.934 12.143 3.821 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.319 11.400 5.317 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.899 10.907 4.662 1.00 10.00 H new ATOM 883 N ASP A 73 0.817 10.846 1.352 1.00 10.00 N ATOM 884 CA ASP A 73 1.484 10.739 0.060 1.00 10.00 C ATOM 885 C ASP A 73 2.982 10.968 0.202 1.00 10.00 C ATOM 886 O ASP A 73 3.778 10.389 -0.530 1.00 10.00 O ATOM 887 CB ASP A 73 0.898 11.742 -0.939 1.00 10.00 C ATOM 888 CG ASP A 73 -0.400 11.262 -1.562 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.143 10.512 -0.896 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.694 11.649 -2.715 1.00 10.00 O ATOM 0 H ASP A 73 0.249 11.685 1.467 1.00 10.00 H new ATOM 0 HA ASP A 73 1.318 9.730 -0.316 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.723 12.692 -0.433 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.626 11.930 -1.728 1.00 10.00 H new ATOM 895 N ASN A 74 3.364 11.800 1.159 1.00 10.00 N ATOM 896 CA ASN A 74 4.772 12.109 1.388 1.00 10.00 C ATOM 897 C ASN A 74 5.382 11.183 2.438 1.00 10.00 C ATOM 898 O ASN A 74 6.510 11.398 2.888 1.00 10.00 O ATOM 899 CB ASN A 74 4.928 13.568 1.829 1.00 10.00 C ATOM 900 CG ASN A 74 4.328 13.830 3.197 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.129 14.082 3.323 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.154 13.780 4.228 1.00 10.00 N ATOM 0 H ASN A 74 2.720 12.275 1.791 1.00 10.00 H new ATOM 0 HA ASN A 74 5.304 11.955 0.449 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.986 13.828 1.844 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.451 14.218 1.096 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.804 13.954 5.170 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.141 13.568 4.081 1.00 10.00 H new ATOM 909 N HIS A 75 4.638 10.155 2.821 1.00 10.00 N ATOM 910 CA HIS A 75 5.111 9.206 3.819 1.00 10.00 C ATOM 911 C HIS A 75 6.177 8.289 3.231 1.00 10.00 C ATOM 912 O HIS A 75 6.170 7.997 2.033 1.00 10.00 O ATOM 913 CB HIS A 75 3.943 8.374 4.360 1.00 10.00 C ATOM 914 CG HIS A 75 3.560 8.701 5.772 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.268 8.551 6.220 1.00 10.00 N ATOM 916 CD2 HIS A 75 4.329 9.153 6.788 1.00 10.00 C ATOM 917 CE1 HIS A 75 2.282 8.909 7.492 1.00 10.00 C ATOM 918 NE2 HIS A 75 3.508 9.282 7.878 1.00 10.00 N ATOM 0 H HIS A 75 3.706 9.957 2.457 1.00 10.00 H new ATOM 0 HA HIS A 75 5.554 9.769 4.640 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.076 8.523 3.716 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.206 7.318 4.302 1.00 10.00 H new ATOM 0 HD2 HIS A 75 5.386 9.370 6.748 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.416 8.902 8.137 1.00 10.00 H new ATOM 0 HE2 HIS A 75 3.780 9.602 8.808 1.00 10.00 H new ATOM 926 N THR A 76 7.102 7.853 4.068 1.00 10.00 N ATOM 927 CA THR A 76 8.163 6.963 3.632 1.00 10.00 C ATOM 928 C THR A 76 8.102 5.639 4.394 1.00 10.00 C ATOM 929 O THR A 76 7.554 5.583 5.493 1.00 10.00 O ATOM 930 CB THR A 76 9.552 7.608 3.830 1.00 10.00 C ATOM 931 OG1 THR A 76 9.662 8.167 5.146 1.00 10.00 O ATOM 932 CG2 THR A 76 9.803 8.691 2.793 1.00 10.00 C ATOM 0 H THR A 76 7.139 8.102 5.056 1.00 10.00 H new ATOM 0 HA THR A 76 8.015 6.774 2.569 1.00 10.00 H new ATOM 0 HB THR A 76 10.302 6.827 3.707 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.939 8.814 5.288 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.788 9.129 2.955 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.759 8.256 1.795 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.042 9.466 2.885 1.00 10.00 H new ATOM 940 N PRO A 77 8.657 4.551 3.824 1.00 10.00 N ATOM 941 CA PRO A 77 8.660 3.232 4.471 1.00 10.00 C ATOM 942 C PRO A 77 9.638 3.168 5.644 1.00 10.00 C ATOM 943 O PRO A 77 9.647 2.207 6.414 1.00 10.00 O ATOM 944 CB PRO A 77 9.106 2.272 3.356 1.00 10.00 C ATOM 945 CG PRO A 77 9.094 3.074 2.097 1.00 10.00 C ATOM 946 CD PRO A 77 9.306 4.501 2.507 1.00 10.00 C ATOM 0 HA PRO A 77 7.684 2.988 4.890 1.00 10.00 H new ATOM 0 HB2 PRO A 77 10.101 1.875 3.557 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.432 1.419 3.282 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.880 2.744 1.418 1.00 10.00 H new ATOM 0 HG3 PRO A 77 8.147 2.957 1.570 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.365 4.754 2.566 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.851 5.198 1.803 1.00 10.00 H new ATOM 954 N LYS A 78 10.458 4.203 5.769 1.00 10.00 N ATOM 955 CA LYS A 78 11.446 4.278 6.837 1.00 10.00 C ATOM 956 C LYS A 78 10.786 4.643 8.163 1.00 10.00 C ATOM 957 O LYS A 78 11.082 4.046 9.200 1.00 10.00 O ATOM 958 CB LYS A 78 12.528 5.301 6.477 1.00 10.00 C ATOM 959 CG LYS A 78 13.600 5.488 7.547 1.00 10.00 C ATOM 960 CD LYS A 78 14.281 4.175 7.911 1.00 10.00 C ATOM 961 CE LYS A 78 15.029 3.574 6.728 1.00 10.00 C ATOM 962 NZ LYS A 78 15.706 2.306 7.097 1.00 10.00 N ATOM 0 H LYS A 78 10.458 5.006 5.140 1.00 10.00 H new ATOM 0 HA LYS A 78 11.909 3.298 6.950 1.00 10.00 H new ATOM 0 HB2 LYS A 78 13.009 4.992 5.549 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.052 6.263 6.285 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.347 6.197 7.191 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.149 5.922 8.440 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.977 4.343 8.733 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.534 3.465 8.266 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.331 3.390 5.911 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.767 4.288 6.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.205 1.925 6.268 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.389 2.487 7.860 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.998 1.617 7.422 1.00 10.00 H new ATOM 976 N GLU A 79 9.883 5.613 8.122 1.00 10.00 N ATOM 977 CA GLU A 79 9.190 6.056 9.324 1.00 10.00 C ATOM 978 C GLU A 79 8.035 5.115 9.655 1.00 10.00 C ATOM 979 O GLU A 79 7.803 4.137 8.937 1.00 10.00 O ATOM 980 CB GLU A 79 8.682 7.488 9.145 1.00 10.00 C ATOM 981 CG GLU A 79 7.653 7.639 8.042 1.00 10.00 C ATOM 982 CD GLU A 79 7.519 9.065 7.559 1.00 10.00 C ATOM 983 OE1 GLU A 79 7.320 9.969 8.397 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.611 9.287 6.336 1.00 10.00 O ATOM 0 H GLU A 79 9.614 6.107 7.271 1.00 10.00 H new ATOM 0 HA GLU A 79 9.893 6.039 10.156 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.247 7.829 10.084 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.529 8.140 8.931 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.930 7.000 7.203 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.686 7.290 8.403 1.00 10.00 H new ATOM 991 N LEU A 80 7.327 5.420 10.747 1.00 10.00 N ATOM 992 CA LEU A 80 6.188 4.624 11.216 1.00 10.00 C ATOM 993 C LEU A 80 6.652 3.281 11.778 1.00 10.00 C ATOM 994 O LEU A 80 6.592 3.052 12.986 1.00 10.00 O ATOM 995 CB LEU A 80 5.148 4.422 10.104 1.00 10.00 C ATOM 996 CG LEU A 80 4.388 5.685 9.685 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.515 5.401 8.473 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.542 6.210 10.837 1.00 10.00 C ATOM 0 H LEU A 80 7.529 6.230 11.333 1.00 10.00 H new ATOM 0 HA LEU A 80 5.708 5.181 12.021 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.651 4.012 9.228 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.426 3.676 10.435 1.00 10.00 H new ATOM 0 HG LEU A 80 5.116 6.451 9.417 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.982 6.308 8.188 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.140 5.072 7.643 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.796 4.619 8.718 1.00 10.00 H new ATOM 0 HD21 LEU A 80 3.011 7.107 10.519 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.822 5.448 11.136 1.00 10.00 H new ATOM 0 HD23 LEU A 80 4.187 6.451 11.682 1.00 10.00 H new ATOM 1010 N GLY A 81 7.130 2.407 10.907 1.00 10.00 N ATOM 1011 CA GLY A 81 7.603 1.105 11.341 1.00 10.00 C ATOM 1012 C GLY A 81 7.088 -0.017 10.464 1.00 10.00 C ATOM 1013 O GLY A 81 6.276 -0.833 10.901 1.00 10.00 O ATOM 0 H GLY A 81 7.200 2.574 9.903 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.693 1.097 11.335 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.289 0.932 12.370 1.00 10.00 H new ATOM 1017 N MET A 82 7.567 -0.063 9.229 1.00 10.00 N ATOM 1018 CA MET A 82 7.149 -1.092 8.284 1.00 10.00 C ATOM 1019 C MET A 82 8.126 -2.260 8.303 1.00 10.00 C ATOM 1020 O MET A 82 9.325 -2.073 8.534 1.00 10.00 O ATOM 1021 CB MET A 82 7.052 -0.515 6.870 1.00 10.00 C ATOM 1022 CG MET A 82 5.707 0.117 6.561 1.00 10.00 C ATOM 1023 SD MET A 82 5.618 0.784 4.887 1.00 10.00 S ATOM 1024 CE MET A 82 3.930 1.382 4.867 1.00 10.00 C ATOM 0 H MET A 82 8.246 0.601 8.856 1.00 10.00 H new ATOM 0 HA MET A 82 6.165 -1.451 8.584 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.834 0.233 6.738 1.00 10.00 H new ATOM 0 HB3 MET A 82 7.245 -1.309 6.149 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.922 -0.627 6.693 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.513 0.916 7.277 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.578 1.444 3.837 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.294 0.696 5.427 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.889 2.370 5.325 1.00 10.00 H new ATOM 1034 N GLU A 83 7.616 -3.461 8.061 1.00 10.00 N ATOM 1035 CA GLU A 83 8.446 -4.654 8.058 1.00 10.00 C ATOM 1036 C GLU A 83 7.822 -5.753 7.202 1.00 10.00 C ATOM 1037 O GLU A 83 6.707 -5.606 6.703 1.00 10.00 O ATOM 1038 CB GLU A 83 8.648 -5.161 9.489 1.00 10.00 C ATOM 1039 CG GLU A 83 10.098 -5.139 9.942 1.00 10.00 C ATOM 1040 CD GLU A 83 11.005 -5.876 8.983 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.773 -7.080 8.751 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.941 -5.251 8.449 1.00 10.00 O ATOM 0 H GLU A 83 6.630 -3.632 7.864 1.00 10.00 H new ATOM 0 HA GLU A 83 9.413 -4.391 7.630 1.00 10.00 H new ATOM 0 HB2 GLU A 83 8.054 -4.551 10.169 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.269 -6.180 9.562 1.00 10.00 H new ATOM 0 HG2 GLU A 83 10.433 -4.106 10.035 1.00 10.00 H new ATOM 0 HG3 GLU A 83 10.175 -5.589 10.932 1.00 10.00 H new ATOM 1049 N GLU A 84 8.554 -6.849 7.035 1.00 10.00 N ATOM 1050 CA GLU A 84 8.090 -7.985 6.249 1.00 10.00 C ATOM 1051 C GLU A 84 6.920 -8.670 6.956 1.00 10.00 C ATOM 1052 O GLU A 84 6.876 -8.711 8.188 1.00 10.00 O ATOM 1053 CB GLU A 84 9.251 -8.970 6.034 1.00 10.00 C ATOM 1054 CG GLU A 84 8.840 -10.324 5.473 1.00 10.00 C ATOM 1055 CD GLU A 84 8.476 -10.273 4.004 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.343 -10.579 3.159 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.313 -9.944 3.685 1.00 10.00 O ATOM 0 H GLU A 84 9.482 -6.974 7.439 1.00 10.00 H new ATOM 0 HA GLU A 84 7.742 -7.636 5.277 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.974 -8.516 5.357 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.759 -9.125 6.986 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.656 -11.032 5.614 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.989 -10.702 6.039 1.00 10.00 H new ATOM 1064 N GLU A 85 5.974 -9.182 6.165 1.00 10.00 N ATOM 1065 CA GLU A 85 4.792 -9.871 6.687 1.00 10.00 C ATOM 1066 C GLU A 85 3.886 -8.919 7.459 1.00 10.00 C ATOM 1067 O GLU A 85 3.117 -9.342 8.323 1.00 10.00 O ATOM 1068 CB GLU A 85 5.192 -11.049 7.580 1.00 10.00 C ATOM 1069 CG GLU A 85 5.372 -12.352 6.823 1.00 10.00 C ATOM 1070 CD GLU A 85 4.101 -12.809 6.141 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.121 -12.992 4.908 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.078 -12.996 6.836 1.00 10.00 O ATOM 0 H GLU A 85 6.006 -9.131 5.147 1.00 10.00 H new ATOM 0 HA GLU A 85 4.238 -10.252 5.829 1.00 10.00 H new ATOM 0 HB2 GLU A 85 6.122 -10.805 8.093 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.431 -11.187 8.348 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.156 -12.229 6.076 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.708 -13.126 7.513 1.00 10.00 H new ATOM 1079 N ASP A 86 3.972 -7.634 7.142 1.00 10.00 N ATOM 1080 CA ASP A 86 3.147 -6.637 7.810 1.00 10.00 C ATOM 1081 C ASP A 86 1.738 -6.647 7.229 1.00 10.00 C ATOM 1082 O ASP A 86 1.532 -7.070 6.090 1.00 10.00 O ATOM 1083 CB ASP A 86 3.760 -5.245 7.673 1.00 10.00 C ATOM 1084 CG ASP A 86 3.342 -4.315 8.791 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.518 -4.724 9.638 1.00 10.00 O ATOM 1086 OD2 ASP A 86 3.842 -3.174 8.838 1.00 10.00 O ATOM 0 H ASP A 86 4.600 -7.259 6.431 1.00 10.00 H new ATOM 0 HA ASP A 86 3.098 -6.888 8.870 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.847 -5.330 7.662 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.464 -4.814 6.717 1.00 10.00 H new ATOM 1091 N VAL A 87 0.773 -6.187 8.009 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.612 -6.158 7.571 1.00 10.00 C ATOM 1093 C VAL A 87 -1.118 -4.724 7.481 1.00 10.00 C ATOM 1094 O VAL A 87 -1.077 -3.976 8.463 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.528 -6.957 8.524 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.930 -7.076 7.947 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.945 -8.335 8.805 1.00 10.00 C ATOM 0 H VAL A 87 0.925 -5.828 8.951 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.644 -6.622 6.585 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.591 -6.415 9.468 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.559 -7.642 8.634 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.351 -6.081 7.806 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.886 -7.591 6.987 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.607 -8.880 9.478 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.846 -8.886 7.870 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.036 -8.228 9.269 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.581 -4.345 6.302 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.107 -3.011 6.081 1.00 10.00 C ATOM 1109 C ILE A 88 -3.552 -3.109 5.604 1.00 10.00 C ATOM 1110 O ILE A 88 -3.902 -4.009 4.834 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.241 -2.218 5.067 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.743 -0.778 4.938 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.223 -2.905 3.708 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.730 0.166 4.331 1.00 10.00 C ATOM 0 H ILE A 88 -1.603 -4.947 5.479 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.076 -2.464 7.023 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.219 -2.193 5.445 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.646 -0.770 4.327 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.023 -0.410 5.925 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.609 -2.328 3.017 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.808 -3.907 3.812 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.240 -2.972 3.321 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.156 1.167 4.271 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.165 0.189 4.953 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.467 -0.177 3.330 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.394 -2.207 6.081 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.802 -2.214 5.719 1.00 10.00 C ATOM 1128 C GLU A 89 -6.103 -1.154 4.668 1.00 10.00 C ATOM 1129 O GLU A 89 -5.464 -0.104 4.629 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.664 -1.991 6.964 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.375 -2.988 8.077 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.129 -2.682 9.353 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -6.756 -1.717 10.052 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -8.094 -3.414 9.669 1.00 10.00 O ATOM 0 H GLU A 89 -4.126 -1.459 6.721 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.041 -3.188 5.291 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.498 -0.981 7.337 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.716 -2.059 6.687 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.637 -3.990 7.737 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.305 -2.992 8.285 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.072 -1.438 3.815 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.463 -0.511 2.765 1.00 10.00 C ATOM 1143 C VAL A 90 -8.983 -0.502 2.608 1.00 10.00 C ATOM 1144 O VAL A 90 -9.618 -1.556 2.503 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.774 -0.854 1.418 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.191 -2.230 0.909 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.058 0.216 0.375 1.00 10.00 C ATOM 0 H VAL A 90 -7.605 -2.307 3.829 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.134 0.486 3.056 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.699 -0.881 1.598 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.689 -2.436 -0.036 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.912 -2.988 1.641 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.270 -2.250 0.758 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.564 -0.047 -0.560 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.133 0.287 0.210 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.681 1.176 0.727 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.567 0.689 2.632 1.00 10.00 N ATOM 1158 CA TYR A 91 -11.013 0.832 2.499 1.00 10.00 C ATOM 1159 C TYR A 91 -11.350 1.950 1.528 1.00 10.00 C ATOM 1160 O TYR A 91 -10.509 2.802 1.242 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.654 1.110 3.862 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.448 -0.008 4.857 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.149 -1.201 4.743 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.552 0.130 5.908 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.953 -2.230 5.642 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.353 -0.894 6.812 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.058 -2.069 6.677 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.863 -3.093 7.574 1.00 10.00 O ATOM 0 H TYR A 91 -9.064 1.569 2.742 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.413 -0.104 2.109 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.239 2.032 4.270 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.723 1.274 3.727 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.859 -1.326 3.938 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.002 1.053 6.020 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.498 -3.156 5.535 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.648 -0.774 7.621 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.200 -2.821 8.242 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.576 1.943 1.029 1.00 10.00 N ATOM 1179 CA GLN A 92 -13.023 2.954 0.080 1.00 10.00 C ATOM 1180 C GLN A 92 -13.263 4.285 0.775 1.00 10.00 C ATOM 1181 O GLN A 92 -13.854 4.334 1.853 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.302 2.499 -0.619 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.823 3.498 -1.638 1.00 10.00 C ATOM 1184 CD GLN A 92 -16.241 3.200 -2.074 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -16.661 2.042 -2.117 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.991 4.243 -2.387 1.00 10.00 N ATOM 0 H GLN A 92 -13.283 1.246 1.266 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.237 3.087 -0.663 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.116 1.547 -1.117 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.073 2.321 0.131 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.781 4.501 -1.212 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -14.170 3.495 -2.511 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -16.602 5.184 -2.337 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.959 4.106 -2.678 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.804 5.358 0.148 1.00 10.00 N ATOM 1196 CA GLU A 93 -12.964 6.695 0.689 1.00 10.00 C ATOM 1197 C GLU A 93 -14.367 7.220 0.431 1.00 10.00 C ATOM 1198 O GLU A 93 -14.994 6.889 -0.579 1.00 10.00 O ATOM 1199 CB GLU A 93 -11.934 7.643 0.074 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.534 7.460 0.629 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.319 8.215 1.924 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.031 7.938 2.912 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.433 9.092 1.959 1.00 10.00 O ATOM 0 H GLU A 93 -12.313 5.325 -0.745 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.805 6.645 1.766 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.911 7.491 -1.005 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.252 8.672 0.244 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.349 6.399 0.796 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.807 7.798 -0.110 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.843 8.050 1.344 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.168 8.643 1.247 1.00 10.00 C ATOM 1212 C GLN A 94 -16.232 9.597 0.060 1.00 10.00 C ATOM 1213 O GLN A 94 -17.297 9.828 -0.514 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.492 9.388 2.544 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.947 9.798 2.680 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.219 10.524 3.983 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.351 11.213 4.521 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.425 10.372 4.504 1.00 10.00 N ATOM 0 H GLN A 94 -14.322 8.332 2.174 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.904 7.853 1.095 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.224 8.755 3.390 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.868 10.280 2.603 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.221 10.441 1.844 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.579 8.912 2.621 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.117 9.793 4.028 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -19.663 10.834 5.382 1.00 10.00 H new ATOM 1227 N THR A 95 -15.077 10.140 -0.304 1.00 10.00 N ATOM 1228 CA THR A 95 -14.972 11.071 -1.417 1.00 10.00 C ATOM 1229 C THR A 95 -15.123 10.366 -2.764 1.00 10.00 C ATOM 1230 O THR A 95 -15.266 11.014 -3.803 1.00 10.00 O ATOM 1231 CB THR A 95 -13.616 11.796 -1.373 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.883 11.371 -0.214 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.809 13.305 -1.338 1.00 10.00 C ATOM 0 H THR A 95 -14.191 9.948 0.163 1.00 10.00 H new ATOM 0 HA THR A 95 -15.784 11.791 -1.316 1.00 10.00 H new ATOM 0 HB THR A 95 -13.057 11.544 -2.274 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.018 11.831 -0.187 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.836 13.796 -1.307 1.00 10.00 H new ATOM 0 HG22 THR A 95 -14.348 13.624 -2.230 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.381 13.578 -0.451 1.00 10.00 H new ATOM 1241 N GLY A 96 -15.080 9.039 -2.743 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.212 8.271 -3.965 1.00 10.00 C ATOM 1243 C GLY A 96 -13.906 8.184 -4.729 1.00 10.00 C ATOM 1244 O GLY A 96 -13.409 7.094 -5.000 1.00 10.00 O ATOM 0 H GLY A 96 -14.956 8.481 -1.899 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.558 7.266 -3.725 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.972 8.727 -4.599 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.350 9.339 -5.067 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.097 9.380 -5.798 1.00 10.00 C ATOM 1250 C GLY A 97 -11.285 10.617 -5.473 1.00 10.00 C ATOM 1251 O GLY A 97 -11.574 11.316 -4.496 1.00 10.00 O ATOM 0 H GLY A 97 -13.746 10.253 -4.847 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.512 8.491 -5.563 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.302 9.353 -6.868 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -8.403 -20.384 -4.005 1.00 10.00 N ATOM 1257 CA ASP B 195 -8.495 -18.954 -3.735 1.00 10.00 C ATOM 1258 C ASP B 195 -7.710 -18.168 -4.782 1.00 10.00 C ATOM 1259 O ASP B 195 -7.154 -18.755 -5.716 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.946 -18.648 -2.343 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.658 -17.482 -1.692 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.313 -17.687 -0.650 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.587 -16.352 -2.221 1.00 10.00 O ATOM 0 HA ASP B 195 -9.543 -18.657 -3.780 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -8.047 -19.531 -1.712 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.881 -18.427 -2.415 1.00 10.00 H new ATOM 1268 N THR B 196 -7.680 -16.853 -4.636 1.00 10.00 N ATOM 1269 CA THR B 196 -6.942 -16.007 -5.554 1.00 10.00 C ATOM 1270 C THR B 196 -5.912 -15.176 -4.800 1.00 10.00 C ATOM 1271 O THR B 196 -6.243 -14.488 -3.835 1.00 10.00 O ATOM 1272 CB THR B 196 -7.868 -15.063 -6.351 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.230 -15.220 -5.920 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.769 -15.344 -7.847 1.00 10.00 C ATOM 0 H THR B 196 -8.159 -16.350 -3.889 1.00 10.00 H new ATOM 0 HA THR B 196 -6.442 -16.670 -6.261 1.00 10.00 H new ATOM 0 HB THR B 196 -7.547 -14.038 -6.165 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.807 -14.615 -6.432 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.430 -14.667 -8.389 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.742 -15.191 -8.179 1.00 10.00 H new ATOM 0 HG23 THR B 196 -8.064 -16.375 -8.044 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.674 -15.249 -5.245 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.602 -14.490 -4.637 1.00 10.00 C ATOM 1284 C ALA B 197 -2.980 -13.582 -5.679 1.00 10.00 C ATOM 1285 O ALA B 197 -2.615 -14.037 -6.768 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.562 -15.423 -4.034 1.00 10.00 C ATOM 0 H ALA B 197 -4.385 -15.831 -6.031 1.00 10.00 H new ATOM 0 HA ALA B 197 -4.003 -13.878 -3.829 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.764 -14.834 -3.582 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -3.030 -16.046 -3.272 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.146 -16.058 -4.816 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.854 -12.310 -5.358 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.286 -11.370 -6.301 1.00 10.00 C ATOM 1294 C GLY B 198 -1.031 -10.717 -5.779 1.00 10.00 C ATOM 1295 O GLY B 198 -1.021 -10.192 -4.665 1.00 10.00 O ATOM 0 H GLY B 198 -3.133 -11.908 -4.463 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -2.062 -11.887 -7.234 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -3.023 -10.601 -6.532 1.00 10.00 H new ATOM 1299 N CYS B 199 0.020 -10.740 -6.582 1.00 10.00 N ATOM 1300 CA CYS B 199 1.282 -10.143 -6.188 1.00 10.00 C ATOM 1301 C CYS B 199 1.663 -9.028 -7.151 1.00 10.00 C ATOM 1302 O CYS B 199 1.690 -9.223 -8.368 1.00 10.00 O ATOM 1303 CB CYS B 199 2.378 -11.205 -6.163 1.00 10.00 C ATOM 1304 SG CYS B 199 1.895 -12.742 -5.339 1.00 10.00 S ATOM 0 H CYS B 199 0.023 -11.165 -7.509 1.00 10.00 H new ATOM 0 HA CYS B 199 1.171 -9.722 -5.189 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.674 -11.431 -7.187 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.255 -10.796 -5.661 1.00 10.00 H new ATOM 0 HG CYS B 199 0.657 -12.656 -4.950 1.00 10.00 H new ATOM 1310 N ILE B 200 1.948 -7.862 -6.599 1.00 10.00 N ATOM 1311 CA ILE B 200 2.320 -6.707 -7.398 1.00 10.00 C ATOM 1312 C ILE B 200 3.701 -6.195 -7.002 1.00 10.00 C ATOM 1313 O ILE B 200 4.008 -6.059 -5.816 1.00 10.00 O ATOM 1314 CB ILE B 200 1.257 -5.584 -7.296 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.798 -4.249 -7.835 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.763 -5.430 -5.861 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.741 -3.168 -7.957 1.00 10.00 C ATOM 0 H ILE B 200 1.929 -7.689 -5.594 1.00 10.00 H new ATOM 0 HA ILE B 200 2.363 -7.023 -8.440 1.00 10.00 H new ATOM 0 HB ILE B 200 0.410 -5.874 -7.918 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.592 -3.896 -7.176 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.247 -4.418 -8.814 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.018 -4.636 -5.816 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.316 -6.366 -5.528 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.602 -5.178 -5.213 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.196 -2.256 -8.343 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.042 -3.500 -8.639 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.308 -2.970 -6.976 1.00 10.00 H new ATOM 1329 N VAL B 201 4.535 -5.923 -7.999 1.00 10.00 N ATOM 1330 CA VAL B 201 5.882 -5.439 -7.753 1.00 10.00 C ATOM 1331 C VAL B 201 6.023 -4.017 -8.283 1.00 10.00 C ATOM 1332 O VAL B 201 5.656 -3.710 -9.420 1.00 10.00 O ATOM 1333 CB VAL B 201 6.955 -6.355 -8.396 1.00 10.00 C ATOM 1334 CG1 VAL B 201 6.776 -6.429 -9.911 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.351 -5.870 -8.025 1.00 10.00 C ATOM 0 H VAL B 201 4.299 -6.031 -8.985 1.00 10.00 H new ATOM 0 HA VAL B 201 6.047 -5.449 -6.676 1.00 10.00 H new ATOM 0 HB VAL B 201 6.830 -7.365 -8.005 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.542 -7.078 -10.337 1.00 10.00 H new ATOM 0 HG12 VAL B 201 5.790 -6.832 -10.142 1.00 10.00 H new ATOM 0 HG13 VAL B 201 6.869 -5.430 -10.338 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.096 -6.521 -8.482 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.490 -4.851 -8.385 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.467 -5.891 -6.941 1.00 10.00 H new ATOM 1345 N ILE B 202 6.529 -3.153 -7.429 1.00 10.00 N ATOM 1346 CA ILE B 202 6.704 -1.749 -7.739 1.00 10.00 C ATOM 1347 C ILE B 202 8.166 -1.331 -7.605 1.00 10.00 C ATOM 1348 O ILE B 202 8.837 -1.716 -6.646 1.00 10.00 O ATOM 1349 CB ILE B 202 5.828 -0.894 -6.795 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.969 0.592 -7.119 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.177 -1.164 -5.326 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.159 1.038 -8.319 1.00 10.00 C ATOM 0 H ILE B 202 6.834 -3.408 -6.490 1.00 10.00 H new ATOM 0 HA ILE B 202 6.398 -1.588 -8.773 1.00 10.00 H new ATOM 0 HB ILE B 202 4.788 -1.180 -6.953 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.663 1.174 -6.250 1.00 10.00 H new ATOM 0 HG13 ILE B 202 7.020 0.816 -7.299 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.546 -0.550 -4.683 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.009 -2.217 -5.100 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.224 -0.917 -5.150 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.312 2.104 -8.485 1.00 10.00 H new ATOM 0 HD12 ILE B 202 5.480 0.484 -9.201 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.102 0.847 -8.136 1.00 10.00 H new HETATM 1364 N SEP B 203 8.689 -0.594 -8.570 1.00 10.00 N HETATM 1365 CA SEP B 203 10.055 -0.143 -8.461 1.00 10.00 C HETATM 1366 CB SEP B 203 10.827 -0.657 -9.674 1.00 10.00 C HETATM 1367 OG SEP B 203 12.196 -0.318 -9.613 1.00 10.00 O HETATM 1368 C SEP B 203 10.078 1.368 -8.426 1.00 10.00 C HETATM 1369 O SEP B 203 9.671 2.030 -9.381 1.00 10.00 O HETATM 1370 P SEP B 203 13.168 -1.197 -8.713 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.600 -0.941 -8.947 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.825 -2.626 -8.666 1.00 10.00 O HETATM 1373 O3P SEP B 203 12.904 -0.677 -7.227 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.724 -1.740 -9.736 1.00 10.00 H new HETATM 0 HB2 SEP B 203 10.391 -0.243 -10.583 1.00 10.00 H new HETATM 0 HA SEP B 203 10.515 -0.521 -7.548 1.00 10.00 H new ATOM 1378 N ASP B 204 10.494 1.912 -7.300 1.00 10.00 N ATOM 1379 CA ASP B 204 10.590 3.352 -7.154 1.00 10.00 C ATOM 1380 C ASP B 204 11.848 3.773 -6.415 1.00 10.00 C ATOM 1381 O ASP B 204 12.138 3.241 -5.357 1.00 10.00 O ATOM 1382 CB ASP B 204 9.358 3.900 -6.483 1.00 10.00 C ATOM 1383 CG ASP B 204 9.335 5.409 -6.512 1.00 10.00 C ATOM 1384 OD1 ASP B 204 9.018 6.012 -5.478 1.00 10.00 O ATOM 1385 OD2 ASP B 204 9.646 5.997 -7.572 1.00 10.00 O ATOM 0 H ASP B 204 10.771 1.381 -6.474 1.00 10.00 H new ATOM 0 HA ASP B 204 10.657 3.776 -8.156 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.469 3.512 -6.980 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.321 3.555 -5.450 1.00 10.00 H new HETATM 1390 N SEP B 205 12.610 4.679 -6.976 1.00 10.00 N HETATM 1391 CA SEP B 205 13.817 5.167 -6.320 1.00 10.00 C HETATM 1392 CB SEP B 205 15.053 4.573 -6.924 1.00 10.00 C HETATM 1393 OG SEP B 205 15.826 3.870 -5.954 1.00 10.00 O HETATM 1394 C SEP B 205 13.943 6.681 -6.354 1.00 10.00 C HETATM 1395 O SEP B 205 13.715 7.287 -7.396 1.00 10.00 O HETATM 1396 P SEP B 205 17.410 3.812 -6.112 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.941 5.176 -5.476 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.873 3.862 -7.507 1.00 10.00 O HETATM 1399 O3P SEP B 205 18.056 2.757 -5.309 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.775 3.894 -7.730 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.658 5.364 -7.368 1.00 10.00 H new HETATM 0 HA SEP B 205 13.722 4.852 -5.281 1.00 10.00 H new ATOM 1404 N GLU B 206 14.303 7.296 -5.239 1.00 10.00 N ATOM 1405 CA GLU B 206 14.522 8.745 -5.220 1.00 10.00 C ATOM 1406 C GLU B 206 15.674 9.107 -6.160 1.00 10.00 C ATOM 1407 O GLU B 206 16.666 8.373 -6.260 1.00 10.00 O ATOM 1408 CB GLU B 206 14.836 9.241 -3.801 1.00 10.00 C ATOM 1409 CG GLU B 206 15.327 10.688 -3.730 1.00 10.00 C ATOM 1410 CD GLU B 206 14.414 11.674 -4.442 1.00 10.00 C ATOM 1411 OE1 GLU B 206 14.730 12.065 -5.589 1.00 10.00 O ATOM 1412 OE2 GLU B 206 13.382 12.060 -3.864 1.00 10.00 O ATOM 0 H GLU B 206 14.450 6.829 -4.344 1.00 10.00 H new ATOM 0 HA GLU B 206 13.606 9.231 -5.556 1.00 10.00 H new ATOM 0 HB2 GLU B 206 13.939 9.144 -3.189 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.593 8.592 -3.362 1.00 10.00 H new ATOM 0 HG2 GLU B 206 15.420 10.981 -2.684 1.00 10.00 H new ATOM 0 HG3 GLU B 206 16.324 10.747 -4.167 1.00 10.00 H new TER 1419 GLU B 206