USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -162:sc= 0.246 USER MOD Set 1.2: A 71 CYS SG : rot -89:sc= -0.207 USER MOD Set 1.3: A 84 HIS :FLIP no HD1:sc= -1.96 F(o=-2.3,f=-1.4) USER MOD Set 1.4: A 88 CYS SG : rot -31:sc= 0.56 USER MOD Set 2.1: A 40 CYS SG : rot 168:sc= -3 USER MOD Set 2.2: A 43 CYS SG : rot -66:sc= -1.3 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -5.63! X(o=-19!,f=-19) USER MOD Set 2.4: A 57 MET CE :methyl 179:sc= -5.57! (180deg=-2.81!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -3.88! C(o=-19!,f=-21!) USER MOD Set 3.1: A 13 CYS SG : rot 87:sc= -0.699 USER MOD Set 3.2: A 15 CYS SG : rot -66:sc= -0.144 USER MOD Set 3.3: A 28 HIS :FLIP no HD1:sc= -2.31 F(o=-7,f=-5.7) USER MOD Set 3.4: A 31 MET CE :methyl 135:sc= -0.409 (180deg=-0.891) USER MOD Set 3.5: A 32 HIS :FLIP no HD1:sc= -2.1 X(o=-6.1,f=-5.7) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 32:sc= 0.751 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.137 USER MOD Single : A 24 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.3) USER MOD Single : A 29 MET CE :methyl -113:sc= -0.289 (180deg=-2.75!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.789) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -1.33 F(o=-2.7!,f=-1.3) USER MOD Single : A 52 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-3.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.765 F(o=-3.1!,f=-0.76) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -154:sc= 0 (180deg=-0.461) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -1.65 K(o=-1.6,f=-2.5) USER MOD Single : A 86 THR OG1 : rot 63:sc= 1.22 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.746 6.757 16.765 1.00 0.00 N ATOM 120 CA TYR A 11 3.188 6.703 16.976 1.00 0.00 C ATOM 121 C TYR A 11 3.939 6.902 15.663 1.00 0.00 C ATOM 122 O TYR A 11 3.730 6.185 14.684 1.00 0.00 O ATOM 123 CB TYR A 11 3.583 5.366 17.606 1.00 0.00 C ATOM 124 CG TYR A 11 2.886 5.085 18.918 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.532 4.776 18.957 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.583 5.129 20.120 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.892 4.520 20.154 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.951 4.872 21.321 1.00 0.00 C ATOM 129 CZ TYR A 11 1.606 4.569 21.333 1.00 0.00 C ATOM 130 OH TYR A 11 0.972 4.312 22.527 1.00 0.00 O ATOM 0 HA TYR A 11 3.461 7.511 17.655 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.357 4.563 16.905 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.661 5.354 17.767 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.970 4.735 18.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.636 5.368 20.115 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.162 4.283 20.167 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.508 4.908 22.246 1.00 0.00 H new ATOM 0 HH TYR A 11 1.616 4.386 23.262 1.00 0.00 H new ATOM 140 N PRO A 12 4.836 7.899 15.641 1.00 0.00 N ATOM 141 CA PRO A 12 5.638 8.216 14.456 1.00 0.00 C ATOM 142 C PRO A 12 6.678 7.142 14.156 1.00 0.00 C ATOM 143 O PRO A 12 7.340 6.634 15.062 1.00 0.00 O ATOM 144 CB PRO A 12 6.322 9.532 14.832 1.00 0.00 C ATOM 145 CG PRO A 12 6.372 9.521 16.321 1.00 0.00 C ATOM 146 CD PRO A 12 5.136 8.793 16.772 1.00 0.00 C ATOM 0 HA PRO A 12 5.027 8.280 13.556 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.322 9.595 14.403 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.761 10.390 14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.272 9.020 16.677 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.394 10.536 16.718 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.312 8.234 17.691 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.314 9.481 16.970 1.00 0.00 H new ATOM 154 N CYS A 13 6.818 6.800 12.880 1.00 0.00 N ATOM 155 CA CYS A 13 7.778 5.787 12.460 1.00 0.00 C ATOM 156 C CYS A 13 8.874 6.401 11.593 1.00 0.00 C ATOM 157 O CYS A 13 8.655 7.410 10.923 1.00 0.00 O ATOM 158 CB CYS A 13 7.069 4.670 11.690 1.00 0.00 C ATOM 159 SG CYS A 13 8.041 3.137 11.540 1.00 0.00 S ATOM 0 H CYS A 13 6.278 7.210 12.118 1.00 0.00 H new ATOM 0 HA CYS A 13 8.239 5.367 13.354 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.126 4.442 12.187 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.824 5.031 10.691 1.00 0.00 H new ATOM 0 HG CYS A 13 7.841 2.392 12.586 1.00 0.00 H new ATOM 164 N GLN A 14 10.051 5.784 11.612 1.00 0.00 N ATOM 165 CA GLN A 14 11.180 6.271 10.828 1.00 0.00 C ATOM 166 C GLN A 14 10.755 6.584 9.397 1.00 0.00 C ATOM 167 O GLN A 14 11.042 7.662 8.875 1.00 0.00 O ATOM 168 CB GLN A 14 12.308 5.237 10.823 1.00 0.00 C ATOM 169 CG GLN A 14 13.677 5.831 10.534 1.00 0.00 C ATOM 170 CD GLN A 14 14.810 4.902 10.921 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.763 5.310 11.586 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.713 3.645 10.506 1.00 0.00 N ATOM 0 H GLN A 14 10.248 4.947 12.161 1.00 0.00 H new ATOM 0 HA GLN A 14 11.541 7.190 11.289 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.335 4.737 11.791 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.087 4.474 10.076 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.751 6.065 9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.782 6.771 11.075 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.905 3.350 9.957 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.446 2.974 10.736 1.00 0.00 H new ATOM 181 N CYS A 15 10.070 5.635 8.768 1.00 0.00 N ATOM 182 CA CYS A 15 9.606 5.808 7.397 1.00 0.00 C ATOM 183 C CYS A 15 8.825 7.110 7.248 1.00 0.00 C ATOM 184 O CYS A 15 8.837 7.736 6.189 1.00 0.00 O ATOM 185 CB CYS A 15 8.731 4.625 6.979 1.00 0.00 C ATOM 186 SG CYS A 15 7.368 4.264 8.133 1.00 0.00 S ATOM 0 H CYS A 15 9.824 4.738 9.186 1.00 0.00 H new ATOM 0 HA CYS A 15 10.480 5.852 6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.314 4.826 5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.358 3.738 6.885 1.00 0.00 H new ATOM 0 HG CYS A 15 7.856 3.861 9.269 1.00 0.00 H new ATOM 191 N GLY A 16 8.145 7.512 8.317 1.00 0.00 N ATOM 192 CA GLY A 16 7.368 8.737 8.285 1.00 0.00 C ATOM 193 C GLY A 16 5.883 8.487 8.458 1.00 0.00 C ATOM 194 O GLY A 16 5.069 9.397 8.301 1.00 0.00 O ATOM 0 H GLY A 16 8.118 7.011 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.715 9.404 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.539 9.247 7.337 1.00 0.00 H new ATOM 198 N LYS A 17 5.527 7.247 8.780 1.00 0.00 N ATOM 199 CA LYS A 17 4.130 6.878 8.974 1.00 0.00 C ATOM 200 C LYS A 17 3.733 7.003 10.441 1.00 0.00 C ATOM 201 O LYS A 17 4.571 7.275 11.301 1.00 0.00 O ATOM 202 CB LYS A 17 3.888 5.446 8.490 1.00 0.00 C ATOM 203 CG LYS A 17 3.780 5.325 6.980 1.00 0.00 C ATOM 204 CD LYS A 17 3.497 3.894 6.554 1.00 0.00 C ATOM 205 CE LYS A 17 3.012 3.826 5.114 1.00 0.00 C ATOM 206 NZ LYS A 17 2.696 2.431 4.700 1.00 0.00 N ATOM 0 H LYS A 17 6.187 6.481 8.912 1.00 0.00 H new ATOM 0 HA LYS A 17 3.515 7.562 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.702 4.811 8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.971 5.068 8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.985 5.977 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.707 5.666 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.401 3.295 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.746 3.459 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.124 4.448 5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.776 4.236 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.369 2.428 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.549 1.842 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.949 2.048 5.313 1.00 0.00 H new ATOM 220 N SER A 18 2.449 6.803 10.721 1.00 0.00 N ATOM 221 CA SER A 18 1.940 6.897 12.084 1.00 0.00 C ATOM 222 C SER A 18 0.966 5.760 12.380 1.00 0.00 C ATOM 223 O SER A 18 -0.120 5.692 11.803 1.00 0.00 O ATOM 224 CB SER A 18 1.250 8.245 12.303 1.00 0.00 C ATOM 225 OG SER A 18 0.133 8.391 11.442 1.00 0.00 O ATOM 0 H SER A 18 1.742 6.575 10.022 1.00 0.00 H new ATOM 0 HA SER A 18 2.786 6.815 12.767 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.927 8.328 13.341 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.959 9.053 12.125 1.00 0.00 H new ATOM 0 HG SER A 18 -0.270 7.513 11.278 1.00 0.00 H new ATOM 231 N PHE A 19 1.362 4.869 13.282 1.00 0.00 N ATOM 232 CA PHE A 19 0.526 3.734 13.654 1.00 0.00 C ATOM 233 C PHE A 19 -0.310 4.056 14.889 1.00 0.00 C ATOM 234 O PHE A 19 -0.168 5.122 15.490 1.00 0.00 O ATOM 235 CB PHE A 19 1.392 2.500 13.919 1.00 0.00 C ATOM 236 CG PHE A 19 2.241 2.102 12.746 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.316 2.884 12.354 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.965 0.945 12.035 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.099 2.520 11.275 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.745 0.575 10.955 1.00 0.00 C ATOM 241 CZ PHE A 19 3.814 1.363 10.575 1.00 0.00 C ATOM 0 H PHE A 19 2.257 4.911 13.769 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.149 3.525 12.824 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.038 2.696 14.775 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.747 1.665 14.191 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.544 3.788 12.898 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.131 0.325 12.328 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.933 3.139 10.979 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.519 -0.329 10.409 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.426 1.076 9.733 1.00 0.00 H new ATOM 251 N THR A 20 -1.185 3.128 15.264 1.00 0.00 N ATOM 252 CA THR A 20 -2.046 3.312 16.425 1.00 0.00 C ATOM 253 C THR A 20 -1.439 2.668 17.667 1.00 0.00 C ATOM 254 O THR A 20 -1.680 3.113 18.790 1.00 0.00 O ATOM 255 CB THR A 20 -3.447 2.720 16.186 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.004 3.251 14.978 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.371 3.027 17.354 1.00 0.00 C ATOM 0 H THR A 20 -1.316 2.240 14.779 1.00 0.00 H new ATOM 0 HA THR A 20 -2.137 4.387 16.583 1.00 0.00 H new ATOM 0 HB THR A 20 -3.349 1.638 16.096 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.894 2.868 14.832 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.355 2.599 17.162 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.959 2.596 18.267 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.462 4.107 17.472 1.00 0.00 H new ATOM 265 N HIS A 21 -0.651 1.618 17.458 1.00 0.00 N ATOM 266 CA HIS A 21 -0.009 0.913 18.562 1.00 0.00 C ATOM 267 C HIS A 21 1.507 1.077 18.502 1.00 0.00 C ATOM 268 O HIS A 21 2.107 1.012 17.429 1.00 0.00 O ATOM 269 CB HIS A 21 -0.375 -0.571 18.529 1.00 0.00 C ATOM 270 CG HIS A 21 -1.699 -0.875 19.160 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.876 -0.982 20.524 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.915 -1.093 18.606 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.143 -1.254 20.781 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.795 -1.327 19.634 1.00 0.00 N ATOM 0 H HIS A 21 -0.442 1.237 16.535 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.367 1.347 19.496 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.389 -0.911 17.493 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.401 -1.140 19.041 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.149 -1.084 17.552 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.573 -1.393 21.762 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.790 -1.525 19.529 1.00 0.00 H new ATOM 282 N LYS A 22 2.121 1.289 19.661 1.00 0.00 N ATOM 283 CA LYS A 22 3.566 1.461 19.742 1.00 0.00 C ATOM 284 C LYS A 22 4.291 0.287 19.092 1.00 0.00 C ATOM 285 O LYS A 22 5.262 0.473 18.359 1.00 0.00 O ATOM 286 CB LYS A 22 4.003 1.600 21.202 1.00 0.00 C ATOM 287 CG LYS A 22 5.497 1.815 21.372 1.00 0.00 C ATOM 288 CD LYS A 22 5.805 2.628 22.618 1.00 0.00 C ATOM 289 CE LYS A 22 5.764 1.765 23.870 1.00 0.00 C ATOM 290 NZ LYS A 22 7.041 1.027 24.078 1.00 0.00 N ATOM 0 H LYS A 22 1.639 1.346 20.558 1.00 0.00 H new ATOM 0 HA LYS A 22 3.829 2.371 19.203 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.470 2.437 21.654 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.709 0.703 21.747 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.000 0.850 21.433 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.894 2.327 20.495 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.790 3.085 22.522 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.085 3.441 22.711 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.562 2.393 24.738 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.942 1.053 23.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.972 0.451 24.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.221 0.408 23.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.822 1.706 24.176 1.00 0.00 H new ATOM 304 N SER A 23 3.812 -0.923 19.366 1.00 0.00 N ATOM 305 CA SER A 23 4.417 -2.128 18.810 1.00 0.00 C ATOM 306 C SER A 23 4.461 -2.060 17.286 1.00 0.00 C ATOM 307 O SER A 23 5.533 -2.102 16.684 1.00 0.00 O ATOM 308 CB SER A 23 3.637 -3.367 19.254 1.00 0.00 C ATOM 309 OG SER A 23 2.265 -3.253 18.919 1.00 0.00 O ATOM 0 H SER A 23 3.007 -1.094 19.969 1.00 0.00 H new ATOM 0 HA SER A 23 5.439 -2.197 19.183 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.058 -4.254 18.781 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.742 -3.500 20.331 1.00 0.00 H new ATOM 0 HG SER A 23 1.789 -4.058 19.212 1.00 0.00 H new ATOM 315 N GLN A 24 3.287 -1.956 16.671 1.00 0.00 N ATOM 316 CA GLN A 24 3.192 -1.883 15.218 1.00 0.00 C ATOM 317 C GLN A 24 4.220 -0.909 14.652 1.00 0.00 C ATOM 318 O GLN A 24 4.825 -1.165 13.611 1.00 0.00 O ATOM 319 CB GLN A 24 1.784 -1.456 14.799 1.00 0.00 C ATOM 320 CG GLN A 24 0.831 -2.622 14.592 1.00 0.00 C ATOM 321 CD GLN A 24 0.941 -3.227 13.206 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.883 -2.942 12.465 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.022 -4.069 12.849 1.00 0.00 N ATOM 0 H GLN A 24 2.390 -1.920 17.155 1.00 0.00 H new ATOM 0 HA GLN A 24 3.399 -2.875 14.816 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.373 -0.792 15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.848 -0.881 13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.036 -3.391 15.337 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.192 -2.284 14.756 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.784 -4.276 13.495 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.000 -4.508 11.929 1.00 0.00 H new ATOM 332 N ARG A 25 4.413 0.209 15.345 1.00 0.00 N ATOM 333 CA ARG A 25 5.367 1.222 14.911 1.00 0.00 C ATOM 334 C ARG A 25 6.801 0.752 15.141 1.00 0.00 C ATOM 335 O ARG A 25 7.696 1.048 14.350 1.00 0.00 O ATOM 336 CB ARG A 25 5.123 2.535 15.656 1.00 0.00 C ATOM 337 CG ARG A 25 6.129 3.624 15.317 1.00 0.00 C ATOM 338 CD ARG A 25 7.323 3.592 16.258 1.00 0.00 C ATOM 339 NE ARG A 25 6.949 3.933 17.628 1.00 0.00 N ATOM 340 CZ ARG A 25 7.819 4.327 18.551 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.107 4.430 18.252 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.402 4.620 19.776 1.00 0.00 N ATOM 0 H ARG A 25 3.921 0.436 16.209 1.00 0.00 H new ATOM 0 HA ARG A 25 5.224 1.387 13.843 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.120 2.894 15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.153 2.345 16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.471 3.498 14.290 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.645 4.599 15.375 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.771 2.599 16.241 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.082 4.290 15.905 1.00 0.00 H new ATOM 0 HE ARG A 25 5.966 3.865 17.890 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.432 4.206 17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.773 4.733 18.963 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.412 4.543 20.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.071 4.922 20.484 1.00 0.00 H new ATOM 356 N ASP A 26 7.010 0.020 16.230 1.00 0.00 N ATOM 357 CA ASP A 26 8.334 -0.491 16.564 1.00 0.00 C ATOM 358 C ASP A 26 8.771 -1.561 15.569 1.00 0.00 C ATOM 359 O ASP A 26 9.841 -1.464 14.968 1.00 0.00 O ATOM 360 CB ASP A 26 8.340 -1.062 17.983 1.00 0.00 C ATOM 361 CG ASP A 26 9.726 -1.069 18.599 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.676 -1.507 17.918 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.860 -0.634 19.762 1.00 0.00 O ATOM 0 H ASP A 26 6.280 -0.233 16.896 1.00 0.00 H new ATOM 0 HA ASP A 26 9.040 0.337 16.511 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.670 -0.475 18.611 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.949 -2.079 17.964 1.00 0.00 H new ATOM 368 N ARG A 27 7.937 -2.582 15.402 1.00 0.00 N ATOM 369 CA ARG A 27 8.238 -3.672 14.481 1.00 0.00 C ATOM 370 C ARG A 27 8.459 -3.144 13.067 1.00 0.00 C ATOM 371 O ARG A 27 9.254 -3.695 12.304 1.00 0.00 O ATOM 372 CB ARG A 27 7.103 -4.697 14.483 1.00 0.00 C ATOM 373 CG ARG A 27 5.724 -4.080 14.314 1.00 0.00 C ATOM 374 CD ARG A 27 5.297 -4.062 12.855 1.00 0.00 C ATOM 375 NE ARG A 27 5.221 -5.407 12.290 1.00 0.00 N ATOM 376 CZ ARG A 27 4.499 -5.714 11.218 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.794 -4.777 10.598 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.480 -6.961 10.764 1.00 0.00 N ATOM 0 H ARG A 27 7.048 -2.677 15.892 1.00 0.00 H new ATOM 0 HA ARG A 27 9.156 -4.155 14.817 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.271 -5.414 13.680 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.130 -5.254 15.419 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.998 -4.643 14.900 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.729 -3.063 14.705 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.325 -3.577 12.768 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.004 -3.466 12.278 1.00 0.00 H new ATOM 0 HE ARG A 27 5.751 -6.151 12.743 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.805 -3.818 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.241 -5.016 9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.020 -7.685 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.925 -7.196 9.941 1.00 0.00 H new ATOM 392 N HIS A 28 7.751 -2.073 12.723 1.00 0.00 N ATOM 393 CA HIS A 28 7.870 -1.470 11.400 1.00 0.00 C ATOM 394 C HIS A 28 9.210 -0.757 11.246 1.00 0.00 C ATOM 395 O HIS A 28 9.786 -0.728 10.160 1.00 0.00 O ATOM 396 CB HIS A 28 6.725 -0.485 11.160 1.00 0.00 C ATOM 397 CG HIS A 28 6.425 -0.257 9.711 1.00 0.00 C ATOM 398 ND1 HIS A 28 5.796 -1.039 8.803 1.00 0.00 N flip ATOM 399 CD2 HIS A 28 6.786 0.892 9.040 1.00 0.00 C flip ATOM 400 CE1 HIS A 28 5.787 -0.355 7.612 1.00 0.00 C flip ATOM 401 NE2 HIS A 28 6.390 0.808 7.782 1.00 0.00 N flip ATOM 0 H HIS A 28 7.089 -1.605 13.342 1.00 0.00 H new ATOM 0 HA HIS A 28 7.815 -2.267 10.659 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.827 -0.857 11.654 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.974 0.469 11.626 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.311 1.730 9.475 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.357 -0.710 6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.527 1.520 7.064 1.00 0.00 H new ATOM 409 N MET A 29 9.699 -0.184 12.341 1.00 0.00 N ATOM 410 CA MET A 29 10.971 0.528 12.327 1.00 0.00 C ATOM 411 C MET A 29 12.127 -0.429 12.051 1.00 0.00 C ATOM 412 O MET A 29 12.978 -0.161 11.203 1.00 0.00 O ATOM 413 CB MET A 29 11.194 1.244 13.661 1.00 0.00 C ATOM 414 CG MET A 29 10.626 2.653 13.697 1.00 0.00 C ATOM 415 SD MET A 29 11.375 3.672 14.982 1.00 0.00 S ATOM 416 CE MET A 29 13.070 3.747 14.409 1.00 0.00 C ATOM 0 H MET A 29 9.234 -0.199 13.249 1.00 0.00 H new ATOM 0 HA MET A 29 10.936 1.268 11.527 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.739 0.657 14.459 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.264 1.287 13.867 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.779 3.127 12.728 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.550 2.602 13.860 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.714 3.212 15.107 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.142 3.287 13.424 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.387 4.788 14.347 1.00 0.00 H new ATOM 426 N SER A 30 12.150 -1.545 12.772 1.00 0.00 N ATOM 427 CA SER A 30 13.204 -2.540 12.607 1.00 0.00 C ATOM 428 C SER A 30 13.313 -2.979 11.150 1.00 0.00 C ATOM 429 O SER A 30 14.411 -3.150 10.623 1.00 0.00 O ATOM 430 CB SER A 30 12.933 -3.753 13.499 1.00 0.00 C ATOM 431 OG SER A 30 12.907 -3.385 14.867 1.00 0.00 O ATOM 0 H SER A 30 11.451 -1.783 13.476 1.00 0.00 H new ATOM 0 HA SER A 30 14.149 -2.085 12.903 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.981 -4.206 13.223 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.703 -4.507 13.337 1.00 0.00 H new ATOM 0 HG SER A 30 12.730 -4.178 15.416 1.00 0.00 H new ATOM 437 N MET A 31 12.165 -3.161 10.506 1.00 0.00 N ATOM 438 CA MET A 31 12.130 -3.580 9.110 1.00 0.00 C ATOM 439 C MET A 31 13.047 -2.708 8.258 1.00 0.00 C ATOM 440 O MET A 31 13.833 -3.214 7.457 1.00 0.00 O ATOM 441 CB MET A 31 10.700 -3.515 8.571 1.00 0.00 C ATOM 442 CG MET A 31 9.743 -4.466 9.271 1.00 0.00 C ATOM 443 SD MET A 31 8.410 -5.027 8.194 1.00 0.00 S ATOM 444 CE MET A 31 7.423 -3.538 8.072 1.00 0.00 C ATOM 0 H MET A 31 11.247 -3.025 10.929 1.00 0.00 H new ATOM 0 HA MET A 31 12.484 -4.610 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.327 -2.496 8.675 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.711 -3.743 7.505 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.298 -5.330 9.636 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.316 -3.970 10.143 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.136 -3.376 7.033 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.527 -3.644 8.684 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.004 -2.686 8.425 1.00 0.00 H new ATOM 454 N HIS A 32 12.941 -1.395 8.436 1.00 0.00 N ATOM 455 CA HIS A 32 13.761 -0.452 7.683 1.00 0.00 C ATOM 456 C HIS A 32 15.241 -0.803 7.805 1.00 0.00 C ATOM 457 O HIS A 32 15.922 -1.025 6.803 1.00 0.00 O ATOM 458 CB HIS A 32 13.521 0.974 8.178 1.00 0.00 C ATOM 459 CG HIS A 32 12.071 1.334 8.286 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.401 2.034 9.231 1.00 0.00 N flip ATOM 461 CD2 HIS A 32 11.131 0.962 7.348 1.00 0.00 C flip ATOM 462 CE1 HIS A 32 10.082 2.074 8.850 1.00 0.00 C flip ATOM 463 NE2 HIS A 32 9.946 1.420 7.710 1.00 0.00 N flip ATOM 0 H HIS A 32 12.295 -0.960 9.095 1.00 0.00 H new ATOM 0 HA HIS A 32 13.475 -0.517 6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.991 1.095 9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.011 1.673 7.500 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.332 0.386 6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.286 2.561 9.394 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.074 1.291 7.197 1.00 0.00 H new ATOM 582 N CYS A 40 14.605 -8.068 -5.863 1.00 0.00 N ATOM 583 CA CYS A 40 14.398 -8.109 -7.305 1.00 0.00 C ATOM 584 C CYS A 40 15.653 -7.661 -8.048 1.00 0.00 C ATOM 585 O CYS A 40 15.988 -6.477 -8.066 1.00 0.00 O ATOM 586 CB CYS A 40 13.216 -7.221 -7.697 1.00 0.00 C ATOM 587 SG CYS A 40 12.938 -7.102 -9.494 1.00 0.00 S ATOM 0 HA CYS A 40 14.179 -9.139 -7.586 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.313 -7.608 -7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 40 13.380 -6.220 -7.299 1.00 0.00 H new ATOM 0 HG CYS A 40 11.786 -6.543 -9.719 1.00 0.00 H new ATOM 592 N GLY A 41 16.345 -8.617 -8.662 1.00 0.00 N ATOM 593 CA GLY A 41 17.555 -8.301 -9.398 1.00 0.00 C ATOM 594 C GLY A 41 17.267 -7.796 -10.797 1.00 0.00 C ATOM 595 O GLY A 41 18.061 -8.000 -11.715 1.00 0.00 O ATOM 0 H GLY A 41 16.089 -9.604 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.122 -7.547 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.183 -9.190 -9.458 1.00 0.00 H new ATOM 599 N VAL A 42 16.126 -7.134 -10.963 1.00 0.00 N ATOM 600 CA VAL A 42 15.734 -6.598 -12.261 1.00 0.00 C ATOM 601 C VAL A 42 15.555 -5.086 -12.200 1.00 0.00 C ATOM 602 O VAL A 42 16.013 -4.359 -13.082 1.00 0.00 O ATOM 603 CB VAL A 42 14.426 -7.239 -12.761 1.00 0.00 C ATOM 604 CG1 VAL A 42 14.060 -6.703 -14.137 1.00 0.00 C ATOM 605 CG2 VAL A 42 14.551 -8.755 -12.787 1.00 0.00 C ATOM 0 H VAL A 42 15.457 -6.956 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 42 16.537 -6.838 -12.958 1.00 0.00 H new ATOM 0 HB VAL A 42 13.626 -6.975 -12.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.133 -7.167 -14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.926 -5.623 -14.083 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.859 -6.934 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.618 -9.191 -13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.363 -9.042 -13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.762 -9.120 -11.782 1.00 0.00 H new ATOM 615 N CYS A 43 14.887 -4.616 -11.152 1.00 0.00 N ATOM 616 CA CYS A 43 14.647 -3.189 -10.974 1.00 0.00 C ATOM 617 C CYS A 43 15.376 -2.664 -9.740 1.00 0.00 C ATOM 618 O CYS A 43 15.871 -1.538 -9.731 1.00 0.00 O ATOM 619 CB CYS A 43 13.147 -2.915 -10.848 1.00 0.00 C ATOM 620 SG CYS A 43 12.428 -3.432 -9.255 1.00 0.00 S ATOM 0 H CYS A 43 14.502 -5.203 -10.412 1.00 0.00 H new ATOM 0 HA CYS A 43 15.033 -2.669 -11.851 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.971 -1.848 -10.985 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.625 -3.430 -11.654 1.00 0.00 H new ATOM 0 HG CYS A 43 12.491 -4.726 -9.150 1.00 0.00 H new ATOM 625 N GLY A 44 15.439 -3.491 -8.700 1.00 0.00 N ATOM 626 CA GLY A 44 16.110 -3.093 -7.476 1.00 0.00 C ATOM 627 C GLY A 44 15.160 -3.001 -6.299 1.00 0.00 C ATOM 628 O GLY A 44 15.358 -2.191 -5.393 1.00 0.00 O ATOM 0 H GLY A 44 15.038 -4.429 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.898 -3.810 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.592 -2.127 -7.627 1.00 0.00 H new ATOM 632 N LYS A 45 14.124 -3.833 -6.310 1.00 0.00 N ATOM 633 CA LYS A 45 13.139 -3.843 -5.235 1.00 0.00 C ATOM 634 C LYS A 45 13.462 -4.926 -4.211 1.00 0.00 C ATOM 635 O LYS A 45 14.439 -5.661 -4.356 1.00 0.00 O ATOM 636 CB LYS A 45 11.735 -4.067 -5.804 1.00 0.00 C ATOM 637 CG LYS A 45 11.002 -2.779 -6.137 1.00 0.00 C ATOM 638 CD LYS A 45 9.496 -2.957 -6.050 1.00 0.00 C ATOM 639 CE LYS A 45 8.762 -1.668 -6.387 1.00 0.00 C ATOM 640 NZ LYS A 45 7.295 -1.790 -6.162 1.00 0.00 N ATOM 0 H LYS A 45 13.945 -4.510 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 45 13.173 -2.874 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.810 -4.676 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.146 -4.635 -5.083 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.317 -1.992 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.274 -2.454 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.182 -3.745 -6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.224 -3.280 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.157 -0.855 -5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.949 -1.405 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.831 -0.891 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.914 -2.549 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.115 -2.016 -5.163 1.00 0.00 H new ATOM 654 N LYS A 46 12.635 -5.020 -3.175 1.00 0.00 N ATOM 655 CA LYS A 46 12.831 -6.015 -2.127 1.00 0.00 C ATOM 656 C LYS A 46 11.531 -6.273 -1.372 1.00 0.00 C ATOM 657 O LYS A 46 10.665 -5.402 -1.292 1.00 0.00 O ATOM 658 CB LYS A 46 13.916 -5.552 -1.152 1.00 0.00 C ATOM 659 CG LYS A 46 15.256 -5.285 -1.816 1.00 0.00 C ATOM 660 CD LYS A 46 16.331 -4.962 -0.792 1.00 0.00 C ATOM 661 CE LYS A 46 17.445 -4.123 -1.399 1.00 0.00 C ATOM 662 NZ LYS A 46 17.125 -2.669 -1.366 1.00 0.00 N ATOM 0 H LYS A 46 11.822 -4.419 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 46 13.148 -6.945 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.580 -4.643 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.047 -6.310 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.556 -6.157 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.157 -4.455 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.887 -4.426 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.747 -5.888 -0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.373 -4.303 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.614 -4.434 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.909 -2.131 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.254 -2.493 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.989 -2.366 -0.381 1.00 0.00 H new ATOM 676 N PHE A 47 11.402 -7.474 -0.818 1.00 0.00 N ATOM 677 CA PHE A 47 10.208 -7.845 -0.068 1.00 0.00 C ATOM 678 C PHE A 47 10.557 -8.789 1.079 1.00 0.00 C ATOM 679 O PHE A 47 11.463 -9.615 0.965 1.00 0.00 O ATOM 680 CB PHE A 47 9.184 -8.507 -0.994 1.00 0.00 C ATOM 681 CG PHE A 47 8.935 -7.737 -2.259 1.00 0.00 C ATOM 682 CD1 PHE A 47 9.932 -7.603 -3.212 1.00 0.00 C ATOM 683 CD2 PHE A 47 7.703 -7.148 -2.496 1.00 0.00 C ATOM 684 CE1 PHE A 47 9.705 -6.894 -4.376 1.00 0.00 C ATOM 685 CE2 PHE A 47 7.470 -6.439 -3.659 1.00 0.00 C ATOM 686 CZ PHE A 47 8.472 -6.313 -4.601 1.00 0.00 C ATOM 0 H PHE A 47 12.109 -8.207 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 47 9.776 -6.936 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.531 -9.508 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.242 -8.623 -0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.897 -8.058 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.916 -7.244 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.491 -6.794 -5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.506 -5.984 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.292 -5.761 -5.512 1.00 0.00 H new ATOM 696 N LYS A 48 9.833 -8.659 2.185 1.00 0.00 N ATOM 697 CA LYS A 48 10.064 -9.499 3.355 1.00 0.00 C ATOM 698 C LYS A 48 9.545 -10.914 3.119 1.00 0.00 C ATOM 699 O LYS A 48 10.200 -11.893 3.475 1.00 0.00 O ATOM 700 CB LYS A 48 9.385 -8.894 4.585 1.00 0.00 C ATOM 701 CG LYS A 48 9.854 -9.497 5.898 1.00 0.00 C ATOM 702 CD LYS A 48 11.258 -9.038 6.252 1.00 0.00 C ATOM 703 CE LYS A 48 11.248 -7.660 6.898 1.00 0.00 C ATOM 704 NZ LYS A 48 11.050 -7.740 8.372 1.00 0.00 N ATOM 0 H LYS A 48 9.081 -7.979 2.296 1.00 0.00 H new ATOM 0 HA LYS A 48 11.139 -9.549 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.572 -7.820 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.307 -9.029 4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.166 -9.215 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.832 -10.585 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.716 -9.756 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.872 -9.015 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.189 -7.152 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.454 -7.058 6.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.514 -6.929 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.033 -7.723 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.465 -8.624 8.731 1.00 0.00 H new ATOM 718 N MET A 49 8.364 -11.014 2.516 1.00 0.00 N ATOM 719 CA MET A 49 7.759 -12.310 2.231 1.00 0.00 C ATOM 720 C MET A 49 8.118 -12.779 0.825 1.00 0.00 C ATOM 721 O MET A 49 8.496 -11.979 -0.031 1.00 0.00 O ATOM 722 CB MET A 49 6.239 -12.232 2.384 1.00 0.00 C ATOM 723 CG MET A 49 5.791 -11.704 3.737 1.00 0.00 C ATOM 724 SD MET A 49 6.156 -12.845 5.084 1.00 0.00 S ATOM 725 CE MET A 49 5.946 -11.773 6.503 1.00 0.00 C ATOM 0 H MET A 49 7.808 -10.214 2.216 1.00 0.00 H new ATOM 0 HA MET A 49 8.151 -13.032 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.836 -11.590 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.815 -13.225 2.232 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.282 -10.750 3.931 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.719 -11.511 3.710 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.138 -12.336 7.416 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.646 -10.940 6.436 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.926 -11.390 6.521 1.00 0.00 H new ATOM 735 N LYS A 50 7.996 -14.082 0.592 1.00 0.00 N ATOM 736 CA LYS A 50 8.306 -14.659 -0.711 1.00 0.00 C ATOM 737 C LYS A 50 7.207 -14.344 -1.720 1.00 0.00 C ATOM 738 O LYS A 50 7.484 -13.919 -2.843 1.00 0.00 O ATOM 739 CB LYS A 50 8.484 -16.174 -0.591 1.00 0.00 C ATOM 740 CG LYS A 50 7.282 -16.882 0.009 1.00 0.00 C ATOM 741 CD LYS A 50 6.314 -17.346 -1.065 1.00 0.00 C ATOM 742 CE LYS A 50 6.634 -18.757 -1.534 1.00 0.00 C ATOM 743 NZ LYS A 50 5.717 -19.203 -2.619 1.00 0.00 N ATOM 0 H LYS A 50 7.684 -14.758 1.289 1.00 0.00 H new ATOM 0 HA LYS A 50 9.237 -14.217 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.682 -16.587 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.361 -16.381 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.618 -17.739 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.769 -16.210 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.296 -17.313 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.355 -16.662 -1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.664 -18.797 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.561 -19.445 -0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.968 -20.169 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.737 -19.190 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.805 -18.562 -3.433 1.00 0.00 H new ATOM 757 N HIS A 51 5.958 -14.553 -1.314 1.00 0.00 N ATOM 758 CA HIS A 51 4.817 -14.289 -2.183 1.00 0.00 C ATOM 759 C HIS A 51 4.641 -12.790 -2.408 1.00 0.00 C ATOM 760 O HIS A 51 3.861 -12.368 -3.263 1.00 0.00 O ATOM 761 CB HIS A 51 3.542 -14.879 -1.580 1.00 0.00 C ATOM 762 CG HIS A 51 3.548 -14.913 -0.083 1.00 0.00 C ATOM 763 ND1 HIS A 51 3.549 -15.957 0.779 1.00 0.00 N flip ATOM 764 CD2 HIS A 51 3.553 -13.775 0.696 1.00 0.00 C flip ATOM 765 CE1 HIS A 51 3.555 -15.436 2.050 1.00 0.00 C flip ATOM 766 NE2 HIS A 51 3.558 -14.118 1.972 1.00 0.00 N flip ATOM 0 H HIS A 51 5.711 -14.904 -0.389 1.00 0.00 H new ATOM 0 HA HIS A 51 5.008 -14.763 -3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.686 -14.295 -1.919 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.406 -15.892 -1.958 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.553 -12.762 0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 51 3.557 -16.011 2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 51 3.563 -13.474 2.763 1.00 0.00 H new ATOM 774 N HIS A 52 5.369 -11.991 -1.635 1.00 0.00 N ATOM 775 CA HIS A 52 5.293 -10.539 -1.750 1.00 0.00 C ATOM 776 C HIS A 52 6.148 -10.040 -2.911 1.00 0.00 C ATOM 777 O HIS A 52 5.911 -8.958 -3.451 1.00 0.00 O ATOM 778 CB HIS A 52 5.745 -9.878 -0.447 1.00 0.00 C ATOM 779 CG HIS A 52 4.632 -9.658 0.530 1.00 0.00 C ATOM 780 ND1 HIS A 52 4.844 -9.424 1.872 1.00 0.00 N ATOM 781 CD2 HIS A 52 3.290 -9.635 0.353 1.00 0.00 C ATOM 782 CE1 HIS A 52 3.681 -9.268 2.479 1.00 0.00 C ATOM 783 NE2 HIS A 52 2.722 -9.391 1.579 1.00 0.00 N ATOM 0 H HIS A 52 6.018 -12.324 -0.922 1.00 0.00 H new ATOM 0 HA HIS A 52 4.255 -10.269 -1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.510 -10.499 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.210 -8.919 -0.678 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.764 -9.781 -0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.539 -9.073 3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.722 -9.317 1.765 1.00 0.00 H new ATOM 791 N LEU A 53 7.144 -10.834 -3.289 1.00 0.00 N ATOM 792 CA LEU A 53 8.036 -10.473 -4.386 1.00 0.00 C ATOM 793 C LEU A 53 7.456 -10.913 -5.727 1.00 0.00 C ATOM 794 O LEU A 53 7.514 -10.176 -6.711 1.00 0.00 O ATOM 795 CB LEU A 53 9.412 -11.107 -4.179 1.00 0.00 C ATOM 796 CG LEU A 53 10.365 -11.046 -5.374 1.00 0.00 C ATOM 797 CD1 LEU A 53 10.834 -9.619 -5.611 1.00 0.00 C ATOM 798 CD2 LEU A 53 11.554 -11.971 -5.155 1.00 0.00 C ATOM 0 H LEU A 53 7.354 -11.732 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 53 8.140 -9.388 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.892 -10.617 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.271 -12.153 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 53 9.827 -11.381 -6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.511 -9.596 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.973 -8.982 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.355 -9.255 -4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.222 -11.915 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 53 12.092 -11.666 -4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.201 -12.995 -5.036 1.00 0.00 H new ATOM 810 N VAL A 54 6.896 -12.118 -5.756 1.00 0.00 N ATOM 811 CA VAL A 54 6.303 -12.655 -6.975 1.00 0.00 C ATOM 812 C VAL A 54 5.302 -11.675 -7.578 1.00 0.00 C ATOM 813 O VAL A 54 5.448 -11.248 -8.722 1.00 0.00 O ATOM 814 CB VAL A 54 5.594 -13.997 -6.710 1.00 0.00 C ATOM 815 CG1 VAL A 54 4.608 -14.309 -7.825 1.00 0.00 C ATOM 816 CG2 VAL A 54 6.613 -15.116 -6.560 1.00 0.00 C ATOM 0 H VAL A 54 6.841 -12.741 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 54 7.119 -12.816 -7.679 1.00 0.00 H new ATOM 0 HB VAL A 54 5.037 -13.916 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.117 -15.260 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.859 -13.519 -7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.140 -14.372 -8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.095 -16.057 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.199 -15.200 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.276 -14.895 -5.724 1.00 0.00 H new ATOM 826 N GLY A 55 4.285 -11.321 -6.797 1.00 0.00 N ATOM 827 CA GLY A 55 3.275 -10.393 -7.271 1.00 0.00 C ATOM 828 C GLY A 55 3.874 -9.204 -7.996 1.00 0.00 C ATOM 829 O GLY A 55 3.206 -8.560 -8.806 1.00 0.00 O ATOM 0 H GLY A 55 4.143 -11.660 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.591 -10.916 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.685 -10.039 -6.425 1.00 0.00 H new ATOM 833 N HIS A 56 5.138 -8.911 -7.705 1.00 0.00 N ATOM 834 CA HIS A 56 5.827 -7.790 -8.335 1.00 0.00 C ATOM 835 C HIS A 56 6.659 -8.263 -9.523 1.00 0.00 C ATOM 836 O HIS A 56 6.660 -7.635 -10.582 1.00 0.00 O ATOM 837 CB HIS A 56 6.723 -7.079 -7.320 1.00 0.00 C ATOM 838 CG HIS A 56 7.881 -6.362 -7.943 1.00 0.00 C ATOM 839 ND1 HIS A 56 7.783 -5.092 -8.472 1.00 0.00 N ATOM 840 CD2 HIS A 56 9.168 -6.742 -8.117 1.00 0.00 C ATOM 841 CE1 HIS A 56 8.960 -4.724 -8.947 1.00 0.00 C ATOM 842 NE2 HIS A 56 9.817 -5.707 -8.743 1.00 0.00 N ATOM 0 H HIS A 56 5.705 -9.434 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 56 5.074 -7.089 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.124 -6.364 -6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.101 -7.811 -6.606 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.935 -4.526 -8.493 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.604 -7.684 -7.819 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.183 -3.780 -9.421 1.00 0.00 H new ATOM 850 N MET A 57 7.367 -9.372 -9.340 1.00 0.00 N ATOM 851 CA MET A 57 8.203 -9.929 -10.397 1.00 0.00 C ATOM 852 C MET A 57 7.411 -10.085 -11.691 1.00 0.00 C ATOM 853 O MET A 57 7.976 -10.050 -12.785 1.00 0.00 O ATOM 854 CB MET A 57 8.772 -11.282 -9.967 1.00 0.00 C ATOM 855 CG MET A 57 9.678 -11.202 -8.749 1.00 0.00 C ATOM 856 SD MET A 57 11.420 -11.040 -9.188 1.00 0.00 S ATOM 857 CE MET A 57 11.356 -9.656 -10.323 1.00 0.00 C ATOM 0 H MET A 57 7.379 -9.903 -8.469 1.00 0.00 H new ATOM 0 HA MET A 57 9.026 -9.238 -10.577 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.947 -11.962 -9.752 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.331 -11.712 -10.798 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.381 -10.351 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.542 -12.096 -8.141 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.363 -9.422 -10.669 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.730 -9.914 -11.177 1.00 0.00 H new ATOM 0 HE3 MET A 57 10.937 -8.788 -9.815 1.00 0.00 H new ATOM 867 N LYS A 58 6.100 -10.257 -11.560 1.00 0.00 N ATOM 868 CA LYS A 58 5.230 -10.418 -12.719 1.00 0.00 C ATOM 869 C LYS A 58 5.327 -9.209 -13.644 1.00 0.00 C ATOM 870 O LYS A 58 4.830 -9.236 -14.770 1.00 0.00 O ATOM 871 CB LYS A 58 3.780 -10.615 -12.270 1.00 0.00 C ATOM 872 CG LYS A 58 3.546 -11.918 -11.525 1.00 0.00 C ATOM 873 CD LYS A 58 2.163 -11.959 -10.896 1.00 0.00 C ATOM 874 CE LYS A 58 1.735 -13.385 -10.586 1.00 0.00 C ATOM 875 NZ LYS A 58 0.254 -13.512 -10.495 1.00 0.00 N ATOM 0 H LYS A 58 5.617 -10.288 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 58 5.557 -11.301 -13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.491 -9.782 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.130 -10.584 -13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.659 -12.757 -12.212 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.303 -12.036 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.161 -11.370 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.441 -11.500 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.110 -14.053 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.185 -13.703 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.003 -14.499 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.102 -12.893 -9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.175 -13.233 -11.401 1.00 0.00 H new ATOM 889 N ILE A 59 5.970 -8.151 -13.162 1.00 0.00 N ATOM 890 CA ILE A 59 6.134 -6.934 -13.947 1.00 0.00 C ATOM 891 C ILE A 59 7.370 -7.015 -14.836 1.00 0.00 C ATOM 892 O ILE A 59 7.517 -6.246 -15.787 1.00 0.00 O ATOM 893 CB ILE A 59 6.246 -5.691 -13.044 1.00 0.00 C ATOM 894 CG1 ILE A 59 7.672 -5.548 -12.511 1.00 0.00 C ATOM 895 CG2 ILE A 59 5.251 -5.780 -11.896 1.00 0.00 C ATOM 896 CD1 ILE A 59 7.886 -4.300 -11.684 1.00 0.00 C ATOM 0 H ILE A 59 6.386 -8.112 -12.231 1.00 0.00 H new ATOM 0 HA ILE A 59 5.245 -6.840 -14.571 1.00 0.00 H new ATOM 0 HB ILE A 59 6.010 -4.807 -13.636 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.914 -6.421 -11.905 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.366 -5.541 -13.351 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.342 -4.895 -11.266 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.239 -5.839 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.459 -6.670 -11.302 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.919 -4.265 -11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.676 -3.420 -12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.217 -4.314 -10.824 1.00 0.00 H new ATOM 908 N HIS A 60 8.258 -7.953 -14.521 1.00 0.00 N ATOM 909 CA HIS A 60 9.482 -8.138 -15.293 1.00 0.00 C ATOM 910 C HIS A 60 9.423 -9.427 -16.106 1.00 0.00 C ATOM 911 O HIS A 60 9.938 -9.495 -17.222 1.00 0.00 O ATOM 912 CB HIS A 60 10.696 -8.162 -14.364 1.00 0.00 C ATOM 913 CG HIS A 60 10.865 -6.906 -13.566 1.00 0.00 C ATOM 914 ND1 HIS A 60 11.061 -5.668 -14.142 1.00 0.00 N ATOM 915 CD2 HIS A 60 10.864 -6.700 -12.228 1.00 0.00 C ATOM 916 CE1 HIS A 60 11.175 -4.756 -13.193 1.00 0.00 C ATOM 917 NE2 HIS A 60 11.059 -5.357 -12.022 1.00 0.00 N ATOM 0 H HIS A 60 8.153 -8.597 -13.737 1.00 0.00 H new ATOM 0 HA HIS A 60 9.578 -7.299 -15.983 1.00 0.00 H new ATOM 0 HB2 HIS A 60 10.604 -9.007 -13.681 1.00 0.00 H new ATOM 0 HB3 HIS A 60 11.594 -8.329 -14.958 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.734 -7.453 -11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.336 -3.699 -13.348 1.00 0.00 H new ATOM 0 HE2 HIS A 60 11.107 -4.898 -11.113 1.00 0.00 H new ATOM 1001 N TYR A 66 3.195 -4.988 -25.418 1.00 0.00 N ATOM 1002 CA TYR A 66 2.374 -3.788 -25.302 1.00 0.00 C ATOM 1003 C TYR A 66 2.759 -2.981 -24.066 1.00 0.00 C ATOM 1004 O TYR A 66 3.328 -3.517 -23.115 1.00 0.00 O ATOM 1005 CB TYR A 66 0.892 -4.163 -25.239 1.00 0.00 C ATOM 1006 CG TYR A 66 0.469 -5.141 -26.311 1.00 0.00 C ATOM 1007 CD1 TYR A 66 0.111 -4.701 -27.579 1.00 0.00 C ATOM 1008 CD2 TYR A 66 0.429 -6.507 -26.056 1.00 0.00 C ATOM 1009 CE1 TYR A 66 -0.277 -5.592 -28.562 1.00 0.00 C ATOM 1010 CE2 TYR A 66 0.043 -7.405 -27.033 1.00 0.00 C ATOM 1011 CZ TYR A 66 -0.309 -6.942 -28.284 1.00 0.00 C ATOM 1012 OH TYR A 66 -0.694 -7.833 -29.260 1.00 0.00 O ATOM 0 HA TYR A 66 2.549 -3.172 -26.184 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.676 -4.593 -24.261 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.292 -3.257 -25.328 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.136 -3.644 -27.801 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.704 -6.873 -25.078 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.554 -5.233 -29.542 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.017 -8.463 -26.818 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.661 -8.745 -28.902 1.00 0.00 H new ATOM 1022 N GLU A 67 2.444 -1.690 -24.088 1.00 0.00 N ATOM 1023 CA GLU A 67 2.757 -0.809 -22.970 1.00 0.00 C ATOM 1024 C GLU A 67 1.988 0.505 -23.080 1.00 0.00 C ATOM 1025 O GLU A 67 1.789 1.030 -24.176 1.00 0.00 O ATOM 1026 CB GLU A 67 4.260 -0.529 -22.917 1.00 0.00 C ATOM 1027 CG GLU A 67 4.643 0.557 -21.925 1.00 0.00 C ATOM 1028 CD GLU A 67 5.891 1.312 -22.340 1.00 0.00 C ATOM 1029 OE1 GLU A 67 5.834 2.041 -23.352 1.00 0.00 O ATOM 1030 OE2 GLU A 67 6.925 1.174 -21.653 1.00 0.00 O ATOM 0 H GLU A 67 1.972 -1.231 -24.868 1.00 0.00 H new ATOM 0 HA GLU A 67 2.455 -1.311 -22.051 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.783 -1.449 -22.656 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.602 -0.239 -23.910 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.815 1.259 -21.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.803 0.108 -20.945 1.00 0.00 H new ATOM 1037 N CYS A 68 1.558 1.030 -21.938 1.00 0.00 N ATOM 1038 CA CYS A 68 0.810 2.281 -21.904 1.00 0.00 C ATOM 1039 C CYS A 68 1.723 3.468 -22.197 1.00 0.00 C ATOM 1040 O CYS A 68 2.947 3.344 -22.173 1.00 0.00 O ATOM 1041 CB CYS A 68 0.140 2.462 -20.541 1.00 0.00 C ATOM 1042 SG CYS A 68 -1.370 3.480 -20.584 1.00 0.00 S ATOM 0 H CYS A 68 1.715 0.608 -21.023 1.00 0.00 H new ATOM 0 HA CYS A 68 0.041 2.237 -22.676 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.108 1.481 -20.137 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.854 2.918 -19.855 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.656 3.884 -19.382 1.00 0.00 H new ATOM 1047 N ASN A 69 1.118 4.619 -22.472 1.00 0.00 N ATOM 1048 CA ASN A 69 1.875 5.829 -22.770 1.00 0.00 C ATOM 1049 C ASN A 69 1.802 6.816 -21.609 1.00 0.00 C ATOM 1050 O ASN A 69 2.697 7.642 -21.426 1.00 0.00 O ATOM 1051 CB ASN A 69 1.346 6.486 -24.047 1.00 0.00 C ATOM 1052 CG ASN A 69 -0.136 6.240 -24.252 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -0.506 4.978 -24.437 1.00 0.00 O flip ATOM 1054 ND2 ASN A 69 -0.939 7.173 -24.244 1.00 0.00 N flip ATOM 0 H ASN A 69 0.105 4.739 -22.495 1.00 0.00 H new ATOM 0 HA ASN A 69 2.917 5.548 -22.920 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.531 7.559 -24.004 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.897 6.102 -24.905 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.610 8.128 -24.098 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.933 6.992 -24.383 1.00 0.00 H new ATOM 1061 N ILE A 70 0.732 6.723 -20.827 1.00 0.00 N ATOM 1062 CA ILE A 70 0.543 7.606 -19.683 1.00 0.00 C ATOM 1063 C ILE A 70 1.321 7.108 -18.470 1.00 0.00 C ATOM 1064 O ILE A 70 2.259 7.759 -18.009 1.00 0.00 O ATOM 1065 CB ILE A 70 -0.945 7.732 -19.309 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -1.759 8.204 -20.516 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -1.118 8.691 -18.140 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -2.271 7.071 -21.378 1.00 0.00 C ATOM 0 H ILE A 70 -0.017 6.045 -20.965 1.00 0.00 H new ATOM 0 HA ILE A 70 0.919 8.586 -19.975 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.313 6.751 -19.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.605 8.794 -20.165 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.141 8.863 -21.126 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.175 8.770 -17.887 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.566 8.317 -17.278 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.737 9.674 -18.416 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.839 7.478 -22.214 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.428 6.494 -21.758 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.915 6.424 -20.783 1.00 0.00 H new ATOM 1080 N CYS A 71 0.926 5.947 -17.957 1.00 0.00 N ATOM 1081 CA CYS A 71 1.585 5.359 -16.798 1.00 0.00 C ATOM 1082 C CYS A 71 2.777 4.506 -17.224 1.00 0.00 C ATOM 1083 O CYS A 71 3.602 4.116 -16.398 1.00 0.00 O ATOM 1084 CB CYS A 71 0.596 4.508 -15.999 1.00 0.00 C ATOM 1085 SG CYS A 71 -0.403 3.376 -17.018 1.00 0.00 S ATOM 0 H CYS A 71 0.152 5.395 -18.327 1.00 0.00 H new ATOM 0 HA CYS A 71 1.948 6.171 -16.168 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.148 3.925 -15.262 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -0.073 5.169 -15.447 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.484 3.983 -17.409 1.00 0.00 H new ATOM 1090 N ALA A 72 2.860 4.222 -18.520 1.00 0.00 N ATOM 1091 CA ALA A 72 3.951 3.418 -19.057 1.00 0.00 C ATOM 1092 C ALA A 72 3.892 1.989 -18.529 1.00 0.00 C ATOM 1093 O ALA A 72 4.923 1.346 -18.331 1.00 0.00 O ATOM 1094 CB ALA A 72 5.292 4.053 -18.717 1.00 0.00 C ATOM 0 H ALA A 72 2.185 4.537 -19.217 1.00 0.00 H new ATOM 0 HA ALA A 72 3.843 3.382 -20.141 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.098 3.442 -19.124 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.341 5.053 -19.149 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.399 4.120 -17.634 1.00 0.00 H new ATOM 1100 N LYS A 73 2.679 1.497 -18.302 1.00 0.00 N ATOM 1101 CA LYS A 73 2.484 0.143 -17.797 1.00 0.00 C ATOM 1102 C LYS A 73 2.813 -0.890 -18.870 1.00 0.00 C ATOM 1103 O LYS A 73 2.926 -0.559 -20.050 1.00 0.00 O ATOM 1104 CB LYS A 73 1.042 -0.043 -17.320 1.00 0.00 C ATOM 1105 CG LYS A 73 0.824 0.358 -15.871 1.00 0.00 C ATOM 1106 CD LYS A 73 -0.568 -0.019 -15.392 1.00 0.00 C ATOM 1107 CE LYS A 73 -0.922 0.691 -14.094 1.00 0.00 C ATOM 1108 NZ LYS A 73 -2.096 0.068 -13.423 1.00 0.00 N ATOM 0 H LYS A 73 1.815 2.016 -18.460 1.00 0.00 H new ATOM 0 HA LYS A 73 3.160 -0.005 -16.955 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.379 0.546 -17.955 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.759 -1.088 -17.446 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.570 -0.127 -15.242 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.968 1.433 -15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.299 0.236 -16.159 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.624 -1.098 -15.245 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.065 0.667 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.136 1.740 -14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.305 0.581 -12.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.921 0.113 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.883 -0.926 -13.203 1.00 0.00 H new ATOM 1122 N ARG A 74 2.963 -2.143 -18.452 1.00 0.00 N ATOM 1123 CA ARG A 74 3.278 -3.224 -19.378 1.00 0.00 C ATOM 1124 C ARG A 74 2.186 -4.289 -19.361 1.00 0.00 C ATOM 1125 O ARG A 74 1.659 -4.637 -18.304 1.00 0.00 O ATOM 1126 CB ARG A 74 4.626 -3.854 -19.020 1.00 0.00 C ATOM 1127 CG ARG A 74 5.789 -2.877 -19.076 1.00 0.00 C ATOM 1128 CD ARG A 74 7.070 -3.506 -18.550 1.00 0.00 C ATOM 1129 NE ARG A 74 8.260 -2.855 -19.090 1.00 0.00 N ATOM 1130 CZ ARG A 74 8.674 -3.003 -20.344 1.00 0.00 C ATOM 1131 NH1 ARG A 74 7.997 -3.775 -21.182 1.00 0.00 N ATOM 1132 NH2 ARG A 74 9.768 -2.377 -20.761 1.00 0.00 N ATOM 0 H ARG A 74 2.871 -2.434 -17.479 1.00 0.00 H new ATOM 0 HA ARG A 74 3.336 -2.804 -20.382 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.565 -4.276 -18.017 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.824 -4.681 -19.702 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.940 -2.547 -20.104 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.550 -1.990 -18.489 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.085 -3.443 -17.462 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.087 -4.565 -18.809 1.00 0.00 H new ATOM 0 HE ARG A 74 8.803 -2.254 -18.471 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.156 -4.257 -20.865 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.317 -3.887 -22.144 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.291 -1.782 -20.119 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.085 -2.491 -21.724 1.00 0.00 H new ATOM 1146 N PHE A 75 1.850 -4.803 -20.540 1.00 0.00 N ATOM 1147 CA PHE A 75 0.820 -5.828 -20.662 1.00 0.00 C ATOM 1148 C PHE A 75 1.309 -6.992 -21.518 1.00 0.00 C ATOM 1149 O PHE A 75 2.164 -6.821 -22.387 1.00 0.00 O ATOM 1150 CB PHE A 75 -0.452 -5.233 -21.269 1.00 0.00 C ATOM 1151 CG PHE A 75 -0.930 -3.996 -20.565 1.00 0.00 C ATOM 1152 CD1 PHE A 75 -0.215 -2.812 -20.652 1.00 0.00 C ATOM 1153 CD2 PHE A 75 -2.095 -4.016 -19.815 1.00 0.00 C ATOM 1154 CE1 PHE A 75 -0.653 -1.672 -20.006 1.00 0.00 C ATOM 1155 CE2 PHE A 75 -2.538 -2.879 -19.166 1.00 0.00 C ATOM 1156 CZ PHE A 75 -1.816 -1.706 -19.261 1.00 0.00 C ATOM 0 H PHE A 75 2.276 -4.526 -21.424 1.00 0.00 H new ATOM 0 HA PHE A 75 0.597 -6.203 -19.663 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.269 -4.997 -22.317 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.242 -5.984 -21.245 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.696 -2.780 -21.232 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.664 -4.931 -19.737 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.087 -0.755 -20.083 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.448 -2.908 -18.585 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.160 -0.817 -18.754 1.00 0.00 H new ATOM 1166 N MET A 76 0.762 -8.177 -21.264 1.00 0.00 N ATOM 1167 CA MET A 76 1.142 -9.370 -22.012 1.00 0.00 C ATOM 1168 C MET A 76 0.015 -9.811 -22.941 1.00 0.00 C ATOM 1169 O MET A 76 0.016 -10.935 -23.443 1.00 0.00 O ATOM 1170 CB MET A 76 1.501 -10.506 -21.053 1.00 0.00 C ATOM 1171 CG MET A 76 2.373 -11.580 -21.683 1.00 0.00 C ATOM 1172 SD MET A 76 2.463 -13.077 -20.681 1.00 0.00 S ATOM 1173 CE MET A 76 1.359 -14.158 -21.586 1.00 0.00 C ATOM 0 H MET A 76 0.055 -8.336 -20.546 1.00 0.00 H new ATOM 0 HA MET A 76 2.015 -9.126 -22.618 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.018 -10.091 -20.188 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.583 -10.964 -20.686 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.980 -11.830 -22.668 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.378 -11.186 -21.831 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.945 -14.905 -20.909 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.548 -13.571 -22.018 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.911 -14.657 -22.383 1.00 0.00 H new ATOM 1183 N TRP A 77 -0.943 -8.919 -23.166 1.00 0.00 N ATOM 1184 CA TRP A 77 -2.076 -9.218 -24.035 1.00 0.00 C ATOM 1185 C TRP A 77 -2.577 -7.956 -24.729 1.00 0.00 C ATOM 1186 O TRP A 77 -2.542 -6.867 -24.157 1.00 0.00 O ATOM 1187 CB TRP A 77 -3.209 -9.855 -23.229 1.00 0.00 C ATOM 1188 CG TRP A 77 -2.772 -11.045 -22.429 1.00 0.00 C ATOM 1189 CD1 TRP A 77 -2.207 -11.033 -21.186 1.00 0.00 C ATOM 1190 CD2 TRP A 77 -2.863 -12.420 -22.817 1.00 0.00 C ATOM 1191 NE1 TRP A 77 -1.941 -12.318 -20.778 1.00 0.00 N ATOM 1192 CE2 TRP A 77 -2.335 -13.187 -21.761 1.00 0.00 C ATOM 1193 CE3 TRP A 77 -3.342 -13.077 -23.954 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 -2.272 -14.577 -21.810 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 -3.278 -14.457 -24.001 1.00 0.00 C ATOM 1196 CH2 TRP A 77 -2.747 -15.195 -22.935 1.00 0.00 C ATOM 0 H TRP A 77 -0.958 -7.984 -22.759 1.00 0.00 H new ATOM 0 HA TRP A 77 -1.742 -9.922 -24.797 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -3.631 -9.109 -22.556 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.005 -10.156 -23.910 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.000 -10.144 -20.608 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -1.519 -12.582 -19.888 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -3.754 -12.517 -24.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -1.863 -15.147 -20.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -3.644 -14.976 -24.875 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.712 -16.272 -23.002 1.00 0.00 H new ATOM 1207 N ARG A 78 -3.042 -8.110 -25.964 1.00 0.00 N ATOM 1208 CA ARG A 78 -3.549 -6.982 -26.736 1.00 0.00 C ATOM 1209 C ARG A 78 -4.871 -6.482 -26.163 1.00 0.00 C ATOM 1210 O ARG A 78 -5.003 -5.309 -25.812 1.00 0.00 O ATOM 1211 CB ARG A 78 -3.734 -7.381 -28.201 1.00 0.00 C ATOM 1212 CG ARG A 78 -3.957 -6.200 -29.131 1.00 0.00 C ATOM 1213 CD ARG A 78 -4.161 -6.653 -30.569 1.00 0.00 C ATOM 1214 NE ARG A 78 -2.980 -7.326 -31.103 1.00 0.00 N ATOM 1215 CZ ARG A 78 -2.958 -7.953 -32.274 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -4.047 -7.991 -33.029 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -1.845 -8.542 -32.691 1.00 0.00 N ATOM 0 H ARG A 78 -3.078 -9.005 -26.452 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.818 -6.175 -26.676 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.854 -7.932 -28.532 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.583 -8.060 -28.279 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.828 -5.634 -28.800 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.101 -5.527 -29.078 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.016 -7.327 -30.619 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.399 -5.790 -31.191 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.125 -7.314 -30.546 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.904 -7.538 -32.711 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.028 -8.473 -33.928 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.005 -8.514 -32.112 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.829 -9.023 -33.590 1.00 0.00 H new ATOM 1231 N ASP A 79 -5.848 -7.378 -26.073 1.00 0.00 N ATOM 1232 CA ASP A 79 -7.160 -7.029 -25.542 1.00 0.00 C ATOM 1233 C ASP A 79 -7.029 -6.260 -24.231 1.00 0.00 C ATOM 1234 O ASP A 79 -7.637 -5.205 -24.055 1.00 0.00 O ATOM 1235 CB ASP A 79 -7.999 -8.289 -25.327 1.00 0.00 C ATOM 1236 CG ASP A 79 -7.840 -9.290 -26.454 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -6.726 -9.832 -26.614 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -8.829 -9.532 -27.176 1.00 0.00 O ATOM 0 H ASP A 79 -5.756 -8.352 -26.361 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.660 -6.389 -26.269 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.711 -8.757 -24.386 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.049 -8.012 -25.237 1.00 0.00 H new ATOM 1243 N SER A 80 -6.232 -6.798 -23.313 1.00 0.00 N ATOM 1244 CA SER A 80 -6.024 -6.165 -22.015 1.00 0.00 C ATOM 1245 C SER A 80 -5.316 -4.823 -22.172 1.00 0.00 C ATOM 1246 O SER A 80 -5.696 -3.830 -21.551 1.00 0.00 O ATOM 1247 CB SER A 80 -5.208 -7.082 -21.102 1.00 0.00 C ATOM 1248 OG SER A 80 -5.896 -8.296 -20.852 1.00 0.00 O ATOM 0 H SER A 80 -5.720 -7.670 -23.444 1.00 0.00 H new ATOM 0 HA SER A 80 -7.000 -5.990 -21.563 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.244 -7.295 -21.563 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.005 -6.574 -20.159 1.00 0.00 H new ATOM 0 HG SER A 80 -5.353 -8.865 -20.268 1.00 0.00 H new ATOM 1254 N PHE A 81 -4.282 -4.801 -23.007 1.00 0.00 N ATOM 1255 CA PHE A 81 -3.518 -3.582 -23.246 1.00 0.00 C ATOM 1256 C PHE A 81 -4.442 -2.426 -23.618 1.00 0.00 C ATOM 1257 O PHE A 81 -4.458 -1.390 -22.952 1.00 0.00 O ATOM 1258 CB PHE A 81 -2.492 -3.808 -24.359 1.00 0.00 C ATOM 1259 CG PHE A 81 -2.065 -2.542 -25.046 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -1.302 -1.599 -24.377 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -2.426 -2.296 -26.361 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -0.907 -0.433 -25.006 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -2.033 -1.133 -26.995 1.00 0.00 C ATOM 1264 CZ PHE A 81 -1.274 -0.200 -26.317 1.00 0.00 C ATOM 0 H PHE A 81 -3.954 -5.613 -23.529 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.994 -3.324 -22.325 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.614 -4.298 -23.939 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.914 -4.489 -25.098 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.012 -1.777 -23.352 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.021 -3.021 -26.896 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.313 0.294 -24.473 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.319 -0.954 -28.021 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.968 0.710 -26.811 1.00 0.00 H new ATOM 1274 N HIS A 82 -5.209 -2.609 -24.688 1.00 0.00 N ATOM 1275 CA HIS A 82 -6.136 -1.582 -25.149 1.00 0.00 C ATOM 1276 C HIS A 82 -7.241 -1.347 -24.124 1.00 0.00 C ATOM 1277 O HIS A 82 -7.619 -0.206 -23.855 1.00 0.00 O ATOM 1278 CB HIS A 82 -6.748 -1.983 -26.492 1.00 0.00 C ATOM 1279 CG HIS A 82 -5.749 -2.062 -27.606 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -5.275 -3.255 -28.108 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -5.136 -1.086 -28.315 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -4.412 -3.010 -29.078 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -4.310 -1.701 -29.224 1.00 0.00 N ATOM 0 H HIS A 82 -5.207 -3.459 -25.252 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.578 -0.654 -25.275 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.237 -2.951 -26.384 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.521 -1.263 -26.759 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.271 -0.022 -28.190 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.880 -3.753 -29.654 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.715 -1.225 -29.902 1.00 0.00 H new ATOM 1291 N ARG A 83 -7.755 -2.432 -23.555 1.00 0.00 N ATOM 1292 CA ARG A 83 -8.817 -2.343 -22.561 1.00 0.00 C ATOM 1293 C ARG A 83 -8.469 -1.322 -21.482 1.00 0.00 C ATOM 1294 O ARG A 83 -9.328 -0.568 -21.024 1.00 0.00 O ATOM 1295 CB ARG A 83 -9.063 -3.712 -21.922 1.00 0.00 C ATOM 1296 CG ARG A 83 -10.015 -3.669 -20.738 1.00 0.00 C ATOM 1297 CD ARG A 83 -10.184 -5.043 -20.109 1.00 0.00 C ATOM 1298 NE ARG A 83 -11.234 -5.819 -20.763 1.00 0.00 N ATOM 1299 CZ ARG A 83 -12.528 -5.671 -20.503 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -12.929 -4.780 -19.607 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -13.424 -6.414 -21.140 1.00 0.00 N ATOM 0 H ARG A 83 -7.453 -3.383 -23.766 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.726 -2.016 -23.066 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.465 -4.389 -22.676 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.110 -4.128 -21.596 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.638 -2.970 -19.992 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.986 -3.295 -21.064 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.241 -5.587 -20.168 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.422 -4.931 -19.051 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.958 -6.513 -21.458 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.243 -4.207 -19.116 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.923 -4.668 -19.409 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.119 -7.100 -21.831 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.417 -6.299 -20.939 1.00 0.00 H new ATOM 1315 N HIS A 84 -7.202 -1.303 -21.079 1.00 0.00 N ATOM 1316 CA HIS A 84 -6.739 -0.374 -20.054 1.00 0.00 C ATOM 1317 C HIS A 84 -6.368 0.972 -20.669 1.00 0.00 C ATOM 1318 O HIS A 84 -6.959 2.001 -20.338 1.00 0.00 O ATOM 1319 CB HIS A 84 -5.536 -0.958 -19.312 1.00 0.00 C ATOM 1320 CG HIS A 84 -4.659 0.080 -18.682 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -3.736 0.907 -19.226 1.00 0.00 N flip ATOM 1322 CD2 HIS A 84 -4.675 0.359 -17.332 1.00 0.00 C flip ATOM 1323 CE1 HIS A 84 -3.216 1.664 -18.205 1.00 0.00 C flip ATOM 1324 NE2 HIS A 84 -3.800 1.314 -17.073 1.00 0.00 N flip ATOM 0 H HIS A 84 -6.478 -1.920 -21.447 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.552 -0.218 -19.345 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -5.892 -1.639 -18.539 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.942 -1.549 -20.009 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.304 -0.127 -16.601 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.454 2.422 -18.310 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -3.608 1.714 -16.154 1.00 0.00 H new ATOM 1332 N VAL A 85 -5.385 0.958 -21.563 1.00 0.00 N ATOM 1333 CA VAL A 85 -4.936 2.178 -22.224 1.00 0.00 C ATOM 1334 C VAL A 85 -6.113 3.086 -22.560 1.00 0.00 C ATOM 1335 O VAL A 85 -6.098 4.280 -22.256 1.00 0.00 O ATOM 1336 CB VAL A 85 -4.159 1.862 -23.516 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -3.655 3.144 -24.163 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -3.006 0.913 -23.226 1.00 0.00 C ATOM 0 H VAL A 85 -4.884 0.116 -21.846 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.274 2.691 -21.527 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.836 1.372 -24.216 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.109 2.901 -25.074 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.502 3.785 -24.408 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.993 3.665 -23.471 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.468 0.701 -24.150 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.327 1.374 -22.509 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.395 -0.017 -22.811 1.00 0.00 H new ATOM 1348 N THR A 86 -7.134 2.514 -23.191 1.00 0.00 N ATOM 1349 CA THR A 86 -8.320 3.272 -23.569 1.00 0.00 C ATOM 1350 C THR A 86 -8.801 4.151 -22.420 1.00 0.00 C ATOM 1351 O THR A 86 -8.934 5.366 -22.569 1.00 0.00 O ATOM 1352 CB THR A 86 -9.467 2.340 -24.003 1.00 0.00 C ATOM 1353 OG1 THR A 86 -9.073 1.580 -25.151 1.00 0.00 O ATOM 1354 CG2 THR A 86 -10.721 3.139 -24.324 1.00 0.00 C ATOM 0 H THR A 86 -7.163 1.528 -23.451 1.00 0.00 H new ATOM 0 HA THR A 86 -8.036 3.904 -24.411 1.00 0.00 H new ATOM 0 HB THR A 86 -9.688 1.663 -23.178 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.313 1.007 -24.919 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.517 2.460 -24.628 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.035 3.694 -23.440 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.510 3.837 -25.134 1.00 0.00 H new ATOM 1362 N SER A 87 -9.061 3.529 -21.275 1.00 0.00 N ATOM 1363 CA SER A 87 -9.530 4.255 -20.100 1.00 0.00 C ATOM 1364 C SER A 87 -8.432 5.155 -19.543 1.00 0.00 C ATOM 1365 O SER A 87 -8.675 6.314 -19.205 1.00 0.00 O ATOM 1366 CB SER A 87 -9.999 3.276 -19.023 1.00 0.00 C ATOM 1367 OG SER A 87 -10.294 3.952 -17.813 1.00 0.00 O ATOM 0 H SER A 87 -8.955 2.524 -21.135 1.00 0.00 H new ATOM 0 HA SER A 87 -10.370 4.881 -20.402 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.884 2.744 -19.371 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.227 2.528 -18.846 1.00 0.00 H new ATOM 0 HG SER A 87 -10.593 3.304 -17.141 1.00 0.00 H new ATOM 1373 N CYS A 88 -7.222 4.614 -19.449 1.00 0.00 N ATOM 1374 CA CYS A 88 -6.085 5.365 -18.933 1.00 0.00 C ATOM 1375 C CYS A 88 -5.939 6.699 -19.660 1.00 0.00 C ATOM 1376 O CYS A 88 -5.500 7.692 -19.079 1.00 0.00 O ATOM 1377 CB CYS A 88 -4.799 4.549 -19.078 1.00 0.00 C ATOM 1378 SG CYS A 88 -3.411 5.163 -18.071 1.00 0.00 S ATOM 0 H CYS A 88 -7.004 3.656 -19.724 1.00 0.00 H new ATOM 0 HA CYS A 88 -6.263 5.565 -17.876 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -5.005 3.515 -18.802 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -4.500 4.546 -20.126 1.00 0.00 H new ATOM 0 HG CYS A 88 -3.504 6.454 -17.945 1.00 0.00 H new ATOM 1383 N THR A 89 -6.311 6.715 -20.936 1.00 0.00 N ATOM 1384 CA THR A 89 -6.221 7.925 -21.744 1.00 0.00 C ATOM 1385 C THR A 89 -7.380 8.870 -21.448 1.00 0.00 C ATOM 1386 O THR A 89 -7.177 10.056 -21.188 1.00 0.00 O ATOM 1387 CB THR A 89 -6.212 7.597 -23.249 1.00 0.00 C ATOM 1388 OG1 THR A 89 -5.408 6.437 -23.492 1.00 0.00 O ATOM 1389 CG2 THR A 89 -5.677 8.770 -24.055 1.00 0.00 C ATOM 0 H THR A 89 -6.678 5.903 -21.433 1.00 0.00 H new ATOM 0 HA THR A 89 -5.282 8.412 -21.481 1.00 0.00 H new ATOM 0 HB THR A 89 -7.237 7.400 -23.562 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.907 5.634 -23.235 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.680 8.515 -25.115 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.308 9.643 -23.890 1.00 0.00 H new ATOM 0 HG23 THR A 89 -4.658 8.994 -23.739 1.00 0.00 H new ATOM 1397 N LYS A 90 -8.597 8.338 -21.489 1.00 0.00 N ATOM 1398 CA LYS A 90 -9.790 9.133 -21.224 1.00 0.00 C ATOM 1399 C LYS A 90 -9.520 10.175 -20.142 1.00 0.00 C ATOM 1400 O LYS A 90 -9.884 11.342 -20.286 1.00 0.00 O ATOM 1401 CB LYS A 90 -10.947 8.228 -20.797 1.00 0.00 C ATOM 1402 CG LYS A 90 -11.726 7.646 -21.964 1.00 0.00 C ATOM 1403 CD LYS A 90 -13.023 7.003 -21.503 1.00 0.00 C ATOM 1404 CE LYS A 90 -14.136 8.030 -21.366 1.00 0.00 C ATOM 1405 NZ LYS A 90 -15.392 7.422 -20.845 1.00 0.00 N ATOM 0 H LYS A 90 -8.783 7.358 -21.704 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.062 9.651 -22.144 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.554 7.412 -20.190 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.628 8.797 -20.164 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.945 8.433 -22.685 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.114 6.905 -22.478 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.322 6.234 -22.215 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.864 6.507 -20.545 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.814 8.827 -20.696 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.329 8.487 -22.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -16.126 8.155 -20.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.714 6.678 -21.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.214 7.008 -19.908 1.00 0.00 H new ATOM 1419 N SER A 91 -8.878 9.745 -19.060 1.00 0.00 N ATOM 1420 CA SER A 91 -8.561 10.640 -17.953 1.00 0.00 C ATOM 1421 C SER A 91 -7.501 11.658 -18.364 1.00 0.00 C ATOM 1422 O SER A 91 -7.606 12.843 -18.045 1.00 0.00 O ATOM 1423 CB SER A 91 -8.074 9.839 -16.745 1.00 0.00 C ATOM 1424 OG SER A 91 -7.870 10.680 -15.623 1.00 0.00 O ATOM 0 H SER A 91 -8.567 8.783 -18.927 1.00 0.00 H new ATOM 0 HA SER A 91 -9.470 11.177 -17.681 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.804 9.068 -16.498 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.144 9.328 -16.994 1.00 0.00 H new ATOM 0 HG SER A 91 -7.560 10.143 -14.864 1.00 0.00 H new ATOM 1430 N TYR A 92 -6.481 11.187 -19.072 1.00 0.00 N ATOM 1431 CA TYR A 92 -5.400 12.054 -19.525 1.00 0.00 C ATOM 1432 C TYR A 92 -5.938 13.189 -20.390 1.00 0.00 C ATOM 1433 O TYR A 92 -5.589 14.353 -20.193 1.00 0.00 O ATOM 1434 CB TYR A 92 -4.365 11.246 -20.310 1.00 0.00 C ATOM 1435 CG TYR A 92 -3.204 12.074 -20.812 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -3.394 13.063 -21.769 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -1.918 11.868 -20.329 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -2.336 13.823 -22.231 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -0.854 12.623 -20.785 1.00 0.00 C ATOM 1440 CZ TYR A 92 -1.068 13.599 -21.735 1.00 0.00 C ATOM 1441 OH TYR A 92 -0.011 14.352 -22.192 1.00 0.00 O ATOM 0 H TYR A 92 -6.380 10.209 -19.345 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.923 12.487 -18.646 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.983 10.447 -19.675 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.856 10.771 -21.160 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.385 13.241 -22.159 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.747 11.105 -19.584 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.501 14.588 -22.976 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.140 12.449 -20.399 1.00 0.00 H new ATOM 0 HH TYR A 92 0.812 14.069 -21.741 1.00 0.00 H new ATOM 1451 N GLU A 93 -6.791 12.841 -21.349 1.00 0.00 N ATOM 1452 CA GLU A 93 -7.377 13.831 -22.245 1.00 0.00 C ATOM 1453 C GLU A 93 -8.367 14.721 -21.499 1.00 0.00 C ATOM 1454 O GLU A 93 -8.448 15.923 -21.750 1.00 0.00 O ATOM 1455 CB GLU A 93 -8.079 13.139 -23.416 1.00 0.00 C ATOM 1456 CG GLU A 93 -7.138 12.745 -24.542 1.00 0.00 C ATOM 1457 CD GLU A 93 -7.876 12.362 -25.811 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -8.693 13.176 -26.290 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -7.636 11.249 -26.324 1.00 0.00 O ATOM 0 H GLU A 93 -7.091 11.882 -21.525 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.572 14.456 -22.631 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.586 12.247 -23.049 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.848 13.803 -23.812 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.464 13.575 -24.754 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.520 11.907 -24.218 1.00 0.00 H new