USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 675 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 77 TYR OH : rot -94:sc= 1.89 USER MOD Set 1.2: A 79 TYR OH : rot -76:sc= 1.63 USER MOD Set 2.1: A 63 ASN :FLIP amide:sc= -0.741 F(o=-2.9,f=-0.74) USER MOD Set 2.2: A 67 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 9 LYS NZ :NH3+ -114:sc= 0.635 (180deg=-0.224) USER MOD Set 3.2: A 10 ASN : amide:sc= -2.72 K(o=-2.1,f=-14!) USER MOD Single : A 13 MET CE :methyl 169:sc= -3.17 (180deg=-3.76!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 139:sc= -2.15! (180deg=-3.42!) USER MOD Single : A 18 GLN :FLIP amide:sc= -6.57! C(o=-8.1!,f=-6.6!) USER MOD Single : A 19 GLN : amide:sc= -1.2 K(o=-1.2,f=-3.7!) USER MOD Single : A 24 CYS SG : rot -86:sc= -0.501 USER MOD Single : A 26 THR OG1 : rot 54:sc= 1.23 USER MOD Single : A 27 GLN : amide:sc= -0.0458 X(o=-0.046,f=-0.046) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc= -0.0291 (180deg=-0.259) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.821 F(o=-3.5!,f=-0.82) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= -0.217 (180deg=-0.319) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= -0.0639 (180deg=-0.283) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -1.15 (180deg=-2.35!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 172:sc= 0.0833 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.517 F(o=-2.9!,f=-0.52) USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.42 USER MOD Single : A 55 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.6) USER MOD Single : A 56 CYS SG : rot 44:sc= -3.4 USER MOD Single : A 61 SER OG : rot -49:sc= 1.01 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 69 THR OG1 : rot -126:sc= 0.285 USER MOD Single : A 70 HIS : no HD1:sc= -2 K(o=-2,f=-3.8!) USER MOD Single : A 72 THR OG1 : rot -114:sc= 0.0928 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0402 (180deg=-0.306) USER MOD Single : A 74 HIS :FLIP no HD1:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.313 F(o=-0.98,f=-0.31) USER MOD Single : A 89 LYS NZ :NH3+ 163:sc= -0.0787 (180deg=-0.44) USER MOD Single : A 90 SER OG : rot -49:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.795 5.443 7.792 1.00 0.00 N ATOM 90 CA ALA A 6 4.860 4.329 7.830 1.00 0.00 C ATOM 91 C ALA A 6 4.621 3.841 9.254 1.00 0.00 C ATOM 92 O ALA A 6 5.564 3.593 10.005 1.00 0.00 O ATOM 93 CB ALA A 6 5.364 3.189 6.958 1.00 0.00 C ATOM 0 HA ALA A 6 3.906 4.684 7.439 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.655 2.362 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.464 3.535 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.334 2.852 7.324 1.00 0.00 H new ATOM 99 N VAL A 7 3.349 3.697 9.611 1.00 0.00 N ATOM 100 CA VAL A 7 2.978 3.228 10.941 1.00 0.00 C ATOM 101 C VAL A 7 2.181 1.930 10.852 1.00 0.00 C ATOM 102 O VAL A 7 0.996 1.939 10.516 1.00 0.00 O ATOM 103 CB VAL A 7 2.150 4.283 11.702 1.00 0.00 C ATOM 104 CG1 VAL A 7 1.832 3.804 13.111 1.00 0.00 C ATOM 105 CG2 VAL A 7 2.882 5.614 11.735 1.00 0.00 C ATOM 0 H VAL A 7 2.559 3.898 8.999 1.00 0.00 H new ATOM 0 HA VAL A 7 3.903 3.050 11.489 1.00 0.00 H new ATOM 0 HB VAL A 7 1.207 4.426 11.173 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.247 4.563 13.630 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.260 2.878 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.761 3.627 13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.282 6.346 12.276 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.842 5.489 12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.048 5.963 10.716 1.00 0.00 H new ATOM 115 N ILE A 8 2.841 0.815 11.147 1.00 0.00 N ATOM 116 CA ILE A 8 2.198 -0.494 11.095 1.00 0.00 C ATOM 117 C ILE A 8 1.076 -0.598 12.126 1.00 0.00 C ATOM 118 O ILE A 8 1.052 0.144 13.107 1.00 0.00 O ATOM 119 CB ILE A 8 3.217 -1.623 11.338 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.386 -1.500 10.361 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.548 -2.984 11.199 1.00 0.00 C ATOM 122 CD1 ILE A 8 3.979 -1.622 8.908 1.00 0.00 C ATOM 0 H ILE A 8 3.822 0.791 11.425 1.00 0.00 H new ATOM 0 HA ILE A 8 1.775 -0.604 10.096 1.00 0.00 H new ATOM 0 HB ILE A 8 3.601 -1.531 12.354 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.875 -0.538 10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.122 -2.271 10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.283 -3.770 11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.743 -3.070 11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.138 -3.087 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.860 -1.525 8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.517 -2.595 8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.267 -0.834 8.662 1.00 0.00 H new ATOM 134 N LYS A 9 0.155 -1.527 11.894 1.00 0.00 N ATOM 135 CA LYS A 9 -0.969 -1.735 12.801 1.00 0.00 C ATOM 136 C LYS A 9 -1.218 -3.225 13.020 1.00 0.00 C ATOM 137 O LYS A 9 -1.102 -3.725 14.138 1.00 0.00 O ATOM 138 CB LYS A 9 -2.227 -1.062 12.245 1.00 0.00 C ATOM 139 CG LYS A 9 -3.430 -1.155 13.169 1.00 0.00 C ATOM 140 CD LYS A 9 -3.139 -0.539 14.527 1.00 0.00 C ATOM 141 CE LYS A 9 -4.345 -0.625 15.449 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.762 -2.034 15.689 1.00 0.00 N ATOM 0 H LYS A 9 0.164 -2.149 11.085 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.724 -1.284 13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.010 -0.012 12.050 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.479 -1.518 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.280 -0.648 12.713 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.713 -2.200 13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.292 -1.050 14.985 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.851 0.504 14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.109 -0.149 16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.176 -0.070 15.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.700 -2.194 15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.073 -2.679 15.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.804 -2.214 16.712 1.00 0.00 H new ATOM 156 N ASN A 10 -1.550 -3.929 11.942 1.00 0.00 N ATOM 157 CA ASN A 10 -1.805 -5.367 12.011 1.00 0.00 C ATOM 158 C ASN A 10 -1.401 -6.056 10.713 1.00 0.00 C ATOM 159 O ASN A 10 -1.109 -5.401 9.713 1.00 0.00 O ATOM 160 CB ASN A 10 -3.281 -5.640 12.308 1.00 0.00 C ATOM 161 CG ASN A 10 -3.655 -5.313 13.739 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.534 -4.173 14.182 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.113 -6.321 14.473 1.00 0.00 N ATOM 0 H ASN A 10 -1.649 -3.528 11.009 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.201 -5.773 12.822 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.899 -5.051 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.500 -6.689 12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.380 -6.164 15.445 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.197 -7.252 14.065 1.00 0.00 H new ATOM 170 N ALA A 11 -1.386 -7.387 10.737 1.00 0.00 N ATOM 171 CA ALA A 11 -1.015 -8.172 9.564 1.00 0.00 C ATOM 172 C ALA A 11 -1.079 -9.667 9.857 1.00 0.00 C ATOM 173 O ALA A 11 -1.096 -10.082 11.016 1.00 0.00 O ATOM 174 CB ALA A 11 0.377 -7.787 9.090 1.00 0.00 C ATOM 0 H ALA A 11 -1.627 -7.944 11.557 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.732 -7.953 8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.640 -8.381 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.393 -6.729 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.097 -7.975 9.886 1.00 0.00 H new ATOM 180 N ASP A 12 -1.111 -10.473 8.799 1.00 0.00 N ATOM 181 CA ASP A 12 -1.171 -11.923 8.946 1.00 0.00 C ATOM 182 C ASP A 12 -1.085 -12.611 7.586 1.00 0.00 C ATOM 183 O ASP A 12 -2.056 -13.208 7.120 1.00 0.00 O ATOM 184 CB ASP A 12 -2.464 -12.331 9.655 1.00 0.00 C ATOM 185 CG ASP A 12 -2.554 -13.828 9.889 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.611 -14.547 9.497 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.568 -14.279 10.461 1.00 0.00 O ATOM 0 H ASP A 12 -1.096 -10.147 7.833 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.319 -12.238 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.528 -11.813 10.612 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.318 -12.008 9.060 1.00 0.00 H new ATOM 192 N MET A 13 0.079 -12.524 6.949 1.00 0.00 N ATOM 193 CA MET A 13 0.273 -13.141 5.643 1.00 0.00 C ATOM 194 C MET A 13 1.746 -13.450 5.373 1.00 0.00 C ATOM 195 O MET A 13 2.230 -13.261 4.260 1.00 0.00 O ATOM 196 CB MET A 13 -0.287 -12.236 4.545 1.00 0.00 C ATOM 197 CG MET A 13 0.280 -10.826 4.564 1.00 0.00 C ATOM 198 SD MET A 13 -0.468 -9.766 3.313 1.00 0.00 S ATOM 199 CE MET A 13 -2.197 -9.877 3.764 1.00 0.00 C ATOM 0 H MET A 13 0.897 -12.035 7.314 1.00 0.00 H new ATOM 0 HA MET A 13 -0.267 -14.088 5.641 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.081 -12.688 3.575 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.371 -12.183 4.648 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.122 -10.387 5.549 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.357 -10.869 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.766 -9.129 3.212 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.573 -10.871 3.521 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.306 -9.699 4.834 1.00 0.00 H new ATOM 209 N SER A 14 2.446 -13.938 6.398 1.00 0.00 N ATOM 210 CA SER A 14 3.867 -14.296 6.282 1.00 0.00 C ATOM 211 C SER A 14 4.786 -13.072 6.305 1.00 0.00 C ATOM 212 O SER A 14 5.986 -13.207 6.536 1.00 0.00 O ATOM 213 CB SER A 14 4.120 -15.109 5.008 1.00 0.00 C ATOM 214 OG SER A 14 3.296 -16.261 4.965 1.00 0.00 O ATOM 0 H SER A 14 2.052 -14.096 7.325 1.00 0.00 H new ATOM 0 HA SER A 14 4.105 -14.903 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.928 -14.488 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.168 -15.406 4.965 1.00 0.00 H new ATOM 0 HG SER A 14 3.476 -16.761 4.142 1.00 0.00 H new ATOM 220 N GLU A 15 4.220 -11.884 6.068 1.00 0.00 N ATOM 221 CA GLU A 15 4.985 -10.630 6.062 1.00 0.00 C ATOM 222 C GLU A 15 5.628 -10.359 4.707 1.00 0.00 C ATOM 223 O GLU A 15 5.911 -9.208 4.373 1.00 0.00 O ATOM 224 CB GLU A 15 6.057 -10.617 7.160 1.00 0.00 C ATOM 225 CG GLU A 15 5.514 -10.917 8.548 1.00 0.00 C ATOM 226 CD GLU A 15 6.594 -10.918 9.612 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.771 -10.682 9.267 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.263 -11.157 10.793 1.00 0.00 O ATOM 0 H GLU A 15 3.226 -11.763 5.876 1.00 0.00 H new ATOM 0 HA GLU A 15 4.269 -9.833 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.825 -11.350 6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.540 -9.640 7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.757 -10.176 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.019 -11.888 8.538 1.00 0.00 H new ATOM 235 N ASP A 16 5.849 -11.404 3.919 1.00 0.00 N ATOM 236 CA ASP A 16 6.447 -11.233 2.603 1.00 0.00 C ATOM 237 C ASP A 16 5.589 -10.305 1.753 1.00 0.00 C ATOM 238 O ASP A 16 6.083 -9.647 0.835 1.00 0.00 O ATOM 239 CB ASP A 16 6.619 -12.585 1.907 1.00 0.00 C ATOM 240 CG ASP A 16 7.258 -12.457 0.537 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.400 -11.957 0.461 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.618 -12.858 -0.457 1.00 0.00 O ATOM 0 H ASP A 16 5.626 -12.368 4.165 1.00 0.00 H new ATOM 0 HA ASP A 16 7.433 -10.785 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.232 -13.236 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.645 -13.065 1.807 1.00 0.00 H new ATOM 247 N MET A 17 4.305 -10.236 2.085 1.00 0.00 N ATOM 248 CA MET A 17 3.391 -9.367 1.368 1.00 0.00 C ATOM 249 C MET A 17 3.368 -7.998 2.008 1.00 0.00 C ATOM 250 O MET A 17 3.193 -6.993 1.325 1.00 0.00 O ATOM 251 CB MET A 17 1.989 -9.973 1.308 1.00 0.00 C ATOM 252 CG MET A 17 1.792 -10.930 0.140 1.00 0.00 C ATOM 253 SD MET A 17 3.029 -12.241 0.088 1.00 0.00 S ATOM 254 CE MET A 17 2.693 -13.089 1.626 1.00 0.00 C ATOM 0 H MET A 17 3.879 -10.770 2.843 1.00 0.00 H new ATOM 0 HA MET A 17 3.744 -9.262 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.790 -10.503 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.257 -9.169 1.236 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.800 -11.376 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.827 -10.368 -0.793 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.756 -14.166 1.469 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.425 -12.788 2.375 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.692 -12.831 1.973 1.00 0.00 H new ATOM 264 N GLN A 18 3.598 -7.947 3.311 1.00 0.00 N ATOM 265 CA GLN A 18 3.657 -6.674 3.998 1.00 0.00 C ATOM 266 C GLN A 18 4.859 -5.902 3.470 1.00 0.00 C ATOM 267 O GLN A 18 4.894 -4.670 3.499 1.00 0.00 O ATOM 268 CB GLN A 18 3.772 -6.896 5.502 1.00 0.00 C ATOM 269 CG GLN A 18 2.655 -7.758 6.049 1.00 0.00 C ATOM 270 CD GLN A 18 2.856 -8.134 7.500 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.745 -9.422 7.791 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 3.091 -7.276 8.351 1.00 0.00 N flip ATOM 0 H GLN A 18 3.745 -8.763 3.905 1.00 0.00 H new ATOM 0 HA GLN A 18 2.747 -6.102 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.730 -7.365 5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.764 -5.932 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.709 -7.227 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.578 -8.666 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.168 -6.296 8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.209 -7.545 9.328 1.00 0.00 H new ATOM 281 N GLN A 19 5.834 -6.653 2.948 1.00 0.00 N ATOM 282 CA GLN A 19 7.033 -6.057 2.374 1.00 0.00 C ATOM 283 C GLN A 19 6.750 -5.623 0.946 1.00 0.00 C ATOM 284 O GLN A 19 6.982 -4.473 0.574 1.00 0.00 O ATOM 285 CB GLN A 19 8.197 -7.049 2.405 1.00 0.00 C ATOM 286 CG GLN A 19 8.591 -7.486 3.806 1.00 0.00 C ATOM 287 CD GLN A 19 9.045 -6.328 4.674 1.00 0.00 C ATOM 288 OE1 GLN A 19 8.287 -5.393 4.929 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.290 -6.386 5.133 1.00 0.00 N ATOM 0 H GLN A 19 5.812 -7.672 2.914 1.00 0.00 H new ATOM 0 HA GLN A 19 7.313 -5.186 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.928 -7.930 1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.061 -6.597 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.743 -7.980 4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.392 -8.222 3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.884 -7.181 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.652 -5.636 5.722 1.00 0.00 H new ATOM 298 N ASP A 20 6.219 -6.548 0.158 1.00 0.00 N ATOM 299 CA ASP A 20 5.868 -6.257 -1.225 1.00 0.00 C ATOM 300 C ASP A 20 4.718 -5.260 -1.272 1.00 0.00 C ATOM 301 O ASP A 20 4.515 -4.580 -2.272 1.00 0.00 O ATOM 302 CB ASP A 20 5.483 -7.542 -1.962 1.00 0.00 C ATOM 303 CG ASP A 20 6.609 -8.558 -1.988 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.689 -8.264 -1.434 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.411 -9.649 -2.564 1.00 0.00 O ATOM 0 H ASP A 20 6.022 -7.505 0.452 1.00 0.00 H new ATOM 0 HA ASP A 20 6.736 -5.821 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.610 -7.984 -1.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.195 -7.298 -2.984 1.00 0.00 H new ATOM 310 N ALA A 21 3.980 -5.165 -0.170 1.00 0.00 N ATOM 311 CA ALA A 21 2.865 -4.236 -0.076 1.00 0.00 C ATOM 312 C ALA A 21 3.389 -2.827 0.122 1.00 0.00 C ATOM 313 O ALA A 21 3.017 -1.903 -0.602 1.00 0.00 O ATOM 314 CB ALA A 21 1.934 -4.626 1.063 1.00 0.00 C ATOM 0 H ALA A 21 4.136 -5.722 0.670 1.00 0.00 H new ATOM 0 HA ALA A 21 2.295 -4.275 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.107 -3.918 1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.543 -5.628 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.484 -4.612 2.004 1.00 0.00 H new ATOM 320 N VAL A 22 4.277 -2.674 1.097 1.00 0.00 N ATOM 321 CA VAL A 22 4.877 -1.380 1.374 1.00 0.00 C ATOM 322 C VAL A 22 5.663 -0.900 0.161 1.00 0.00 C ATOM 323 O VAL A 22 5.794 0.301 -0.073 1.00 0.00 O ATOM 324 CB VAL A 22 5.811 -1.437 2.599 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.403 -0.066 2.889 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.067 -1.971 3.813 1.00 0.00 C ATOM 0 H VAL A 22 4.595 -3.428 1.706 1.00 0.00 H new ATOM 0 HA VAL A 22 4.069 -0.682 1.593 1.00 0.00 H new ATOM 0 HB VAL A 22 6.631 -2.119 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.059 -0.129 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.975 0.273 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.599 0.642 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.742 -2.004 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.225 -1.317 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.699 -2.975 3.602 1.00 0.00 H new ATOM 336 N ASP A 23 6.168 -1.852 -0.621 1.00 0.00 N ATOM 337 CA ASP A 23 6.920 -1.518 -1.826 1.00 0.00 C ATOM 338 C ASP A 23 5.967 -1.217 -2.954 1.00 0.00 C ATOM 339 O ASP A 23 6.071 -0.181 -3.596 1.00 0.00 O ATOM 340 CB ASP A 23 7.877 -2.647 -2.209 1.00 0.00 C ATOM 341 CG ASP A 23 8.893 -2.943 -1.121 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.851 -2.269 -0.071 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.729 -3.848 -1.322 1.00 0.00 O ATOM 0 H ASP A 23 6.071 -2.852 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 23 7.522 -0.632 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.303 -3.549 -2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.400 -2.379 -3.127 1.00 0.00 H new ATOM 348 N CYS A 24 5.007 -2.095 -3.169 1.00 0.00 N ATOM 349 CA CYS A 24 4.016 -1.854 -4.200 1.00 0.00 C ATOM 350 C CYS A 24 3.256 -0.572 -3.872 1.00 0.00 C ATOM 351 O CYS A 24 2.623 0.025 -4.739 1.00 0.00 O ATOM 352 CB CYS A 24 3.047 -3.032 -4.323 1.00 0.00 C ATOM 353 SG CYS A 24 3.796 -4.538 -4.986 1.00 0.00 S ATOM 0 H CYS A 24 4.892 -2.968 -2.654 1.00 0.00 H new ATOM 0 HA CYS A 24 4.524 -1.745 -5.158 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.629 -3.249 -3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.216 -2.739 -4.965 1.00 0.00 H new ATOM 0 HG CYS A 24 3.759 -4.506 -6.285 1.00 0.00 H new ATOM 359 N ALA A 25 3.349 -0.139 -2.610 1.00 0.00 N ATOM 360 CA ALA A 25 2.690 1.083 -2.171 1.00 0.00 C ATOM 361 C ALA A 25 3.603 2.280 -2.391 1.00 0.00 C ATOM 362 O ALA A 25 3.147 3.369 -2.737 1.00 0.00 O ATOM 363 CB ALA A 25 2.294 0.976 -0.706 1.00 0.00 C ATOM 0 H ALA A 25 3.875 -0.620 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 25 1.785 1.223 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.803 1.898 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.610 0.138 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.185 0.816 -0.099 1.00 0.00 H new ATOM 369 N THR A 26 4.901 2.062 -2.200 1.00 0.00 N ATOM 370 CA THR A 26 5.886 3.115 -2.391 1.00 0.00 C ATOM 371 C THR A 26 6.107 3.357 -3.877 1.00 0.00 C ATOM 372 O THR A 26 6.258 4.497 -4.317 1.00 0.00 O ATOM 373 CB THR A 26 7.206 2.748 -1.712 1.00 0.00 C ATOM 374 OG1 THR A 26 7.016 2.545 -0.323 1.00 0.00 O ATOM 375 CG2 THR A 26 8.281 3.800 -1.879 1.00 0.00 C ATOM 0 H THR A 26 5.292 1.165 -1.913 1.00 0.00 H new ATOM 0 HA THR A 26 5.509 4.030 -1.935 1.00 0.00 H new ATOM 0 HB THR A 26 7.537 1.834 -2.204 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.308 1.882 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.190 3.475 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.488 3.944 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.941 4.740 -1.445 1.00 0.00 H new ATOM 383 N GLN A 27 6.102 2.277 -4.649 1.00 0.00 N ATOM 384 CA GLN A 27 6.280 2.376 -6.090 1.00 0.00 C ATOM 385 C GLN A 27 4.992 2.858 -6.727 1.00 0.00 C ATOM 386 O GLN A 27 5.009 3.685 -7.639 1.00 0.00 O ATOM 387 CB GLN A 27 6.693 1.027 -6.687 1.00 0.00 C ATOM 388 CG GLN A 27 7.911 0.409 -6.019 1.00 0.00 C ATOM 389 CD GLN A 27 9.086 1.360 -5.937 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.585 1.841 -6.955 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.533 1.639 -4.718 1.00 0.00 N ATOM 0 H GLN A 27 5.977 1.326 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 27 7.077 3.091 -6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.856 0.334 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.900 1.158 -7.749 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.642 0.085 -5.014 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.209 -0.482 -6.572 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.088 1.217 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.321 2.275 -4.597 1.00 0.00 H new ATOM 400 N ALA A 28 3.868 2.357 -6.227 1.00 0.00 N ATOM 401 CA ALA A 28 2.578 2.768 -6.743 1.00 0.00 C ATOM 402 C ALA A 28 2.334 4.230 -6.405 1.00 0.00 C ATOM 403 O ALA A 28 1.794 4.984 -7.211 1.00 0.00 O ATOM 404 CB ALA A 28 1.462 1.897 -6.186 1.00 0.00 C ATOM 0 H ALA A 28 3.828 1.672 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 28 2.582 2.647 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.506 2.228 -6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.635 0.859 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.444 1.979 -5.099 1.00 0.00 H new ATOM 410 N MET A 29 2.759 4.627 -5.208 1.00 0.00 N ATOM 411 CA MET A 29 2.608 5.998 -4.758 1.00 0.00 C ATOM 412 C MET A 29 3.664 6.889 -5.401 1.00 0.00 C ATOM 413 O MET A 29 3.488 8.101 -5.505 1.00 0.00 O ATOM 414 CB MET A 29 2.717 6.063 -3.235 1.00 0.00 C ATOM 415 CG MET A 29 2.652 7.472 -2.679 1.00 0.00 C ATOM 416 SD MET A 29 1.105 8.307 -3.073 1.00 0.00 S ATOM 417 CE MET A 29 1.368 9.897 -2.293 1.00 0.00 C ATOM 0 H MET A 29 3.212 4.011 -4.533 1.00 0.00 H new ATOM 0 HA MET A 29 1.624 6.358 -5.058 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.913 5.471 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.656 5.603 -2.927 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.775 7.437 -1.597 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.485 8.053 -3.076 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.494 10.528 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.526 9.756 -1.224 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.244 10.376 -2.730 1.00 0.00 H new ATOM 427 N GLU A 30 4.760 6.279 -5.842 1.00 0.00 N ATOM 428 CA GLU A 30 5.834 7.011 -6.486 1.00 0.00 C ATOM 429 C GLU A 30 5.533 7.174 -7.971 1.00 0.00 C ATOM 430 O GLU A 30 5.765 8.233 -8.553 1.00 0.00 O ATOM 431 CB GLU A 30 7.160 6.277 -6.289 1.00 0.00 C ATOM 432 CG GLU A 30 8.325 6.923 -7.012 1.00 0.00 C ATOM 433 CD GLU A 30 8.592 8.341 -6.544 1.00 0.00 C ATOM 434 OE1 GLU A 30 8.876 8.527 -5.342 1.00 0.00 O ATOM 435 OE2 GLU A 30 8.517 9.265 -7.382 1.00 0.00 O ATOM 0 H GLU A 30 4.924 5.275 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 30 5.913 8.000 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.385 6.231 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.052 5.250 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.220 6.320 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.123 6.930 -8.083 1.00 0.00 H new ATOM 442 N LYS A 31 5.007 6.112 -8.571 1.00 0.00 N ATOM 443 CA LYS A 31 4.660 6.123 -9.987 1.00 0.00 C ATOM 444 C LYS A 31 3.246 6.662 -10.205 1.00 0.00 C ATOM 445 O LYS A 31 2.949 7.249 -11.245 1.00 0.00 O ATOM 446 CB LYS A 31 4.773 4.713 -10.571 1.00 0.00 C ATOM 447 CG LYS A 31 6.169 4.124 -10.473 1.00 0.00 C ATOM 448 CD LYS A 31 6.226 2.725 -11.065 1.00 0.00 C ATOM 449 CE LYS A 31 7.625 2.138 -10.974 1.00 0.00 C ATOM 450 NZ LYS A 31 8.626 2.962 -11.707 1.00 0.00 N ATOM 0 H LYS A 31 4.811 5.230 -8.097 1.00 0.00 H new ATOM 0 HA LYS A 31 5.361 6.782 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.074 4.057 -10.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.471 4.737 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.875 4.770 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.479 4.091 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.524 2.078 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.911 2.757 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.917 2.059 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.621 1.127 -11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.511 2.425 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.256 3.201 -12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.812 3.837 -11.176 1.00 0.00 H new ATOM 464 N TYR A 32 2.380 6.461 -9.214 1.00 0.00 N ATOM 465 CA TYR A 32 0.998 6.927 -9.293 1.00 0.00 C ATOM 466 C TYR A 32 0.615 7.705 -8.045 1.00 0.00 C ATOM 467 O TYR A 32 0.900 7.290 -6.923 1.00 0.00 O ATOM 468 CB TYR A 32 0.041 5.749 -9.489 1.00 0.00 C ATOM 469 CG TYR A 32 0.259 4.986 -10.775 1.00 0.00 C ATOM 470 CD1 TYR A 32 0.238 5.630 -12.006 1.00 0.00 C ATOM 471 CD2 TYR A 32 0.475 3.615 -10.755 1.00 0.00 C ATOM 472 CE1 TYR A 32 0.429 4.928 -13.181 1.00 0.00 C ATOM 473 CE2 TYR A 32 0.668 2.906 -11.924 1.00 0.00 C ATOM 474 CZ TYR A 32 0.644 3.566 -13.134 1.00 0.00 C ATOM 475 OH TYR A 32 0.836 2.863 -14.301 1.00 0.00 O ATOM 0 H TYR A 32 2.612 5.978 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 32 0.919 7.591 -10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.149 5.063 -8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.984 6.120 -9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.070 6.696 -12.045 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.492 3.094 -9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.410 5.443 -14.130 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.837 1.840 -11.891 1.00 0.00 H new ATOM 0 HH TYR A 32 0.975 1.915 -14.093 1.00 0.00 H new ATOM 485 N ASN A 33 -0.043 8.837 -8.254 1.00 0.00 N ATOM 486 CA ASN A 33 -0.489 9.686 -7.161 1.00 0.00 C ATOM 487 C ASN A 33 -2.003 9.831 -7.214 1.00 0.00 C ATOM 488 O ASN A 33 -2.567 10.798 -6.700 1.00 0.00 O ATOM 489 CB ASN A 33 0.168 11.070 -7.253 1.00 0.00 C ATOM 490 CG ASN A 33 1.691 11.034 -7.186 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.262 9.906 -6.771 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.349 12.031 -7.482 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.281 9.190 -9.181 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.199 9.225 -6.217 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.134 11.544 -8.187 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.207 11.695 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.877 12.879 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.366 12.010 -7.413 1.00 0.00 H new ATOM 499 N ILE A 34 -2.651 8.868 -7.860 1.00 0.00 N ATOM 500 CA ILE A 34 -4.101 8.886 -8.009 1.00 0.00 C ATOM 501 C ILE A 34 -4.793 8.411 -6.737 1.00 0.00 C ATOM 502 O ILE A 34 -5.908 8.833 -6.434 1.00 0.00 O ATOM 503 CB ILE A 34 -4.567 7.990 -9.175 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.431 7.787 -10.184 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.804 8.586 -9.833 1.00 0.00 C ATOM 506 CD1 ILE A 34 -3.864 7.325 -11.562 1.00 0.00 C ATOM 0 H ILE A 34 -2.194 8.064 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.374 9.921 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.837 7.009 -8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.887 8.726 -10.288 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.732 7.057 -9.777 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.124 7.945 -10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.606 8.662 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.569 9.579 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.987 7.211 -12.200 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.379 6.368 -11.480 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.537 8.063 -11.998 1.00 0.00 H new ATOM 518 N GLU A 35 -4.127 7.514 -6.016 1.00 0.00 N ATOM 519 CA GLU A 35 -4.660 6.939 -4.778 1.00 0.00 C ATOM 520 C GLU A 35 -5.637 5.809 -5.087 1.00 0.00 C ATOM 521 O GLU A 35 -5.604 4.756 -4.448 1.00 0.00 O ATOM 522 CB GLU A 35 -5.342 8.006 -3.914 1.00 0.00 C ATOM 523 CG GLU A 35 -4.447 9.194 -3.595 1.00 0.00 C ATOM 524 CD GLU A 35 -5.140 10.236 -2.736 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.323 10.032 -2.390 1.00 0.00 O ATOM 526 OE2 GLU A 35 -4.498 11.257 -2.411 1.00 0.00 O ATOM 0 H GLU A 35 -3.203 7.163 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.819 6.534 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.235 8.362 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.672 7.550 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.553 8.842 -3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.119 9.656 -4.526 1.00 0.00 H new ATOM 533 N LYS A 36 -6.501 6.028 -6.072 1.00 0.00 N ATOM 534 CA LYS A 36 -7.480 5.027 -6.472 1.00 0.00 C ATOM 535 C LYS A 36 -6.860 4.011 -7.429 1.00 0.00 C ATOM 536 O LYS A 36 -7.327 2.877 -7.531 1.00 0.00 O ATOM 537 CB LYS A 36 -8.687 5.698 -7.131 1.00 0.00 C ATOM 538 CG LYS A 36 -9.763 4.719 -7.570 1.00 0.00 C ATOM 539 CD LYS A 36 -10.937 5.435 -8.219 1.00 0.00 C ATOM 540 CE LYS A 36 -12.014 4.456 -8.658 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.169 5.147 -9.294 1.00 0.00 N ATOM 0 H LYS A 36 -6.542 6.894 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.811 4.500 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.121 6.413 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.348 6.265 -7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.339 4.002 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.113 4.151 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.361 6.152 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.587 6.003 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.588 3.740 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.362 3.888 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.880 4.444 -9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.592 5.812 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.843 5.668 -10.133 1.00 0.00 H new ATOM 555 N ASP A 37 -5.787 4.414 -8.108 1.00 0.00 N ATOM 556 CA ASP A 37 -5.089 3.529 -9.024 1.00 0.00 C ATOM 557 C ASP A 37 -3.985 2.803 -8.281 1.00 0.00 C ATOM 558 O ASP A 37 -3.517 1.749 -8.705 1.00 0.00 O ATOM 559 CB ASP A 37 -4.546 4.306 -10.222 1.00 0.00 C ATOM 560 CG ASP A 37 -5.642 4.623 -11.223 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.155 3.676 -11.857 1.00 0.00 O ATOM 562 OD2 ASP A 37 -6.003 5.809 -11.360 1.00 0.00 O ATOM 0 H ASP A 37 -5.386 5.349 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.788 2.789 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.087 5.233 -9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.764 3.725 -10.710 1.00 0.00 H new ATOM 567 N ILE A 38 -3.615 3.358 -7.132 1.00 0.00 N ATOM 568 CA ILE A 38 -2.616 2.748 -6.279 1.00 0.00 C ATOM 569 C ILE A 38 -3.222 1.491 -5.693 1.00 0.00 C ATOM 570 O ILE A 38 -2.560 0.471 -5.514 1.00 0.00 O ATOM 571 CB ILE A 38 -2.222 3.670 -5.107 1.00 0.00 C ATOM 572 CG1 ILE A 38 -1.978 5.096 -5.595 1.00 0.00 C ATOM 573 CG2 ILE A 38 -0.985 3.130 -4.402 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.823 5.210 -6.552 1.00 0.00 C ATOM 0 H ILE A 38 -3.997 4.233 -6.774 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.725 2.547 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.048 3.691 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.881 5.465 -6.081 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.793 5.740 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.719 3.791 -3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.193 2.132 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.156 3.080 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.706 6.249 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.090 4.871 -6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.015 4.592 -7.429 1.00 0.00 H new ATOM 586 N ALA A 39 -4.516 1.589 -5.424 1.00 0.00 N ATOM 587 CA ALA A 39 -5.274 0.477 -4.869 1.00 0.00 C ATOM 588 C ALA A 39 -5.678 -0.478 -5.975 1.00 0.00 C ATOM 589 O ALA A 39 -5.843 -1.677 -5.753 1.00 0.00 O ATOM 590 CB ALA A 39 -6.500 0.990 -4.125 1.00 0.00 C ATOM 0 H ALA A 39 -5.066 2.433 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.645 -0.060 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.056 0.147 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.185 1.645 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.137 1.546 -4.813 1.00 0.00 H new ATOM 596 N ALA A 40 -5.811 0.066 -7.174 1.00 0.00 N ATOM 597 CA ALA A 40 -6.172 -0.728 -8.335 1.00 0.00 C ATOM 598 C ALA A 40 -4.927 -1.356 -8.946 1.00 0.00 C ATOM 599 O ALA A 40 -5.002 -2.381 -9.620 1.00 0.00 O ATOM 600 CB ALA A 40 -6.896 0.129 -9.362 1.00 0.00 C ATOM 0 H ALA A 40 -5.674 1.058 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.846 -1.524 -8.019 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.159 -0.482 -10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.803 0.540 -8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.246 0.944 -9.679 1.00 0.00 H new ATOM 606 N TYR A 41 -3.778 -0.735 -8.688 1.00 0.00 N ATOM 607 CA TYR A 41 -2.505 -1.232 -9.202 1.00 0.00 C ATOM 608 C TYR A 41 -1.941 -2.295 -8.270 1.00 0.00 C ATOM 609 O TYR A 41 -1.241 -3.211 -8.697 1.00 0.00 O ATOM 610 CB TYR A 41 -1.497 -0.089 -9.345 1.00 0.00 C ATOM 611 CG TYR A 41 -0.179 -0.500 -9.973 1.00 0.00 C ATOM 612 CD1 TYR A 41 -0.042 -1.715 -10.638 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.928 0.336 -9.908 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.160 -2.082 -11.215 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.133 -0.025 -10.483 1.00 0.00 C ATOM 616 CZ TYR A 41 2.242 -1.235 -11.133 1.00 0.00 C ATOM 617 OH TYR A 41 3.440 -1.597 -11.707 1.00 0.00 O ATOM 0 H TYR A 41 -3.703 0.113 -8.126 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.682 -1.670 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.944 0.701 -9.948 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.301 0.334 -8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.889 -2.382 -10.705 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.847 1.285 -9.399 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.249 -3.028 -11.727 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.984 0.638 -10.423 1.00 0.00 H new ATOM 0 HH TYR A 41 4.101 -0.888 -11.560 1.00 0.00 H new ATOM 627 N ILE A 42 -2.271 -2.168 -6.994 1.00 0.00 N ATOM 628 CA ILE A 42 -1.826 -3.113 -5.982 1.00 0.00 C ATOM 629 C ILE A 42 -2.823 -4.253 -5.877 1.00 0.00 C ATOM 630 O ILE A 42 -2.475 -5.378 -5.520 1.00 0.00 O ATOM 631 CB ILE A 42 -1.688 -2.429 -4.607 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.679 -1.283 -4.687 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.264 -3.435 -3.545 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.812 -0.289 -3.555 1.00 0.00 C ATOM 0 H ILE A 42 -2.852 -1.411 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.849 -3.496 -6.278 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.659 -2.023 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.330 -1.695 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.806 -0.762 -5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.173 -2.931 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.012 -4.224 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.303 -3.870 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.067 0.498 -3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.809 0.150 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.656 -0.798 -2.604 1.00 0.00 H new ATOM 646 N LYS A 43 -4.069 -3.952 -6.218 1.00 0.00 N ATOM 647 CA LYS A 43 -5.124 -4.945 -6.189 1.00 0.00 C ATOM 648 C LYS A 43 -5.036 -5.802 -7.430 1.00 0.00 C ATOM 649 O LYS A 43 -5.313 -6.999 -7.392 1.00 0.00 O ATOM 650 CB LYS A 43 -6.501 -4.281 -6.110 1.00 0.00 C ATOM 651 CG LYS A 43 -7.656 -5.266 -6.133 1.00 0.00 C ATOM 652 CD LYS A 43 -8.996 -4.559 -6.023 1.00 0.00 C ATOM 653 CE LYS A 43 -10.150 -5.547 -6.039 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.176 -6.352 -7.292 1.00 0.00 N ATOM 0 H LYS A 43 -4.370 -3.025 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.997 -5.565 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.558 -3.690 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.609 -3.588 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.624 -5.844 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.548 -5.973 -5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.027 -3.977 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.106 -3.856 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.068 -6.214 -5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.091 -5.007 -5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.033 -6.940 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.177 -5.715 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.336 -6.964 -7.329 1.00 0.00 H new ATOM 668 N LYS A 44 -4.630 -5.181 -8.530 1.00 0.00 N ATOM 669 CA LYS A 44 -4.491 -5.907 -9.782 1.00 0.00 C ATOM 670 C LYS A 44 -3.143 -6.599 -9.832 1.00 0.00 C ATOM 671 O LYS A 44 -3.004 -7.678 -10.413 1.00 0.00 O ATOM 672 CB LYS A 44 -4.657 -4.965 -10.982 1.00 0.00 C ATOM 673 CG LYS A 44 -3.531 -3.952 -11.152 1.00 0.00 C ATOM 674 CD LYS A 44 -2.348 -4.521 -11.927 1.00 0.00 C ATOM 675 CE LYS A 44 -2.744 -4.923 -13.340 1.00 0.00 C ATOM 676 NZ LYS A 44 -3.319 -3.781 -14.104 1.00 0.00 N ATOM 0 H LYS A 44 -4.394 -4.190 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.277 -6.660 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.730 -5.564 -11.890 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.599 -4.427 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.913 -3.073 -11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.193 -3.621 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.550 -3.780 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.950 -5.388 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.870 -5.308 -13.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.472 -5.733 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.371 -4.029 -15.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.274 -3.572 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.714 -2.943 -13.984 1.00 0.00 H new ATOM 690 N GLU A 45 -2.148 -5.980 -9.205 1.00 0.00 N ATOM 691 CA GLU A 45 -0.812 -6.556 -9.181 1.00 0.00 C ATOM 692 C GLU A 45 -0.752 -7.722 -8.204 1.00 0.00 C ATOM 693 O GLU A 45 0.051 -8.640 -8.371 1.00 0.00 O ATOM 694 CB GLU A 45 0.236 -5.504 -8.822 1.00 0.00 C ATOM 695 CG GLU A 45 1.663 -6.021 -8.908 1.00 0.00 C ATOM 696 CD GLU A 45 2.694 -4.931 -8.696 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.661 -3.929 -9.441 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.540 -5.083 -7.791 1.00 0.00 O ATOM 0 H GLU A 45 -2.241 -5.091 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.588 -6.926 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.126 -4.649 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.048 -5.145 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.808 -6.802 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.821 -6.480 -9.884 1.00 0.00 H new ATOM 705 N PHE A 46 -1.610 -7.691 -7.187 1.00 0.00 N ATOM 706 CA PHE A 46 -1.645 -8.762 -6.204 1.00 0.00 C ATOM 707 C PHE A 46 -2.491 -9.933 -6.685 1.00 0.00 C ATOM 708 O PHE A 46 -2.056 -11.079 -6.625 1.00 0.00 O ATOM 709 CB PHE A 46 -2.153 -8.248 -4.857 1.00 0.00 C ATOM 710 CG PHE A 46 -1.075 -7.629 -4.010 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.284 -6.605 -4.505 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.852 -8.078 -2.718 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.710 -6.040 -3.727 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.139 -7.518 -1.936 1.00 0.00 C ATOM 715 CZ PHE A 46 0.922 -6.497 -2.441 1.00 0.00 C ATOM 0 H PHE A 46 -2.283 -6.942 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.624 -9.121 -6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.937 -7.511 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.607 -9.074 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.445 -6.244 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.461 -8.875 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.320 -5.242 -4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.302 -7.878 -0.931 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.698 -6.058 -1.831 1.00 0.00 H new ATOM 725 N ASP A 47 -3.693 -9.655 -7.171 1.00 0.00 N ATOM 726 CA ASP A 47 -4.560 -10.725 -7.652 1.00 0.00 C ATOM 727 C ASP A 47 -3.965 -11.377 -8.898 1.00 0.00 C ATOM 728 O ASP A 47 -4.222 -12.547 -9.181 1.00 0.00 O ATOM 729 CB ASP A 47 -5.973 -10.211 -7.951 1.00 0.00 C ATOM 730 CG ASP A 47 -6.026 -9.253 -9.129 1.00 0.00 C ATOM 731 OD1 ASP A 47 -5.503 -9.607 -10.207 1.00 0.00 O ATOM 732 OD2 ASP A 47 -6.614 -8.163 -8.980 1.00 0.00 O ATOM 0 H ASP A 47 -4.086 -8.716 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.632 -11.471 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.626 -11.060 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.365 -9.710 -7.066 1.00 0.00 H new ATOM 737 N LYS A 48 -3.176 -10.609 -9.646 1.00 0.00 N ATOM 738 CA LYS A 48 -2.555 -11.111 -10.865 1.00 0.00 C ATOM 739 C LYS A 48 -1.309 -11.951 -10.567 1.00 0.00 C ATOM 740 O LYS A 48 -0.743 -12.563 -11.472 1.00 0.00 O ATOM 741 CB LYS A 48 -2.192 -9.945 -11.787 1.00 0.00 C ATOM 742 CG LYS A 48 -1.558 -10.379 -13.100 1.00 0.00 C ATOM 743 CD LYS A 48 -1.266 -9.188 -13.999 1.00 0.00 C ATOM 744 CE LYS A 48 -2.536 -8.433 -14.358 1.00 0.00 C ATOM 745 NZ LYS A 48 -2.264 -7.285 -15.265 1.00 0.00 N ATOM 0 H LYS A 48 -2.953 -9.638 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.278 -11.758 -11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.092 -9.369 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.505 -9.280 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.633 -10.919 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.224 -11.071 -13.616 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.571 -8.514 -13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.776 -9.531 -14.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.240 -9.114 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.012 -8.070 -13.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.070 -6.628 -15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.405 -6.790 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.127 -7.634 -16.235 1.00 0.00 H new ATOM 759 N LYS A 49 -0.876 -11.983 -9.306 1.00 0.00 N ATOM 760 CA LYS A 49 0.308 -12.761 -8.941 1.00 0.00 C ATOM 761 C LYS A 49 0.263 -13.234 -7.492 1.00 0.00 C ATOM 762 O LYS A 49 1.297 -13.536 -6.895 1.00 0.00 O ATOM 763 CB LYS A 49 1.577 -11.943 -9.183 1.00 0.00 C ATOM 764 CG LYS A 49 1.758 -11.510 -10.630 1.00 0.00 C ATOM 765 CD LYS A 49 3.036 -10.709 -10.817 1.00 0.00 C ATOM 766 CE LYS A 49 3.216 -10.276 -12.262 1.00 0.00 C ATOM 767 NZ LYS A 49 4.465 -9.489 -12.457 1.00 0.00 N ATOM 0 H LYS A 49 -1.319 -11.488 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 49 0.318 -13.647 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.555 -11.057 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.442 -12.532 -8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.781 -12.389 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.903 -10.910 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.013 -9.830 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.891 -11.309 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.238 -11.156 -12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.359 -9.678 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.549 -9.213 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.434 -8.635 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.286 -10.068 -12.187 1.00 0.00 H new ATOM 781 N TYR A 50 -0.936 -13.309 -6.938 1.00 0.00 N ATOM 782 CA TYR A 50 -1.122 -13.765 -5.560 1.00 0.00 C ATOM 783 C TYR A 50 -2.475 -14.456 -5.378 1.00 0.00 C ATOM 784 O TYR A 50 -2.865 -14.773 -4.255 1.00 0.00 O ATOM 785 CB TYR A 50 -1.001 -12.605 -4.559 1.00 0.00 C ATOM 786 CG TYR A 50 0.356 -11.928 -4.539 1.00 0.00 C ATOM 787 CD1 TYR A 50 0.779 -11.129 -5.595 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.213 -12.092 -3.458 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.016 -10.513 -5.574 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.452 -11.478 -3.430 1.00 0.00 C ATOM 791 CZ TYR A 50 2.848 -10.691 -4.490 1.00 0.00 C ATOM 792 OH TYR A 50 4.080 -10.079 -4.464 1.00 0.00 O ATOM 0 H TYR A 50 -1.801 -13.060 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.328 -14.484 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.761 -11.860 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.220 -12.980 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.130 -10.987 -6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.907 -12.709 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.329 -9.895 -6.403 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.106 -11.615 -2.582 1.00 0.00 H new ATOM 0 HH TYR A 50 4.487 -10.200 -3.581 1.00 0.00 H new ATOM 802 N ASN A 51 -3.184 -14.692 -6.488 1.00 0.00 N ATOM 803 CA ASN A 51 -4.486 -15.354 -6.466 1.00 0.00 C ATOM 804 C ASN A 51 -5.588 -14.364 -6.106 1.00 0.00 C ATOM 805 O ASN A 51 -5.488 -13.646 -5.111 1.00 0.00 O ATOM 806 CB ASN A 51 -4.491 -16.538 -5.489 1.00 0.00 C ATOM 807 CG ASN A 51 -3.375 -17.545 -5.749 1.00 0.00 C ATOM 808 OD1 ASN A 51 -2.543 -17.303 -6.765 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -3.260 -18.541 -5.035 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.869 -14.429 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.679 -15.741 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.398 -16.159 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.452 -17.048 -5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.913 -18.696 -4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.512 -19.211 -5.212 1.00 0.00 H new ATOM 816 N PRO A 52 -6.656 -14.302 -6.922 1.00 0.00 N ATOM 817 CA PRO A 52 -7.771 -13.380 -6.687 1.00 0.00 C ATOM 818 C PRO A 52 -8.583 -13.741 -5.436 1.00 0.00 C ATOM 819 O PRO A 52 -8.912 -14.907 -5.221 1.00 0.00 O ATOM 820 CB PRO A 52 -8.634 -13.532 -7.945 1.00 0.00 C ATOM 821 CG PRO A 52 -8.300 -14.881 -8.477 1.00 0.00 C ATOM 822 CD PRO A 52 -6.855 -15.112 -8.140 1.00 0.00 C ATOM 0 HA PRO A 52 -7.421 -12.363 -6.512 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.695 -13.452 -7.708 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.410 -12.753 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.933 -15.646 -8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.462 -14.927 -9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.648 -16.167 -7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.197 -14.791 -8.948 1.00 0.00 H new ATOM 830 N THR A 53 -8.907 -12.736 -4.615 1.00 0.00 N ATOM 831 CA THR A 53 -8.512 -11.364 -4.881 1.00 0.00 C ATOM 832 C THR A 53 -8.312 -10.608 -3.589 1.00 0.00 C ATOM 833 O THR A 53 -8.950 -10.886 -2.577 1.00 0.00 O ATOM 834 CB THR A 53 -9.556 -10.661 -5.727 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.059 -11.524 -6.730 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.019 -9.428 -6.415 1.00 0.00 C ATOM 0 H THR A 53 -9.446 -12.857 -3.757 1.00 0.00 H new ATOM 0 HA THR A 53 -7.570 -11.386 -5.428 1.00 0.00 H new ATOM 0 HB THR A 53 -10.344 -10.367 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.732 -11.050 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.811 -8.967 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.665 -8.719 -5.667 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.193 -9.707 -7.070 1.00 0.00 H new ATOM 844 N TRP A 54 -7.408 -9.657 -3.635 1.00 0.00 N ATOM 845 CA TRP A 54 -7.092 -8.859 -2.463 1.00 0.00 C ATOM 846 C TRP A 54 -7.860 -7.549 -2.444 1.00 0.00 C ATOM 847 O TRP A 54 -8.194 -6.992 -3.488 1.00 0.00 O ATOM 848 CB TRP A 54 -5.593 -8.601 -2.398 1.00 0.00 C ATOM 849 CG TRP A 54 -4.809 -9.870 -2.413 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.393 -10.571 -3.509 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.395 -10.619 -1.274 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.716 -11.697 -3.117 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.705 -11.751 -1.744 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.535 -10.433 0.101 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.153 -12.695 -0.881 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.990 -11.369 0.959 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.304 -12.487 0.465 1.00 0.00 C ATOM 0 H TRP A 54 -6.876 -9.413 -4.470 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.398 -9.424 -1.583 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.295 -7.980 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.360 -8.041 -1.492 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.571 -10.281 -4.534 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.291 -12.382 -3.742 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.060 -9.572 0.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.626 -13.559 -1.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.094 -11.237 2.026 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.885 -13.200 1.160 1.00 0.00 H new ATOM 868 N HIS A 55 -8.144 -7.073 -1.239 1.00 0.00 N ATOM 869 CA HIS A 55 -8.886 -5.828 -1.068 1.00 0.00 C ATOM 870 C HIS A 55 -8.001 -4.725 -0.489 1.00 0.00 C ATOM 871 O HIS A 55 -8.272 -4.202 0.592 1.00 0.00 O ATOM 872 CB HIS A 55 -10.096 -6.056 -0.163 1.00 0.00 C ATOM 873 CG HIS A 55 -11.071 -7.055 -0.709 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.735 -8.365 -0.977 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.380 -6.929 -1.036 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.793 -9.002 -1.448 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.803 -8.153 -1.492 1.00 0.00 N ATOM 0 H HIS A 55 -7.873 -7.528 -0.367 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.227 -5.505 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.750 -6.394 0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.609 -5.106 -0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.978 -6.034 -0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.826 -10.040 -1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.746 -8.371 -1.813 1.00 0.00 H new ATOM 886 N CYS A 56 -6.948 -4.370 -1.220 1.00 0.00 N ATOM 887 CA CYS A 56 -6.035 -3.320 -0.778 1.00 0.00 C ATOM 888 C CYS A 56 -6.654 -1.942 -0.993 1.00 0.00 C ATOM 889 O CYS A 56 -6.569 -1.370 -2.078 1.00 0.00 O ATOM 890 CB CYS A 56 -4.695 -3.424 -1.514 1.00 0.00 C ATOM 891 SG CYS A 56 -4.817 -3.304 -3.312 1.00 0.00 S ATOM 0 H CYS A 56 -6.706 -4.792 -2.117 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.854 -3.454 0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.035 -2.635 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.226 -4.374 -1.257 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.637 -2.346 -3.628 1.00 0.00 H new ATOM 897 N ILE A 57 -7.279 -1.417 0.057 1.00 0.00 N ATOM 898 CA ILE A 57 -7.914 -0.112 -0.003 1.00 0.00 C ATOM 899 C ILE A 57 -7.045 0.933 0.673 1.00 0.00 C ATOM 900 O ILE A 57 -6.135 0.597 1.428 1.00 0.00 O ATOM 901 CB ILE A 57 -9.297 -0.136 0.676 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.153 -1.254 0.083 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.990 1.212 0.530 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.572 -1.273 0.606 1.00 0.00 C ATOM 0 H ILE A 57 -7.357 -1.881 0.962 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.041 0.144 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.161 -0.331 1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.176 -1.146 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.683 -2.213 0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.965 1.174 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.381 1.986 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.120 1.441 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.120 -2.093 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.560 -1.412 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.060 -0.328 0.367 1.00 0.00 H new ATOM 916 N VAL A 58 -7.317 2.201 0.394 1.00 0.00 N ATOM 917 CA VAL A 58 -6.542 3.280 0.975 1.00 0.00 C ATOM 918 C VAL A 58 -7.441 4.321 1.646 1.00 0.00 C ATOM 919 O VAL A 58 -8.552 4.580 1.185 1.00 0.00 O ATOM 920 CB VAL A 58 -5.687 3.964 -0.108 1.00 0.00 C ATOM 921 CG1 VAL A 58 -6.564 4.751 -1.073 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.629 4.855 0.521 1.00 0.00 C ATOM 0 H VAL A 58 -8.066 2.503 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.894 2.845 1.736 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.175 3.188 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.938 5.225 -1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.269 4.076 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.113 5.516 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.038 5.327 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.112 5.624 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.977 4.254 1.155 1.00 0.00 H new ATOM 932 N GLY A 59 -6.950 4.921 2.730 1.00 0.00 N ATOM 933 CA GLY A 59 -7.724 5.932 3.434 1.00 0.00 C ATOM 934 C GLY A 59 -6.849 6.857 4.261 1.00 0.00 C ATOM 935 O GLY A 59 -5.692 7.090 3.920 1.00 0.00 O ATOM 0 H GLY A 59 -6.033 4.726 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.290 6.521 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.449 5.443 4.085 1.00 0.00 H new ATOM 939 N ARG A 60 -7.399 7.388 5.351 1.00 0.00 N ATOM 940 CA ARG A 60 -6.647 8.291 6.214 1.00 0.00 C ATOM 941 C ARG A 60 -7.004 8.091 7.683 1.00 0.00 C ATOM 942 O ARG A 60 -7.829 8.815 8.240 1.00 0.00 O ATOM 943 CB ARG A 60 -6.895 9.742 5.811 1.00 0.00 C ATOM 944 CG ARG A 60 -6.455 10.059 4.394 1.00 0.00 C ATOM 945 CD ARG A 60 -6.679 11.520 4.061 1.00 0.00 C ATOM 946 NE ARG A 60 -5.894 12.405 4.917 1.00 0.00 N ATOM 947 CZ ARG A 60 -5.908 13.733 4.824 1.00 0.00 C ATOM 948 NH1 ARG A 60 -6.667 14.334 3.915 1.00 0.00 N ATOM 949 NH2 ARG A 60 -5.162 14.463 5.642 1.00 0.00 N ATOM 0 H ARG A 60 -8.356 7.209 5.655 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.589 8.059 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.958 9.962 5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.367 10.398 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.399 9.815 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.007 9.435 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.416 11.698 3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.737 11.758 4.168 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.299 11.980 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.243 13.778 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.674 15.352 3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.577 14.007 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.173 15.480 5.571 1.00 0.00 H new ATOM 963 N SER A 61 -6.363 7.105 8.301 1.00 0.00 N ATOM 964 CA SER A 61 -6.584 6.790 9.711 1.00 0.00 C ATOM 965 C SER A 61 -8.069 6.812 10.061 1.00 0.00 C ATOM 966 O SER A 61 -8.466 7.333 11.103 1.00 0.00 O ATOM 967 CB SER A 61 -5.825 7.777 10.598 1.00 0.00 C ATOM 968 OG SER A 61 -6.019 7.485 11.971 1.00 0.00 O ATOM 0 H SER A 61 -5.679 6.503 7.843 1.00 0.00 H new ATOM 0 HA SER A 61 -6.209 5.782 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.762 7.739 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.162 8.792 10.388 1.00 0.00 H new ATOM 0 HG SER A 61 -6.976 7.376 12.150 1.00 0.00 H new ATOM 974 N GLY A 62 -8.882 6.243 9.182 1.00 0.00 N ATOM 975 CA GLY A 62 -10.314 6.210 9.414 1.00 0.00 C ATOM 976 C GLY A 62 -10.763 4.974 10.175 1.00 0.00 C ATOM 977 O GLY A 62 -11.954 4.667 10.216 1.00 0.00 O ATOM 0 H GLY A 62 -8.577 5.804 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.607 7.100 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.833 6.249 8.456 1.00 0.00 H new ATOM 981 N ASN A 63 -9.813 4.261 10.778 1.00 0.00 N ATOM 982 CA ASN A 63 -10.130 3.052 11.534 1.00 0.00 C ATOM 983 C ASN A 63 -10.958 2.096 10.682 1.00 0.00 C ATOM 984 O ASN A 63 -12.065 1.708 11.053 1.00 0.00 O ATOM 985 CB ASN A 63 -10.889 3.411 12.817 1.00 0.00 C ATOM 986 CG ASN A 63 -11.151 2.215 13.727 1.00 0.00 C ATOM 987 OD1 ASN A 63 -10.575 1.056 13.407 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -11.860 2.339 14.726 1.00 0.00 N flip ATOM 0 H ASN A 63 -8.821 4.499 10.758 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.197 2.558 11.806 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.319 4.159 13.369 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.841 3.869 12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.285 3.241 14.941 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.022 1.540 15.339 1.00 0.00 H new ATOM 995 N PHE A 64 -10.409 1.733 9.532 1.00 0.00 N ATOM 996 CA PHE A 64 -11.083 0.834 8.605 1.00 0.00 C ATOM 997 C PHE A 64 -10.243 -0.406 8.305 1.00 0.00 C ATOM 998 O PHE A 64 -10.548 -1.157 7.380 1.00 0.00 O ATOM 999 CB PHE A 64 -11.399 1.577 7.306 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.238 2.374 6.780 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.064 1.748 6.389 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.316 3.755 6.693 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -7.994 2.486 5.920 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.251 4.494 6.222 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.087 3.859 5.836 1.00 0.00 C ATOM 0 H PHE A 64 -9.492 2.050 9.217 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.008 0.500 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.709 0.856 6.549 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.243 2.245 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -8.985 0.673 6.452 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -11.222 4.258 6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.085 1.987 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.327 5.569 6.155 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.251 4.437 5.469 1.00 0.00 H new ATOM 1015 N GLY A 65 -9.188 -0.616 9.087 1.00 0.00 N ATOM 1016 CA GLY A 65 -8.333 -1.769 8.871 1.00 0.00 C ATOM 1017 C GLY A 65 -8.502 -2.835 9.936 1.00 0.00 C ATOM 1018 O GLY A 65 -7.618 -3.669 10.133 1.00 0.00 O ATOM 0 H GLY A 65 -8.911 -0.013 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.552 -2.200 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.293 -1.445 8.850 1.00 0.00 H new ATOM 1022 N SER A 66 -9.641 -2.813 10.626 1.00 0.00 N ATOM 1023 CA SER A 66 -9.910 -3.792 11.671 1.00 0.00 C ATOM 1024 C SER A 66 -11.409 -4.051 11.812 1.00 0.00 C ATOM 1025 O SER A 66 -11.945 -4.059 12.920 1.00 0.00 O ATOM 1026 CB SER A 66 -9.337 -3.311 13.006 1.00 0.00 C ATOM 1027 OG SER A 66 -7.933 -3.131 12.924 1.00 0.00 O ATOM 0 H SER A 66 -10.386 -2.132 10.480 1.00 0.00 H new ATOM 0 HA SER A 66 -9.427 -4.727 11.388 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.811 -2.372 13.291 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.569 -4.035 13.787 1.00 0.00 H new ATOM 0 HG SER A 66 -7.592 -2.822 13.789 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.079 -4.270 10.683 1.00 0.00 N ATOM 1034 CA TYR A 67 -13.516 -4.533 10.692 1.00 0.00 C ATOM 1035 C TYR A 67 -13.952 -5.308 9.454 1.00 0.00 C ATOM 1036 O TYR A 67 -14.798 -6.199 9.537 1.00 0.00 O ATOM 1037 CB TYR A 67 -14.303 -3.224 10.790 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.074 -2.471 12.081 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -14.425 -3.028 13.305 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -13.509 -1.202 12.077 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -14.219 -2.342 14.486 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -13.299 -0.510 13.254 1.00 0.00 C ATOM 1043 CZ TYR A 67 -13.656 -1.084 14.455 1.00 0.00 C ATOM 1044 OH TYR A 67 -13.448 -0.397 15.631 1.00 0.00 O ATOM 0 H TYR A 67 -11.653 -4.271 9.756 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.729 -5.145 11.568 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.029 -2.582 9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.366 -3.442 10.691 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.866 -4.013 13.333 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.229 -0.749 11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.498 -2.789 15.429 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -12.857 0.475 13.233 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.286 -1.034 16.358 1.00 0.00 H new ATOM 1054 N VAL A 68 -13.371 -4.972 8.310 1.00 0.00 N ATOM 1055 CA VAL A 68 -13.704 -5.645 7.062 1.00 0.00 C ATOM 1056 C VAL A 68 -13.090 -7.043 7.005 1.00 0.00 C ATOM 1057 O VAL A 68 -13.295 -7.782 6.042 1.00 0.00 O ATOM 1058 CB VAL A 68 -13.225 -4.837 5.843 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -13.702 -5.482 4.551 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -13.699 -3.394 5.935 1.00 0.00 C ATOM 0 H VAL A 68 -12.668 -4.239 8.220 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.790 -5.728 7.030 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.135 -4.836 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.353 -4.896 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.304 -6.494 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.791 -5.519 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.350 -2.840 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.788 -3.370 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.299 -2.937 6.840 1.00 0.00 H new ATOM 1070 N THR A 69 -12.339 -7.403 8.043 1.00 0.00 N ATOM 1071 CA THR A 69 -11.697 -8.711 8.115 1.00 0.00 C ATOM 1072 C THR A 69 -12.719 -9.813 8.307 1.00 0.00 C ATOM 1073 O THR A 69 -12.777 -10.760 7.522 1.00 0.00 O ATOM 1074 CB THR A 69 -10.680 -8.735 9.259 1.00 0.00 C ATOM 1075 OG1 THR A 69 -9.729 -7.698 9.101 1.00 0.00 O ATOM 1076 CG2 THR A 69 -9.921 -10.039 9.357 1.00 0.00 C ATOM 0 H THR A 69 -12.160 -6.804 8.849 1.00 0.00 H new ATOM 0 HA THR A 69 -11.181 -8.887 7.171 1.00 0.00 H new ATOM 0 HB THR A 69 -11.264 -8.604 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.826 -8.077 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.217 -9.989 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.622 -10.856 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.376 -10.213 8.430 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.504 -9.707 9.366 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.498 -10.726 9.667 1.00 0.00 C ATOM 1086 C HIS A 70 -13.827 -12.093 9.815 1.00 0.00 C ATOM 1087 O HIS A 70 -14.500 -13.121 9.870 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.565 -10.782 8.572 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.422 -9.557 8.505 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -15.914 -8.291 8.311 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -17.765 -9.409 8.602 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -16.906 -7.417 8.293 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.039 -8.071 8.468 1.00 0.00 N ATOM 0 H HIS A 70 -13.474 -8.932 10.028 1.00 0.00 H new ATOM 0 HA HIS A 70 -14.982 -10.464 10.608 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.077 -10.926 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.201 -11.651 8.741 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -18.486 -10.198 8.756 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -16.806 -6.350 8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.968 -7.650 8.499 1.00 0.00 H new ATOM 1102 N GLU A 71 -12.490 -12.089 9.873 1.00 0.00 N ATOM 1103 CA GLU A 71 -11.710 -13.314 10.014 1.00 0.00 C ATOM 1104 C GLU A 71 -11.698 -14.112 8.714 1.00 0.00 C ATOM 1105 O GLU A 71 -11.805 -15.339 8.733 1.00 0.00 O ATOM 1106 CB GLU A 71 -12.254 -14.178 11.157 1.00 0.00 C ATOM 1107 CG GLU A 71 -12.295 -13.461 12.495 1.00 0.00 C ATOM 1108 CD GLU A 71 -12.838 -14.335 13.609 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -12.235 -15.393 13.880 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -13.867 -13.959 14.210 1.00 0.00 O ATOM 0 H GLU A 71 -11.926 -11.241 9.824 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.685 -13.027 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.260 -14.512 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.636 -15.071 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.290 -13.129 12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.913 -12.567 12.405 1.00 0.00 H new ATOM 1117 N THR A 72 -11.559 -13.421 7.582 1.00 0.00 N ATOM 1118 CA THR A 72 -11.527 -14.100 6.292 1.00 0.00 C ATOM 1119 C THR A 72 -10.386 -15.124 6.241 1.00 0.00 C ATOM 1120 O THR A 72 -10.587 -16.292 6.569 1.00 0.00 O ATOM 1121 CB THR A 72 -11.415 -13.081 5.150 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.065 -13.720 3.935 1.00 0.00 O ATOM 1123 CG2 THR A 72 -10.412 -11.974 5.411 1.00 0.00 C ATOM 0 H THR A 72 -11.468 -12.406 7.534 1.00 0.00 H new ATOM 0 HA THR A 72 -12.463 -14.644 6.166 1.00 0.00 H new ATOM 0 HB THR A 72 -12.403 -12.626 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.176 -13.420 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.390 -11.294 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.702 -11.424 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.422 -12.407 5.555 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.198 -14.682 5.840 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.031 -15.555 5.758 1.00 0.00 C ATOM 1133 C LYS A 73 -6.759 -14.776 6.081 1.00 0.00 C ATOM 1134 O LYS A 73 -6.243 -14.844 7.197 1.00 0.00 O ATOM 1135 CB LYS A 73 -7.930 -16.181 4.363 1.00 0.00 C ATOM 1136 CG LYS A 73 -9.108 -17.073 4.013 1.00 0.00 C ATOM 1137 CD LYS A 73 -9.229 -18.231 4.988 1.00 0.00 C ATOM 1138 CE LYS A 73 -8.031 -19.163 4.897 1.00 0.00 C ATOM 1139 NZ LYS A 73 -7.879 -19.744 3.533 1.00 0.00 N ATOM 0 H LYS A 73 -9.017 -13.717 5.565 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.145 -16.354 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.853 -15.386 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.011 -16.764 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.027 -16.487 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.988 -17.458 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.315 -17.845 6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.142 -18.789 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.126 -18.617 5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.142 -19.968 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.239 -20.562 3.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.809 -20.049 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.484 -19.027 2.892 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.268 -14.029 5.100 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.067 -13.219 5.270 1.00 0.00 C ATOM 1155 C HIS A 74 -5.419 -11.744 5.134 1.00 0.00 C ATOM 1156 O HIS A 74 -6.262 -11.376 4.314 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.011 -13.603 4.231 1.00 0.00 C ATOM 1158 CG HIS A 74 -3.549 -15.023 4.338 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -3.877 -16.001 5.215 1.00 0.00 N flip ATOM 1160 CD2 HIS A 74 -2.632 -15.580 3.470 1.00 0.00 C flip ATOM 1161 CE1 HIS A 74 -3.159 -17.119 4.863 1.00 0.00 C flip ATOM 1162 NE2 HIS A 74 -2.418 -16.840 3.808 1.00 0.00 N flip ATOM 0 H HIS A 74 -6.686 -13.967 4.172 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.658 -13.402 6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.418 -13.437 3.234 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.151 -12.942 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.163 -15.067 2.644 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.196 -18.073 5.369 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.787 -17.486 3.334 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.788 -10.895 5.939 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.072 -9.467 5.885 1.00 0.00 C ATOM 1173 C PHE A 75 -3.923 -8.635 6.444 1.00 0.00 C ATOM 1174 O PHE A 75 -3.119 -9.110 7.245 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.356 -9.157 6.655 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.294 -9.533 8.109 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.129 -10.856 8.490 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.399 -8.565 9.093 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.070 -11.205 9.827 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -6.342 -8.908 10.432 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.176 -10.230 10.798 1.00 0.00 C ATOM 0 H PHE A 75 -4.086 -11.167 6.627 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.198 -9.199 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.570 -8.091 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.186 -9.686 6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.046 -11.623 7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.527 -7.530 8.812 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.941 -12.239 10.111 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.427 -8.144 11.190 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.129 -10.500 11.843 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.874 -7.378 6.018 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.850 -6.444 6.465 1.00 0.00 C ATOM 1193 C ILE A 76 -3.403 -5.031 6.532 1.00 0.00 C ATOM 1194 O ILE A 76 -4.377 -4.690 5.858 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.601 -6.468 5.557 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.658 -5.300 5.874 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -2.002 -6.449 4.092 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.588 -5.280 5.016 1.00 0.00 C ATOM 0 H ILE A 76 -4.540 -6.980 5.356 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.547 -6.764 7.462 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.063 -7.395 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.197 -4.362 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.366 -5.353 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.107 -6.466 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.615 -7.323 3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.572 -5.544 3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.208 -4.428 5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.149 -6.202 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.306 -5.195 3.967 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.765 -4.219 7.355 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.172 -2.833 7.538 1.00 0.00 C ATOM 1212 C TYR A 77 -1.989 -1.982 7.984 1.00 0.00 C ATOM 1213 O TYR A 77 -1.445 -2.183 9.071 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.303 -2.755 8.566 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.807 -1.355 8.828 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -5.247 -0.546 7.789 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -4.856 -0.849 10.120 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.719 0.729 8.029 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -5.325 0.426 10.369 1.00 0.00 C ATOM 1220 CZ TYR A 77 -5.756 1.211 9.321 1.00 0.00 C ATOM 1221 OH TYR A 77 -6.229 2.480 9.565 1.00 0.00 O ATOM 0 H TYR A 77 -1.957 -4.496 7.912 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.532 -2.444 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.135 -3.370 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.955 -3.186 9.505 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.220 -0.920 6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.522 -1.462 10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.057 1.346 7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.354 0.806 11.380 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.479 3.111 9.582 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.590 -1.040 7.138 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.461 -0.170 7.451 1.00 0.00 C ATOM 1233 C PHE A 78 -0.762 1.280 7.093 1.00 0.00 C ATOM 1234 O PHE A 78 -1.650 1.564 6.289 1.00 0.00 O ATOM 1235 CB PHE A 78 0.792 -0.639 6.708 1.00 0.00 C ATOM 1236 CG PHE A 78 0.640 -0.653 5.213 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -0.282 -1.490 4.605 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.418 0.173 4.417 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -0.425 -1.502 3.229 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.280 0.164 3.043 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.358 -0.675 2.448 1.00 0.00 C ATOM 0 H PHE A 78 -2.028 -0.859 6.235 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.286 -0.226 8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.625 0.012 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.050 -1.642 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.895 -2.140 5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.140 0.831 4.877 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.148 -2.157 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.892 0.812 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.250 -0.684 1.373 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.011 2.196 7.698 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.187 3.621 7.448 1.00 0.00 C ATOM 1253 C TYR A 79 1.011 4.201 6.705 1.00 0.00 C ATOM 1254 O TYR A 79 2.128 3.698 6.816 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.376 4.377 8.765 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.619 3.990 9.536 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -1.821 2.686 9.969 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.590 4.939 9.838 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -2.953 2.338 10.682 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -3.724 4.599 10.548 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.900 3.298 10.969 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.028 2.958 11.681 1.00 0.00 O ATOM 0 H TYR A 79 0.727 1.975 8.366 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.077 3.738 6.829 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.496 4.206 9.396 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.412 5.446 8.554 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.082 1.931 9.745 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.454 5.959 9.511 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.095 1.320 11.012 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.469 5.348 10.772 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.652 2.479 11.096 1.00 0.00 H new ATOM 1272 N LEU A 80 0.766 5.277 5.966 1.00 0.00 N ATOM 1273 CA LEU A 80 1.805 5.961 5.212 1.00 0.00 C ATOM 1274 C LEU A 80 1.819 7.436 5.595 1.00 0.00 C ATOM 1275 O LEU A 80 1.316 8.284 4.858 1.00 0.00 O ATOM 1276 CB LEU A 80 1.564 5.809 3.707 1.00 0.00 C ATOM 1277 CG LEU A 80 1.671 4.379 3.168 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.608 3.488 3.794 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.550 4.374 1.651 1.00 0.00 C ATOM 0 H LEU A 80 -0.158 5.698 5.874 1.00 0.00 H new ATOM 0 HA LEU A 80 2.771 5.515 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.571 6.194 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.281 6.435 3.176 1.00 0.00 H new ATOM 0 HG LEU A 80 2.649 3.981 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.701 2.477 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.741 3.468 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.381 3.880 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.628 3.351 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.585 4.791 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.350 4.976 1.220 1.00 0.00 H new ATOM 1291 N GLY A 81 2.384 7.735 6.762 1.00 0.00 N ATOM 1292 CA GLY A 81 2.434 9.107 7.228 1.00 0.00 C ATOM 1293 C GLY A 81 1.074 9.598 7.681 1.00 0.00 C ATOM 1294 O GLY A 81 0.843 9.801 8.873 1.00 0.00 O ATOM 0 H GLY A 81 2.807 7.052 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.142 9.185 8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.804 9.749 6.429 1.00 0.00 H new ATOM 1298 N GLN A 82 0.168 9.781 6.726 1.00 0.00 N ATOM 1299 CA GLN A 82 -1.181 10.242 7.025 1.00 0.00 C ATOM 1300 C GLN A 82 -2.237 9.350 6.370 1.00 0.00 C ATOM 1301 O GLN A 82 -3.420 9.434 6.700 1.00 0.00 O ATOM 1302 CB GLN A 82 -1.367 11.686 6.560 1.00 0.00 C ATOM 1303 CG GLN A 82 -0.412 12.666 7.223 1.00 0.00 C ATOM 1304 CD GLN A 82 -0.566 12.699 8.732 1.00 0.00 C ATOM 1305 OE1 GLN A 82 0.508 12.375 9.443 1.00 0.00 O flip ATOM 1306 NE2 GLN A 82 -1.638 13.010 9.251 1.00 0.00 N flip ATOM 0 H GLN A 82 0.346 9.616 5.735 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.312 10.190 8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.229 11.732 5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.392 11.996 6.764 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.613 12.395 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.585 13.665 6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.437 13.252 8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.727 13.026 10.267 1.00 0.00 H new ATOM 1315 N VAL A 83 -1.809 8.500 5.437 1.00 0.00 N ATOM 1316 CA VAL A 83 -2.727 7.605 4.742 1.00 0.00 C ATOM 1317 C VAL A 83 -2.800 6.255 5.450 1.00 0.00 C ATOM 1318 O VAL A 83 -1.885 5.877 6.179 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.287 7.380 3.279 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.395 6.734 2.464 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -1.843 8.690 2.643 1.00 0.00 C ATOM 0 H VAL A 83 -0.835 8.414 5.147 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.709 8.077 4.750 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.438 6.697 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.055 6.589 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.653 5.769 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.273 7.380 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.537 8.509 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.670 9.400 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.003 9.101 3.204 1.00 0.00 H new ATOM 1331 N ALA A 84 -3.888 5.530 5.226 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.072 4.223 5.837 1.00 0.00 C ATOM 1333 C ALA A 84 -4.590 3.219 4.817 1.00 0.00 C ATOM 1334 O ALA A 84 -5.719 3.329 4.342 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.025 4.316 7.018 1.00 0.00 C ATOM 0 H ALA A 84 -4.657 5.827 4.625 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.103 3.877 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.151 3.329 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.617 5.000 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.992 4.686 6.677 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.761 2.238 4.481 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.147 1.221 3.513 1.00 0.00 C ATOM 1343 C ILE A 85 -4.391 -0.121 4.182 1.00 0.00 C ATOM 1344 O ILE A 85 -3.739 -0.475 5.166 1.00 0.00 O ATOM 1345 CB ILE A 85 -3.092 1.066 2.395 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.282 2.166 1.355 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -3.179 -0.306 1.735 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.278 2.111 0.223 1.00 0.00 C ATOM 0 H ILE A 85 -2.822 2.126 4.863 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.080 1.559 3.061 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.102 1.156 2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.288 2.093 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.209 3.136 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.423 -0.382 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.007 -1.081 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.169 -0.437 1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.475 2.923 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.270 2.215 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.365 1.156 -0.295 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.335 -0.867 3.625 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.677 -2.183 4.149 1.00 0.00 C ATOM 1362 C LEU A 86 -5.802 -3.201 3.019 1.00 0.00 C ATOM 1363 O LEU A 86 -6.706 -3.113 2.190 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.981 -2.131 4.950 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.192 -1.566 4.201 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.468 -1.807 4.993 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.005 -0.078 3.934 1.00 0.00 C ATOM 0 H LEU A 86 -5.878 -0.583 2.810 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.871 -2.494 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.221 -3.140 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.815 -1.529 5.843 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.277 -2.081 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.318 -1.399 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.610 -2.878 5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.392 -1.317 5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.874 0.308 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.896 0.451 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.111 0.074 3.329 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.889 -4.165 2.996 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.892 -5.205 1.971 1.00 0.00 C ATOM 1381 C LEU A 87 -5.194 -6.560 2.598 1.00 0.00 C ATOM 1382 O LEU A 87 -4.605 -6.926 3.612 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.543 -5.223 1.243 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.400 -6.260 0.125 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.220 -5.913 -0.769 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.220 -7.654 0.707 1.00 0.00 C ATOM 0 H LEU A 87 -4.134 -4.249 3.677 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.673 -4.989 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.367 -4.234 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.758 -5.399 1.978 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.312 -6.247 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.130 -6.659 -1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.377 -4.930 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.305 -5.901 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.120 -8.376 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.323 -7.677 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.088 -7.909 1.316 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.125 -7.297 2.004 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.506 -8.600 2.534 1.00 0.00 C ATOM 1400 C PHE A 88 -7.330 -9.401 1.531 1.00 0.00 C ATOM 1401 O PHE A 88 -7.997 -8.837 0.664 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.311 -8.418 3.821 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.553 -7.595 3.630 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -8.466 -6.259 3.273 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.808 -8.159 3.798 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -9.606 -5.501 3.088 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.952 -7.405 3.615 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.849 -6.074 3.259 1.00 0.00 C ATOM 0 H PHE A 88 -6.627 -7.017 1.161 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.590 -9.155 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.588 -9.398 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.680 -7.943 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.495 -5.805 3.138 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.893 -9.199 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.524 -4.461 2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.924 -7.855 3.750 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.741 -5.483 3.115 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.286 -10.721 1.672 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.032 -11.619 0.806 1.00 0.00 C ATOM 1420 C LYS A 89 -9.350 -12.007 1.465 1.00 0.00 C ATOM 1421 O LYS A 89 -9.389 -12.885 2.326 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.197 -12.868 0.517 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.951 -13.980 -0.190 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.198 -13.629 -1.642 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.893 -13.558 -2.421 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.128 -14.833 -2.344 1.00 0.00 N ATOM 0 H LYS A 89 -6.734 -11.195 2.387 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.249 -11.112 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.339 -12.583 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.805 -13.253 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.381 -14.907 -0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.902 -14.156 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.853 -14.374 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.714 -12.671 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.106 -13.325 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.282 -12.744 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.412 -14.854 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.659 -14.901 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.778 -15.636 -2.462 1.00 0.00 H new ATOM 1440 N SER A 90 -10.422 -11.347 1.056 1.00 0.00 N ATOM 1441 CA SER A 90 -11.744 -11.616 1.608 1.00 0.00 C ATOM 1442 C SER A 90 -12.503 -12.618 0.742 1.00 0.00 C ATOM 1443 O SER A 90 -13.731 -12.580 0.666 1.00 0.00 O ATOM 1444 CB SER A 90 -12.544 -10.319 1.729 1.00 0.00 C ATOM 1445 OG SER A 90 -13.834 -10.562 2.261 1.00 0.00 O ATOM 0 H SER A 90 -10.404 -10.619 0.342 1.00 0.00 H new ATOM 0 HA SER A 90 -11.614 -12.047 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.010 -9.617 2.369 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.634 -9.851 0.749 1.00 0.00 H new ATOM 0 HG SER A 90 -14.254 -11.302 1.775 1.00 0.00 H new ATOM 1451 N GLY A 91 -11.764 -13.510 0.094 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.383 -14.509 -0.758 1.00 0.00 C ATOM 1453 C GLY A 91 -12.341 -15.897 -0.150 1.00 0.00 C ATOM 1454 O GLY A 91 -13.252 -16.228 0.640 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.397 -16.653 -0.462 1.00 0.00 O ATOM 0 H GLY A 91 -10.746 -13.560 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.420 -14.229 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.876 -14.523 -1.723 1.00 0.00 H new