USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 142:sc= -0.966 USER MOD Set 1.2: A 52 CYS SG : rot 147:sc= 0.951 USER MOD Set 1.3: A 62 CYS SG : rot -165:sc= 0.419 USER MOD Set 1.4: A 65 CYS SG : rot 145:sc= 0.374 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 164:sc= 0.323 (180deg=0.209) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 10 CYS SG : rot 159:sc= 0.607 USER MOD Set 3.2: A 13 CYS SG : rot -48:sc= 1.72 USER MOD Set 3.3: A 27 CYS SG : rot -128:sc= 2.12 USER MOD Set 3.4: A 30 CYS SG : rot 77:sc= 0.644 USER MOD Set 3.5: A 56 GLN :FLIP amide:sc= -0.596 F(o=3.3,f=4.5) USER MOD Set 4.1: A 26 THR OG1 : rot 26:sc= -0.0106 USER MOD Set 4.2: A 75 MET CE :methyl -152:sc= -2.92! (180deg=-4.06!) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.741 (180deg=-1.29) USER MOD Single : A 17 SER OG : rot -115:sc= -0.403 USER MOD Single : A 18 SER OG : rot -27:sc= 0.0514 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.0794 X(o=-0.079,f=-0.37) USER MOD Single : A 22 TYR OH : rot 165:sc= -0.972 USER MOD Single : A 24 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -6:sc= -0.548 USER MOD Single : A 41 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -30:sc= -0.764 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.5) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.878 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 57:sc= 0.16 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.902 15.312 2.821 1.00 0.00 N ATOM 67 CA ILE A 8 -6.428 14.227 3.673 1.00 0.00 C ATOM 68 C ILE A 8 -5.177 13.578 3.091 1.00 0.00 C ATOM 69 O ILE A 8 -4.864 13.756 1.914 1.00 0.00 O ATOM 70 CB ILE A 8 -7.511 13.149 3.866 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.859 13.800 4.182 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.108 12.187 4.973 1.00 0.00 C ATOM 73 CD1 ILE A 8 -10.044 12.903 3.899 1.00 0.00 C ATOM 0 HA ILE A 8 -6.189 14.667 4.641 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.611 12.584 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.876 14.090 5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.958 14.714 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.883 11.431 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.168 11.703 4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.984 12.737 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.966 13.429 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.052 12.633 2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.969 11.999 4.504 1.00 0.00 H new ATOM 85 N GLU A 9 -4.467 12.822 3.923 1.00 0.00 N ATOM 86 CA GLU A 9 -3.251 12.145 3.490 1.00 0.00 C ATOM 87 C GLU A 9 -3.354 10.640 3.720 1.00 0.00 C ATOM 88 O GLU A 9 -4.270 10.165 4.393 1.00 0.00 O ATOM 89 CB GLU A 9 -2.037 12.704 4.235 1.00 0.00 C ATOM 90 CG GLU A 9 -2.301 12.988 5.704 1.00 0.00 C ATOM 91 CD GLU A 9 -1.041 12.931 6.545 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.037 13.561 6.153 1.00 0.00 O ATOM 93 OE2 GLU A 9 -1.060 12.257 7.596 1.00 0.00 O ATOM 0 H GLU A 9 -4.713 12.663 4.900 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.127 12.324 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.213 11.995 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.715 13.624 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.755 13.974 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.021 12.265 6.086 1.00 0.00 H new ATOM 100 N CYS A 10 -2.409 9.895 3.158 1.00 0.00 N ATOM 101 CA CYS A 10 -2.393 8.444 3.300 1.00 0.00 C ATOM 102 C CYS A 10 -1.718 8.033 4.605 1.00 0.00 C ATOM 103 O CYS A 10 -0.549 8.341 4.837 1.00 0.00 O ATOM 104 CB CYS A 10 -1.668 7.803 2.115 1.00 0.00 C ATOM 105 SG CYS A 10 -1.755 5.983 2.087 1.00 0.00 S ATOM 0 H CYS A 10 -1.643 10.272 2.599 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.425 8.094 3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.093 8.191 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.621 8.106 2.136 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.529 5.556 0.880 1.00 0.00 H new ATOM 110 N VAL A 11 -2.464 7.335 5.456 1.00 0.00 N ATOM 111 CA VAL A 11 -1.938 6.880 6.738 1.00 0.00 C ATOM 112 C VAL A 11 -0.909 5.771 6.547 1.00 0.00 C ATOM 113 O VAL A 11 -0.384 5.223 7.517 1.00 0.00 O ATOM 114 CB VAL A 11 -3.064 6.368 7.656 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.945 7.521 8.114 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.889 5.306 6.946 1.00 0.00 C ATOM 0 H VAL A 11 -3.434 7.072 5.281 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.459 7.739 7.207 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.612 5.914 8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.735 7.140 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.342 8.244 8.664 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.390 8.006 7.245 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.680 4.956 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.333 5.731 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.247 4.469 6.673 1.00 0.00 H new ATOM 126 N VAL A 12 -0.625 5.444 5.291 1.00 0.00 N ATOM 127 CA VAL A 12 0.343 4.401 4.972 1.00 0.00 C ATOM 128 C VAL A 12 1.639 4.999 4.437 1.00 0.00 C ATOM 129 O VAL A 12 2.728 4.677 4.915 1.00 0.00 O ATOM 130 CB VAL A 12 -0.220 3.412 3.934 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.811 2.344 3.601 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.507 2.781 4.443 1.00 0.00 C ATOM 0 H VAL A 12 -1.052 5.886 4.477 1.00 0.00 H new ATOM 0 HA VAL A 12 0.549 3.866 5.899 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.448 3.961 3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.396 1.654 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.704 2.816 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.072 1.796 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.891 2.085 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.307 2.245 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.247 3.560 4.627 1.00 0.00 H new ATOM 142 N CYS A 13 1.516 5.873 3.444 1.00 0.00 N ATOM 143 CA CYS A 13 2.677 6.518 2.843 1.00 0.00 C ATOM 144 C CYS A 13 2.629 8.029 3.052 1.00 0.00 C ATOM 145 O CYS A 13 3.637 8.719 2.905 1.00 0.00 O ATOM 146 CB CYS A 13 2.746 6.200 1.348 1.00 0.00 C ATOM 147 SG CYS A 13 1.284 6.739 0.405 1.00 0.00 S ATOM 0 H CYS A 13 0.623 6.151 3.038 1.00 0.00 H new ATOM 0 HA CYS A 13 3.571 6.130 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.632 6.675 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.870 5.125 1.222 1.00 0.00 H new ATOM 0 HG CYS A 13 0.205 6.361 1.024 1.00 0.00 H new ATOM 152 N GLY A 14 1.449 8.536 3.396 1.00 0.00 N ATOM 153 CA GLY A 14 1.291 9.961 3.619 1.00 0.00 C ATOM 154 C GLY A 14 0.783 10.688 2.390 1.00 0.00 C ATOM 155 O GLY A 14 0.475 11.878 2.447 1.00 0.00 O ATOM 0 H GLY A 14 0.600 7.985 3.524 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.598 10.122 4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.248 10.387 3.919 1.00 0.00 H new ATOM 159 N ASP A 15 0.698 9.972 1.274 1.00 0.00 N ATOM 160 CA ASP A 15 0.225 10.556 0.025 1.00 0.00 C ATOM 161 C ASP A 15 -1.227 11.008 0.152 1.00 0.00 C ATOM 162 O ASP A 15 -2.051 10.324 0.758 1.00 0.00 O ATOM 163 CB ASP A 15 0.360 9.548 -1.118 1.00 0.00 C ATOM 164 CG ASP A 15 0.095 10.172 -2.474 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.558 11.309 -2.705 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.574 9.522 -3.304 1.00 0.00 O ATOM 0 H ASP A 15 0.951 8.986 1.209 1.00 0.00 H new ATOM 0 HA ASP A 15 0.841 11.428 -0.195 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.363 9.123 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.337 8.725 -0.957 1.00 0.00 H new ATOM 171 N LYS A 16 -1.532 12.166 -0.423 1.00 0.00 N ATOM 172 CA LYS A 16 -2.884 12.711 -0.376 1.00 0.00 C ATOM 173 C LYS A 16 -3.919 11.622 -0.639 1.00 0.00 C ATOM 174 O LYS A 16 -4.071 11.157 -1.768 1.00 0.00 O ATOM 175 CB LYS A 16 -3.039 13.836 -1.402 1.00 0.00 C ATOM 176 CG LYS A 16 -4.328 14.624 -1.250 1.00 0.00 C ATOM 177 CD LYS A 16 -5.455 14.014 -2.066 1.00 0.00 C ATOM 178 CE LYS A 16 -5.493 14.583 -3.476 1.00 0.00 C ATOM 179 NZ LYS A 16 -4.362 14.085 -4.306 1.00 0.00 N ATOM 0 H LYS A 16 -0.861 12.746 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.052 13.114 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.193 14.518 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.999 13.410 -2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.614 14.655 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.165 15.654 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.328 12.932 -2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.408 14.202 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.437 14.315 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.457 15.671 -3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.570 14.251 -5.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.491 14.590 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.234 13.066 -4.143 1.00 0.00 H new ATOM 193 N SER A 17 -4.630 11.222 0.411 1.00 0.00 N ATOM 194 CA SER A 17 -5.650 10.186 0.294 1.00 0.00 C ATOM 195 C SER A 17 -6.781 10.639 -0.624 1.00 0.00 C ATOM 196 O SER A 17 -7.121 11.822 -0.672 1.00 0.00 O ATOM 197 CB SER A 17 -6.208 9.832 1.673 1.00 0.00 C ATOM 198 OG SER A 17 -7.258 8.886 1.571 1.00 0.00 O ATOM 0 H SER A 17 -4.518 11.600 1.352 1.00 0.00 H new ATOM 0 HA SER A 17 -5.185 9.301 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.411 9.430 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.574 10.734 2.163 1.00 0.00 H new ATOM 0 HG SER A 17 -8.096 9.294 1.874 1.00 0.00 H new ATOM 204 N SER A 18 -7.361 9.690 -1.352 1.00 0.00 N ATOM 205 CA SER A 18 -8.452 9.990 -2.271 1.00 0.00 C ATOM 206 C SER A 18 -9.800 9.906 -1.562 1.00 0.00 C ATOM 207 O SER A 18 -10.808 10.404 -2.060 1.00 0.00 O ATOM 208 CB SER A 18 -8.427 9.025 -3.458 1.00 0.00 C ATOM 209 OG SER A 18 -9.485 9.299 -4.360 1.00 0.00 O ATOM 0 H SER A 18 -7.093 8.706 -1.323 1.00 0.00 H new ATOM 0 HA SER A 18 -8.316 11.008 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.472 9.107 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.508 7.999 -3.099 1.00 0.00 H new ATOM 0 HG SER A 18 -10.226 9.719 -3.876 1.00 0.00 H new ATOM 215 N GLY A 19 -9.807 9.272 -0.393 1.00 0.00 N ATOM 216 CA GLY A 19 -11.036 9.134 0.368 1.00 0.00 C ATOM 217 C GLY A 19 -10.929 8.083 1.455 1.00 0.00 C ATOM 218 O GLY A 19 -9.882 7.457 1.624 1.00 0.00 O ATOM 0 H GLY A 19 -8.985 8.852 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.291 10.093 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.851 8.872 -0.307 1.00 0.00 H new ATOM 222 N LYS A 20 -12.014 7.889 2.196 1.00 0.00 N ATOM 223 CA LYS A 20 -12.040 6.907 3.274 1.00 0.00 C ATOM 224 C LYS A 20 -12.216 5.497 2.721 1.00 0.00 C ATOM 225 O LYS A 20 -13.332 4.978 2.662 1.00 0.00 O ATOM 226 CB LYS A 20 -13.169 7.227 4.256 1.00 0.00 C ATOM 227 CG LYS A 20 -13.327 6.194 5.359 1.00 0.00 C ATOM 228 CD LYS A 20 -13.992 6.789 6.589 1.00 0.00 C ATOM 229 CE LYS A 20 -13.045 7.709 7.344 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.369 7.767 8.797 1.00 0.00 N ATOM 0 H LYS A 20 -12.888 8.399 2.070 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.086 6.955 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.982 8.202 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.107 7.305 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.921 5.357 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.349 5.797 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.881 7.345 6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.325 5.987 7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.020 7.361 7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.098 8.712 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.701 8.404 9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.338 8.123 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.294 6.814 9.208 1.00 0.00 H new ATOM 244 N HIS A 21 -11.109 4.881 2.319 1.00 0.00 N ATOM 245 CA HIS A 21 -11.142 3.528 1.773 1.00 0.00 C ATOM 246 C HIS A 21 -10.917 2.493 2.872 1.00 0.00 C ATOM 247 O HIS A 21 -9.854 2.452 3.491 1.00 0.00 O ATOM 248 CB HIS A 21 -10.083 3.370 0.683 1.00 0.00 C ATOM 249 CG HIS A 21 -10.284 4.286 -0.485 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.280 4.104 -1.422 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.611 5.398 -0.864 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.209 5.063 -2.328 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.206 5.862 -2.012 1.00 0.00 N ATOM 0 H HIS A 21 -10.178 5.296 2.361 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.128 3.362 1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.099 3.555 1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.088 2.339 0.330 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -11.964 3.347 -1.416 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.764 5.838 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.861 5.175 -3.182 1.00 0.00 H new ATOM 261 N TYR A 22 -11.924 1.660 3.107 1.00 0.00 N ATOM 262 CA TYR A 22 -11.838 0.627 4.133 1.00 0.00 C ATOM 263 C TYR A 22 -11.806 1.245 5.527 1.00 0.00 C ATOM 264 O TYR A 22 -10.975 0.885 6.360 1.00 0.00 O ATOM 265 CB TYR A 22 -10.592 -0.233 3.916 1.00 0.00 C ATOM 266 CG TYR A 22 -10.436 -0.725 2.494 1.00 0.00 C ATOM 267 CD1 TYR A 22 -11.416 -1.508 1.897 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.308 -0.405 1.748 1.00 0.00 C ATOM 269 CE1 TYR A 22 -11.277 -1.959 0.599 1.00 0.00 C ATOM 270 CE2 TYR A 22 -9.161 -0.851 0.449 1.00 0.00 C ATOM 271 CZ TYR A 22 -10.148 -1.628 -0.121 1.00 0.00 C ATOM 272 OH TYR A 22 -10.006 -2.075 -1.415 1.00 0.00 O ATOM 0 H TYR A 22 -12.810 1.679 2.601 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.725 -0.002 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.710 0.345 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.632 -1.092 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.302 -1.769 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.533 0.203 2.191 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.048 -2.568 0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.278 -0.593 -0.117 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.293 -1.570 -1.859 1.00 0.00 H new ATOM 282 N GLY A 23 -12.719 2.180 5.775 1.00 0.00 N ATOM 283 CA GLY A 23 -12.779 2.834 7.069 1.00 0.00 C ATOM 284 C GLY A 23 -11.497 3.567 7.408 1.00 0.00 C ATOM 285 O GLY A 23 -11.235 3.866 8.573 1.00 0.00 O ATOM 0 H GLY A 23 -13.418 2.496 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.610 3.539 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.983 2.090 7.839 1.00 0.00 H new ATOM 289 N GLN A 24 -10.694 3.856 6.389 1.00 0.00 N ATOM 290 CA GLN A 24 -9.431 4.557 6.586 1.00 0.00 C ATOM 291 C GLN A 24 -9.050 5.354 5.343 1.00 0.00 C ATOM 292 O GLN A 24 -9.284 4.916 4.216 1.00 0.00 O ATOM 293 CB GLN A 24 -8.320 3.563 6.929 1.00 0.00 C ATOM 294 CG GLN A 24 -7.236 4.145 7.821 1.00 0.00 C ATOM 295 CD GLN A 24 -7.778 4.654 9.142 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.777 5.857 9.405 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.246 3.738 9.982 1.00 0.00 N ATOM 0 H GLN A 24 -10.896 3.615 5.419 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.557 5.252 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.759 2.697 7.424 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.865 3.206 6.005 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.480 3.383 8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.740 4.962 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.227 2.752 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.624 4.021 10.886 1.00 0.00 H new ATOM 306 N PHE A 25 -8.463 6.527 5.555 1.00 0.00 N ATOM 307 CA PHE A 25 -8.051 7.386 4.451 1.00 0.00 C ATOM 308 C PHE A 25 -6.693 6.956 3.904 1.00 0.00 C ATOM 309 O PHE A 25 -5.670 7.089 4.576 1.00 0.00 O ATOM 310 CB PHE A 25 -7.991 8.846 4.908 1.00 0.00 C ATOM 311 CG PHE A 25 -9.331 9.414 5.278 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.306 9.609 4.313 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.616 9.753 6.591 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.540 10.132 4.650 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.849 10.275 6.934 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.812 10.466 5.962 1.00 0.00 C ATOM 0 H PHE A 25 -8.262 6.905 6.481 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.789 7.292 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.323 8.923 5.766 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.557 9.450 4.111 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.099 9.349 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.866 9.608 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.291 10.279 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.059 10.533 7.961 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.775 10.876 6.228 1.00 0.00 H new ATOM 326 N THR A 26 -6.692 6.439 2.680 1.00 0.00 N ATOM 327 CA THR A 26 -5.461 5.987 2.042 1.00 0.00 C ATOM 328 C THR A 26 -5.463 6.310 0.553 1.00 0.00 C ATOM 329 O THR A 26 -6.478 6.150 -0.126 1.00 0.00 O ATOM 330 CB THR A 26 -5.256 4.472 2.228 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.437 3.766 1.831 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.926 4.144 3.676 1.00 0.00 C ATOM 0 H THR A 26 -7.530 6.323 2.110 1.00 0.00 H new ATOM 0 HA THR A 26 -4.641 6.519 2.524 1.00 0.00 H new ATOM 0 HB THR A 26 -4.419 4.161 1.602 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.930 4.298 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.786 3.068 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.011 4.660 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.745 4.468 4.318 1.00 0.00 H new ATOM 340 N CYS A 27 -4.321 6.764 0.049 1.00 0.00 N ATOM 341 CA CYS A 27 -4.190 7.109 -1.362 1.00 0.00 C ATOM 342 C CYS A 27 -4.627 5.946 -2.249 1.00 0.00 C ATOM 343 O CYS A 27 -4.932 4.860 -1.759 1.00 0.00 O ATOM 344 CB CYS A 27 -2.744 7.494 -1.682 1.00 0.00 C ATOM 345 SG CYS A 27 -1.575 6.098 -1.635 1.00 0.00 S ATOM 0 H CYS A 27 -3.472 6.902 0.597 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.839 7.961 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.711 7.948 -2.672 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.416 8.253 -0.972 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.564 6.404 -0.878 1.00 0.00 H new ATOM 350 N GLU A 28 -4.653 6.185 -3.557 1.00 0.00 N ATOM 351 CA GLU A 28 -5.053 5.158 -4.511 1.00 0.00 C ATOM 352 C GLU A 28 -3.959 4.106 -4.669 1.00 0.00 C ATOM 353 O GLU A 28 -4.230 2.962 -5.032 1.00 0.00 O ATOM 354 CB GLU A 28 -5.370 5.788 -5.869 1.00 0.00 C ATOM 355 CG GLU A 28 -6.600 6.680 -5.854 1.00 0.00 C ATOM 356 CD GLU A 28 -7.894 5.890 -5.893 1.00 0.00 C ATOM 357 OE1 GLU A 28 -8.156 5.233 -6.922 1.00 0.00 O ATOM 358 OE2 GLU A 28 -8.644 5.930 -4.896 1.00 0.00 O ATOM 0 H GLU A 28 -4.402 7.079 -3.979 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.949 4.670 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.511 6.373 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.515 4.995 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.584 7.300 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.565 7.355 -6.709 1.00 0.00 H new ATOM 365 N GLY A 29 -2.720 4.503 -4.394 1.00 0.00 N ATOM 366 CA GLY A 29 -1.603 3.584 -4.512 1.00 0.00 C ATOM 367 C GLY A 29 -1.659 2.469 -3.486 1.00 0.00 C ATOM 368 O GLY A 29 -1.360 1.315 -3.795 1.00 0.00 O ATOM 0 H GLY A 29 -2.470 5.445 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.596 3.153 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.670 4.135 -4.395 1.00 0.00 H new ATOM 372 N CYS A 30 -2.041 2.814 -2.261 1.00 0.00 N ATOM 373 CA CYS A 30 -2.133 1.835 -1.184 1.00 0.00 C ATOM 374 C CYS A 30 -3.523 1.208 -1.137 1.00 0.00 C ATOM 375 O CYS A 30 -3.687 0.065 -0.709 1.00 0.00 O ATOM 376 CB CYS A 30 -1.811 2.491 0.159 1.00 0.00 C ATOM 377 SG CYS A 30 -0.195 3.330 0.209 1.00 0.00 S ATOM 0 H CYS A 30 -2.292 3.765 -1.989 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.405 1.048 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.591 3.215 0.394 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.837 1.730 0.939 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.279 4.471 -0.409 1.00 0.00 H new ATOM 382 N LYS A 31 -4.522 1.963 -1.579 1.00 0.00 N ATOM 383 CA LYS A 31 -5.899 1.483 -1.589 1.00 0.00 C ATOM 384 C LYS A 31 -6.012 0.172 -2.360 1.00 0.00 C ATOM 385 O LYS A 31 -6.664 -0.770 -1.909 1.00 0.00 O ATOM 386 CB LYS A 31 -6.823 2.533 -2.210 1.00 0.00 C ATOM 387 CG LYS A 31 -8.190 1.993 -2.590 1.00 0.00 C ATOM 388 CD LYS A 31 -8.212 1.485 -4.021 1.00 0.00 C ATOM 389 CE LYS A 31 -7.930 2.602 -5.014 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.492 2.303 -6.360 1.00 0.00 N ATOM 0 H LYS A 31 -4.404 2.911 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.203 1.305 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.950 3.355 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.345 2.945 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.464 1.185 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.938 2.777 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.470 0.696 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.185 1.043 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.355 3.534 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.853 2.752 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.523 3.176 -6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.891 1.602 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.454 1.922 -6.258 1.00 0.00 H new ATOM 404 N SER A 32 -5.373 0.117 -3.524 1.00 0.00 N ATOM 405 CA SER A 32 -5.404 -1.078 -4.358 1.00 0.00 C ATOM 406 C SER A 32 -4.382 -2.104 -3.876 1.00 0.00 C ATOM 407 O SER A 32 -4.576 -3.310 -4.031 1.00 0.00 O ATOM 408 CB SER A 32 -5.127 -0.714 -5.818 1.00 0.00 C ATOM 409 OG SER A 32 -6.325 -0.369 -6.493 1.00 0.00 O ATOM 0 H SER A 32 -4.827 0.887 -3.911 1.00 0.00 H new ATOM 0 HA SER A 32 -6.398 -1.518 -4.282 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.428 0.121 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.651 -1.555 -6.322 1.00 0.00 H new ATOM 0 HG SER A 32 -6.121 -0.139 -7.424 1.00 0.00 H new ATOM 415 N PHE A 33 -3.294 -1.616 -3.290 1.00 0.00 N ATOM 416 CA PHE A 33 -2.241 -2.488 -2.785 1.00 0.00 C ATOM 417 C PHE A 33 -2.744 -3.328 -1.614 1.00 0.00 C ATOM 418 O PHE A 33 -2.344 -4.480 -1.445 1.00 0.00 O ATOM 419 CB PHE A 33 -1.029 -1.662 -2.350 1.00 0.00 C ATOM 420 CG PHE A 33 0.077 -2.486 -1.756 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.911 -3.238 -2.567 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.284 -2.508 -0.386 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.929 -3.998 -2.023 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.300 -3.266 0.164 1.00 0.00 C ATOM 425 CZ PHE A 33 2.125 -4.011 -0.656 1.00 0.00 C ATOM 0 H PHE A 33 -3.119 -0.621 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.944 -3.160 -3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.643 -1.117 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.349 -0.918 -1.620 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.764 -3.230 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.357 -1.926 0.260 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.571 -4.581 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.449 -3.276 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.922 -4.602 -0.229 1.00 0.00 H new ATOM 435 N PHE A 34 -3.624 -2.742 -0.809 1.00 0.00 N ATOM 436 CA PHE A 34 -4.182 -3.435 0.347 1.00 0.00 C ATOM 437 C PHE A 34 -5.168 -4.514 -0.090 1.00 0.00 C ATOM 438 O PHE A 34 -5.165 -5.625 0.439 1.00 0.00 O ATOM 439 CB PHE A 34 -4.877 -2.439 1.278 1.00 0.00 C ATOM 440 CG PHE A 34 -5.565 -3.089 2.444 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.849 -3.856 3.348 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.929 -2.933 2.636 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.479 -4.455 4.423 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.564 -3.529 3.708 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.839 -4.292 4.602 1.00 0.00 C ATOM 0 H PHE A 34 -3.966 -1.789 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.363 -3.913 0.884 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.140 -1.728 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.609 -1.869 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.786 -3.988 3.212 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.502 -2.339 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.909 -5.049 5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.627 -3.398 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.334 -4.760 5.440 1.00 0.00 H new ATOM 455 N LYS A 35 -6.013 -4.178 -1.059 1.00 0.00 N ATOM 456 CA LYS A 35 -7.005 -5.117 -1.569 1.00 0.00 C ATOM 457 C LYS A 35 -6.334 -6.270 -2.308 1.00 0.00 C ATOM 458 O LYS A 35 -6.422 -7.424 -1.887 1.00 0.00 O ATOM 459 CB LYS A 35 -7.983 -4.399 -2.503 1.00 0.00 C ATOM 460 CG LYS A 35 -8.784 -5.342 -3.385 1.00 0.00 C ATOM 461 CD LYS A 35 -9.910 -4.614 -4.100 1.00 0.00 C ATOM 462 CE LYS A 35 -10.301 -5.321 -5.389 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.128 -4.451 -6.270 1.00 0.00 N ATOM 0 H LYS A 35 -6.031 -3.262 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.554 -5.524 -0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.671 -3.801 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.427 -3.707 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.124 -5.804 -4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.198 -6.147 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.777 -4.548 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.601 -3.593 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.401 -5.627 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.855 -6.229 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.374 -4.969 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.999 -4.179 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.590 -3.596 -6.518 1.00 0.00 H new ATOM 477 N ARG A 36 -5.663 -5.951 -3.409 1.00 0.00 N ATOM 478 CA ARG A 36 -4.977 -6.961 -4.206 1.00 0.00 C ATOM 479 C ARG A 36 -4.190 -7.915 -3.312 1.00 0.00 C ATOM 480 O ARG A 36 -3.887 -9.042 -3.705 1.00 0.00 O ATOM 481 CB ARG A 36 -4.037 -6.295 -5.212 1.00 0.00 C ATOM 482 CG ARG A 36 -2.722 -5.833 -4.605 1.00 0.00 C ATOM 483 CD ARG A 36 -1.708 -5.474 -5.679 1.00 0.00 C ATOM 484 NE ARG A 36 -0.966 -6.642 -6.145 1.00 0.00 N ATOM 485 CZ ARG A 36 -1.347 -7.393 -7.173 1.00 0.00 C ATOM 486 NH1 ARG A 36 -2.455 -7.098 -7.839 1.00 0.00 N ATOM 487 NH2 ARG A 36 -0.619 -8.441 -7.536 1.00 0.00 N ATOM 0 H ARG A 36 -5.579 -5.001 -3.770 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.729 -7.535 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.828 -6.996 -6.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.543 -5.438 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.899 -4.967 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.317 -6.620 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.221 -5.011 -6.522 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.010 -4.735 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.108 -6.895 -5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.017 -6.293 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.745 -7.676 -8.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.234 -8.671 -7.026 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.912 -9.017 -8.325 1.00 0.00 H new ATOM 501 N SER A 37 -3.861 -7.456 -2.109 1.00 0.00 N ATOM 502 CA SER A 37 -3.105 -8.266 -1.162 1.00 0.00 C ATOM 503 C SER A 37 -4.042 -9.005 -0.211 1.00 0.00 C ATOM 504 O SER A 37 -3.815 -10.168 0.123 1.00 0.00 O ATOM 505 CB SER A 37 -2.139 -7.388 -0.364 1.00 0.00 C ATOM 506 OG SER A 37 -2.838 -6.405 0.379 1.00 0.00 O ATOM 0 H SER A 37 -4.106 -6.527 -1.767 1.00 0.00 H new ATOM 0 HA SER A 37 -2.533 -9.002 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.552 -8.010 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.437 -6.904 -1.043 1.00 0.00 H new ATOM 0 HG SER A 37 -3.791 -6.439 0.152 1.00 0.00 H new ATOM 512 N VAL A 38 -5.096 -8.321 0.222 1.00 0.00 N ATOM 513 CA VAL A 38 -6.069 -8.910 1.134 1.00 0.00 C ATOM 514 C VAL A 38 -7.026 -9.837 0.392 1.00 0.00 C ATOM 515 O VAL A 38 -7.134 -11.020 0.713 1.00 0.00 O ATOM 516 CB VAL A 38 -6.884 -7.826 1.864 1.00 0.00 C ATOM 517 CG1 VAL A 38 -7.914 -8.462 2.784 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.961 -6.900 2.642 1.00 0.00 C ATOM 0 H VAL A 38 -5.298 -7.357 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.506 -9.486 1.869 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.415 -7.232 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.480 -7.681 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.594 -9.080 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.408 -9.082 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.553 -6.140 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.402 -7.478 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.266 -6.418 1.955 1.00 0.00 H new ATOM 528 N ARG A 39 -7.718 -9.290 -0.602 1.00 0.00 N ATOM 529 CA ARG A 39 -8.667 -10.068 -1.389 1.00 0.00 C ATOM 530 C ARG A 39 -8.013 -11.334 -1.934 1.00 0.00 C ATOM 531 O ARG A 39 -8.678 -12.352 -2.132 1.00 0.00 O ATOM 532 CB ARG A 39 -9.214 -9.226 -2.544 1.00 0.00 C ATOM 533 CG ARG A 39 -8.144 -8.762 -3.519 1.00 0.00 C ATOM 534 CD ARG A 39 -8.341 -9.377 -4.896 1.00 0.00 C ATOM 535 NE ARG A 39 -9.542 -8.869 -5.555 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.696 -9.525 -5.585 1.00 0.00 C ATOM 537 NH1 ARG A 39 -10.806 -10.707 -4.995 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.745 -8.997 -6.204 1.00 0.00 N ATOM 0 H ARG A 39 -7.639 -8.312 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.491 -10.358 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.959 -9.808 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.725 -8.354 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.169 -7.675 -3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.160 -9.032 -3.136 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.470 -9.165 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.409 -10.461 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.491 -7.961 -6.017 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.003 -11.115 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.694 -11.209 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.665 -8.087 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.631 -9.502 -6.227 1.00 0.00 H new ATOM 552 N ARG A 40 -6.708 -11.264 -2.173 1.00 0.00 N ATOM 553 CA ARG A 40 -5.965 -12.404 -2.696 1.00 0.00 C ATOM 554 C ARG A 40 -5.306 -13.189 -1.565 1.00 0.00 C ATOM 555 O ARG A 40 -4.969 -14.361 -1.724 1.00 0.00 O ATOM 556 CB ARG A 40 -4.902 -11.934 -3.691 1.00 0.00 C ATOM 557 CG ARG A 40 -5.478 -11.423 -5.001 1.00 0.00 C ATOM 558 CD ARG A 40 -4.519 -11.652 -6.158 1.00 0.00 C ATOM 559 NE ARG A 40 -4.334 -13.072 -6.443 1.00 0.00 N ATOM 560 CZ ARG A 40 -5.216 -13.809 -7.110 1.00 0.00 C ATOM 561 NH1 ARG A 40 -6.338 -13.262 -7.558 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.977 -15.095 -7.330 1.00 0.00 N ATOM 0 H ARG A 40 -6.143 -10.430 -2.013 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.669 -13.060 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.310 -11.143 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.222 -12.760 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.423 -11.926 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.696 -10.359 -4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.899 -11.150 -7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.555 -11.201 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.481 -13.523 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.526 -12.273 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.013 -13.830 -8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.115 -15.520 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.655 -15.659 -7.842 1.00 0.00 H new ATOM 576 N ASN A 41 -5.126 -12.533 -0.423 1.00 0.00 N ATOM 577 CA ASN A 41 -4.508 -13.169 0.735 1.00 0.00 C ATOM 578 C ASN A 41 -3.002 -13.311 0.537 1.00 0.00 C ATOM 579 O ASN A 41 -2.387 -14.260 1.025 1.00 0.00 O ATOM 580 CB ASN A 41 -5.133 -14.543 0.983 1.00 0.00 C ATOM 581 CG ASN A 41 -6.610 -14.577 0.640 1.00 0.00 C ATOM 582 OD1 ASN A 41 -7.294 -13.555 0.692 1.00 0.00 O ATOM 583 ND2 ASN A 41 -7.108 -15.756 0.286 1.00 0.00 N ATOM 0 H ASN A 41 -5.399 -11.562 -0.275 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.685 -12.535 1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.608 -15.291 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.000 -14.816 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.095 -15.841 0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.503 -16.577 0.257 1.00 0.00 H new ATOM 590 N LEU A 42 -2.413 -12.362 -0.182 1.00 0.00 N ATOM 591 CA LEU A 42 -0.978 -12.380 -0.445 1.00 0.00 C ATOM 592 C LEU A 42 -0.187 -12.104 0.831 1.00 0.00 C ATOM 593 O LEU A 42 -0.585 -11.281 1.655 1.00 0.00 O ATOM 594 CB LEU A 42 -0.622 -11.344 -1.513 1.00 0.00 C ATOM 595 CG LEU A 42 -1.577 -11.251 -2.703 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.065 -10.245 -3.722 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.762 -12.618 -3.346 1.00 0.00 C ATOM 0 H LEU A 42 -2.907 -11.570 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.713 -13.373 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.570 -10.365 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.376 -11.569 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.546 -10.908 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.758 -10.193 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.985 -9.263 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.084 -10.557 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.445 -12.533 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.798 -12.990 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.176 -13.312 -2.614 1.00 0.00 H new ATOM 609 N THR A 43 0.936 -12.798 0.986 1.00 0.00 N ATOM 610 CA THR A 43 1.784 -12.627 2.159 1.00 0.00 C ATOM 611 C THR A 43 3.241 -12.428 1.761 1.00 0.00 C ATOM 612 O THR A 43 4.010 -13.386 1.681 1.00 0.00 O ATOM 613 CB THR A 43 1.683 -13.839 3.105 1.00 0.00 C ATOM 614 OG1 THR A 43 0.309 -14.179 3.322 1.00 0.00 O ATOM 615 CG2 THR A 43 2.353 -13.542 4.438 1.00 0.00 C ATOM 0 H THR A 43 1.279 -13.484 0.314 1.00 0.00 H new ATOM 0 HA THR A 43 1.429 -11.737 2.679 1.00 0.00 H new ATOM 0 HB THR A 43 2.195 -14.680 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.254 -14.951 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.269 -14.412 5.089 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.406 -13.313 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.865 -12.688 4.908 1.00 0.00 H new ATOM 623 N TYR A 44 3.616 -11.178 1.512 1.00 0.00 N ATOM 624 CA TYR A 44 4.982 -10.853 1.120 1.00 0.00 C ATOM 625 C TYR A 44 5.948 -11.066 2.282 1.00 0.00 C ATOM 626 O TYR A 44 5.561 -10.991 3.449 1.00 0.00 O ATOM 627 CB TYR A 44 5.065 -9.406 0.632 1.00 0.00 C ATOM 628 CG TYR A 44 3.835 -8.950 -0.121 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.624 -9.330 -1.441 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.886 -8.138 0.487 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.503 -8.915 -2.133 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.761 -7.719 -0.197 1.00 0.00 C ATOM 633 CZ TYR A 44 1.574 -8.110 -1.507 1.00 0.00 C ATOM 634 OH TYR A 44 0.455 -7.695 -2.192 1.00 0.00 O ATOM 0 H TYR A 44 2.993 -10.373 1.575 1.00 0.00 H new ATOM 0 HA TYR A 44 5.268 -11.520 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.220 -8.751 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.937 -9.298 -0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.349 -9.961 -1.934 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.030 -7.829 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.355 -9.219 -3.159 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.032 -7.089 0.291 1.00 0.00 H new ATOM 0 HH TYR A 44 0.665 -7.620 -3.146 1.00 0.00 H new ATOM 644 N THR A 45 7.209 -11.332 1.954 1.00 0.00 N ATOM 645 CA THR A 45 8.231 -11.556 2.968 1.00 0.00 C ATOM 646 C THR A 45 9.169 -10.359 3.077 1.00 0.00 C ATOM 647 O THR A 45 9.638 -9.831 2.069 1.00 0.00 O ATOM 648 CB THR A 45 9.060 -12.817 2.661 1.00 0.00 C ATOM 649 OG1 THR A 45 8.314 -13.990 3.009 1.00 0.00 O ATOM 650 CG2 THR A 45 10.374 -12.801 3.427 1.00 0.00 C ATOM 0 H THR A 45 7.546 -11.397 0.994 1.00 0.00 H new ATOM 0 HA THR A 45 7.711 -11.694 3.916 1.00 0.00 H new ATOM 0 HB THR A 45 9.280 -12.829 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.847 -14.788 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.942 -13.702 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.952 -11.923 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.171 -12.767 4.497 1.00 0.00 H new ATOM 658 N CYS A 46 9.440 -9.936 4.307 1.00 0.00 N ATOM 659 CA CYS A 46 10.323 -8.801 4.549 1.00 0.00 C ATOM 660 C CYS A 46 11.726 -9.273 4.917 1.00 0.00 C ATOM 661 O CYS A 46 12.012 -9.555 6.081 1.00 0.00 O ATOM 662 CB CYS A 46 9.760 -7.919 5.665 1.00 0.00 C ATOM 663 SG CYS A 46 10.755 -6.432 6.011 1.00 0.00 S ATOM 0 H CYS A 46 9.061 -10.362 5.152 1.00 0.00 H new ATOM 0 HA CYS A 46 10.384 -8.217 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.749 -7.612 5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.682 -8.511 6.577 1.00 0.00 H new ATOM 0 HG CYS A 46 9.966 -5.434 6.279 1.00 0.00 H new ATOM 668 N ARG A 47 12.598 -9.355 3.918 1.00 0.00 N ATOM 669 CA ARG A 47 13.971 -9.794 4.136 1.00 0.00 C ATOM 670 C ARG A 47 14.673 -8.897 5.152 1.00 0.00 C ATOM 671 O ARG A 47 15.761 -9.218 5.631 1.00 0.00 O ATOM 672 CB ARG A 47 14.746 -9.791 2.817 1.00 0.00 C ATOM 673 CG ARG A 47 14.860 -8.415 2.181 1.00 0.00 C ATOM 674 CD ARG A 47 13.828 -8.223 1.080 1.00 0.00 C ATOM 675 NE ARG A 47 14.364 -8.555 -0.237 1.00 0.00 N ATOM 676 CZ ARG A 47 15.255 -7.806 -0.878 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.707 -6.689 -0.324 1.00 0.00 N ATOM 678 NH2 ARG A 47 15.695 -8.174 -2.074 1.00 0.00 N ATOM 0 H ARG A 47 12.378 -9.123 2.949 1.00 0.00 H new ATOM 0 HA ARG A 47 13.943 -10.810 4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.747 -10.185 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.256 -10.467 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.727 -7.648 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.861 -8.285 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.959 -8.847 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.485 -7.188 1.081 1.00 0.00 H new ATOM 0 HE ARG A 47 14.037 -9.408 -0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.371 -6.404 0.596 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.391 -6.115 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.349 -9.033 -2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.379 -7.598 -2.565 1.00 0.00 H new ATOM 692 N ALA A 48 14.043 -7.773 5.477 1.00 0.00 N ATOM 693 CA ALA A 48 14.606 -6.832 6.437 1.00 0.00 C ATOM 694 C ALA A 48 14.058 -7.083 7.838 1.00 0.00 C ATOM 695 O ALA A 48 13.336 -8.052 8.068 1.00 0.00 O ATOM 696 CB ALA A 48 14.318 -5.402 6.004 1.00 0.00 C ATOM 0 H ALA A 48 13.142 -7.492 5.089 1.00 0.00 H new ATOM 0 HA ALA A 48 15.685 -6.982 6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.744 -4.709 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.763 -5.221 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.240 -5.249 5.946 1.00 0.00 H new ATOM 702 N ASN A 49 14.406 -6.203 8.771 1.00 0.00 N ATOM 703 CA ASN A 49 13.950 -6.330 10.150 1.00 0.00 C ATOM 704 C ASN A 49 12.547 -5.755 10.314 1.00 0.00 C ATOM 705 O ASN A 49 12.215 -5.188 11.355 1.00 0.00 O ATOM 706 CB ASN A 49 14.919 -5.619 11.097 1.00 0.00 C ATOM 707 CG ASN A 49 16.288 -6.270 11.119 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.590 -7.078 11.998 1.00 0.00 O ATOM 709 ND2 ASN A 49 17.125 -5.919 10.150 1.00 0.00 N ATOM 0 H ASN A 49 15.002 -5.394 8.597 1.00 0.00 H new ATOM 0 HA ASN A 49 13.920 -7.390 10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.020 -4.577 10.794 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.504 -5.619 12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.061 -6.323 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.832 -5.245 9.442 1.00 0.00 H new ATOM 716 N ARG A 50 11.726 -5.906 9.279 1.00 0.00 N ATOM 717 CA ARG A 50 10.359 -5.402 9.308 1.00 0.00 C ATOM 718 C ARG A 50 10.309 -3.999 9.907 1.00 0.00 C ATOM 719 O ARG A 50 9.353 -3.640 10.593 1.00 0.00 O ATOM 720 CB ARG A 50 9.462 -6.344 10.114 1.00 0.00 C ATOM 721 CG ARG A 50 9.343 -7.734 9.511 1.00 0.00 C ATOM 722 CD ARG A 50 8.480 -8.642 10.373 1.00 0.00 C ATOM 723 NE ARG A 50 9.251 -9.285 11.434 1.00 0.00 N ATOM 724 CZ ARG A 50 8.703 -9.814 12.523 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.389 -9.778 12.693 1.00 0.00 N ATOM 726 NH2 ARG A 50 9.472 -10.382 13.444 1.00 0.00 N ATOM 0 H ARG A 50 11.985 -6.374 8.410 1.00 0.00 H new ATOM 0 HA ARG A 50 9.995 -5.354 8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.855 -6.429 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.467 -5.905 10.194 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.913 -7.663 8.512 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.336 -8.170 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.671 -8.060 10.815 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.019 -9.405 9.746 1.00 0.00 H new ATOM 0 HE ARG A 50 10.265 -9.330 11.334 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.795 -9.343 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.972 -10.185 13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.483 -10.412 13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.051 -10.788 14.280 1.00 0.00 H new ATOM 740 N ASN A 51 11.347 -3.212 9.644 1.00 0.00 N ATOM 741 CA ASN A 51 11.423 -1.849 10.158 1.00 0.00 C ATOM 742 C ASN A 51 11.536 -0.843 9.017 1.00 0.00 C ATOM 743 O ASN A 51 11.914 0.310 9.226 1.00 0.00 O ATOM 744 CB ASN A 51 12.619 -1.703 11.101 1.00 0.00 C ATOM 745 CG ASN A 51 12.405 -2.420 12.420 1.00 0.00 C ATOM 746 OD1 ASN A 51 11.353 -2.292 13.046 1.00 0.00 O ATOM 747 ND2 ASN A 51 13.406 -3.180 12.850 1.00 0.00 N ATOM 0 H ASN A 51 12.147 -3.494 9.078 1.00 0.00 H new ATOM 0 HA ASN A 51 10.506 -1.644 10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.511 -2.099 10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.802 -0.645 11.291 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.320 -3.686 13.731 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.261 -3.258 12.299 1.00 0.00 H new ATOM 754 N CYS A 52 11.204 -1.287 7.809 1.00 0.00 N ATOM 755 CA CYS A 52 11.268 -0.427 6.633 1.00 0.00 C ATOM 756 C CYS A 52 10.345 0.779 6.792 1.00 0.00 C ATOM 757 O CYS A 52 9.143 0.647 7.022 1.00 0.00 O ATOM 758 CB CYS A 52 10.885 -1.214 5.378 1.00 0.00 C ATOM 759 SG CYS A 52 11.514 -2.923 5.353 1.00 0.00 S ATOM 0 H CYS A 52 10.888 -2.238 7.619 1.00 0.00 H new ATOM 0 HA CYS A 52 12.292 -0.069 6.530 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.799 -1.237 5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.262 -0.686 4.502 1.00 0.00 H new ATOM 0 HG CYS A 52 10.661 -3.690 4.742 1.00 0.00 H new ATOM 764 N PRO A 53 10.920 1.984 6.665 1.00 0.00 N ATOM 765 CA PRO A 53 10.169 3.237 6.789 1.00 0.00 C ATOM 766 C PRO A 53 9.216 3.460 5.619 1.00 0.00 C ATOM 767 O PRO A 53 9.559 4.135 4.648 1.00 0.00 O ATOM 768 CB PRO A 53 11.263 4.307 6.799 1.00 0.00 C ATOM 769 CG PRO A 53 12.407 3.686 6.075 1.00 0.00 C ATOM 770 CD PRO A 53 12.348 2.217 6.390 1.00 0.00 C ATOM 0 HA PRO A 53 9.536 3.247 7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.929 5.219 6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.540 4.580 7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.329 3.858 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.354 4.117 6.399 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.700 1.612 5.554 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.969 1.965 7.250 1.00 0.00 H new ATOM 778 N ILE A 54 8.021 2.889 5.719 1.00 0.00 N ATOM 779 CA ILE A 54 7.019 3.027 4.669 1.00 0.00 C ATOM 780 C ILE A 54 6.558 4.474 4.537 1.00 0.00 C ATOM 781 O ILE A 54 5.894 5.009 5.425 1.00 0.00 O ATOM 782 CB ILE A 54 5.794 2.132 4.938 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.237 0.694 5.214 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.834 2.180 3.759 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.849 0.009 4.013 1.00 0.00 C ATOM 0 H ILE A 54 7.723 2.327 6.516 1.00 0.00 H new ATOM 0 HA ILE A 54 7.491 2.712 3.739 1.00 0.00 H new ATOM 0 HB ILE A 54 5.274 2.507 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.961 0.696 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.377 0.116 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.974 1.543 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.498 3.205 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.342 1.826 2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.140 -1.007 4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.121 -0.025 3.203 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.729 0.564 3.687 1.00 0.00 H new ATOM 797 N ASP A 55 6.912 5.103 3.421 1.00 0.00 N ATOM 798 CA ASP A 55 6.533 6.488 3.170 1.00 0.00 C ATOM 799 C ASP A 55 6.129 6.685 1.713 1.00 0.00 C ATOM 800 O ASP A 55 6.170 5.748 0.916 1.00 0.00 O ATOM 801 CB ASP A 55 7.686 7.428 3.525 1.00 0.00 C ATOM 802 CG ASP A 55 9.030 6.889 3.077 1.00 0.00 C ATOM 803 OD1 ASP A 55 9.063 6.111 2.100 1.00 0.00 O ATOM 804 OD2 ASP A 55 10.050 7.245 3.703 1.00 0.00 O ATOM 0 H ASP A 55 7.461 4.675 2.676 1.00 0.00 H new ATOM 0 HA ASP A 55 5.676 6.724 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.515 8.400 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.703 7.587 4.603 1.00 0.00 H new ATOM 809 N GLN A 56 5.739 7.910 1.372 1.00 0.00 N ATOM 810 CA GLN A 56 5.326 8.228 0.011 1.00 0.00 C ATOM 811 C GLN A 56 6.513 8.704 -0.821 1.00 0.00 C ATOM 812 O GLN A 56 6.854 8.100 -1.838 1.00 0.00 O ATOM 813 CB GLN A 56 4.235 9.300 0.023 1.00 0.00 C ATOM 814 CG GLN A 56 4.131 10.078 -1.279 1.00 0.00 C ATOM 815 CD GLN A 56 3.945 9.177 -2.483 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.235 8.071 -2.292 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.433 9.471 -3.575 1.00 0.00 N flip ATOM 0 H GLN A 56 5.701 8.697 2.020 1.00 0.00 H new ATOM 0 HA GLN A 56 4.928 7.320 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.275 8.827 0.232 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.431 9.997 0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.293 10.773 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.032 10.676 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.972 10.331 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.298 8.855 -4.376 1.00 0.00 H new ATOM 915 N CYS A 62 9.032 -1.296 0.918 1.00 0.00 N ATOM 916 CA CYS A 62 8.831 -2.689 1.301 1.00 0.00 C ATOM 917 C CYS A 62 7.432 -3.162 0.916 1.00 0.00 C ATOM 918 O CYS A 62 6.536 -2.353 0.677 1.00 0.00 O ATOM 919 CB CYS A 62 9.043 -2.861 2.806 1.00 0.00 C ATOM 920 SG CYS A 62 8.880 -4.580 3.388 1.00 0.00 S ATOM 0 HA CYS A 62 9.561 -3.296 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.035 -2.493 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.323 -2.239 3.337 1.00 0.00 H new ATOM 0 HG CYS A 62 8.760 -4.590 4.682 1.00 0.00 H new ATOM 925 N GLN A 63 7.254 -4.478 0.858 1.00 0.00 N ATOM 926 CA GLN A 63 5.965 -5.059 0.501 1.00 0.00 C ATOM 927 C GLN A 63 5.203 -5.499 1.747 1.00 0.00 C ATOM 928 O GLN A 63 4.072 -5.069 1.978 1.00 0.00 O ATOM 929 CB GLN A 63 6.162 -6.251 -0.438 1.00 0.00 C ATOM 930 CG GLN A 63 6.431 -5.851 -1.880 1.00 0.00 C ATOM 931 CD GLN A 63 6.980 -6.995 -2.710 1.00 0.00 C ATOM 932 OE1 GLN A 63 8.012 -7.578 -2.377 1.00 0.00 O ATOM 933 NE2 GLN A 63 6.292 -7.322 -3.797 1.00 0.00 N ATOM 0 H GLN A 63 7.985 -5.161 1.053 1.00 0.00 H new ATOM 0 HA GLN A 63 5.379 -4.295 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.994 -6.855 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.273 -6.881 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.507 -5.490 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.139 -5.022 -1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.442 -6.812 -4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.614 -8.084 -4.394 1.00 0.00 H new ATOM 942 N TYR A 64 5.828 -6.357 2.545 1.00 0.00 N ATOM 943 CA TYR A 64 5.207 -6.856 3.766 1.00 0.00 C ATOM 944 C TYR A 64 4.904 -5.714 4.730 1.00 0.00 C ATOM 945 O TYR A 64 3.767 -5.541 5.169 1.00 0.00 O ATOM 946 CB TYR A 64 6.118 -7.882 4.443 1.00 0.00 C ATOM 947 CG TYR A 64 5.963 -7.930 5.946 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.700 -7.087 6.768 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.078 -8.819 6.544 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.561 -7.128 8.142 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.932 -8.866 7.917 1.00 0.00 C ATOM 952 CZ TYR A 64 5.676 -8.019 8.712 1.00 0.00 C ATOM 953 OH TYR A 64 5.534 -8.063 10.080 1.00 0.00 O ATOM 0 H TYR A 64 6.764 -6.721 2.368 1.00 0.00 H new ATOM 0 HA TYR A 64 4.267 -7.337 3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.907 -8.870 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.155 -7.651 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.394 -6.387 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.494 -9.484 5.925 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.142 -6.466 8.766 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.239 -9.562 8.366 1.00 0.00 H new ATOM 0 HH TYR A 64 4.871 -8.744 10.318 1.00 0.00 H new ATOM 963 N CYS A 65 5.930 -4.935 5.055 1.00 0.00 N ATOM 964 CA CYS A 65 5.776 -3.807 5.966 1.00 0.00 C ATOM 965 C CYS A 65 4.616 -2.914 5.536 1.00 0.00 C ATOM 966 O CYS A 65 3.711 -2.633 6.323 1.00 0.00 O ATOM 967 CB CYS A 65 7.069 -2.991 6.024 1.00 0.00 C ATOM 968 SG CYS A 65 8.400 -3.773 6.990 1.00 0.00 S ATOM 0 H CYS A 65 6.878 -5.064 4.701 1.00 0.00 H new ATOM 0 HA CYS A 65 5.558 -4.201 6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.424 -2.821 5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.850 -2.013 6.453 1.00 0.00 H new ATOM 0 HG CYS A 65 9.549 -3.502 6.445 1.00 0.00 H new ATOM 973 N ARG A 66 4.649 -2.473 4.283 1.00 0.00 N ATOM 974 CA ARG A 66 3.602 -1.611 3.749 1.00 0.00 C ATOM 975 C ARG A 66 2.236 -2.283 3.860 1.00 0.00 C ATOM 976 O ARG A 66 1.283 -1.696 4.374 1.00 0.00 O ATOM 977 CB ARG A 66 3.894 -1.264 2.288 1.00 0.00 C ATOM 978 CG ARG A 66 2.718 -0.624 1.567 1.00 0.00 C ATOM 979 CD ARG A 66 2.950 -0.566 0.066 1.00 0.00 C ATOM 980 NE ARG A 66 1.996 0.315 -0.602 1.00 0.00 N ATOM 981 CZ ARG A 66 1.820 0.346 -1.918 1.00 0.00 C ATOM 982 NH1 ARG A 66 2.531 -0.451 -2.704 1.00 0.00 N ATOM 983 NH2 ARG A 66 0.932 1.175 -2.451 1.00 0.00 N ATOM 0 H ARG A 66 5.389 -2.698 3.619 1.00 0.00 H new ATOM 0 HA ARG A 66 3.586 -0.693 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.747 -0.586 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.183 -2.172 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.810 -1.191 1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.559 0.384 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.964 -0.218 -0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.871 -1.570 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 66 1.434 0.941 -0.026 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.215 -1.090 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.394 -0.425 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.383 1.790 -1.850 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.798 1.198 -3.462 1.00 0.00 H new ATOM 997 N LEU A 67 2.148 -3.516 3.374 1.00 0.00 N ATOM 998 CA LEU A 67 0.899 -4.269 3.418 1.00 0.00 C ATOM 999 C LEU A 67 0.363 -4.351 4.843 1.00 0.00 C ATOM 1000 O LEU A 67 -0.831 -4.166 5.080 1.00 0.00 O ATOM 1001 CB LEU A 67 1.109 -5.677 2.858 1.00 0.00 C ATOM 1002 CG LEU A 67 0.056 -6.716 3.244 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.340 -7.274 4.630 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.338 -6.110 3.187 1.00 0.00 C ATOM 0 H LEU A 67 2.927 -4.016 2.945 1.00 0.00 H new ATOM 0 HA LEU A 67 0.166 -3.746 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.145 -5.612 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.084 -6.036 3.189 1.00 0.00 H new ATOM 0 HG LEU A 67 0.103 -7.536 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.420 -8.012 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.322 -7.746 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.321 -6.464 5.359 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.074 -6.864 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.399 -5.271 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.541 -5.760 2.175 1.00 0.00 H new ATOM 1016 N LYS A 68 1.253 -4.627 5.790 1.00 0.00 N ATOM 1017 CA LYS A 68 0.871 -4.730 7.193 1.00 0.00 C ATOM 1018 C LYS A 68 0.420 -3.377 7.735 1.00 0.00 C ATOM 1019 O LYS A 68 -0.642 -3.264 8.348 1.00 0.00 O ATOM 1020 CB LYS A 68 2.042 -5.260 8.024 1.00 0.00 C ATOM 1021 CG LYS A 68 2.343 -6.729 7.782 1.00 0.00 C ATOM 1022 CD LYS A 68 1.266 -7.624 8.371 1.00 0.00 C ATOM 1023 CE LYS A 68 1.356 -9.039 7.822 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.025 -9.705 7.783 1.00 0.00 N ATOM 0 H LYS A 68 2.245 -4.784 5.611 1.00 0.00 H new ATOM 0 HA LYS A 68 0.036 -5.427 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.932 -4.673 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.823 -5.112 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.424 -6.913 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.308 -6.981 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.364 -7.647 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.284 -7.208 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.778 -9.012 6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.037 -9.625 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.129 -10.667 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.367 -9.753 8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.618 -9.160 7.174 1.00 0.00 H new ATOM 1038 N LYS A 69 1.234 -2.352 7.505 1.00 0.00 N ATOM 1039 CA LYS A 69 0.919 -1.005 7.967 1.00 0.00 C ATOM 1040 C LYS A 69 -0.568 -0.708 7.803 1.00 0.00 C ATOM 1041 O LYS A 69 -1.128 0.124 8.519 1.00 0.00 O ATOM 1042 CB LYS A 69 1.744 0.027 7.196 1.00 0.00 C ATOM 1043 CG LYS A 69 1.292 1.459 7.422 1.00 0.00 C ATOM 1044 CD LYS A 69 2.460 2.429 7.363 1.00 0.00 C ATOM 1045 CE LYS A 69 3.144 2.561 8.715 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.547 3.044 8.582 1.00 0.00 N ATOM 0 H LYS A 69 2.117 -2.429 7.001 1.00 0.00 H new ATOM 0 HA LYS A 69 1.170 -0.943 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.790 -0.065 7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.689 -0.199 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.553 1.731 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.801 1.538 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.181 2.087 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.106 3.407 7.036 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.580 3.252 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.139 1.595 9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.979 3.121 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.092 2.372 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.551 3.977 8.123 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.203 -1.392 6.858 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.626 -1.202 6.600 1.00 0.00 C ATOM 1062 C CYS A 70 -3.464 -1.743 7.753 1.00 0.00 C ATOM 1063 O CYS A 70 -4.353 -1.059 8.264 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.026 -1.891 5.295 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.127 -1.301 3.842 1.00 0.00 S ATOM 0 H CYS A 70 -0.755 -2.084 6.257 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.814 -0.132 6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.863 -2.964 5.399 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.094 -1.745 5.132 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.849 -1.444 4.035 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.178 -2.975 8.159 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.907 -3.610 9.251 1.00 0.00 C ATOM 1073 C LEU A 71 -3.554 -2.965 10.588 1.00 0.00 C ATOM 1074 O LEU A 71 -4.182 -3.245 11.610 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.597 -5.107 9.296 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.730 -5.860 7.972 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -3.007 -7.196 8.043 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.196 -6.063 7.619 1.00 0.00 C ATOM 0 H LEU A 71 -2.446 -3.554 7.748 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.973 -3.472 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.579 -5.236 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.260 -5.573 10.024 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.268 -5.261 7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.113 -7.718 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.950 -7.027 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.440 -7.802 8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.272 -6.601 6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.683 -6.641 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.685 -5.094 7.525 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.547 -2.099 10.574 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.112 -1.411 11.783 1.00 0.00 C ATOM 1092 C LYS A 72 -2.845 -0.083 11.948 1.00 0.00 C ATOM 1093 O LYS A 72 -3.455 0.176 12.985 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.601 -1.169 11.742 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.074 -0.407 12.945 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.082 1.093 12.702 1.00 0.00 C ATOM 1097 CE LYS A 72 0.123 1.868 13.994 1.00 0.00 C ATOM 1098 NZ LYS A 72 0.425 3.304 13.739 1.00 0.00 N ATOM 0 H LYS A 72 -2.016 -1.857 9.737 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.350 -2.046 12.637 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.089 -2.129 11.678 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.355 -0.616 10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.683 -0.638 13.819 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.941 -0.735 13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.704 1.352 11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.029 1.384 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.773 1.789 14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.940 1.420 14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.558 3.797 14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.294 3.381 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.365 3.738 13.221 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.783 0.754 10.917 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.443 2.053 10.947 1.00 0.00 C ATOM 1114 C VAL A 73 -4.926 1.909 11.272 1.00 0.00 C ATOM 1115 O VAL A 73 -5.496 2.725 11.994 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.293 2.790 9.603 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.834 3.131 9.341 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.865 1.953 8.469 1.00 0.00 C ATOM 0 H VAL A 73 -2.282 0.555 10.051 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.957 2.636 11.729 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.856 3.722 9.655 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.748 3.651 8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.461 3.773 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.246 2.214 9.308 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.750 2.489 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.332 1.004 8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.923 1.765 8.653 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.545 0.863 10.732 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.957 0.630 10.977 1.00 0.00 C ATOM 1130 C GLY A 74 -7.618 -0.150 9.858 1.00 0.00 C ATOM 1131 O GLY A 74 -8.578 -0.885 10.088 1.00 0.00 O ATOM 0 H GLY A 74 -5.095 0.174 10.130 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.075 0.086 11.914 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.465 1.587 11.098 1.00 0.00 H new ATOM 1135 N MET A 75 -7.103 0.010 8.643 1.00 0.00 N ATOM 1136 CA MET A 75 -7.651 -0.686 7.484 1.00 0.00 C ATOM 1137 C MET A 75 -8.096 -2.097 7.857 1.00 0.00 C ATOM 1138 O MET A 75 -7.298 -2.902 8.337 1.00 0.00 O ATOM 1139 CB MET A 75 -6.614 -0.746 6.361 1.00 0.00 C ATOM 1140 CG MET A 75 -5.993 0.603 6.035 1.00 0.00 C ATOM 1141 SD MET A 75 -5.073 0.587 4.484 1.00 0.00 S ATOM 1142 CE MET A 75 -6.391 0.274 3.312 1.00 0.00 C ATOM 0 H MET A 75 -6.308 0.615 8.436 1.00 0.00 H new ATOM 0 HA MET A 75 -8.521 -0.130 7.136 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.824 -1.442 6.644 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.085 -1.146 5.463 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.779 1.356 5.979 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.326 0.897 6.846 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.988 -0.242 2.441 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.155 -0.347 3.781 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.833 1.220 3.001 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.373 -2.388 7.634 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.923 -3.701 7.948 1.00 0.00 C ATOM 1154 C ARG A 76 -10.072 -4.544 6.685 1.00 0.00 C ATOM 1155 O ARG A 76 -10.490 -4.046 5.640 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.279 -3.557 8.641 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.328 -2.863 7.788 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.460 -2.307 8.639 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.246 -1.309 7.919 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.121 -0.499 8.506 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.318 -0.569 9.815 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -15.799 0.383 7.783 1.00 0.00 N ATOM 0 H ARG A 76 -10.046 -1.732 7.237 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.230 -4.206 8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.644 -4.547 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.147 -2.997 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.863 -2.054 7.225 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.731 -3.567 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.111 -3.123 8.954 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.048 -1.860 9.544 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.116 -1.229 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.798 -1.245 10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.990 0.054 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.649 0.440 6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.470 1.004 8.234 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.728 -5.824 6.790 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.822 -6.736 5.656 1.00 0.00 C ATOM 1178 C ARG A 77 -11.280 -7.029 5.314 1.00 0.00 C ATOM 1179 O ARG A 77 -11.656 -7.071 4.143 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.086 -8.041 5.962 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.601 -7.856 6.228 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.857 -9.181 6.179 1.00 0.00 C ATOM 1183 NE ARG A 77 -7.160 -10.022 7.334 1.00 0.00 N ATOM 1184 CZ ARG A 77 -6.389 -11.027 7.734 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -5.275 -11.315 7.075 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -6.732 -11.747 8.795 1.00 0.00 N ATOM 0 H ARG A 77 -9.382 -6.253 7.648 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.354 -6.257 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.546 -8.512 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.214 -8.725 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.180 -7.174 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.460 -7.394 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.122 -9.712 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.784 -8.993 6.139 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.010 -9.827 7.862 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.008 -10.764 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.685 -12.087 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.588 -11.529 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.139 -12.518 9.101 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.095 -7.232 6.345 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.511 -7.522 6.152 1.00 0.00 C ATOM 1202 C GLU A 78 -14.112 -6.616 5.082 1.00 0.00 C ATOM 1203 O GLU A 78 -14.971 -7.036 4.308 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.273 -7.351 7.468 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.580 -5.903 7.810 1.00 0.00 C ATOM 1206 CD GLU A 78 -15.790 -5.372 7.066 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -16.747 -6.147 6.862 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -15.779 -4.182 6.689 1.00 0.00 O ATOM 0 H GLU A 78 -11.799 -7.201 7.321 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.601 -8.556 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.208 -7.908 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.688 -7.790 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.751 -5.815 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.713 -5.286 7.574 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.653 -5.369 5.045 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.144 -4.403 4.070 1.00 0.00 C ATOM 1217 C ALA A 79 -13.751 -4.805 2.653 1.00 0.00 C ATOM 1218 O ALA A 79 -14.580 -4.800 1.743 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.614 -3.013 4.392 1.00 0.00 C ATOM 0 H ALA A 79 -12.942 -5.004 5.679 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.232 -4.388 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.988 -2.301 3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.949 -2.717 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.524 -3.024 4.365 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.481 -5.153 2.472 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.978 -5.559 1.165 1.00 0.00 C ATOM 1227 C VAL A 80 -12.942 -6.521 0.480 1.00 0.00 C ATOM 1228 O VAL A 80 -13.184 -6.420 -0.722 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.596 -6.229 1.279 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.110 -6.688 -0.088 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.594 -5.278 1.918 1.00 0.00 C ATOM 0 H VAL A 80 -11.781 -5.162 3.214 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.886 -4.653 0.566 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.689 -7.107 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.132 -7.159 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.817 -7.406 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.032 -5.829 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.623 -5.768 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.503 -4.381 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.938 -5.004 2.915 1.00 0.00 H new