USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 Single : A 5 SER OG : rot 36:sc= 0.116 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl -120:sc= -0.0682 (180deg=-2.81!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.0438 (180deg=-2.15!) USER MOD Single : A 16 TYR OH : rot 50:sc= -2.97! USER MOD Single : A 19 SER OG : rot 78:sc= 0.864 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00101 X(o=-0.001,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= -0.865 (180deg=-1.05) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -1.51 (180deg=-1.79) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.69) USER MOD Single : A 41 THR OG1 : rot -70:sc= 1.08 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00515 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 52 TYR OH : rot -17:sc= -1.3 USER MOD Single : A 54 ASN : amide:sc= -0.0899 K(o=-0.09,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -9.69! C(o=-15!,f=-9.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -160:sc= -0.306 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N SER A 5 3.131 -7.680 -3.090 1.00 0.00 N ATOM 66 CA SER A 5 3.650 -7.134 -1.848 1.00 0.00 C ATOM 67 C SER A 5 4.221 -5.735 -2.089 1.00 0.00 C ATOM 68 O SER A 5 3.626 -4.739 -1.681 1.00 0.00 O ATOM 69 CB SER A 5 4.721 -8.050 -1.250 1.00 0.00 C ATOM 70 OG SER A 5 4.271 -9.397 -1.139 1.00 0.00 O ATOM 0 HA SER A 5 2.829 -7.065 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.615 -8.017 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.005 -7.680 -0.265 1.00 0.00 H new ATOM 0 HG SER A 5 3.691 -9.612 -1.899 1.00 0.00 H new ATOM 76 N CYS A 6 5.369 -5.706 -2.750 1.00 0.00 N ATOM 77 CA CYS A 6 6.027 -4.445 -3.051 1.00 0.00 C ATOM 78 C CYS A 6 5.018 -3.530 -3.745 1.00 0.00 C ATOM 79 O CYS A 6 4.767 -2.416 -3.286 1.00 0.00 O ATOM 80 CB CYS A 6 7.287 -4.652 -3.896 1.00 0.00 C ATOM 81 SG CYS A 6 8.152 -3.111 -4.371 1.00 0.00 S ATOM 0 H CYS A 6 5.860 -6.535 -3.085 1.00 0.00 H new ATOM 0 HA CYS A 6 6.363 -3.977 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.980 -5.285 -3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.015 -5.194 -4.802 1.00 0.00 H new ATOM 86 N GLN A 7 4.466 -4.033 -4.839 1.00 0.00 N ATOM 87 CA GLN A 7 3.488 -3.273 -5.601 1.00 0.00 C ATOM 88 C GLN A 7 2.516 -2.562 -4.658 1.00 0.00 C ATOM 89 O GLN A 7 2.429 -1.335 -4.661 1.00 0.00 O ATOM 90 CB GLN A 7 2.739 -4.175 -6.584 1.00 0.00 C ATOM 91 CG GLN A 7 3.363 -4.103 -7.979 1.00 0.00 C ATOM 92 CD GLN A 7 3.725 -5.500 -8.490 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.923 -6.196 -9.091 1.00 0.00 O ATOM 94 NE2 GLN A 7 4.972 -5.870 -8.217 1.00 0.00 N ATOM 0 H GLN A 7 4.677 -4.957 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 7 4.016 -2.517 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.758 -5.204 -6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.692 -3.874 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.666 -3.629 -8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.257 -3.479 -7.950 1.00 0.00 H new ATOM 0 HE21 GLN A 7 5.592 -5.238 -7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.309 -6.786 -8.515 1.00 0.00 H new ATOM 103 N MET A 8 1.809 -3.363 -3.874 1.00 0.00 N ATOM 104 CA MET A 8 0.846 -2.826 -2.928 1.00 0.00 C ATOM 105 C MET A 8 1.432 -1.634 -2.168 1.00 0.00 C ATOM 106 O MET A 8 0.738 -0.645 -1.928 1.00 0.00 O ATOM 107 CB MET A 8 0.443 -3.917 -1.935 1.00 0.00 C ATOM 108 CG MET A 8 -0.156 -5.124 -2.659 1.00 0.00 C ATOM 109 SD MET A 8 -1.488 -5.816 -1.693 1.00 0.00 S ATOM 110 CE MET A 8 -1.571 -7.451 -2.407 1.00 0.00 C ATOM 0 H MET A 8 1.884 -4.380 -3.875 1.00 0.00 H new ATOM 0 HA MET A 8 -0.029 -2.486 -3.482 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.314 -4.229 -1.359 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.282 -3.518 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.525 -4.824 -3.640 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.614 -5.878 -2.825 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.561 -7.611 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.818 -7.545 -3.189 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.385 -8.196 -1.633 1.00 0.00 H new ATOM 120 N CYS A 9 2.700 -1.765 -1.812 1.00 0.00 N ATOM 121 CA CYS A 9 3.386 -0.711 -1.083 1.00 0.00 C ATOM 122 C CYS A 9 3.466 0.522 -1.985 1.00 0.00 C ATOM 123 O CYS A 9 3.318 1.650 -1.516 1.00 0.00 O ATOM 124 CB CYS A 9 4.769 -1.160 -0.608 1.00 0.00 C ATOM 125 SG CYS A 9 6.102 0.070 -0.853 1.00 0.00 S ATOM 0 H CYS A 9 3.272 -2.585 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 9 2.826 -0.465 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.711 -1.406 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.038 -2.076 -1.133 1.00 0.00 H new ATOM 130 N GLU A 10 3.697 0.267 -3.265 1.00 0.00 N ATOM 131 CA GLU A 10 3.797 1.342 -4.237 1.00 0.00 C ATOM 132 C GLU A 10 2.424 1.972 -4.474 1.00 0.00 C ATOM 133 O GLU A 10 2.312 2.980 -5.171 1.00 0.00 O ATOM 134 CB GLU A 10 4.406 0.841 -5.547 1.00 0.00 C ATOM 135 CG GLU A 10 4.999 1.998 -6.354 1.00 0.00 C ATOM 136 CD GLU A 10 5.385 1.542 -7.764 1.00 0.00 C ATOM 137 OE1 GLU A 10 4.451 1.262 -8.545 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.605 1.485 -8.027 1.00 0.00 O ATOM 0 H GLU A 10 3.818 -0.669 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 10 4.461 2.108 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.182 0.106 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.642 0.335 -6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.276 2.811 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.877 2.391 -5.842 1.00 0.00 H new ATOM 146 N LEU A 11 1.413 1.353 -3.882 1.00 0.00 N ATOM 147 CA LEU A 11 0.052 1.841 -4.021 1.00 0.00 C ATOM 148 C LEU A 11 -0.283 2.750 -2.837 1.00 0.00 C ATOM 149 O LEU A 11 -0.892 3.804 -3.011 1.00 0.00 O ATOM 150 CB LEU A 11 -0.921 0.673 -4.194 1.00 0.00 C ATOM 151 CG LEU A 11 -2.408 1.034 -4.202 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.734 1.989 -5.352 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.277 -0.225 -4.239 1.00 0.00 C ATOM 0 H LEU A 11 1.510 0.518 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.046 2.444 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.686 0.166 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.745 -0.042 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.638 1.557 -3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.797 2.230 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.153 2.904 -5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.485 1.514 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.329 0.059 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.051 -0.797 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.070 -0.836 -3.360 1.00 0.00 H new ATOM 165 N VAL A 12 0.129 2.308 -1.658 1.00 0.00 N ATOM 166 CA VAL A 12 -0.119 3.068 -0.444 1.00 0.00 C ATOM 167 C VAL A 12 0.757 4.322 -0.446 1.00 0.00 C ATOM 168 O VAL A 12 0.296 5.405 -0.089 1.00 0.00 O ATOM 169 CB VAL A 12 0.106 2.182 0.783 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.657 0.863 0.654 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.598 1.933 1.013 1.00 0.00 C ATOM 0 H VAL A 12 0.633 1.433 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.157 3.397 -0.404 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.283 2.710 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.480 0.252 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.724 1.067 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.312 0.328 -0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.730 1.301 1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.023 1.436 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.105 2.885 1.171 1.00 0.00 H new ATOM 181 N VAL A 13 2.004 4.134 -0.852 1.00 0.00 N ATOM 182 CA VAL A 13 2.949 5.237 -0.903 1.00 0.00 C ATOM 183 C VAL A 13 2.484 6.251 -1.951 1.00 0.00 C ATOM 184 O VAL A 13 2.229 7.410 -1.627 1.00 0.00 O ATOM 185 CB VAL A 13 4.359 4.707 -1.169 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.810 3.764 -0.050 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.438 4.017 -2.532 1.00 0.00 C ATOM 0 H VAL A 13 2.382 3.234 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 13 2.987 5.753 0.056 1.00 0.00 H new ATOM 0 HB VAL A 13 5.039 5.558 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.815 3.401 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.811 4.300 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.125 2.919 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.451 3.650 -2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.740 3.180 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.179 4.729 -3.316 1.00 0.00 H new ATOM 197 N LYS A 14 2.390 5.778 -3.185 1.00 0.00 N ATOM 198 CA LYS A 14 1.960 6.629 -4.282 1.00 0.00 C ATOM 199 C LYS A 14 0.714 7.408 -3.859 1.00 0.00 C ATOM 200 O LYS A 14 0.514 8.545 -4.284 1.00 0.00 O ATOM 201 CB LYS A 14 1.769 5.804 -5.556 1.00 0.00 C ATOM 202 CG LYS A 14 0.434 5.055 -5.528 1.00 0.00 C ATOM 203 CD LYS A 14 0.213 4.280 -6.829 1.00 0.00 C ATOM 204 CE LYS A 14 -0.467 5.157 -7.881 1.00 0.00 C ATOM 205 NZ LYS A 14 0.201 5.004 -9.193 1.00 0.00 N ATOM 0 H LYS A 14 2.604 4.817 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 14 2.729 7.364 -4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.805 6.459 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.588 5.092 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.417 4.367 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.381 5.763 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.170 3.923 -7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.400 3.400 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.518 4.883 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.434 6.201 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.273 5.606 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.198 5.288 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.148 4.011 -9.496 1.00 0.00 H new ATOM 219 N LYS A 15 -0.093 6.766 -3.027 1.00 0.00 N ATOM 220 CA LYS A 15 -1.315 7.385 -2.543 1.00 0.00 C ATOM 221 C LYS A 15 -0.972 8.385 -1.436 1.00 0.00 C ATOM 222 O LYS A 15 -1.566 9.459 -1.359 1.00 0.00 O ATOM 223 CB LYS A 15 -2.324 6.317 -2.115 1.00 0.00 C ATOM 224 CG LYS A 15 -2.979 5.664 -3.334 1.00 0.00 C ATOM 225 CD LYS A 15 -3.766 6.691 -4.150 1.00 0.00 C ATOM 226 CE LYS A 15 -4.723 6.001 -5.125 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.941 6.818 -5.320 1.00 0.00 N ATOM 0 H LYS A 15 0.076 5.823 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.799 7.947 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.823 5.557 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.090 6.767 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.214 5.206 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.645 4.865 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.330 7.339 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.075 7.328 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.226 5.844 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.995 5.017 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.289 6.696 -6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.675 6.513 -4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.717 7.820 -5.155 1.00 0.00 H new ATOM 241 N TYR A 16 -0.014 7.994 -0.608 1.00 0.00 N ATOM 242 CA TYR A 16 0.415 8.843 0.492 1.00 0.00 C ATOM 243 C TYR A 16 1.424 9.890 0.014 1.00 0.00 C ATOM 244 O TYR A 16 1.093 11.070 -0.098 1.00 0.00 O ATOM 245 CB TYR A 16 1.099 7.915 1.497 1.00 0.00 C ATOM 246 CG TYR A 16 1.874 8.650 2.593 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.626 9.985 2.838 1.00 0.00 C ATOM 248 CD2 TYR A 16 2.822 7.976 3.337 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.356 10.676 3.870 1.00 0.00 C ATOM 250 CE2 TYR A 16 3.552 8.668 4.369 1.00 0.00 C ATOM 251 CZ TYR A 16 3.283 9.983 4.583 1.00 0.00 C ATOM 252 OH TYR A 16 3.972 10.635 5.558 1.00 0.00 O ATOM 0 H TYR A 16 0.477 7.102 -0.676 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.434 9.373 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.345 7.281 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.783 7.257 0.961 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.884 10.512 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.016 6.931 3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.171 11.721 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.296 8.153 4.959 1.00 0.00 H new ATOM 0 HH TYR A 16 3.344 11.112 6.140 1.00 0.00 H new ATOM 262 N GLU A 17 2.633 9.421 -0.256 1.00 0.00 N ATOM 263 CA GLU A 17 3.692 10.301 -0.719 1.00 0.00 C ATOM 264 C GLU A 17 3.147 11.285 -1.757 1.00 0.00 C ATOM 265 O GLU A 17 3.620 12.417 -1.852 1.00 0.00 O ATOM 266 CB GLU A 17 4.864 9.498 -1.287 1.00 0.00 C ATOM 267 CG GLU A 17 4.576 9.046 -2.719 1.00 0.00 C ATOM 268 CD GLU A 17 4.817 10.185 -3.713 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.759 10.967 -3.461 1.00 0.00 O ATOM 270 OE2 GLU A 17 4.055 10.246 -4.701 1.00 0.00 O ATOM 0 H GLU A 17 2.903 8.442 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 17 4.064 10.870 0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.769 10.106 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.052 8.628 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.212 8.198 -2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.544 8.704 -2.796 1.00 0.00 H new ATOM 278 N GLY A 18 2.161 10.817 -2.508 1.00 0.00 N ATOM 279 CA GLY A 18 1.548 11.642 -3.536 1.00 0.00 C ATOM 280 C GLY A 18 0.057 11.846 -3.258 1.00 0.00 C ATOM 281 O GLY A 18 -0.768 11.729 -4.162 1.00 0.00 O ATOM 0 H GLY A 18 1.771 9.878 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.049 12.609 -3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.679 11.172 -4.511 1.00 0.00 H new ATOM 285 N SER A 19 -0.242 12.148 -2.003 1.00 0.00 N ATOM 286 CA SER A 19 -1.619 12.368 -1.594 1.00 0.00 C ATOM 287 C SER A 19 -1.923 13.867 -1.569 1.00 0.00 C ATOM 288 O SER A 19 -2.919 14.312 -2.138 1.00 0.00 O ATOM 289 CB SER A 19 -1.893 11.746 -0.223 1.00 0.00 C ATOM 290 OG SER A 19 -3.130 11.041 -0.195 1.00 0.00 O ATOM 0 H SER A 19 0.446 12.246 -1.256 1.00 0.00 H new ATOM 0 HA SER A 19 -2.273 11.883 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.082 11.065 0.035 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.905 12.529 0.535 1.00 0.00 H new ATOM 0 HG SER A 19 -3.019 10.168 -0.627 1.00 0.00 H new ATOM 296 N ALA A 20 -1.048 14.604 -0.902 1.00 0.00 N ATOM 297 CA ALA A 20 -1.210 16.044 -0.794 1.00 0.00 C ATOM 298 C ALA A 20 -2.189 16.359 0.338 1.00 0.00 C ATOM 299 O ALA A 20 -2.406 17.525 0.670 1.00 0.00 O ATOM 300 CB ALA A 20 -1.673 16.608 -2.139 1.00 0.00 C ATOM 0 H ALA A 20 -0.224 14.231 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.260 16.520 -0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.795 17.688 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.929 16.383 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.625 16.155 -2.415 1.00 0.00 H new ATOM 306 N ASP A 21 -2.754 15.301 0.901 1.00 0.00 N ATOM 307 CA ASP A 21 -3.705 15.450 1.989 1.00 0.00 C ATOM 308 C ASP A 21 -3.067 14.957 3.290 1.00 0.00 C ATOM 309 O ASP A 21 -3.586 15.211 4.375 1.00 0.00 O ATOM 310 CB ASP A 21 -4.965 14.621 1.737 1.00 0.00 C ATOM 311 CG ASP A 21 -6.269 15.265 2.212 1.00 0.00 C ATOM 312 OD1 ASP A 21 -6.349 16.510 2.132 1.00 0.00 O ATOM 313 OD2 ASP A 21 -7.157 14.499 2.645 1.00 0.00 O ATOM 0 H ASP A 21 -2.571 14.337 0.624 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.975 16.504 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.044 14.423 0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.852 13.657 2.232 1.00 0.00 H new ATOM 319 N LYS A 22 -1.950 14.261 3.137 1.00 0.00 N ATOM 320 CA LYS A 22 -1.235 13.730 4.285 1.00 0.00 C ATOM 321 C LYS A 22 -2.236 13.098 5.254 1.00 0.00 C ATOM 322 O LYS A 22 -2.268 13.445 6.434 1.00 0.00 O ATOM 323 CB LYS A 22 -0.363 14.814 4.922 1.00 0.00 C ATOM 324 CG LYS A 22 0.440 15.566 3.858 1.00 0.00 C ATOM 325 CD LYS A 22 1.570 14.695 3.306 1.00 0.00 C ATOM 326 CE LYS A 22 2.936 15.304 3.622 1.00 0.00 C ATOM 327 NZ LYS A 22 3.941 14.239 3.840 1.00 0.00 N ATOM 0 H LYS A 22 -1.522 14.052 2.235 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.548 12.942 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.991 15.515 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.317 14.362 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.220 15.869 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.855 16.478 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.506 13.695 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.457 14.587 2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.252 15.948 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.864 15.932 4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.863 14.670 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.645 13.641 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.021 13.657 2.982 1.00 0.00 H new ATOM 341 N ASP A 23 -3.028 12.179 4.721 1.00 0.00 N ATOM 342 CA ASP A 23 -4.026 11.494 5.525 1.00 0.00 C ATOM 343 C ASP A 23 -3.949 9.991 5.254 1.00 0.00 C ATOM 344 O ASP A 23 -4.443 9.514 4.233 1.00 0.00 O ATOM 345 CB ASP A 23 -5.437 11.967 5.169 1.00 0.00 C ATOM 346 CG ASP A 23 -6.083 12.902 6.194 1.00 0.00 C ATOM 347 OD1 ASP A 23 -6.341 12.421 7.317 1.00 0.00 O ATOM 348 OD2 ASP A 23 -6.303 14.077 5.829 1.00 0.00 O ATOM 0 H ASP A 23 -2.999 11.893 3.742 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.825 11.714 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.401 12.477 4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.076 11.093 5.043 1.00 0.00 H new ATOM 354 N ALA A 24 -3.327 9.285 6.186 1.00 0.00 N ATOM 355 CA ALA A 24 -3.178 7.845 6.061 1.00 0.00 C ATOM 356 C ALA A 24 -4.555 7.211 5.852 1.00 0.00 C ATOM 357 O ALA A 24 -4.655 6.064 5.418 1.00 0.00 O ATOM 358 CB ALA A 24 -2.465 7.294 7.298 1.00 0.00 C ATOM 0 H ALA A 24 -2.920 9.684 7.032 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.565 7.597 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.354 6.214 7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.481 7.754 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.052 7.521 8.188 1.00 0.00 H new ATOM 364 N ASN A 25 -5.582 7.985 6.169 1.00 0.00 N ATOM 365 CA ASN A 25 -6.948 7.514 6.021 1.00 0.00 C ATOM 366 C ASN A 25 -7.318 7.490 4.537 1.00 0.00 C ATOM 367 O ASN A 25 -7.584 6.428 3.977 1.00 0.00 O ATOM 368 CB ASN A 25 -7.932 8.442 6.739 1.00 0.00 C ATOM 369 CG ASN A 25 -8.361 7.852 8.083 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.004 8.336 9.145 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.145 6.783 7.980 1.00 0.00 N ATOM 0 H ASN A 25 -5.495 8.936 6.528 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.009 6.517 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.469 9.416 6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.809 8.603 6.112 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.485 6.317 8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.406 6.429 7.060 1.00 0.00 H new ATOM 378 N VAL A 26 -7.322 8.674 3.942 1.00 0.00 N ATOM 379 CA VAL A 26 -7.655 8.803 2.533 1.00 0.00 C ATOM 380 C VAL A 26 -6.604 8.070 1.697 1.00 0.00 C ATOM 381 O VAL A 26 -6.824 7.796 0.519 1.00 0.00 O ATOM 382 CB VAL A 26 -7.791 10.280 2.160 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.682 10.454 0.928 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.323 11.096 3.341 1.00 0.00 C ATOM 0 H VAL A 26 -7.100 9.553 4.410 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.619 8.339 2.324 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.799 10.656 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.762 11.513 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.245 9.919 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.674 10.054 1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.411 12.143 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.303 10.717 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.635 11.010 4.182 1.00 0.00 H new ATOM 394 N ILE A 27 -5.483 7.774 2.340 1.00 0.00 N ATOM 395 CA ILE A 27 -4.397 7.079 1.671 1.00 0.00 C ATOM 396 C ILE A 27 -4.681 5.576 1.674 1.00 0.00 C ATOM 397 O ILE A 27 -4.920 4.983 0.624 1.00 0.00 O ATOM 398 CB ILE A 27 -3.054 7.453 2.299 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.726 8.927 2.056 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.940 6.530 1.802 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.601 9.399 2.980 1.00 0.00 C ATOM 0 H ILE A 27 -5.304 8.003 3.318 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.331 7.389 0.628 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.132 7.313 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.432 9.071 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.616 9.533 2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.996 6.818 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.175 5.500 2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.854 6.614 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.388 10.450 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.908 9.276 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.705 8.807 2.794 1.00 0.00 H new ATOM 413 N LYS A 28 -4.646 5.002 2.868 1.00 0.00 N ATOM 414 CA LYS A 28 -4.895 3.579 3.022 1.00 0.00 C ATOM 415 C LYS A 28 -6.142 3.195 2.223 1.00 0.00 C ATOM 416 O LYS A 28 -6.164 2.157 1.562 1.00 0.00 O ATOM 417 CB LYS A 28 -4.977 3.208 4.505 1.00 0.00 C ATOM 418 CG LYS A 28 -6.393 3.422 5.046 1.00 0.00 C ATOM 419 CD LYS A 28 -6.561 2.762 6.416 1.00 0.00 C ATOM 420 CE LYS A 28 -5.576 3.346 7.431 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.788 4.803 7.579 1.00 0.00 N ATOM 0 H LYS A 28 -4.449 5.497 3.738 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.065 3.000 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.686 2.166 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.271 3.812 5.074 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.599 4.490 5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.120 3.008 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.582 2.906 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.403 1.687 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.704 2.854 8.395 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.553 3.152 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.221 5.157 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.497 5.287 6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.795 4.991 7.760 1.00 0.00 H new ATOM 435 N LYS A 29 -7.147 4.052 2.308 1.00 0.00 N ATOM 436 CA LYS A 29 -8.395 3.816 1.600 1.00 0.00 C ATOM 437 C LYS A 29 -8.145 3.904 0.093 1.00 0.00 C ATOM 438 O LYS A 29 -8.564 3.028 -0.663 1.00 0.00 O ATOM 439 CB LYS A 29 -9.483 4.768 2.099 1.00 0.00 C ATOM 440 CG LYS A 29 -10.361 4.092 3.155 1.00 0.00 C ATOM 441 CD LYS A 29 -10.208 4.776 4.515 1.00 0.00 C ATOM 442 CE LYS A 29 -11.217 5.916 4.671 1.00 0.00 C ATOM 443 NZ LYS A 29 -11.518 6.525 3.355 1.00 0.00 N ATOM 0 H LYS A 29 -7.124 4.912 2.856 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.765 2.811 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.024 5.662 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.100 5.092 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.404 4.127 2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.089 3.040 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.352 4.046 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.195 5.165 4.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.135 5.538 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.818 6.673 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.137 7.350 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.632 6.827 2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.996 5.827 2.751 1.00 0.00 H new ATOM 457 N ASP A 30 -7.463 4.969 -0.301 1.00 0.00 N ATOM 458 CA ASP A 30 -7.152 5.183 -1.704 1.00 0.00 C ATOM 459 C ASP A 30 -6.582 3.893 -2.298 1.00 0.00 C ATOM 460 O ASP A 30 -7.076 3.401 -3.311 1.00 0.00 O ATOM 461 CB ASP A 30 -6.105 6.285 -1.875 1.00 0.00 C ATOM 462 CG ASP A 30 -6.628 7.585 -2.490 1.00 0.00 C ATOM 463 OD1 ASP A 30 -7.559 7.486 -3.318 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.085 8.648 -2.117 1.00 0.00 O ATOM 0 H ASP A 30 -7.117 5.694 0.328 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.071 5.477 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.674 6.510 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.297 5.904 -2.500 1.00 0.00 H new ATOM 470 N PHE A 31 -5.550 3.383 -1.642 1.00 0.00 N ATOM 471 CA PHE A 31 -4.907 2.160 -2.092 1.00 0.00 C ATOM 472 C PHE A 31 -5.947 1.104 -2.476 1.00 0.00 C ATOM 473 O PHE A 31 -5.921 0.579 -3.587 1.00 0.00 O ATOM 474 CB PHE A 31 -4.072 1.636 -0.922 1.00 0.00 C ATOM 475 CG PHE A 31 -3.673 0.165 -1.052 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.555 -0.812 -0.712 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.435 -0.164 -1.509 1.00 0.00 C ATOM 478 CE1 PHE A 31 -4.183 -2.177 -0.832 1.00 0.00 C ATOM 479 CE2 PHE A 31 -2.064 -1.530 -1.630 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.946 -2.507 -1.289 1.00 0.00 C ATOM 0 H PHE A 31 -5.143 3.795 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.293 2.363 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.169 2.240 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.636 1.769 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.538 -0.550 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.735 0.612 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.883 -2.953 -0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.081 -1.792 -1.993 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.664 -3.545 -1.381 1.00 0.00 H new ATOM 490 N ASP A 32 -6.834 0.825 -1.533 1.00 0.00 N ATOM 491 CA ASP A 32 -7.879 -0.159 -1.758 1.00 0.00 C ATOM 492 C ASP A 32 -8.719 0.262 -2.966 1.00 0.00 C ATOM 493 O ASP A 32 -9.339 -0.577 -3.617 1.00 0.00 O ATOM 494 CB ASP A 32 -8.810 -0.260 -0.548 1.00 0.00 C ATOM 495 CG ASP A 32 -9.693 -1.510 -0.513 1.00 0.00 C ATOM 496 OD1 ASP A 32 -9.216 -2.555 -1.005 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.824 -1.391 0.005 1.00 0.00 O ATOM 0 H ASP A 32 -6.851 1.263 -0.612 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.402 -1.124 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.206 -0.235 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.452 0.621 -0.528 1.00 0.00 H new ATOM 503 N ALA A 33 -8.710 1.560 -3.229 1.00 0.00 N ATOM 504 CA ALA A 33 -9.463 2.102 -4.347 1.00 0.00 C ATOM 505 C ALA A 33 -8.831 1.630 -5.658 1.00 0.00 C ATOM 506 O ALA A 33 -9.391 0.784 -6.353 1.00 0.00 O ATOM 507 CB ALA A 33 -9.511 3.627 -4.239 1.00 0.00 C ATOM 0 H ALA A 33 -8.193 2.252 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.491 1.742 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.076 4.034 -5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.995 3.911 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.497 4.025 -4.258 1.00 0.00 H new ATOM 513 N GLU A 34 -7.672 2.198 -5.957 1.00 0.00 N ATOM 514 CA GLU A 34 -6.958 1.846 -7.173 1.00 0.00 C ATOM 515 C GLU A 34 -6.797 0.328 -7.273 1.00 0.00 C ATOM 516 O GLU A 34 -6.823 -0.231 -8.368 1.00 0.00 O ATOM 517 CB GLU A 34 -5.598 2.546 -7.233 1.00 0.00 C ATOM 518 CG GLU A 34 -4.909 2.291 -8.574 1.00 0.00 C ATOM 519 CD GLU A 34 -5.754 2.819 -9.735 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.397 3.871 -9.536 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.737 2.157 -10.796 1.00 0.00 O ATOM 0 H GLU A 34 -7.210 2.899 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.544 2.187 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.730 3.618 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.965 2.188 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.932 2.774 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.738 1.222 -8.701 1.00 0.00 H new ATOM 529 N CYS A 35 -6.635 -0.295 -6.115 1.00 0.00 N ATOM 530 CA CYS A 35 -6.470 -1.738 -6.060 1.00 0.00 C ATOM 531 C CYS A 35 -7.754 -2.389 -6.580 1.00 0.00 C ATOM 532 O CYS A 35 -7.715 -3.178 -7.522 1.00 0.00 O ATOM 533 CB CYS A 35 -6.122 -2.214 -4.647 1.00 0.00 C ATOM 534 SG CYS A 35 -6.769 -3.869 -4.212 1.00 0.00 S ATOM 0 H CYS A 35 -6.614 0.172 -5.208 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.632 -2.035 -6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.037 -2.224 -4.539 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.507 -1.489 -3.930 1.00 0.00 H new ATOM 539 N LYS A 36 -8.860 -2.035 -5.943 1.00 0.00 N ATOM 540 CA LYS A 36 -10.152 -2.574 -6.329 1.00 0.00 C ATOM 541 C LYS A 36 -10.217 -2.688 -7.853 1.00 0.00 C ATOM 542 O LYS A 36 -10.876 -3.580 -8.385 1.00 0.00 O ATOM 543 CB LYS A 36 -11.284 -1.739 -5.727 1.00 0.00 C ATOM 544 CG LYS A 36 -11.681 -2.267 -4.347 1.00 0.00 C ATOM 545 CD LYS A 36 -12.993 -3.050 -4.415 1.00 0.00 C ATOM 546 CE LYS A 36 -12.869 -4.245 -5.364 1.00 0.00 C ATOM 547 NZ LYS A 36 -14.159 -4.964 -5.463 1.00 0.00 N ATOM 0 H LYS A 36 -8.888 -1.381 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.280 -3.579 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.969 -0.699 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.148 -1.760 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.890 -2.909 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.786 -1.434 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.265 -3.399 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.795 -2.394 -4.753 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.560 -3.902 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.095 -4.923 -5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.058 -5.772 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.438 -5.308 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.889 -4.319 -5.826 1.00 0.00 H new ATOM 561 N LYS A 37 -9.522 -1.773 -8.513 1.00 0.00 N ATOM 562 CA LYS A 37 -9.492 -1.761 -9.966 1.00 0.00 C ATOM 563 C LYS A 37 -8.242 -2.498 -10.453 1.00 0.00 C ATOM 564 O LYS A 37 -8.330 -3.374 -11.311 1.00 0.00 O ATOM 565 CB LYS A 37 -9.605 -0.328 -10.492 1.00 0.00 C ATOM 566 CG LYS A 37 -10.062 0.627 -9.387 1.00 0.00 C ATOM 567 CD LYS A 37 -10.640 1.913 -9.979 1.00 0.00 C ATOM 568 CE LYS A 37 -9.680 2.528 -10.999 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.251 2.447 -12.362 1.00 0.00 N ATOM 0 H LYS A 37 -8.976 -1.035 -8.069 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.353 -2.294 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.641 -0.003 -10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.312 -0.296 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.813 0.138 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.220 0.867 -8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.596 1.700 -10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.835 2.629 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.484 3.569 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.723 2.007 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.587 2.869 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.415 1.451 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.153 2.965 -12.392 1.00 0.00 H new ATOM 583 N LEU A 38 -7.109 -2.114 -9.883 1.00 0.00 N ATOM 584 CA LEU A 38 -5.844 -2.728 -10.249 1.00 0.00 C ATOM 585 C LEU A 38 -5.974 -4.250 -10.155 1.00 0.00 C ATOM 586 O LEU A 38 -5.638 -4.964 -11.098 1.00 0.00 O ATOM 587 CB LEU A 38 -4.706 -2.155 -9.401 1.00 0.00 C ATOM 588 CG LEU A 38 -3.359 -1.993 -10.107 1.00 0.00 C ATOM 589 CD1 LEU A 38 -2.204 -2.062 -9.107 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.205 -3.018 -11.233 1.00 0.00 C ATOM 0 H LEU A 38 -7.041 -1.386 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.591 -2.493 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.016 -1.180 -9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.564 -2.801 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.329 -1.004 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.258 -1.944 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.311 -1.264 -8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.219 -3.027 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.239 -2.882 -11.719 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.264 -4.025 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.002 -2.878 -11.964 1.00 0.00 H new ATOM 602 N PHE A 39 -6.462 -4.700 -9.009 1.00 0.00 N ATOM 603 CA PHE A 39 -6.641 -6.123 -8.780 1.00 0.00 C ATOM 604 C PHE A 39 -8.124 -6.477 -8.648 1.00 0.00 C ATOM 605 O PHE A 39 -8.519 -7.179 -7.719 1.00 0.00 O ATOM 606 CB PHE A 39 -5.932 -6.458 -7.467 1.00 0.00 C ATOM 607 CG PHE A 39 -4.697 -5.597 -7.190 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.845 -4.324 -6.735 1.00 0.00 C ATOM 609 CD2 PHE A 39 -3.453 -6.105 -7.397 1.00 0.00 C ATOM 610 CE1 PHE A 39 -3.699 -3.525 -6.478 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.307 -5.306 -7.140 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.455 -4.033 -6.686 1.00 0.00 C ATOM 0 H PHE A 39 -6.739 -4.104 -8.229 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.234 -6.687 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.637 -6.339 -6.644 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.635 -7.507 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.833 -3.921 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.336 -7.116 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.816 -2.514 -6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.319 -5.709 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.584 -3.425 -6.490 1.00 0.00 H new ATOM 622 N HIS A 40 -8.905 -5.972 -9.593 1.00 0.00 N ATOM 623 CA HIS A 40 -10.336 -6.226 -9.595 1.00 0.00 C ATOM 624 C HIS A 40 -10.604 -7.652 -10.078 1.00 0.00 C ATOM 625 O HIS A 40 -11.461 -8.345 -9.532 1.00 0.00 O ATOM 626 CB HIS A 40 -11.073 -5.171 -10.423 1.00 0.00 C ATOM 627 CG HIS A 40 -11.566 -5.673 -11.759 1.00 0.00 C ATOM 628 ND1 HIS A 40 -12.780 -6.318 -11.916 1.00 0.00 N ATOM 629 CD2 HIS A 40 -10.996 -5.618 -12.997 1.00 0.00 C ATOM 630 CE1 HIS A 40 -12.924 -6.633 -13.194 1.00 0.00 C ATOM 631 NE2 HIS A 40 -11.819 -6.199 -13.863 1.00 0.00 N ATOM 0 H HIS A 40 -8.574 -5.389 -10.362 1.00 0.00 H new ATOM 0 HA HIS A 40 -10.725 -6.145 -8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -11.923 -4.802 -9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.408 -4.323 -10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.039 -5.177 -13.233 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.769 -7.144 -13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.651 -6.303 -14.864 1.00 0.00 H new ATOM 640 N THR A 41 -9.855 -8.048 -11.097 1.00 0.00 N ATOM 641 CA THR A 41 -10.002 -9.381 -11.659 1.00 0.00 C ATOM 642 C THR A 41 -8.893 -10.301 -11.145 1.00 0.00 C ATOM 643 O THR A 41 -8.328 -11.084 -11.907 1.00 0.00 O ATOM 644 CB THR A 41 -10.026 -9.250 -13.183 1.00 0.00 C ATOM 645 OG1 THR A 41 -9.858 -10.587 -13.649 1.00 0.00 O ATOM 646 CG2 THR A 41 -8.802 -8.509 -13.726 1.00 0.00 C ATOM 0 H THR A 41 -9.145 -7.470 -11.548 1.00 0.00 H new ATOM 0 HA THR A 41 -10.937 -9.844 -11.343 1.00 0.00 H new ATOM 0 HB THR A 41 -10.932 -8.727 -13.488 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.945 -10.888 -13.457 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.869 -8.444 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.767 -7.505 -13.303 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.897 -9.050 -13.450 1.00 0.00 H new ATOM 654 N ILE A 42 -8.616 -10.177 -9.855 1.00 0.00 N ATOM 655 CA ILE A 42 -7.585 -10.988 -9.231 1.00 0.00 C ATOM 656 C ILE A 42 -8.180 -11.727 -8.030 1.00 0.00 C ATOM 657 O ILE A 42 -8.974 -11.161 -7.280 1.00 0.00 O ATOM 658 CB ILE A 42 -6.366 -10.131 -8.882 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.426 -10.000 -10.082 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.646 -10.678 -7.647 1.00 0.00 C ATOM 661 CD1 ILE A 42 -4.088 -9.385 -9.666 1.00 0.00 C ATOM 0 H ILE A 42 -9.087 -9.527 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.225 -11.746 -9.927 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.714 -9.128 -8.634 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.257 -10.981 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.893 -9.381 -10.848 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.784 -10.051 -7.421 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.329 -10.676 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.312 -11.697 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.439 -9.303 -10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.258 -8.394 -9.246 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.613 -10.020 -8.918 1.00 0.00 H new ATOM 673 N PRO A 43 -7.765 -13.013 -7.883 1.00 0.00 N ATOM 674 CA PRO A 43 -8.249 -13.835 -6.787 1.00 0.00 C ATOM 675 C PRO A 43 -7.588 -13.434 -5.467 1.00 0.00 C ATOM 676 O PRO A 43 -6.378 -13.582 -5.306 1.00 0.00 O ATOM 677 CB PRO A 43 -7.935 -15.264 -7.199 1.00 0.00 C ATOM 678 CG PRO A 43 -6.876 -15.163 -8.285 1.00 0.00 C ATOM 679 CD PRO A 43 -6.827 -13.717 -8.753 1.00 0.00 C ATOM 0 HA PRO A 43 -9.317 -13.712 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.570 -15.844 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.827 -15.768 -7.570 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.904 -15.473 -7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.117 -15.826 -9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.821 -13.306 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.117 -13.630 -9.800 1.00 0.00 H new ATOM 687 N PHE A 44 -8.411 -12.934 -4.557 1.00 0.00 N ATOM 688 CA PHE A 44 -7.922 -12.511 -3.257 1.00 0.00 C ATOM 689 C PHE A 44 -7.175 -11.180 -3.360 1.00 0.00 C ATOM 690 O PHE A 44 -6.665 -10.672 -2.361 1.00 0.00 O ATOM 691 CB PHE A 44 -6.952 -13.590 -2.771 1.00 0.00 C ATOM 692 CG PHE A 44 -7.349 -15.011 -3.175 1.00 0.00 C ATOM 693 CD1 PHE A 44 -8.641 -15.419 -3.048 1.00 0.00 C ATOM 694 CD2 PHE A 44 -6.411 -15.867 -3.662 1.00 0.00 C ATOM 695 CE1 PHE A 44 -9.009 -16.738 -3.423 1.00 0.00 C ATOM 696 CE2 PHE A 44 -6.779 -17.187 -4.036 1.00 0.00 C ATOM 697 CZ PHE A 44 -8.071 -17.593 -3.909 1.00 0.00 C ATOM 0 H PHE A 44 -9.414 -12.812 -4.695 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.758 -12.376 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.959 -13.375 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.882 -13.538 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.386 -14.739 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.386 -15.543 -3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.034 -17.062 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.034 -17.867 -4.421 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.352 -18.596 -4.195 1.00 0.00 H new ATOM 707 N GLY A 45 -7.134 -10.652 -4.574 1.00 0.00 N ATOM 708 CA GLY A 45 -6.458 -9.390 -4.820 1.00 0.00 C ATOM 709 C GLY A 45 -7.041 -8.277 -3.946 1.00 0.00 C ATOM 710 O GLY A 45 -6.303 -7.563 -3.271 1.00 0.00 O ATOM 0 H GLY A 45 -7.559 -11.076 -5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.393 -9.498 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.555 -9.120 -5.872 1.00 0.00 H new ATOM 714 N THR A 46 -8.361 -8.164 -3.990 1.00 0.00 N ATOM 715 CA THR A 46 -9.052 -7.151 -3.211 1.00 0.00 C ATOM 716 C THR A 46 -9.004 -7.498 -1.722 1.00 0.00 C ATOM 717 O THR A 46 -9.060 -6.611 -0.872 1.00 0.00 O ATOM 718 CB THR A 46 -10.473 -7.021 -3.759 1.00 0.00 C ATOM 719 OG1 THR A 46 -11.034 -8.319 -3.583 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.500 -6.807 -5.275 1.00 0.00 C ATOM 0 H THR A 46 -8.970 -8.758 -4.553 1.00 0.00 H new ATOM 0 HA THR A 46 -8.563 -6.181 -3.302 1.00 0.00 H new ATOM 0 HB THR A 46 -10.976 -6.190 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.957 -8.324 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.533 -6.721 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.960 -5.893 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.026 -7.654 -5.771 1.00 0.00 H new ATOM 728 N ARG A 47 -8.901 -8.791 -1.452 1.00 0.00 N ATOM 729 CA ARG A 47 -8.846 -9.267 -0.080 1.00 0.00 C ATOM 730 C ARG A 47 -7.537 -8.828 0.581 1.00 0.00 C ATOM 731 O ARG A 47 -7.553 -8.141 1.601 1.00 0.00 O ATOM 732 CB ARG A 47 -8.954 -10.791 -0.021 1.00 0.00 C ATOM 733 CG ARG A 47 -10.333 -11.262 -0.485 1.00 0.00 C ATOM 734 CD ARG A 47 -11.428 -10.771 0.464 1.00 0.00 C ATOM 735 NE ARG A 47 -12.713 -11.429 0.138 1.00 0.00 N ATOM 736 CZ ARG A 47 -13.796 -11.395 0.925 1.00 0.00 C ATOM 737 NH1 ARG A 47 -13.756 -10.736 2.092 1.00 0.00 N ATOM 738 NH2 ARG A 47 -14.919 -12.022 0.549 1.00 0.00 N ATOM 0 H ARG A 47 -8.854 -9.524 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.691 -8.834 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.183 -11.238 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.773 -11.133 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.527 -10.893 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.352 -12.351 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.151 -10.988 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.533 -9.689 0.383 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.778 -11.941 -0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.901 -10.261 2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.581 -10.710 2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.949 -12.526 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.743 -11.995 1.149 1.00 0.00 H new ATOM 752 N GLU A 48 -6.436 -9.244 -0.027 1.00 0.00 N ATOM 753 CA GLU A 48 -5.121 -8.903 0.490 1.00 0.00 C ATOM 754 C GLU A 48 -4.991 -7.387 0.652 1.00 0.00 C ATOM 755 O GLU A 48 -4.319 -6.912 1.565 1.00 0.00 O ATOM 756 CB GLU A 48 -4.017 -9.456 -0.413 1.00 0.00 C ATOM 757 CG GLU A 48 -2.774 -9.820 0.401 1.00 0.00 C ATOM 758 CD GLU A 48 -2.386 -8.683 1.349 1.00 0.00 C ATOM 759 OE1 GLU A 48 -1.825 -7.688 0.841 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.660 -8.836 2.559 1.00 0.00 O ATOM 0 H GLU A 48 -6.427 -9.814 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.007 -9.364 1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.381 -10.337 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.757 -8.716 -1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.963 -10.727 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.944 -10.036 -0.272 1.00 0.00 H new ATOM 768 N CYS A 49 -5.646 -6.670 -0.250 1.00 0.00 N ATOM 769 CA CYS A 49 -5.612 -5.218 -0.218 1.00 0.00 C ATOM 770 C CYS A 49 -6.194 -4.752 1.117 1.00 0.00 C ATOM 771 O CYS A 49 -5.558 -3.988 1.843 1.00 0.00 O ATOM 772 CB CYS A 49 -6.355 -4.609 -1.409 1.00 0.00 C ATOM 773 SG CYS A 49 -5.395 -4.553 -2.967 1.00 0.00 S ATOM 0 H CYS A 49 -6.203 -7.067 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.581 -4.874 -0.302 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.267 -5.181 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.659 -3.595 -1.149 1.00 0.00 H new ATOM 778 N ASP A 50 -7.396 -5.230 1.400 1.00 0.00 N ATOM 779 CA ASP A 50 -8.072 -4.872 2.636 1.00 0.00 C ATOM 780 C ASP A 50 -7.261 -5.393 3.825 1.00 0.00 C ATOM 781 O ASP A 50 -7.507 -5.007 4.967 1.00 0.00 O ATOM 782 CB ASP A 50 -9.466 -5.499 2.705 1.00 0.00 C ATOM 783 CG ASP A 50 -10.253 -5.189 3.978 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.651 -4.013 4.128 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.439 -6.134 4.776 1.00 0.00 O ATOM 0 H ASP A 50 -7.920 -5.862 0.795 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.163 -3.786 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.044 -5.157 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.366 -6.580 2.612 1.00 0.00 H new ATOM 791 N HIS A 51 -6.310 -6.263 3.517 1.00 0.00 N ATOM 792 CA HIS A 51 -5.461 -6.841 4.545 1.00 0.00 C ATOM 793 C HIS A 51 -4.091 -6.162 4.520 1.00 0.00 C ATOM 794 O HIS A 51 -3.202 -6.524 5.290 1.00 0.00 O ATOM 795 CB HIS A 51 -5.374 -8.360 4.386 1.00 0.00 C ATOM 796 CG HIS A 51 -5.573 -9.124 5.674 1.00 0.00 C ATOM 797 ND1 HIS A 51 -4.839 -8.866 6.820 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.427 -10.139 5.986 1.00 0.00 C ATOM 799 CE1 HIS A 51 -5.242 -9.695 7.770 1.00 0.00 C ATOM 800 NE2 HIS A 51 -6.227 -10.484 7.251 1.00 0.00 N ATOM 0 H HIS A 51 -6.109 -6.582 2.569 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.898 -6.662 5.527 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.124 -8.683 3.664 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.400 -8.616 3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.146 -10.587 5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.859 -9.739 8.779 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.727 -11.218 7.753 1.00 0.00 H new ATOM 809 N TYR A 52 -3.962 -5.193 3.627 1.00 0.00 N ATOM 810 CA TYR A 52 -2.714 -4.460 3.491 1.00 0.00 C ATOM 811 C TYR A 52 -2.839 -3.051 4.073 1.00 0.00 C ATOM 812 O TYR A 52 -1.915 -2.557 4.717 1.00 0.00 O ATOM 813 CB TYR A 52 -2.447 -4.357 1.989 1.00 0.00 C ATOM 814 CG TYR A 52 -1.008 -3.972 1.638 1.00 0.00 C ATOM 815 CD1 TYR A 52 0.034 -4.808 1.981 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.753 -2.786 0.977 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.388 -4.444 1.650 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.600 -2.423 0.646 1.00 0.00 C ATOM 819 CZ TYR A 52 1.604 -3.270 0.999 1.00 0.00 C ATOM 820 OH TYR A 52 2.883 -2.927 0.688 1.00 0.00 O ATOM 0 H TYR A 52 -4.701 -4.898 2.990 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.911 -4.968 4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.680 -5.314 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.125 -3.619 1.560 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.165 -5.735 2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.569 -2.131 0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.213 -5.089 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.813 -1.499 0.129 1.00 0.00 H new ATOM 0 HH TYR A 52 3.505 -3.464 1.223 1.00 0.00 H new ATOM 830 N VAL A 53 -3.990 -2.443 3.825 1.00 0.00 N ATOM 831 CA VAL A 53 -4.249 -1.100 4.316 1.00 0.00 C ATOM 832 C VAL A 53 -4.718 -1.175 5.770 1.00 0.00 C ATOM 833 O VAL A 53 -5.747 -0.601 6.125 1.00 0.00 O ATOM 834 CB VAL A 53 -5.249 -0.392 3.400 1.00 0.00 C ATOM 835 CG1 VAL A 53 -4.964 -0.705 1.931 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.687 -0.760 3.771 1.00 0.00 C ATOM 0 H VAL A 53 -4.754 -2.856 3.290 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.336 -0.504 4.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.131 0.682 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.689 -0.189 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.959 -0.369 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.040 -1.780 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.378 -0.244 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.824 -1.837 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.885 -0.462 4.801 1.00 0.00 H new ATOM 846 N ASN A 54 -3.942 -1.888 6.573 1.00 0.00 N ATOM 847 CA ASN A 54 -4.265 -2.045 7.982 1.00 0.00 C ATOM 848 C ASN A 54 -3.222 -2.948 8.642 1.00 0.00 C ATOM 849 O ASN A 54 -3.568 -3.843 9.412 1.00 0.00 O ATOM 850 CB ASN A 54 -5.637 -2.698 8.161 1.00 0.00 C ATOM 851 CG ASN A 54 -6.185 -2.445 9.568 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.985 -1.398 10.160 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.883 -3.461 10.067 1.00 0.00 N ATOM 0 H ASN A 54 -3.090 -2.364 6.275 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.273 -1.056 8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.331 -2.303 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.559 -3.771 7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.289 -3.391 11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.012 -4.310 9.517 1.00 0.00 H new ATOM 860 N SER A 55 -1.965 -2.681 8.318 1.00 0.00 N ATOM 861 CA SER A 55 -0.869 -3.459 8.870 1.00 0.00 C ATOM 862 C SER A 55 0.432 -3.120 8.140 1.00 0.00 C ATOM 863 O SER A 55 1.507 -3.134 8.741 1.00 0.00 O ATOM 864 CB SER A 55 -1.155 -4.959 8.777 1.00 0.00 C ATOM 865 OG SER A 55 0.029 -5.738 8.925 1.00 0.00 O ATOM 0 H SER A 55 -1.681 -1.937 7.680 1.00 0.00 H new ATOM 0 HA SER A 55 -0.765 -3.202 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.873 -5.240 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.617 -5.181 7.815 1.00 0.00 H new ATOM 0 HG SER A 55 -0.196 -6.690 8.861 1.00 0.00 H new ATOM 871 N LYS A 56 0.294 -2.824 6.857 1.00 0.00 N ATOM 872 CA LYS A 56 1.445 -2.482 6.039 1.00 0.00 C ATOM 873 C LYS A 56 1.321 -1.030 5.572 1.00 0.00 C ATOM 874 O LYS A 56 2.178 -0.534 4.843 1.00 0.00 O ATOM 875 CB LYS A 56 1.606 -3.484 4.894 1.00 0.00 C ATOM 876 CG LYS A 56 1.830 -4.900 5.432 1.00 0.00 C ATOM 877 CD LYS A 56 0.911 -5.903 4.734 1.00 0.00 C ATOM 878 CE LYS A 56 0.681 -7.136 5.609 1.00 0.00 C ATOM 879 NZ LYS A 56 -0.026 -8.189 4.846 1.00 0.00 N ATOM 0 H LYS A 56 -0.598 -2.814 6.363 1.00 0.00 H new ATOM 0 HA LYS A 56 2.362 -2.552 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.717 -3.467 4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.448 -3.192 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.870 -5.189 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.645 -4.918 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.045 -5.430 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.351 -6.204 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.637 -7.518 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.098 -6.862 6.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.174 -9.019 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.946 -7.826 4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.545 -8.463 4.021 1.00 0.00 H new ATOM 893 N VAL A 57 0.248 -0.390 6.011 1.00 0.00 N ATOM 894 CA VAL A 57 0.000 0.994 5.648 1.00 0.00 C ATOM 895 C VAL A 57 0.474 1.907 6.781 1.00 0.00 C ATOM 896 O VAL A 57 0.759 3.082 6.557 1.00 0.00 O ATOM 897 CB VAL A 57 -1.478 1.188 5.302 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.062 2.391 6.046 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.673 1.331 3.791 1.00 0.00 C ATOM 0 H VAL A 57 -0.461 -0.805 6.616 1.00 0.00 H new ATOM 0 HA VAL A 57 0.566 1.262 4.756 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.018 0.299 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.113 2.507 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.973 2.233 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.516 3.292 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.732 1.468 3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.114 2.195 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.312 0.432 3.291 1.00 0.00 H new ATOM 909 N ASP A 58 0.542 1.331 7.972 1.00 0.00 N ATOM 910 CA ASP A 58 0.977 2.078 9.140 1.00 0.00 C ATOM 911 C ASP A 58 2.502 2.203 9.122 1.00 0.00 C ATOM 912 O ASP A 58 3.043 3.274 9.391 1.00 0.00 O ATOM 913 CB ASP A 58 0.577 1.362 10.431 1.00 0.00 C ATOM 914 CG ASP A 58 -0.234 2.207 11.415 1.00 0.00 C ATOM 915 OD1 ASP A 58 0.405 2.971 12.170 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.477 2.072 11.389 1.00 0.00 O ATOM 0 H ASP A 58 0.303 0.356 8.153 1.00 0.00 H new ATOM 0 HA ASP A 58 0.502 3.059 9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.003 0.476 10.172 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.481 1.016 10.932 1.00 0.00 H new ATOM 922 N PRO A 59 3.168 1.065 8.794 1.00 0.00 N ATOM 923 CA PRO A 59 4.620 1.037 8.736 1.00 0.00 C ATOM 924 C PRO A 59 5.133 1.742 7.478 1.00 0.00 C ATOM 925 O PRO A 59 5.996 2.614 7.560 1.00 0.00 O ATOM 926 CB PRO A 59 4.988 -0.437 8.784 1.00 0.00 C ATOM 927 CG PRO A 59 3.727 -1.193 8.396 1.00 0.00 C ATOM 928 CD PRO A 59 2.560 -0.222 8.468 1.00 0.00 C ATOM 0 HA PRO A 59 5.084 1.576 9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.804 -0.659 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.324 -0.724 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.822 -1.602 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.565 -2.035 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.023 -0.178 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.840 -0.524 9.229 1.00 0.00 H new ATOM 936 N ILE A 60 4.579 1.336 6.345 1.00 0.00 N ATOM 937 CA ILE A 60 4.970 1.918 5.072 1.00 0.00 C ATOM 938 C ILE A 60 5.013 3.441 5.204 1.00 0.00 C ATOM 939 O ILE A 60 6.028 4.066 4.902 1.00 0.00 O ATOM 940 CB ILE A 60 4.052 1.423 3.952 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.399 -0.012 3.552 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.085 2.375 2.756 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.459 -0.520 2.459 1.00 0.00 C ATOM 0 H ILE A 60 3.863 0.612 6.282 1.00 0.00 H new ATOM 0 HA ILE A 60 5.974 1.593 4.797 1.00 0.00 H new ATOM 0 HB ILE A 60 3.029 1.413 4.328 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.429 -0.056 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.333 -0.662 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.424 2.000 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.752 3.364 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.103 2.440 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.728 -1.542 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.432 -0.498 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.546 0.118 1.579 1.00 0.00 H new ATOM 955 N ILE A 61 3.897 3.996 5.654 1.00 0.00 N ATOM 956 CA ILE A 61 3.795 5.435 5.830 1.00 0.00 C ATOM 957 C ILE A 61 4.858 5.900 6.827 1.00 0.00 C ATOM 958 O ILE A 61 5.282 7.054 6.795 1.00 0.00 O ATOM 959 CB ILE A 61 2.369 5.826 6.223 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.357 5.319 5.194 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.256 7.337 6.442 1.00 0.00 C ATOM 962 CD1 ILE A 61 -0.077 5.532 5.685 1.00 0.00 C ATOM 0 H ILE A 61 3.056 3.475 5.902 1.00 0.00 H new ATOM 0 HA ILE A 61 3.994 5.949 4.890 1.00 0.00 H new ATOM 0 HB ILE A 61 2.132 5.344 7.171 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.503 5.840 4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.526 4.259 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.233 7.589 6.720 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.934 7.641 7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.521 7.859 5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.777 5.163 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.226 4.990 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.250 6.595 5.851 1.00 0.00 H new ATOM 974 N HIS A 62 5.258 4.978 7.689 1.00 0.00 N ATOM 975 CA HIS A 62 6.263 5.278 8.694 1.00 0.00 C ATOM 976 C HIS A 62 7.624 5.465 8.019 1.00 0.00 C ATOM 977 O HIS A 62 8.526 6.075 8.592 1.00 0.00 O ATOM 978 CB HIS A 62 6.284 4.202 9.782 1.00 0.00 C ATOM 979 CG HIS A 62 7.459 3.257 9.689 1.00 0.00 C ATOM 980 ND1 HIS A 62 8.206 2.868 8.617 1.00 0.00 N flip ATOM 981 CD2 HIS A 62 7.980 2.599 10.789 1.00 0.00 C flip ATOM 982 CE1 HIS A 62 9.135 2.018 9.039 1.00 0.00 C flip ATOM 983 NE2 HIS A 62 8.996 1.850 10.386 1.00 0.00 N flip ATOM 0 H HIS A 62 4.904 4.022 7.712 1.00 0.00 H new ATOM 0 HA HIS A 62 6.012 6.213 9.195 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.297 4.687 10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.361 3.625 9.726 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.620 2.682 11.804 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.878 1.539 8.419 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.573 1.253 10.979 1.00 0.00 H new ATOM 992 N GLU A 63 7.728 4.930 6.813 1.00 0.00 N ATOM 993 CA GLU A 63 8.963 5.030 6.053 1.00 0.00 C ATOM 994 C GLU A 63 9.015 6.359 5.298 1.00 0.00 C ATOM 995 O GLU A 63 10.019 7.068 5.351 1.00 0.00 O ATOM 996 CB GLU A 63 9.114 3.847 5.094 1.00 0.00 C ATOM 997 CG GLU A 63 9.819 2.674 5.778 1.00 0.00 C ATOM 998 CD GLU A 63 8.945 1.418 5.751 1.00 0.00 C ATOM 999 OE1 GLU A 63 7.996 1.371 6.562 1.00 0.00 O ATOM 1000 OE2 GLU A 63 9.247 0.534 4.921 1.00 0.00 O ATOM 0 H GLU A 63 6.977 4.425 6.342 1.00 0.00 H new ATOM 0 HA GLU A 63 9.800 4.998 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.132 3.531 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.682 4.156 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.766 2.473 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.052 2.937 6.810 1.00 0.00 H new ATOM 1008 N LEU A 64 7.922 6.655 4.611 1.00 0.00 N ATOM 1009 CA LEU A 64 7.831 7.887 3.845 1.00 0.00 C ATOM 1010 C LEU A 64 7.903 9.081 4.798 1.00 0.00 C ATOM 1011 O LEU A 64 8.488 10.111 4.464 1.00 0.00 O ATOM 1012 CB LEU A 64 6.581 7.878 2.963 1.00 0.00 C ATOM 1013 CG LEU A 64 6.391 6.643 2.080 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.916 6.441 1.729 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.271 6.722 0.831 1.00 0.00 C ATOM 0 H LEU A 64 7.092 6.064 4.568 1.00 0.00 H new ATOM 0 HA LEU A 64 8.675 7.974 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.706 7.978 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.607 8.758 2.321 1.00 0.00 H new ATOM 0 HG LEU A 64 6.710 5.767 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.809 5.557 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.339 6.308 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.547 7.314 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.117 5.832 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.006 7.608 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.318 6.782 1.127 1.00 0.00 H new ATOM 1027 N GLU A 65 7.301 8.904 5.965 1.00 0.00 N ATOM 1028 CA GLU A 65 7.290 9.955 6.968 1.00 0.00 C ATOM 1029 C GLU A 65 8.717 10.273 7.420 1.00 0.00 C ATOM 1030 O GLU A 65 9.086 11.439 7.546 1.00 0.00 O ATOM 1031 CB GLU A 65 6.412 9.567 8.160 1.00 0.00 C ATOM 1032 CG GLU A 65 4.984 10.086 7.981 1.00 0.00 C ATOM 1033 CD GLU A 65 4.265 10.187 9.327 1.00 0.00 C ATOM 1034 OE1 GLU A 65 4.848 10.817 10.236 1.00 0.00 O ATOM 1035 OE2 GLU A 65 3.149 9.633 9.417 1.00 0.00 O ATOM 0 H GLU A 65 6.817 8.048 6.238 1.00 0.00 H new ATOM 0 HA GLU A 65 6.863 10.852 6.520 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.398 8.482 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.838 9.973 9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.006 11.065 7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.431 9.420 7.319 1.00 0.00 H new ATOM 1043 N GLY A 66 9.481 9.215 7.650 1.00 0.00 N ATOM 1044 CA GLY A 66 10.858 9.366 8.085 1.00 0.00 C ATOM 1045 C GLY A 66 11.693 10.083 7.021 1.00 0.00 C ATOM 1046 O GLY A 66 12.514 10.940 7.344 1.00 0.00 O ATOM 0 H GLY A 66 9.171 8.249 7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.889 9.929 9.018 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.288 8.386 8.290 1.00 0.00 H new ATOM 1050 N GLY A 67 11.454 9.705 5.773 1.00 0.00 N ATOM 1051 CA GLY A 67 12.174 10.301 4.660 1.00 0.00 C ATOM 1052 C GLY A 67 12.313 9.309 3.504 1.00 0.00 C ATOM 1053 O GLY A 67 12.571 9.706 2.368 1.00 0.00 O ATOM 0 H GLY A 67 10.772 8.994 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.649 11.193 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.162 10.621 4.991 1.00 0.00 H new ATOM 1057 N THR A 68 12.135 8.037 3.833 1.00 0.00 N ATOM 1058 CA THR A 68 12.238 6.986 2.835 1.00 0.00 C ATOM 1059 C THR A 68 11.428 7.351 1.589 1.00 0.00 C ATOM 1060 O THR A 68 10.611 8.271 1.623 1.00 0.00 O ATOM 1061 CB THR A 68 11.795 5.673 3.484 1.00 0.00 C ATOM 1062 OG1 THR A 68 12.730 5.475 4.541 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.007 4.467 2.569 1.00 0.00 C ATOM 0 H THR A 68 11.920 7.711 4.776 1.00 0.00 H new ATOM 0 HA THR A 68 13.266 6.866 2.492 1.00 0.00 H new ATOM 0 HB THR A 68 10.742 5.741 3.757 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.515 4.645 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.676 3.562 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.431 4.599 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.065 4.379 2.323 1.00 0.00 H new ATOM 1071 N ALA A 69 11.683 6.613 0.519 1.00 0.00 N ATOM 1072 CA ALA A 69 10.988 6.847 -0.735 1.00 0.00 C ATOM 1073 C ALA A 69 9.934 5.757 -0.942 1.00 0.00 C ATOM 1074 O ALA A 69 9.877 4.792 -0.180 1.00 0.00 O ATOM 1075 CB ALA A 69 12.002 6.902 -1.879 1.00 0.00 C ATOM 0 H ALA A 69 12.362 5.852 0.495 1.00 0.00 H new ATOM 0 HA ALA A 69 10.470 7.806 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.480 7.078 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.709 7.712 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.540 5.956 -1.934 1.00 0.00 H new ATOM 1081 N PRO A 70 9.105 5.953 -2.002 1.00 0.00 N ATOM 1082 CA PRO A 70 8.057 4.997 -2.318 1.00 0.00 C ATOM 1083 C PRO A 70 8.639 3.736 -2.961 1.00 0.00 C ATOM 1084 O PRO A 70 7.961 2.715 -3.060 1.00 0.00 O ATOM 1085 CB PRO A 70 7.105 5.747 -3.236 1.00 0.00 C ATOM 1086 CG PRO A 70 7.890 6.932 -3.771 1.00 0.00 C ATOM 1087 CD PRO A 70 9.144 7.083 -2.925 1.00 0.00 C ATOM 0 HA PRO A 70 7.535 4.637 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.761 5.107 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.219 6.078 -2.694 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.152 6.775 -4.817 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.288 7.840 -3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.043 7.060 -3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.149 8.032 -2.389 1.00 0.00 H new ATOM 1095 N LYS A 71 9.891 3.850 -3.381 1.00 0.00 N ATOM 1096 CA LYS A 71 10.572 2.732 -4.012 1.00 0.00 C ATOM 1097 C LYS A 71 11.668 2.216 -3.078 1.00 0.00 C ATOM 1098 O LYS A 71 12.788 1.954 -3.514 1.00 0.00 O ATOM 1099 CB LYS A 71 11.083 3.129 -5.398 1.00 0.00 C ATOM 1100 CG LYS A 71 9.972 3.019 -6.445 1.00 0.00 C ATOM 1101 CD LYS A 71 9.954 4.247 -7.357 1.00 0.00 C ATOM 1102 CE LYS A 71 9.374 5.461 -6.629 1.00 0.00 C ATOM 1103 NZ LYS A 71 9.052 6.537 -7.594 1.00 0.00 N ATOM 0 H LYS A 71 10.451 4.698 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 71 9.878 1.908 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.462 4.151 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.918 2.487 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.119 2.120 -7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.008 2.917 -5.948 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.967 4.470 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.362 4.035 -8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.475 5.171 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.089 5.827 -5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.659 7.354 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.917 6.824 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.353 6.189 -8.281 1.00 0.00 H new ATOM 1117 N ASP A 72 11.307 2.084 -1.810 1.00 0.00 N ATOM 1118 CA ASP A 72 12.246 1.604 -0.810 1.00 0.00 C ATOM 1119 C ASP A 72 11.480 1.217 0.458 1.00 0.00 C ATOM 1120 O ASP A 72 11.774 0.194 1.076 1.00 0.00 O ATOM 1121 CB ASP A 72 13.258 2.689 -0.438 1.00 0.00 C ATOM 1122 CG ASP A 72 14.496 2.753 -1.336 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.108 1.682 -1.537 1.00 0.00 O ATOM 1124 OD2 ASP A 72 14.802 3.872 -1.802 1.00 0.00 O ATOM 0 H ASP A 72 10.377 2.301 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 72 12.774 0.747 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.757 3.657 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.581 2.526 0.590 1.00 0.00 H new ATOM 1130 N VAL A 73 10.515 2.055 0.807 1.00 0.00 N ATOM 1131 CA VAL A 73 9.707 1.813 1.989 1.00 0.00 C ATOM 1132 C VAL A 73 9.541 0.305 2.190 1.00 0.00 C ATOM 1133 O VAL A 73 10.247 -0.298 2.997 1.00 0.00 O ATOM 1134 CB VAL A 73 8.371 2.550 1.868 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.335 1.967 2.832 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.551 4.052 2.098 1.00 0.00 C ATOM 0 H VAL A 73 10.275 2.902 0.292 1.00 0.00 H new ATOM 0 HA VAL A 73 10.202 2.206 2.877 1.00 0.00 H new ATOM 0 HB VAL A 73 8.000 2.409 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.395 2.508 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.175 0.914 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.696 2.063 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.587 4.552 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.954 4.221 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.240 4.454 1.355 1.00 0.00 H new ATOM 1146 N CYS A 74 8.605 -0.260 1.441 1.00 0.00 N ATOM 1147 CA CYS A 74 8.339 -1.686 1.528 1.00 0.00 C ATOM 1148 C CYS A 74 9.663 -2.407 1.785 1.00 0.00 C ATOM 1149 O CYS A 74 9.756 -3.239 2.687 1.00 0.00 O ATOM 1150 CB CYS A 74 7.641 -2.207 0.271 1.00 0.00 C ATOM 1151 SG CYS A 74 7.856 -1.163 -1.217 1.00 0.00 S ATOM 0 H CYS A 74 8.022 0.243 0.772 1.00 0.00 H new ATOM 0 HA CYS A 74 7.654 -1.882 2.353 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.016 -3.207 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.575 -2.304 0.478 1.00 0.00 H new ATOM 1156 N THR A 75 10.656 -2.063 0.977 1.00 0.00 N ATOM 1157 CA THR A 75 11.970 -2.667 1.106 1.00 0.00 C ATOM 1158 C THR A 75 12.446 -2.603 2.559 1.00 0.00 C ATOM 1159 O THR A 75 12.891 -3.607 3.115 1.00 0.00 O ATOM 1160 CB THR A 75 12.912 -1.964 0.127 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.059 -1.542 -0.933 1.00 0.00 O ATOM 1162 CG2 THR A 75 13.889 -2.932 -0.543 1.00 0.00 C ATOM 0 H THR A 75 10.576 -1.373 0.230 1.00 0.00 H new ATOM 0 HA THR A 75 11.945 -3.726 0.851 1.00 0.00 H new ATOM 0 HB THR A 75 13.471 -1.191 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.595 -1.371 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.534 -2.382 -1.228 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.499 -3.419 0.218 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.331 -3.686 -1.098 1.00 0.00 H new ATOM 1170 N LYS A 76 12.336 -1.414 3.133 1.00 0.00 N ATOM 1171 CA LYS A 76 12.749 -1.206 4.510 1.00 0.00 C ATOM 1172 C LYS A 76 12.236 -2.362 5.372 1.00 0.00 C ATOM 1173 O LYS A 76 12.999 -2.970 6.120 1.00 0.00 O ATOM 1174 CB LYS A 76 12.303 0.172 5.001 1.00 0.00 C ATOM 1175 CG LYS A 76 13.494 0.982 5.517 1.00 0.00 C ATOM 1176 CD LYS A 76 14.383 1.447 4.362 1.00 0.00 C ATOM 1177 CE LYS A 76 15.099 2.753 4.711 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.337 2.477 5.473 1.00 0.00 N ATOM 0 H LYS A 76 11.966 -0.584 2.669 1.00 0.00 H new ATOM 0 HA LYS A 76 13.836 -1.209 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.816 0.712 4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.565 0.058 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.136 1.847 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.078 0.375 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.118 0.676 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.777 1.588 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.340 3.298 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.438 3.391 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.811 3.374 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.099 1.977 6.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.973 1.886 4.900 1.00 0.00 H new ATOM 1192 N LEU A 77 10.945 -2.630 5.238 1.00 0.00 N ATOM 1193 CA LEU A 77 10.320 -3.702 5.995 1.00 0.00 C ATOM 1194 C LEU A 77 10.398 -5.001 5.190 1.00 0.00 C ATOM 1195 O LEU A 77 9.493 -5.832 5.258 1.00 0.00 O ATOM 1196 CB LEU A 77 8.897 -3.313 6.399 1.00 0.00 C ATOM 1197 CG LEU A 77 8.641 -1.818 6.597 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.191 -1.462 6.266 1.00 0.00 C ATOM 1199 CD2 LEU A 77 9.031 -1.376 8.009 1.00 0.00 C ATOM 0 H LEU A 77 10.315 -2.123 4.616 1.00 0.00 H new ATOM 0 HA LEU A 77 10.856 -3.872 6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.211 -3.681 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.650 -3.830 7.326 1.00 0.00 H new ATOM 0 HG LEU A 77 9.275 -1.268 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.036 -0.393 6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.982 -1.718 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.521 -2.021 6.919 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.839 -0.309 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.442 -1.931 8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.091 -1.573 8.172 1.00 0.00 H new ATOM 1211 N ASN A 78 11.487 -5.136 4.449 1.00 0.00 N ATOM 1212 CA ASN A 78 11.695 -6.320 3.632 1.00 0.00 C ATOM 1213 C ASN A 78 10.385 -6.688 2.932 1.00 0.00 C ATOM 1214 O ASN A 78 10.156 -7.852 2.607 1.00 0.00 O ATOM 1215 CB ASN A 78 12.125 -7.512 4.489 1.00 0.00 C ATOM 1216 CG ASN A 78 13.536 -7.972 4.120 1.00 0.00 C ATOM 1217 OD1 ASN A 78 14.529 -7.508 4.658 1.00 0.00 O ATOM 1218 ND2 ASN A 78 13.570 -8.907 3.175 1.00 0.00 N ATOM 0 H ASN A 78 12.236 -4.445 4.397 1.00 0.00 H new ATOM 0 HA ASN A 78 12.478 -6.096 2.907 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.092 -7.237 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.423 -8.335 4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.465 -9.280 2.858 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.701 -9.251 2.767 1.00 0.00 H new ATOM 1225 N GLU A 79 9.558 -5.674 2.722 1.00 0.00 N ATOM 1226 CA GLU A 79 8.276 -5.876 2.068 1.00 0.00 C ATOM 1227 C GLU A 79 8.462 -5.954 0.551 1.00 0.00 C ATOM 1228 O GLU A 79 7.658 -6.572 -0.144 1.00 0.00 O ATOM 1229 CB GLU A 79 7.289 -4.770 2.444 1.00 0.00 C ATOM 1230 CG GLU A 79 5.952 -5.360 2.899 1.00 0.00 C ATOM 1231 CD GLU A 79 4.970 -5.457 1.730 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.828 -4.437 1.021 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.382 -6.548 1.571 1.00 0.00 O ATOM 0 H GLU A 79 9.751 -4.710 2.993 1.00 0.00 H new ATOM 0 HA GLU A 79 7.858 -6.822 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.710 -4.157 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.129 -4.114 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.114 -6.350 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.525 -4.739 3.687 1.00 0.00 H new ATOM 1241 N CYS A 80 9.526 -5.317 0.084 1.00 0.00 N ATOM 1242 CA CYS A 80 9.827 -5.308 -1.338 1.00 0.00 C ATOM 1243 C CYS A 80 11.224 -5.896 -1.537 1.00 0.00 C ATOM 1244 O CYS A 80 12.153 -5.566 -0.800 1.00 0.00 O ATOM 1245 CB CYS A 80 9.709 -3.902 -1.931 1.00 0.00 C ATOM 1246 SG CYS A 80 10.129 -3.781 -3.707 1.00 0.00 S ATOM 0 H CYS A 80 10.190 -4.804 0.664 1.00 0.00 H new ATOM 0 HA CYS A 80 9.098 -5.919 -1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.688 -3.547 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.361 -3.231 -1.371 1.00 0.00 H new ATOM 1251 N PRO A 81 11.335 -6.782 -2.564 1.00 0.00 N ATOM 1252 CA PRO A 81 10.187 -7.118 -3.389 1.00 0.00 C ATOM 1253 C PRO A 81 9.229 -8.049 -2.643 1.00 0.00 C ATOM 1254 O PRO A 81 8.822 -9.081 -3.174 1.00 0.00 O ATOM 1255 CB PRO A 81 10.772 -7.747 -4.642 1.00 0.00 C ATOM 1256 CG PRO A 81 12.188 -8.164 -4.276 1.00 0.00 C ATOM 1257 CD PRO A 81 12.550 -7.482 -2.966 1.00 0.00 C ATOM 0 HA PRO A 81 9.583 -6.247 -3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 81 10.182 -8.606 -4.960 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.775 -7.038 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.253 -9.247 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.886 -7.876 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.856 -8.208 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.381 -6.789 -3.097 1.00 0.00 H new