USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=25 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 74 CYS SG : rot 130:sc= -0.18 USER MOD Set 1.2: A 79 HIS : no HE2:sc= 0.278 K(o=0.098,f=-2.5!) USER MOD Set 2.1: A 67 CYS SG : rot 141:sc= 2.02 USER MOD Set 2.2: A 70 CYS SG : rot -44:sc= 1.43 USER MOD Set 2.3: A 83 HIS : no HE2:sc= 0.662 K(o=4.3,f=-2.4) USER MOD Set 2.4: A 88 HIS : no HD1:sc= 0.164 K(o=4.3,f=-2.3) USER MOD Set 3.1: A 40 CYS SG : rot 124:sc= 2.31 USER MOD Set 3.2: A 43 CYS SG : rot -39:sc= 1.09 USER MOD Set 3.3: A 56 HIS : no HE2:sc= 0.402 K(o=4.2,f=-1.8) USER MOD Set 3.4: A 60 HIS : no HD1:sc= 0.41 K(o=4.2,f=-1.9) USER MOD Set 4.1: A 12 CYS SG : rot 110:sc= 1.9 USER MOD Set 4.2: A 15 CYS SG : rot -39:sc= 2.24 USER MOD Set 4.3: A 17 LYS NZ :NH3+ 169:sc= 1.39 (180deg=-0.242) USER MOD Set 4.4: A 28 HIS : no HD1:sc= 0.195 K(o=5.7,f=2.3) USER MOD Set 5.1: A 23 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.035) USER MOD Set 5.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -140:sc= 0.882 (180deg=0.178) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 126:sc= 0.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc=-0.00152 K(o=-0.0015,f=-0.8) USER MOD Single : A 54 ASN : amide:sc= 0.199 K(o=0.2,f=-1.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 0.058 10.869 -18.080 1.00 0.00 N ATOM 110 CA PHE A 10 1.042 10.168 -17.244 1.00 0.00 C ATOM 111 C PHE A 10 2.278 9.760 -18.064 1.00 0.00 C ATOM 112 O PHE A 10 2.146 9.317 -19.204 1.00 0.00 O ATOM 113 CB PHE A 10 0.350 8.967 -16.576 1.00 0.00 C ATOM 114 CG PHE A 10 -0.770 9.365 -15.629 1.00 0.00 C ATOM 115 CD1 PHE A 10 -2.078 9.559 -16.116 1.00 0.00 C ATOM 116 CD2 PHE A 10 -0.494 9.589 -14.266 1.00 0.00 C ATOM 117 CE1 PHE A 10 -3.101 9.982 -15.250 1.00 0.00 C ATOM 118 CE2 PHE A 10 -1.516 10.014 -13.399 1.00 0.00 C ATOM 119 CZ PHE A 10 -2.818 10.213 -13.892 1.00 0.00 C ATOM 0 HA PHE A 10 1.411 10.833 -16.463 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.053 8.313 -17.349 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.093 8.389 -16.026 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.295 9.382 -17.159 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.505 9.434 -13.886 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.102 10.129 -15.627 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.301 10.188 -12.355 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.602 10.544 -13.227 1.00 0.00 H new ATOM 129 N THR A 11 3.482 9.898 -17.500 1.00 0.00 N ATOM 130 CA THR A 11 4.752 9.753 -18.237 1.00 0.00 C ATOM 131 C THR A 11 5.779 8.928 -17.452 1.00 0.00 C ATOM 132 O THR A 11 5.974 9.147 -16.253 1.00 0.00 O ATOM 133 CB THR A 11 5.326 11.145 -18.567 1.00 0.00 C ATOM 134 OG1 THR A 11 4.362 11.930 -19.246 1.00 0.00 O ATOM 135 CG2 THR A 11 6.552 11.092 -19.474 1.00 0.00 C ATOM 0 H THR A 11 3.609 10.115 -16.512 1.00 0.00 H new ATOM 0 HA THR A 11 4.542 9.216 -19.162 1.00 0.00 H new ATOM 0 HB THR A 11 5.605 11.574 -17.605 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.741 12.811 -19.447 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.906 12.105 -19.667 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.341 10.519 -18.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.286 10.614 -20.417 1.00 0.00 H new ATOM 143 N CYS A 12 6.460 8.002 -18.136 1.00 0.00 N ATOM 144 CA CYS A 12 7.558 7.197 -17.602 1.00 0.00 C ATOM 145 C CYS A 12 8.829 8.045 -17.410 1.00 0.00 C ATOM 146 O CYS A 12 9.277 8.740 -18.325 1.00 0.00 O ATOM 147 CB CYS A 12 7.776 6.014 -18.553 1.00 0.00 C ATOM 148 SG CYS A 12 9.122 4.958 -17.946 1.00 0.00 S ATOM 0 H CYS A 12 6.252 7.787 -19.111 1.00 0.00 H new ATOM 0 HA CYS A 12 7.308 6.817 -16.611 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.858 5.432 -18.637 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.014 6.380 -19.552 1.00 0.00 H new ATOM 0 HG CYS A 12 8.633 3.829 -17.527 1.00 0.00 H new ATOM 153 N GLU A 13 9.432 7.967 -16.223 1.00 0.00 N ATOM 154 CA GLU A 13 10.688 8.657 -15.895 1.00 0.00 C ATOM 155 C GLU A 13 11.952 7.885 -16.330 1.00 0.00 C ATOM 156 O GLU A 13 13.063 8.411 -16.221 1.00 0.00 O ATOM 157 CB GLU A 13 10.711 9.025 -14.399 1.00 0.00 C ATOM 158 CG GLU A 13 10.795 7.816 -13.456 1.00 0.00 C ATOM 159 CD GLU A 13 10.784 8.274 -11.984 1.00 0.00 C ATOM 160 OE1 GLU A 13 11.861 8.628 -11.443 1.00 0.00 O ATOM 161 OE2 GLU A 13 9.696 8.298 -11.358 1.00 0.00 O ATOM 0 H GLU A 13 9.060 7.416 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 13 10.714 9.576 -16.481 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.562 9.679 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.812 9.595 -14.162 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.956 7.145 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.705 7.251 -13.660 1.00 0.00 H new ATOM 168 N TYR A 14 11.795 6.651 -16.826 1.00 0.00 N ATOM 169 CA TYR A 14 12.901 5.748 -17.176 1.00 0.00 C ATOM 170 C TYR A 14 13.126 5.601 -18.693 1.00 0.00 C ATOM 171 O TYR A 14 14.270 5.418 -19.117 1.00 0.00 O ATOM 172 CB TYR A 14 12.649 4.375 -16.542 1.00 0.00 C ATOM 173 CG TYR A 14 12.520 4.368 -15.029 1.00 0.00 C ATOM 174 CD1 TYR A 14 13.675 4.357 -14.224 1.00 0.00 C ATOM 175 CD2 TYR A 14 11.244 4.351 -14.428 1.00 0.00 C ATOM 176 CE1 TYR A 14 13.560 4.329 -12.820 1.00 0.00 C ATOM 177 CE2 TYR A 14 11.126 4.322 -13.026 1.00 0.00 C ATOM 178 CZ TYR A 14 12.283 4.311 -12.218 1.00 0.00 C ATOM 179 OH TYR A 14 12.158 4.282 -10.862 1.00 0.00 O ATOM 0 H TYR A 14 10.876 6.243 -16.999 1.00 0.00 H new ATOM 0 HA TYR A 14 13.814 6.194 -16.781 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.737 3.959 -16.969 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.465 3.709 -16.823 1.00 0.00 H new ATOM 0 HD1 TYR A 14 14.652 4.370 -14.684 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.357 4.360 -15.044 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.448 4.321 -12.205 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.148 4.308 -12.568 1.00 0.00 H new ATOM 0 HH TYR A 14 11.208 4.274 -10.621 1.00 0.00 H new ATOM 189 N CYS A 15 12.061 5.692 -19.506 1.00 0.00 N ATOM 190 CA CYS A 15 12.119 5.600 -20.976 1.00 0.00 C ATOM 191 C CYS A 15 11.310 6.687 -21.732 1.00 0.00 C ATOM 192 O CYS A 15 11.160 6.618 -22.955 1.00 0.00 O ATOM 193 CB CYS A 15 11.811 4.162 -21.423 1.00 0.00 C ATOM 194 SG CYS A 15 10.093 3.694 -21.129 1.00 0.00 S ATOM 0 H CYS A 15 11.115 5.835 -19.153 1.00 0.00 H new ATOM 0 HA CYS A 15 13.142 5.832 -21.271 1.00 0.00 H new ATOM 0 HB2 CYS A 15 12.034 4.060 -22.485 1.00 0.00 H new ATOM 0 HB3 CYS A 15 12.467 3.472 -20.892 1.00 0.00 H new ATOM 0 HG CYS A 15 9.700 4.179 -19.989 1.00 0.00 H new ATOM 199 N ASN A 16 10.824 7.713 -21.018 1.00 0.00 N ATOM 200 CA ASN A 16 10.119 8.897 -21.538 1.00 0.00 C ATOM 201 C ASN A 16 8.810 8.616 -22.319 1.00 0.00 C ATOM 202 O ASN A 16 8.281 9.511 -22.987 1.00 0.00 O ATOM 203 CB ASN A 16 11.111 9.819 -22.287 1.00 0.00 C ATOM 204 CG ASN A 16 12.269 10.335 -21.442 1.00 0.00 C ATOM 205 OD1 ASN A 16 12.307 10.242 -20.222 1.00 0.00 O ATOM 206 ND2 ASN A 16 13.261 10.926 -22.072 1.00 0.00 N ATOM 0 H ASN A 16 10.917 7.742 -20.003 1.00 0.00 H new ATOM 0 HA ASN A 16 9.741 9.432 -20.666 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.517 9.275 -23.140 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.562 10.672 -22.685 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.050 11.300 -21.544 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.242 11.010 -23.088 1.00 0.00 H new ATOM 213 N LYS A 17 8.258 7.399 -22.228 1.00 0.00 N ATOM 214 CA LYS A 17 6.960 7.019 -22.812 1.00 0.00 C ATOM 215 C LYS A 17 5.789 7.726 -22.130 1.00 0.00 C ATOM 216 O LYS A 17 5.834 8.016 -20.935 1.00 0.00 O ATOM 217 CB LYS A 17 6.766 5.501 -22.729 1.00 0.00 C ATOM 218 CG LYS A 17 7.632 4.748 -23.739 1.00 0.00 C ATOM 219 CD LYS A 17 7.435 3.240 -23.524 1.00 0.00 C ATOM 220 CE LYS A 17 8.401 2.365 -24.325 1.00 0.00 C ATOM 221 NZ LYS A 17 9.825 2.688 -24.035 1.00 0.00 N ATOM 0 H LYS A 17 8.711 6.630 -21.734 1.00 0.00 H new ATOM 0 HA LYS A 17 6.974 7.333 -23.856 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.008 5.161 -21.722 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.717 5.261 -22.903 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.354 5.025 -24.756 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.681 5.015 -23.611 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.553 3.016 -22.464 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.413 2.976 -23.794 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.214 1.316 -24.095 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.210 2.497 -25.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.438 1.958 -24.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.062 3.613 -24.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.971 2.719 -23.006 1.00 0.00 H new ATOM 235 N VAL A 18 4.728 7.961 -22.898 1.00 0.00 N ATOM 236 CA VAL A 18 3.527 8.710 -22.489 1.00 0.00 C ATOM 237 C VAL A 18 2.282 7.815 -22.544 1.00 0.00 C ATOM 238 O VAL A 18 2.092 7.056 -23.498 1.00 0.00 O ATOM 239 CB VAL A 18 3.360 9.978 -23.354 1.00 0.00 C ATOM 240 CG1 VAL A 18 2.158 10.814 -22.904 1.00 0.00 C ATOM 241 CG2 VAL A 18 4.593 10.889 -23.268 1.00 0.00 C ATOM 0 H VAL A 18 4.672 7.625 -23.860 1.00 0.00 H new ATOM 0 HA VAL A 18 3.651 9.030 -21.454 1.00 0.00 H new ATOM 0 HB VAL A 18 3.218 9.622 -24.374 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.073 11.698 -23.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.249 10.219 -22.988 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.296 11.121 -21.867 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.438 11.771 -23.890 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.747 11.197 -22.234 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.471 10.347 -23.619 1.00 0.00 H new ATOM 251 N PHE A 19 1.431 7.915 -21.520 1.00 0.00 N ATOM 252 CA PHE A 19 0.257 7.073 -21.275 1.00 0.00 C ATOM 253 C PHE A 19 -0.968 7.921 -20.881 1.00 0.00 C ATOM 254 O PHE A 19 -0.853 8.931 -20.181 1.00 0.00 O ATOM 255 CB PHE A 19 0.592 6.042 -20.179 1.00 0.00 C ATOM 256 CG PHE A 19 1.787 5.156 -20.493 1.00 0.00 C ATOM 257 CD1 PHE A 19 1.625 3.986 -21.261 1.00 0.00 C ATOM 258 CD2 PHE A 19 3.075 5.524 -20.058 1.00 0.00 C ATOM 259 CE1 PHE A 19 2.743 3.207 -21.614 1.00 0.00 C ATOM 260 CE2 PHE A 19 4.193 4.743 -20.410 1.00 0.00 C ATOM 261 CZ PHE A 19 4.031 3.591 -21.200 1.00 0.00 C ATOM 0 H PHE A 19 1.549 8.626 -20.798 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.000 6.548 -22.195 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.783 6.572 -19.246 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.280 5.409 -20.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.638 3.685 -21.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.206 6.408 -19.452 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.611 2.312 -22.204 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.178 5.030 -20.072 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.891 3.004 -21.487 1.00 0.00 H new ATOM 271 N LYS A 20 -2.164 7.495 -21.315 1.00 0.00 N ATOM 272 CA LYS A 20 -3.430 8.220 -21.088 1.00 0.00 C ATOM 273 C LYS A 20 -3.935 8.131 -19.639 1.00 0.00 C ATOM 274 O LYS A 20 -4.586 9.058 -19.158 1.00 0.00 O ATOM 275 CB LYS A 20 -4.474 7.700 -22.096 1.00 0.00 C ATOM 276 CG LYS A 20 -5.758 8.545 -22.116 1.00 0.00 C ATOM 277 CD LYS A 20 -6.692 8.108 -23.251 1.00 0.00 C ATOM 278 CE LYS A 20 -7.982 8.935 -23.216 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.911 8.552 -24.313 1.00 0.00 N ATOM 0 H LYS A 20 -2.284 6.628 -21.839 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.252 9.283 -21.250 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.035 7.691 -23.094 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.727 6.669 -21.850 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.274 8.450 -21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.502 9.598 -22.237 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.194 8.236 -24.212 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.927 7.048 -23.152 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.477 8.796 -22.255 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.738 9.994 -23.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.772 9.132 -24.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.447 8.708 -25.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.164 7.548 -24.219 1.00 0.00 H new ATOM 293 N PHE A 21 -3.615 7.038 -18.941 1.00 0.00 N ATOM 294 CA PHE A 21 -4.113 6.723 -17.598 1.00 0.00 C ATOM 295 C PHE A 21 -3.003 6.243 -16.656 1.00 0.00 C ATOM 296 O PHE A 21 -2.015 5.641 -17.089 1.00 0.00 O ATOM 297 CB PHE A 21 -5.211 5.654 -17.699 1.00 0.00 C ATOM 298 CG PHE A 21 -6.392 6.012 -18.582 1.00 0.00 C ATOM 299 CD1 PHE A 21 -7.326 6.977 -18.158 1.00 0.00 C ATOM 300 CD2 PHE A 21 -6.570 5.371 -19.823 1.00 0.00 C ATOM 301 CE1 PHE A 21 -8.432 7.294 -18.966 1.00 0.00 C ATOM 302 CE2 PHE A 21 -7.682 5.681 -20.627 1.00 0.00 C ATOM 303 CZ PHE A 21 -8.614 6.642 -20.199 1.00 0.00 C ATOM 0 H PHE A 21 -2.983 6.326 -19.306 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.516 7.642 -17.173 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.764 4.734 -18.075 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.581 5.442 -16.696 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.192 7.475 -17.209 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.850 4.639 -20.159 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.143 8.039 -18.640 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.820 5.180 -21.574 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.468 6.879 -20.816 1.00 0.00 H new ATOM 313 N LYS A 22 -3.202 6.444 -15.345 1.00 0.00 N ATOM 314 CA LYS A 22 -2.243 6.041 -14.304 1.00 0.00 C ATOM 315 C LYS A 22 -2.053 4.527 -14.240 1.00 0.00 C ATOM 316 O LYS A 22 -0.924 4.070 -14.094 1.00 0.00 O ATOM 317 CB LYS A 22 -2.692 6.614 -12.951 1.00 0.00 C ATOM 318 CG LYS A 22 -1.564 6.571 -11.907 1.00 0.00 C ATOM 319 CD LYS A 22 -1.943 7.405 -10.674 1.00 0.00 C ATOM 320 CE LYS A 22 -0.838 7.455 -9.609 1.00 0.00 C ATOM 321 NZ LYS A 22 0.379 8.184 -10.061 1.00 0.00 N ATOM 0 H LYS A 22 -4.039 6.894 -14.974 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.266 6.452 -14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.024 7.644 -13.085 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.548 6.049 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.373 5.539 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.641 6.954 -12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.179 8.421 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.848 6.991 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.229 7.935 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.562 6.437 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.081 8.198 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.783 7.704 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.125 9.160 -10.315 1.00 0.00 H new ATOM 335 N HIS A 23 -3.119 3.745 -14.429 1.00 0.00 N ATOM 336 CA HIS A 23 -3.042 2.279 -14.441 1.00 0.00 C ATOM 337 C HIS A 23 -2.198 1.736 -15.610 1.00 0.00 C ATOM 338 O HIS A 23 -1.497 0.736 -15.447 1.00 0.00 O ATOM 339 CB HIS A 23 -4.454 1.673 -14.402 1.00 0.00 C ATOM 340 CG HIS A 23 -5.382 2.082 -15.524 1.00 0.00 C ATOM 341 ND1 HIS A 23 -6.465 2.929 -15.414 1.00 0.00 N ATOM 342 CD2 HIS A 23 -5.372 1.612 -16.812 1.00 0.00 C ATOM 343 CE1 HIS A 23 -7.090 2.971 -16.603 1.00 0.00 C ATOM 344 NE2 HIS A 23 -6.457 2.184 -17.492 1.00 0.00 N ATOM 0 H HIS A 23 -4.060 4.109 -14.578 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.516 1.966 -13.539 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.362 0.587 -14.411 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.919 1.946 -13.455 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.654 0.922 -17.230 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.974 3.554 -16.815 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.715 2.033 -18.467 1.00 0.00 H new ATOM 352 N SER A 24 -2.188 2.422 -16.759 1.00 0.00 N ATOM 353 CA SER A 24 -1.335 2.069 -17.906 1.00 0.00 C ATOM 354 C SER A 24 0.147 2.318 -17.606 1.00 0.00 C ATOM 355 O SER A 24 0.979 1.454 -17.882 1.00 0.00 O ATOM 356 CB SER A 24 -1.755 2.847 -19.157 1.00 0.00 C ATOM 357 OG SER A 24 -3.115 2.587 -19.467 1.00 0.00 O ATOM 0 H SER A 24 -2.773 3.241 -16.923 1.00 0.00 H new ATOM 0 HA SER A 24 -1.468 1.003 -18.091 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.610 3.915 -18.995 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.123 2.564 -19.999 1.00 0.00 H new ATOM 0 HG SER A 24 -3.370 3.092 -20.267 1.00 0.00 H new ATOM 363 N LEU A 25 0.481 3.445 -16.960 1.00 0.00 N ATOM 364 CA LEU A 25 1.846 3.708 -16.487 1.00 0.00 C ATOM 365 C LEU A 25 2.262 2.730 -15.370 1.00 0.00 C ATOM 366 O LEU A 25 3.367 2.196 -15.409 1.00 0.00 O ATOM 367 CB LEU A 25 1.974 5.182 -16.054 1.00 0.00 C ATOM 368 CG LEU A 25 3.360 5.540 -15.472 1.00 0.00 C ATOM 369 CD1 LEU A 25 4.504 5.311 -16.462 1.00 0.00 C ATOM 370 CD2 LEU A 25 3.399 7.005 -15.053 1.00 0.00 C ATOM 0 H LEU A 25 -0.181 4.193 -16.753 1.00 0.00 H new ATOM 0 HA LEU A 25 2.540 3.536 -17.309 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.774 5.823 -16.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.209 5.400 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 25 3.501 4.878 -14.617 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.450 5.581 -15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.529 4.261 -16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.348 5.928 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.382 7.241 -14.645 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.205 7.637 -15.920 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.638 7.187 -14.294 1.00 0.00 H new ATOM 382 N GLN A 26 1.382 2.435 -14.411 1.00 0.00 N ATOM 383 CA GLN A 26 1.643 1.479 -13.325 1.00 0.00 C ATOM 384 C GLN A 26 1.927 0.059 -13.842 1.00 0.00 C ATOM 385 O GLN A 26 2.824 -0.612 -13.331 1.00 0.00 O ATOM 386 CB GLN A 26 0.444 1.458 -12.366 1.00 0.00 C ATOM 387 CG GLN A 26 0.415 2.691 -11.445 1.00 0.00 C ATOM 388 CD GLN A 26 -0.846 2.777 -10.581 1.00 0.00 C ATOM 389 OE1 GLN A 26 -1.922 2.303 -10.922 1.00 0.00 O ATOM 390 NE2 GLN A 26 -0.771 3.408 -9.428 1.00 0.00 N ATOM 0 H GLN A 26 0.455 2.857 -14.363 1.00 0.00 H new ATOM 0 HA GLN A 26 2.540 1.812 -12.803 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.480 1.416 -12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.482 0.554 -11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.290 2.671 -10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.491 3.592 -12.054 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.115 3.811 -9.124 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.599 3.494 -8.839 1.00 0.00 H new ATOM 399 N ALA A 27 1.217 -0.385 -14.881 1.00 0.00 N ATOM 400 CA ALA A 27 1.475 -1.667 -15.536 1.00 0.00 C ATOM 401 C ALA A 27 2.747 -1.650 -16.405 1.00 0.00 C ATOM 402 O ALA A 27 3.454 -2.656 -16.476 1.00 0.00 O ATOM 403 CB ALA A 27 0.233 -2.042 -16.344 1.00 0.00 C ATOM 0 H ALA A 27 0.444 0.137 -15.293 1.00 0.00 H new ATOM 0 HA ALA A 27 1.668 -2.424 -14.776 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.399 -2.996 -16.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.624 -2.126 -15.676 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.037 -1.271 -17.089 1.00 0.00 H new ATOM 409 N HIS A 28 3.084 -0.508 -17.014 1.00 0.00 N ATOM 410 CA HIS A 28 4.340 -0.321 -17.747 1.00 0.00 C ATOM 411 C HIS A 28 5.568 -0.336 -16.817 1.00 0.00 C ATOM 412 O HIS A 28 6.578 -0.965 -17.131 1.00 0.00 O ATOM 413 CB HIS A 28 4.265 0.987 -18.550 1.00 0.00 C ATOM 414 CG HIS A 28 5.592 1.360 -19.153 1.00 0.00 C ATOM 415 ND1 HIS A 28 6.230 0.694 -20.171 1.00 0.00 N ATOM 416 CD2 HIS A 28 6.450 2.318 -18.691 1.00 0.00 C ATOM 417 CE1 HIS A 28 7.448 1.226 -20.320 1.00 0.00 C ATOM 418 NE2 HIS A 28 7.642 2.234 -19.435 1.00 0.00 N ATOM 0 H HIS A 28 2.487 0.319 -17.012 1.00 0.00 H new ATOM 0 HA HIS A 28 4.467 -1.161 -18.430 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.524 0.883 -19.343 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.924 1.792 -17.899 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.249 3.018 -17.894 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.177 0.897 -21.046 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.477 2.811 -19.330 1.00 0.00 H new ATOM 426 N LEU A 29 5.480 0.303 -15.644 1.00 0.00 N ATOM 427 CA LEU A 29 6.568 0.411 -14.661 1.00 0.00 C ATOM 428 C LEU A 29 7.081 -0.943 -14.143 1.00 0.00 C ATOM 429 O LEU A 29 8.196 -0.999 -13.622 1.00 0.00 O ATOM 430 CB LEU A 29 6.108 1.310 -13.493 1.00 0.00 C ATOM 431 CG LEU A 29 6.172 2.820 -13.794 1.00 0.00 C ATOM 432 CD1 LEU A 29 5.405 3.600 -12.726 1.00 0.00 C ATOM 433 CD2 LEU A 29 7.613 3.338 -13.796 1.00 0.00 C ATOM 0 H LEU A 29 4.626 0.773 -15.343 1.00 0.00 H new ATOM 0 HA LEU A 29 7.419 0.860 -15.174 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.084 1.047 -13.229 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.727 1.098 -12.621 1.00 0.00 H new ATOM 0 HG LEU A 29 5.732 2.965 -14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.456 4.666 -12.947 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.363 3.280 -12.720 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.848 3.411 -11.748 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.615 4.406 -14.012 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.063 3.164 -12.819 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.188 2.812 -14.559 1.00 0.00 H new ATOM 445 N ARG A 30 6.341 -2.044 -14.337 1.00 0.00 N ATOM 446 CA ARG A 30 6.739 -3.413 -13.946 1.00 0.00 C ATOM 447 C ARG A 30 8.014 -3.923 -14.641 1.00 0.00 C ATOM 448 O ARG A 30 8.599 -4.900 -14.169 1.00 0.00 O ATOM 449 CB ARG A 30 5.571 -4.385 -14.198 1.00 0.00 C ATOM 450 CG ARG A 30 4.266 -3.963 -13.504 1.00 0.00 C ATOM 451 CD ARG A 30 3.134 -4.950 -13.807 1.00 0.00 C ATOM 452 NE ARG A 30 3.060 -6.029 -12.803 1.00 0.00 N ATOM 453 CZ ARG A 30 2.394 -7.161 -12.921 1.00 0.00 C ATOM 454 NH1 ARG A 30 1.846 -7.560 -14.031 1.00 0.00 N ATOM 455 NH2 ARG A 30 2.236 -7.940 -11.900 1.00 0.00 N ATOM 0 H ARG A 30 5.424 -2.011 -14.782 1.00 0.00 H new ATOM 0 HA ARG A 30 6.979 -3.369 -12.884 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.395 -4.460 -15.271 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.854 -5.379 -13.851 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.425 -3.907 -12.427 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.981 -2.965 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.185 -4.415 -13.836 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.286 -5.384 -14.795 1.00 0.00 H new ATOM 0 HE ARG A 30 3.574 -5.885 -11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.920 -6.986 -14.871 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.343 -8.447 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.628 -7.680 -10.995 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.719 -8.814 -12.000 1.00 0.00 H new ATOM 469 N ILE A 31 8.457 -3.283 -15.732 1.00 0.00 N ATOM 470 CA ILE A 31 9.727 -3.585 -16.417 1.00 0.00 C ATOM 471 C ILE A 31 10.931 -2.825 -15.831 1.00 0.00 C ATOM 472 O ILE A 31 12.064 -3.301 -15.917 1.00 0.00 O ATOM 473 CB ILE A 31 9.609 -3.368 -17.941 1.00 0.00 C ATOM 474 CG1 ILE A 31 9.703 -1.885 -18.372 1.00 0.00 C ATOM 475 CG2 ILE A 31 8.359 -4.077 -18.499 1.00 0.00 C ATOM 476 CD1 ILE A 31 9.611 -1.688 -19.887 1.00 0.00 C ATOM 0 H ILE A 31 7.935 -2.526 -16.173 1.00 0.00 H new ATOM 0 HA ILE A 31 9.923 -4.642 -16.238 1.00 0.00 H new ATOM 0 HB ILE A 31 10.485 -3.834 -18.392 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.903 -1.322 -17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.645 -1.469 -18.015 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.296 -3.911 -19.574 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.428 -5.147 -18.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.468 -3.676 -18.017 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.684 -0.626 -20.121 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.426 -2.223 -20.374 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.657 -2.074 -20.247 1.00 0.00 H new ATOM 570 N PRO A 37 10.282 -10.612 -8.005 1.00 0.00 N ATOM 571 CA PRO A 37 10.085 -11.668 -9.007 1.00 0.00 C ATOM 572 C PRO A 37 8.646 -12.189 -9.113 1.00 0.00 C ATOM 573 O PRO A 37 8.195 -12.535 -10.207 1.00 0.00 O ATOM 574 CB PRO A 37 11.026 -12.799 -8.584 1.00 0.00 C ATOM 575 CG PRO A 37 11.197 -12.608 -7.079 1.00 0.00 C ATOM 576 CD PRO A 37 11.146 -11.091 -6.936 1.00 0.00 C ATOM 0 HA PRO A 37 10.296 -11.267 -9.998 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.602 -13.776 -8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.982 -12.736 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.403 -13.097 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.141 -13.019 -6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.753 -10.805 -5.960 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.143 -10.658 -7.018 1.00 0.00 H new ATOM 584 N TYR A 38 7.923 -12.266 -7.994 1.00 0.00 N ATOM 585 CA TYR A 38 6.597 -12.888 -7.925 1.00 0.00 C ATOM 586 C TYR A 38 5.497 -11.890 -8.314 1.00 0.00 C ATOM 587 O TYR A 38 4.864 -11.254 -7.468 1.00 0.00 O ATOM 588 CB TYR A 38 6.389 -13.544 -6.553 1.00 0.00 C ATOM 589 CG TYR A 38 7.357 -14.677 -6.278 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.249 -15.884 -6.994 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.391 -14.508 -5.339 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.181 -16.918 -6.777 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.321 -15.540 -5.111 1.00 0.00 C ATOM 594 CZ TYR A 38 9.221 -16.747 -5.837 1.00 0.00 C ATOM 595 OH TYR A 38 10.113 -17.754 -5.630 1.00 0.00 O ATOM 0 H TYR A 38 8.244 -11.895 -7.100 1.00 0.00 H new ATOM 0 HA TYR A 38 6.532 -13.690 -8.661 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.496 -12.787 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.369 -13.923 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.451 -16.018 -7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.472 -13.581 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.100 -17.842 -7.330 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.108 -15.409 -4.383 1.00 0.00 H new ATOM 0 HH TYR A 38 10.766 -17.478 -4.954 1.00 0.00 H new ATOM 605 N LYS A 39 5.303 -11.728 -9.625 1.00 0.00 N ATOM 606 CA LYS A 39 4.356 -10.785 -10.242 1.00 0.00 C ATOM 607 C LYS A 39 2.962 -11.397 -10.415 1.00 0.00 C ATOM 608 O LYS A 39 2.824 -12.544 -10.846 1.00 0.00 O ATOM 609 CB LYS A 39 4.930 -10.282 -11.579 1.00 0.00 C ATOM 610 CG LYS A 39 6.132 -9.357 -11.340 1.00 0.00 C ATOM 611 CD LYS A 39 6.797 -8.898 -12.642 1.00 0.00 C ATOM 612 CE LYS A 39 8.136 -8.226 -12.314 1.00 0.00 C ATOM 613 NZ LYS A 39 8.820 -7.725 -13.533 1.00 0.00 N ATOM 0 H LYS A 39 5.820 -12.270 -10.317 1.00 0.00 H new ATOM 0 HA LYS A 39 4.229 -9.935 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.234 -11.130 -12.192 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.159 -9.748 -12.134 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.805 -8.483 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.867 -9.876 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.956 -9.750 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.147 -8.201 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.967 -7.397 -11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.783 -8.938 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.841 -7.909 -13.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.440 -8.212 -14.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.659 -6.702 -13.626 1.00 0.00 H new ATOM 627 N CYS A 40 1.938 -10.599 -10.118 1.00 0.00 N ATOM 628 CA CYS A 40 0.531 -10.943 -10.320 1.00 0.00 C ATOM 629 C CYS A 40 0.173 -11.002 -11.825 1.00 0.00 C ATOM 630 O CYS A 40 0.554 -10.091 -12.574 1.00 0.00 O ATOM 631 CB CYS A 40 -0.316 -9.918 -9.557 1.00 0.00 C ATOM 632 SG CYS A 40 -2.087 -10.285 -9.684 1.00 0.00 S ATOM 0 H CYS A 40 2.067 -9.669 -9.719 1.00 0.00 H new ATOM 0 HA CYS A 40 0.325 -11.941 -9.932 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.020 -9.910 -8.508 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.122 -8.920 -9.950 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.592 -10.404 -8.492 1.00 0.00 H new ATOM 637 N PRO A 41 -0.566 -12.028 -12.286 1.00 0.00 N ATOM 638 CA PRO A 41 -1.086 -12.097 -13.649 1.00 0.00 C ATOM 639 C PRO A 41 -2.352 -11.241 -13.862 1.00 0.00 C ATOM 640 O PRO A 41 -2.794 -11.096 -15.005 1.00 0.00 O ATOM 641 CB PRO A 41 -1.355 -13.590 -13.876 1.00 0.00 C ATOM 642 CG PRO A 41 -1.744 -14.100 -12.489 1.00 0.00 C ATOM 643 CD PRO A 41 -0.905 -13.236 -11.547 1.00 0.00 C ATOM 0 HA PRO A 41 -0.377 -11.685 -14.367 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.154 -13.748 -14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.473 -14.103 -14.259 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.811 -13.980 -12.301 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.517 -15.160 -12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.463 -12.994 -10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.005 -13.765 -11.234 1.00 0.00 H new ATOM 651 N GLN A 42 -2.950 -10.689 -12.795 1.00 0.00 N ATOM 652 CA GLN A 42 -4.256 -10.008 -12.829 1.00 0.00 C ATOM 653 C GLN A 42 -4.210 -8.502 -12.494 1.00 0.00 C ATOM 654 O GLN A 42 -5.118 -7.781 -12.917 1.00 0.00 O ATOM 655 CB GLN A 42 -5.242 -10.757 -11.912 1.00 0.00 C ATOM 656 CG GLN A 42 -5.612 -12.135 -12.485 1.00 0.00 C ATOM 657 CD GLN A 42 -6.576 -12.894 -11.579 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.785 -12.895 -11.772 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.086 -13.573 -10.563 1.00 0.00 N ATOM 0 H GLN A 42 -2.532 -10.703 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.598 -10.042 -13.863 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.799 -10.880 -10.924 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.146 -10.161 -11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.064 -12.008 -13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.706 -12.724 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.081 -13.580 -10.392 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.712 -14.092 -9.947 1.00 0.00 H new ATOM 668 N CYS A 43 -3.181 -8.003 -11.793 1.00 0.00 N ATOM 669 CA CYS A 43 -2.959 -6.568 -11.569 1.00 0.00 C ATOM 670 C CYS A 43 -1.456 -6.215 -11.561 1.00 0.00 C ATOM 671 O CYS A 43 -0.610 -7.043 -11.903 1.00 0.00 O ATOM 672 CB CYS A 43 -3.702 -6.145 -10.291 1.00 0.00 C ATOM 673 SG CYS A 43 -2.963 -6.907 -8.831 1.00 0.00 S ATOM 0 H CYS A 43 -2.471 -8.593 -11.360 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.371 -5.994 -12.399 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.675 -5.060 -10.192 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.751 -6.432 -10.364 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.614 -8.128 -9.108 1.00 0.00 H new ATOM 678 N SER A 44 -1.113 -4.975 -11.199 1.00 0.00 N ATOM 679 CA SER A 44 0.266 -4.460 -11.175 1.00 0.00 C ATOM 680 C SER A 44 1.143 -5.026 -10.042 1.00 0.00 C ATOM 681 O SER A 44 2.364 -4.852 -10.075 1.00 0.00 O ATOM 682 CB SER A 44 0.246 -2.927 -11.117 1.00 0.00 C ATOM 683 OG SER A 44 -0.479 -2.482 -9.980 1.00 0.00 O ATOM 0 H SER A 44 -1.801 -4.282 -10.907 1.00 0.00 H new ATOM 0 HA SER A 44 0.730 -4.804 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.266 -2.545 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.208 -2.529 -12.024 1.00 0.00 H new ATOM 0 HG SER A 44 -0.481 -1.502 -9.956 1.00 0.00 H new ATOM 689 N TYR A 45 0.553 -5.728 -9.069 1.00 0.00 N ATOM 690 CA TYR A 45 1.203 -6.287 -7.877 1.00 0.00 C ATOM 691 C TYR A 45 2.461 -7.119 -8.177 1.00 0.00 C ATOM 692 O TYR A 45 2.506 -7.901 -9.132 1.00 0.00 O ATOM 693 CB TYR A 45 0.164 -7.142 -7.132 1.00 0.00 C ATOM 694 CG TYR A 45 0.679 -7.902 -5.913 1.00 0.00 C ATOM 695 CD1 TYR A 45 1.356 -9.133 -6.059 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.471 -7.374 -4.622 1.00 0.00 C ATOM 697 CE1 TYR A 45 1.820 -9.832 -4.929 1.00 0.00 C ATOM 698 CE2 TYR A 45 0.913 -8.082 -3.486 1.00 0.00 C ATOM 699 CZ TYR A 45 1.580 -9.317 -3.638 1.00 0.00 C ATOM 700 OH TYR A 45 1.985 -10.009 -2.540 1.00 0.00 O ATOM 0 H TYR A 45 -0.446 -5.933 -9.092 1.00 0.00 H new ATOM 0 HA TYR A 45 1.553 -5.453 -7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.652 -6.493 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.257 -7.862 -7.834 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.519 -9.541 -7.046 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.029 -6.424 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.358 -10.760 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.741 -7.679 -2.499 1.00 0.00 H new ATOM 0 HH TYR A 45 1.742 -9.511 -1.732 1.00 0.00 H new ATOM 710 N ALA A 46 3.468 -6.985 -7.317 1.00 0.00 N ATOM 711 CA ALA A 46 4.653 -7.840 -7.285 1.00 0.00 C ATOM 712 C ALA A 46 5.185 -8.026 -5.850 1.00 0.00 C ATOM 713 O ALA A 46 5.135 -7.091 -5.044 1.00 0.00 O ATOM 714 CB ALA A 46 5.720 -7.247 -8.213 1.00 0.00 C ATOM 0 H ALA A 46 3.483 -6.257 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 46 4.384 -8.835 -7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.609 -7.878 -8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.330 -7.196 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.981 -6.244 -7.874 1.00 0.00 H new ATOM 720 N SER A 47 5.740 -9.202 -5.540 1.00 0.00 N ATOM 721 CA SER A 47 6.352 -9.522 -4.240 1.00 0.00 C ATOM 722 C SER A 47 7.682 -10.287 -4.355 1.00 0.00 C ATOM 723 O SER A 47 8.068 -10.763 -5.424 1.00 0.00 O ATOM 724 CB SER A 47 5.349 -10.290 -3.368 1.00 0.00 C ATOM 725 OG SER A 47 5.107 -11.584 -3.888 1.00 0.00 O ATOM 0 H SER A 47 5.779 -9.979 -6.200 1.00 0.00 H new ATOM 0 HA SER A 47 6.601 -8.573 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.733 -10.369 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.412 -9.736 -3.313 1.00 0.00 H new ATOM 0 HG SER A 47 5.272 -12.253 -3.191 1.00 0.00 H new ATOM 731 N ALA A 48 8.396 -10.396 -3.230 1.00 0.00 N ATOM 732 CA ALA A 48 9.633 -11.174 -3.086 1.00 0.00 C ATOM 733 C ALA A 48 9.422 -12.563 -2.442 1.00 0.00 C ATOM 734 O ALA A 48 10.387 -13.308 -2.253 1.00 0.00 O ATOM 735 CB ALA A 48 10.646 -10.310 -2.321 1.00 0.00 C ATOM 0 H ALA A 48 8.121 -9.930 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 48 10.020 -11.409 -4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.577 -10.863 -2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.839 -9.394 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.242 -10.058 -1.340 1.00 0.00 H new ATOM 741 N ILE A 49 8.172 -12.925 -2.111 1.00 0.00 N ATOM 742 CA ILE A 49 7.792 -14.192 -1.461 1.00 0.00 C ATOM 743 C ILE A 49 6.576 -14.800 -2.177 1.00 0.00 C ATOM 744 O ILE A 49 5.513 -14.174 -2.259 1.00 0.00 O ATOM 745 CB ILE A 49 7.521 -13.975 0.052 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.744 -13.331 0.751 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.152 -15.313 0.726 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.594 -13.130 2.264 1.00 0.00 C ATOM 0 H ILE A 49 7.369 -12.323 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 49 8.619 -14.897 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 49 6.680 -13.289 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.619 -13.955 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.940 -12.364 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.965 -15.147 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.256 -15.721 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.975 -16.018 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.500 -12.674 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.743 -12.479 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.432 -14.095 2.745 1.00 0.00 H new ATOM 760 N LYS A 50 6.706 -16.051 -2.634 1.00 0.00 N ATOM 761 CA LYS A 50 5.661 -16.781 -3.383 1.00 0.00 C ATOM 762 C LYS A 50 4.400 -17.029 -2.549 1.00 0.00 C ATOM 763 O LYS A 50 3.287 -16.901 -3.054 1.00 0.00 O ATOM 764 CB LYS A 50 6.257 -18.102 -3.904 1.00 0.00 C ATOM 765 CG LYS A 50 5.389 -18.738 -5.000 1.00 0.00 C ATOM 766 CD LYS A 50 6.035 -20.024 -5.534 1.00 0.00 C ATOM 767 CE LYS A 50 5.162 -20.634 -6.639 1.00 0.00 C ATOM 768 NZ LYS A 50 5.755 -21.888 -7.174 1.00 0.00 N ATOM 0 H LYS A 50 7.554 -16.600 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 50 5.342 -16.162 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.257 -17.918 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.364 -18.802 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.399 -18.962 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.251 -18.030 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.029 -19.806 -5.924 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.161 -20.741 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.167 -20.840 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.042 -19.914 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.139 -22.273 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.694 -21.686 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.847 -22.584 -6.406 1.00 0.00 H new ATOM 782 N ALA A 51 4.566 -17.304 -1.255 1.00 0.00 N ATOM 783 CA ALA A 51 3.465 -17.460 -0.301 1.00 0.00 C ATOM 784 C ALA A 51 2.638 -16.168 -0.113 1.00 0.00 C ATOM 785 O ALA A 51 1.440 -16.244 0.161 1.00 0.00 O ATOM 786 CB ALA A 51 4.045 -17.955 1.029 1.00 0.00 C ATOM 0 H ALA A 51 5.486 -17.427 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 51 2.763 -18.192 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.240 -18.078 1.754 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.543 -18.912 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.764 -17.228 1.405 1.00 0.00 H new ATOM 792 N ASN A 52 3.233 -14.986 -0.319 1.00 0.00 N ATOM 793 CA ASN A 52 2.509 -13.713 -0.273 1.00 0.00 C ATOM 794 C ASN A 52 1.689 -13.496 -1.563 1.00 0.00 C ATOM 795 O ASN A 52 0.516 -13.129 -1.487 1.00 0.00 O ATOM 796 CB ASN A 52 3.511 -12.579 0.023 1.00 0.00 C ATOM 797 CG ASN A 52 2.858 -11.280 0.480 1.00 0.00 C ATOM 798 OD1 ASN A 52 1.678 -11.200 0.797 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.627 -10.219 0.579 1.00 0.00 N ATOM 0 H ASN A 52 4.228 -14.887 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 52 1.776 -13.722 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.207 -12.914 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.098 -12.383 -0.874 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.240 -9.338 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.611 -10.276 0.317 1.00 0.00 H new ATOM 806 N LEU A 53 2.241 -13.835 -2.739 1.00 0.00 N ATOM 807 CA LEU A 53 1.485 -13.860 -4.003 1.00 0.00 C ATOM 808 C LEU A 53 0.314 -14.863 -3.947 1.00 0.00 C ATOM 809 O LEU A 53 -0.784 -14.554 -4.404 1.00 0.00 O ATOM 810 CB LEU A 53 2.446 -14.154 -5.173 1.00 0.00 C ATOM 811 CG LEU A 53 1.751 -14.264 -6.548 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.056 -12.967 -6.964 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.765 -14.617 -7.632 1.00 0.00 C ATOM 0 H LEU A 53 3.221 -14.099 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 53 1.036 -12.880 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.197 -13.365 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.975 -15.085 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 53 1.000 -15.047 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.585 -13.103 -7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.296 -12.708 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.791 -12.164 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.258 -14.691 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.529 -13.841 -7.682 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.234 -15.572 -7.395 1.00 0.00 H new ATOM 825 N ASN A 54 0.509 -16.031 -3.331 1.00 0.00 N ATOM 826 CA ASN A 54 -0.530 -17.050 -3.132 1.00 0.00 C ATOM 827 C ASN A 54 -1.739 -16.530 -2.319 1.00 0.00 C ATOM 828 O ASN A 54 -2.882 -16.893 -2.605 1.00 0.00 O ATOM 829 CB ASN A 54 0.155 -18.263 -2.474 1.00 0.00 C ATOM 830 CG ASN A 54 -0.781 -19.429 -2.217 1.00 0.00 C ATOM 831 OD1 ASN A 54 -1.343 -20.024 -3.125 1.00 0.00 O ATOM 832 ND2 ASN A 54 -0.993 -19.789 -0.970 1.00 0.00 N ATOM 0 H ASN A 54 1.414 -16.303 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.964 -17.334 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.972 -18.599 -3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.598 -17.950 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.625 -20.563 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.526 -19.295 -0.210 1.00 0.00 H new ATOM 839 N VAL A 55 -1.514 -15.639 -1.345 1.00 0.00 N ATOM 840 CA VAL A 55 -2.581 -14.958 -0.580 1.00 0.00 C ATOM 841 C VAL A 55 -3.132 -13.734 -1.325 1.00 0.00 C ATOM 842 O VAL A 55 -4.328 -13.463 -1.261 1.00 0.00 O ATOM 843 CB VAL A 55 -2.084 -14.594 0.833 1.00 0.00 C ATOM 844 CG1 VAL A 55 -3.116 -13.817 1.660 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.733 -15.862 1.622 1.00 0.00 C ATOM 0 H VAL A 55 -0.575 -15.363 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.413 -15.654 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.211 -13.960 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.701 -13.593 2.643 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.364 -12.886 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.017 -14.419 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.384 -15.586 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.618 -16.493 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.948 -16.409 1.101 1.00 0.00 H new ATOM 855 N HIS A 56 -2.307 -13.030 -2.102 1.00 0.00 N ATOM 856 CA HIS A 56 -2.761 -11.933 -2.966 1.00 0.00 C ATOM 857 C HIS A 56 -3.738 -12.406 -4.061 1.00 0.00 C ATOM 858 O HIS A 56 -4.758 -11.762 -4.305 1.00 0.00 O ATOM 859 CB HIS A 56 -1.540 -11.230 -3.577 1.00 0.00 C ATOM 860 CG HIS A 56 -1.946 -10.196 -4.588 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.532 -8.986 -4.309 1.00 0.00 N ATOM 862 CD2 HIS A 56 -1.986 -10.369 -5.943 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.928 -8.436 -5.464 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.627 -9.249 -6.507 1.00 0.00 N ATOM 0 H HIS A 56 -1.303 -13.203 -2.152 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.318 -11.227 -2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.958 -10.757 -2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.893 -11.969 -4.051 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.646 -8.577 -3.382 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.595 -11.216 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.419 -7.478 -5.553 1.00 0.00 H new ATOM 872 N LEU A 57 -3.488 -13.559 -4.689 1.00 0.00 N ATOM 873 CA LEU A 57 -4.388 -14.158 -5.687 1.00 0.00 C ATOM 874 C LEU A 57 -5.772 -14.498 -5.107 1.00 0.00 C ATOM 875 O LEU A 57 -6.781 -14.364 -5.798 1.00 0.00 O ATOM 876 CB LEU A 57 -3.721 -15.415 -6.254 1.00 0.00 C ATOM 877 CG LEU A 57 -2.531 -15.130 -7.187 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.728 -16.415 -7.359 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.987 -14.649 -8.564 1.00 0.00 C ATOM 0 H LEU A 57 -2.647 -14.111 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.558 -13.426 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.379 -16.036 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.466 -15.994 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.928 -14.342 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.880 -16.229 -8.018 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.365 -16.750 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.364 -17.186 -7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.115 -14.460 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.609 -15.414 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.563 -13.730 -8.456 1.00 0.00 H new ATOM 891 N ARG A 58 -5.840 -14.844 -3.816 1.00 0.00 N ATOM 892 CA ARG A 58 -7.104 -15.047 -3.073 1.00 0.00 C ATOM 893 C ARG A 58 -7.929 -13.761 -2.872 1.00 0.00 C ATOM 894 O ARG A 58 -9.100 -13.858 -2.501 1.00 0.00 O ATOM 895 CB ARG A 58 -6.817 -15.761 -1.739 1.00 0.00 C ATOM 896 CG ARG A 58 -6.385 -17.219 -1.951 1.00 0.00 C ATOM 897 CD ARG A 58 -5.748 -17.803 -0.682 1.00 0.00 C ATOM 898 NE ARG A 58 -5.645 -19.277 -0.746 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.862 -19.999 -1.531 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.034 -19.458 -2.376 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.890 -21.299 -1.477 1.00 0.00 N ATOM 0 H ARG A 58 -5.010 -14.995 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.736 -15.683 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.035 -15.225 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.709 -15.734 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.250 -17.819 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.674 -17.274 -2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.755 -17.375 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.341 -17.518 0.187 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.249 -19.798 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.972 -18.443 -2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.447 -20.049 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.519 -21.769 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.283 -21.848 -2.086 1.00 0.00 H new ATOM 915 N LYS A 59 -7.375 -12.575 -3.168 1.00 0.00 N ATOM 916 CA LYS A 59 -8.109 -11.289 -3.225 1.00 0.00 C ATOM 917 C LYS A 59 -8.781 -11.031 -4.584 1.00 0.00 C ATOM 918 O LYS A 59 -9.685 -10.201 -4.667 1.00 0.00 O ATOM 919 CB LYS A 59 -7.190 -10.111 -2.846 1.00 0.00 C ATOM 920 CG LYS A 59 -6.466 -10.310 -1.505 1.00 0.00 C ATOM 921 CD LYS A 59 -5.736 -9.035 -1.061 1.00 0.00 C ATOM 922 CE LYS A 59 -5.044 -9.276 0.288 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.386 -8.043 0.797 1.00 0.00 N ATOM 0 H LYS A 59 -6.382 -12.475 -3.380 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.911 -11.368 -2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.449 -9.970 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.783 -9.198 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.187 -10.601 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.750 -11.127 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.000 -8.746 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.444 -8.211 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.777 -9.624 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.301 -10.067 0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.929 -8.245 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.669 -7.725 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.099 -7.296 0.924 1.00 0.00 H new ATOM 937 N HIS A 60 -8.382 -11.747 -5.642 1.00 0.00 N ATOM 938 CA HIS A 60 -8.943 -11.645 -6.998 1.00 0.00 C ATOM 939 C HIS A 60 -10.232 -12.482 -7.170 1.00 0.00 C ATOM 940 O HIS A 60 -10.352 -13.318 -8.070 1.00 0.00 O ATOM 941 CB HIS A 60 -7.846 -11.944 -8.037 1.00 0.00 C ATOM 942 CG HIS A 60 -6.873 -10.808 -8.226 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.172 -9.591 -8.789 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.537 -10.797 -7.921 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.059 -8.847 -8.816 1.00 0.00 C ATOM 946 NE2 HIS A 60 -5.012 -9.540 -8.306 1.00 0.00 N ATOM 0 H HIS A 60 -7.634 -12.438 -5.577 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.274 -10.621 -7.171 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.298 -12.834 -7.729 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.315 -12.173 -8.994 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.982 -11.605 -7.467 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.003 -7.836 -9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.047 -9.222 -8.218 1.00 0.00 H new ATOM 1012 N PHE A 65 -13.542 -13.602 -16.710 1.00 0.00 N ATOM 1013 CA PHE A 65 -12.990 -14.693 -17.512 1.00 0.00 C ATOM 1014 C PHE A 65 -13.406 -14.494 -18.982 1.00 0.00 C ATOM 1015 O PHE A 65 -14.482 -13.948 -19.247 1.00 0.00 O ATOM 1016 CB PHE A 65 -13.496 -16.035 -16.953 1.00 0.00 C ATOM 1017 CG PHE A 65 -13.247 -16.237 -15.469 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -12.031 -16.786 -15.016 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -14.222 -15.841 -14.532 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -11.791 -16.928 -13.638 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -13.982 -15.986 -13.155 1.00 0.00 C ATOM 1022 CZ PHE A 65 -12.763 -16.524 -12.706 1.00 0.00 C ATOM 0 HA PHE A 65 -11.901 -14.697 -17.465 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -14.567 -16.111 -17.142 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -13.017 -16.846 -17.502 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -11.282 -17.098 -15.729 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -15.158 -15.424 -14.874 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.857 -17.349 -13.294 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -14.734 -15.684 -12.441 1.00 0.00 H new ATOM 0 HZ PHE A 65 -12.574 -16.627 -11.648 1.00 0.00 H new ATOM 1032 N ALA A 66 -12.574 -14.920 -19.938 1.00 0.00 N ATOM 1033 CA ALA A 66 -12.748 -14.644 -21.369 1.00 0.00 C ATOM 1034 C ALA A 66 -12.812 -15.917 -22.235 1.00 0.00 C ATOM 1035 O ALA A 66 -12.079 -16.881 -21.996 1.00 0.00 O ATOM 1036 CB ALA A 66 -11.618 -13.714 -21.825 1.00 0.00 C ATOM 0 H ALA A 66 -11.744 -15.477 -19.735 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.715 -14.160 -21.506 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.731 -13.498 -22.887 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.662 -12.784 -21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.657 -14.198 -21.654 1.00 0.00 H new ATOM 1042 N CYS A 67 -13.667 -15.893 -23.262 1.00 0.00 N ATOM 1043 CA CYS A 67 -13.858 -16.979 -24.222 1.00 0.00 C ATOM 1044 C CYS A 67 -12.600 -17.225 -25.079 1.00 0.00 C ATOM 1045 O CYS A 67 -11.862 -16.301 -25.437 1.00 0.00 O ATOM 1046 CB CYS A 67 -15.108 -16.641 -25.046 1.00 0.00 C ATOM 1047 SG CYS A 67 -15.585 -18.009 -26.144 1.00 0.00 S ATOM 0 H CYS A 67 -14.264 -15.089 -23.452 1.00 0.00 H new ATOM 0 HA CYS A 67 -14.014 -17.927 -23.707 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.934 -16.410 -24.374 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -14.920 -15.747 -25.640 1.00 0.00 H new ATOM 0 HG CYS A 67 -16.880 -18.115 -26.168 1.00 0.00 H new ATOM 1052 N ASP A 68 -12.358 -18.496 -25.407 1.00 0.00 N ATOM 1053 CA ASP A 68 -11.257 -18.936 -26.274 1.00 0.00 C ATOM 1054 C ASP A 68 -11.637 -18.915 -27.772 1.00 0.00 C ATOM 1055 O ASP A 68 -10.772 -19.072 -28.637 1.00 0.00 O ATOM 1056 CB ASP A 68 -10.800 -20.329 -25.816 1.00 0.00 C ATOM 1057 CG ASP A 68 -9.457 -20.750 -26.443 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -8.445 -20.038 -26.240 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -9.391 -21.821 -27.094 1.00 0.00 O ATOM 0 H ASP A 68 -12.934 -19.268 -25.071 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.430 -18.232 -26.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.708 -20.338 -24.730 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.564 -21.062 -26.077 1.00 0.00 H new ATOM 1064 N TYR A 69 -12.925 -18.709 -28.081 1.00 0.00 N ATOM 1065 CA TYR A 69 -13.502 -18.865 -29.423 1.00 0.00 C ATOM 1066 C TYR A 69 -14.192 -17.597 -29.970 1.00 0.00 C ATOM 1067 O TYR A 69 -14.410 -17.505 -31.182 1.00 0.00 O ATOM 1068 CB TYR A 69 -14.485 -20.046 -29.387 1.00 0.00 C ATOM 1069 CG TYR A 69 -13.907 -21.357 -28.878 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -13.085 -22.134 -29.716 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -14.190 -21.792 -27.567 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -12.541 -23.345 -29.246 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -13.656 -23.007 -27.098 1.00 0.00 C ATOM 1074 CZ TYR A 69 -12.826 -23.785 -27.934 1.00 0.00 C ATOM 1075 OH TYR A 69 -12.313 -24.962 -27.479 1.00 0.00 O ATOM 0 H TYR A 69 -13.613 -18.421 -27.385 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.680 -19.054 -30.113 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -15.332 -19.773 -28.758 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -14.873 -20.205 -30.393 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.871 -21.801 -30.721 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -14.816 -21.193 -26.923 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.906 -23.937 -29.888 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.882 -23.345 -26.097 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.607 -25.112 -26.556 1.00 0.00 H new ATOM 1085 N CYS A 70 -14.520 -16.623 -29.111 1.00 0.00 N ATOM 1086 CA CYS A 70 -15.048 -15.302 -29.484 1.00 0.00 C ATOM 1087 C CYS A 70 -14.616 -14.196 -28.486 1.00 0.00 C ATOM 1088 O CYS A 70 -13.775 -14.416 -27.609 1.00 0.00 O ATOM 1089 CB CYS A 70 -16.574 -15.388 -29.663 1.00 0.00 C ATOM 1090 SG CYS A 70 -17.420 -15.584 -28.076 1.00 0.00 S ATOM 0 H CYS A 70 -14.422 -16.736 -28.102 1.00 0.00 H new ATOM 0 HA CYS A 70 -14.615 -15.007 -30.440 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -16.934 -14.487 -30.159 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -16.818 -16.229 -30.312 1.00 0.00 H new ATOM 0 HG CYS A 70 -16.785 -16.455 -27.350 1.00 0.00 H new ATOM 1095 N SER A 71 -15.184 -12.994 -28.627 1.00 0.00 N ATOM 1096 CA SER A 71 -14.894 -11.811 -27.793 1.00 0.00 C ATOM 1097 C SER A 71 -15.644 -11.776 -26.444 1.00 0.00 C ATOM 1098 O SER A 71 -15.500 -10.808 -25.691 1.00 0.00 O ATOM 1099 CB SER A 71 -15.189 -10.528 -28.586 1.00 0.00 C ATOM 1100 OG SER A 71 -14.476 -10.512 -29.816 1.00 0.00 O ATOM 0 H SER A 71 -15.882 -12.806 -29.347 1.00 0.00 H new ATOM 0 HA SER A 71 -13.835 -11.879 -27.542 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.259 -10.455 -28.781 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.914 -9.657 -27.991 1.00 0.00 H new ATOM 0 HG SER A 71 -14.682 -9.687 -30.303 1.00 0.00 H new ATOM 1106 N PHE A 72 -16.457 -12.791 -26.126 1.00 0.00 N ATOM 1107 CA PHE A 72 -17.281 -12.846 -24.908 1.00 0.00 C ATOM 1108 C PHE A 72 -16.459 -12.859 -23.604 1.00 0.00 C ATOM 1109 O PHE A 72 -15.412 -13.507 -23.514 1.00 0.00 O ATOM 1110 CB PHE A 72 -18.192 -14.078 -24.989 1.00 0.00 C ATOM 1111 CG PHE A 72 -19.098 -14.310 -23.794 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -20.345 -13.663 -23.709 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -18.700 -15.192 -22.771 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -21.193 -13.905 -22.612 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -19.548 -15.436 -21.675 1.00 0.00 C ATOM 1116 CZ PHE A 72 -20.796 -14.794 -21.597 1.00 0.00 C ATOM 0 H PHE A 72 -16.564 -13.614 -26.719 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.872 -11.931 -24.867 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -18.813 -13.989 -25.880 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -17.567 -14.961 -25.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.652 -12.980 -24.487 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.740 -15.683 -22.828 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -22.150 -13.408 -22.550 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -19.240 -16.116 -20.894 1.00 0.00 H new ATOM 0 HZ PHE A 72 -21.450 -14.983 -20.758 1.00 0.00 H new ATOM 1126 N THR A 73 -16.981 -12.195 -22.566 1.00 0.00 N ATOM 1127 CA THR A 73 -16.462 -12.235 -21.186 1.00 0.00 C ATOM 1128 C THR A 73 -17.594 -12.342 -20.157 1.00 0.00 C ATOM 1129 O THR A 73 -18.692 -11.822 -20.372 1.00 0.00 O ATOM 1130 CB THR A 73 -15.582 -11.019 -20.841 1.00 0.00 C ATOM 1131 OG1 THR A 73 -16.292 -9.802 -20.958 1.00 0.00 O ATOM 1132 CG2 THR A 73 -14.339 -10.887 -21.717 1.00 0.00 C ATOM 0 H THR A 73 -17.801 -11.596 -22.662 1.00 0.00 H new ATOM 0 HA THR A 73 -15.841 -13.129 -21.137 1.00 0.00 H new ATOM 0 HB THR A 73 -15.279 -11.204 -19.810 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.700 -9.055 -20.729 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.771 -10.008 -21.413 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.719 -11.776 -21.605 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.638 -10.783 -22.760 1.00 0.00 H new ATOM 1140 N CYS A 74 -17.334 -13.004 -19.022 1.00 0.00 N ATOM 1141 CA CYS A 74 -18.270 -13.117 -17.897 1.00 0.00 C ATOM 1142 C CYS A 74 -17.542 -13.134 -16.539 1.00 0.00 C ATOM 1143 O CYS A 74 -16.366 -13.487 -16.467 1.00 0.00 O ATOM 1144 CB CYS A 74 -19.139 -14.367 -18.104 1.00 0.00 C ATOM 1145 SG CYS A 74 -20.579 -14.313 -16.997 1.00 0.00 S ATOM 0 H CYS A 74 -16.450 -13.485 -18.857 1.00 0.00 H new ATOM 0 HA CYS A 74 -18.912 -12.236 -17.874 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -19.469 -14.423 -19.141 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -18.552 -15.264 -17.908 1.00 0.00 H new ATOM 0 HG CYS A 74 -21.661 -14.537 -17.681 1.00 0.00 H new ATOM 1151 N LEU A 75 -18.239 -12.785 -15.452 1.00 0.00 N ATOM 1152 CA LEU A 75 -17.702 -12.727 -14.081 1.00 0.00 C ATOM 1153 C LEU A 75 -17.687 -14.104 -13.365 1.00 0.00 C ATOM 1154 O LEU A 75 -17.424 -14.187 -12.164 1.00 0.00 O ATOM 1155 CB LEU A 75 -18.445 -11.640 -13.269 1.00 0.00 C ATOM 1156 CG LEU A 75 -18.051 -10.183 -13.595 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -18.576 -9.682 -14.944 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -18.621 -9.252 -12.523 1.00 0.00 C ATOM 0 H LEU A 75 -19.224 -12.526 -15.500 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.651 -12.445 -14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -19.516 -11.755 -13.436 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.267 -11.818 -12.208 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.962 -10.174 -13.630 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.257 -8.651 -15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.180 -10.308 -15.744 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.665 -9.729 -14.951 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.344 -8.223 -12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.707 -9.340 -12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.218 -9.529 -11.549 1.00 0.00 H new ATOM 1170 N SER A 76 -17.969 -15.191 -14.091 1.00 0.00 N ATOM 1171 CA SER A 76 -17.921 -16.577 -13.603 1.00 0.00 C ATOM 1172 C SER A 76 -17.357 -17.523 -14.666 1.00 0.00 C ATOM 1173 O SER A 76 -17.808 -17.519 -15.815 1.00 0.00 O ATOM 1174 CB SER A 76 -19.321 -17.034 -13.179 1.00 0.00 C ATOM 1175 OG SER A 76 -19.345 -18.435 -12.943 1.00 0.00 O ATOM 0 H SER A 76 -18.247 -15.130 -15.070 1.00 0.00 H new ATOM 0 HA SER A 76 -17.256 -16.608 -12.740 1.00 0.00 H new ATOM 0 HB2 SER A 76 -19.624 -16.503 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.042 -16.779 -13.955 1.00 0.00 H new ATOM 0 HG SER A 76 -20.247 -18.706 -12.672 1.00 0.00 H new ATOM 1181 N LYS A 77 -16.409 -18.382 -14.269 1.00 0.00 N ATOM 1182 CA LYS A 77 -15.868 -19.450 -15.127 1.00 0.00 C ATOM 1183 C LYS A 77 -16.894 -20.556 -15.416 1.00 0.00 C ATOM 1184 O LYS A 77 -16.841 -21.177 -16.475 1.00 0.00 O ATOM 1185 CB LYS A 77 -14.547 -19.995 -14.552 1.00 0.00 C ATOM 1186 CG LYS A 77 -14.694 -20.775 -13.230 1.00 0.00 C ATOM 1187 CD LYS A 77 -13.370 -21.411 -12.774 1.00 0.00 C ATOM 1188 CE LYS A 77 -12.289 -20.405 -12.348 1.00 0.00 C ATOM 1189 NZ LYS A 77 -12.584 -19.788 -11.027 1.00 0.00 N ATOM 0 H LYS A 77 -15.992 -18.357 -13.338 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.643 -19.009 -16.098 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -14.085 -20.647 -15.293 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -13.864 -19.160 -14.392 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.057 -20.102 -12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.445 -21.555 -13.353 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.573 -22.081 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.978 -22.023 -13.586 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.323 -20.909 -12.304 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.206 -19.622 -13.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.829 -19.117 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.493 -19.284 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.637 -20.531 -10.301 1.00 0.00 H new ATOM 1203 N GLY A 78 -17.869 -20.758 -14.522 1.00 0.00 N ATOM 1204 CA GLY A 78 -18.997 -21.673 -14.733 1.00 0.00 C ATOM 1205 C GLY A 78 -19.969 -21.150 -15.793 1.00 0.00 C ATOM 1206 O GLY A 78 -20.340 -21.880 -16.710 1.00 0.00 O ATOM 0 H GLY A 78 -17.897 -20.284 -13.619 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.620 -22.649 -15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -19.529 -21.816 -13.792 1.00 0.00 H new ATOM 1210 N HIS A 79 -20.303 -19.857 -15.741 1.00 0.00 N ATOM 1211 CA HIS A 79 -21.114 -19.204 -16.776 1.00 0.00 C ATOM 1212 C HIS A 79 -20.370 -19.144 -18.125 1.00 0.00 C ATOM 1213 O HIS A 79 -20.985 -19.311 -19.180 1.00 0.00 O ATOM 1214 CB HIS A 79 -21.532 -17.812 -16.282 1.00 0.00 C ATOM 1215 CG HIS A 79 -22.627 -17.154 -17.095 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -22.822 -17.237 -18.459 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -23.616 -16.346 -16.602 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -23.900 -16.502 -18.778 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -24.420 -15.935 -17.675 1.00 0.00 N ATOM 0 H HIS A 79 -20.021 -19.235 -14.984 1.00 0.00 H new ATOM 0 HA HIS A 79 -22.013 -19.794 -16.955 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -21.866 -17.894 -15.248 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -20.657 -17.163 -16.284 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -22.246 -17.766 -19.113 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -23.753 -16.072 -15.566 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -24.293 -16.383 -19.777 1.00 0.00 H new ATOM 1227 N LEU A 80 -19.041 -18.973 -18.110 1.00 0.00 N ATOM 1228 CA LEU A 80 -18.214 -19.062 -19.316 1.00 0.00 C ATOM 1229 C LEU A 80 -18.205 -20.482 -19.912 1.00 0.00 C ATOM 1230 O LEU A 80 -18.330 -20.629 -21.127 1.00 0.00 O ATOM 1231 CB LEU A 80 -16.795 -18.567 -18.992 1.00 0.00 C ATOM 1232 CG LEU A 80 -15.848 -18.589 -20.204 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -16.318 -17.650 -21.314 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -14.452 -18.159 -19.769 1.00 0.00 C ATOM 0 H LEU A 80 -18.512 -18.770 -17.262 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.647 -18.421 -20.084 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -16.853 -17.550 -18.604 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.374 -19.187 -18.200 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.840 -19.608 -20.592 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.620 -17.697 -22.150 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -17.309 -17.953 -21.651 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -16.360 -16.629 -20.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.782 -18.175 -20.629 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.493 -17.150 -19.360 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.081 -18.844 -19.007 1.00 0.00 H new ATOM 1246 N LYS A 81 -18.130 -21.530 -19.081 1.00 0.00 N ATOM 1247 CA LYS A 81 -18.260 -22.926 -19.533 1.00 0.00 C ATOM 1248 C LYS A 81 -19.614 -23.159 -20.212 1.00 0.00 C ATOM 1249 O LYS A 81 -19.652 -23.709 -21.309 1.00 0.00 O ATOM 1250 CB LYS A 81 -18.033 -23.883 -18.350 1.00 0.00 C ATOM 1251 CG LYS A 81 -17.849 -25.337 -18.817 1.00 0.00 C ATOM 1252 CD LYS A 81 -17.706 -26.324 -17.645 1.00 0.00 C ATOM 1253 CE LYS A 81 -18.979 -26.488 -16.798 1.00 0.00 C ATOM 1254 NZ LYS A 81 -20.042 -27.251 -17.506 1.00 0.00 N ATOM 0 H LYS A 81 -17.978 -21.437 -18.077 1.00 0.00 H new ATOM 0 HA LYS A 81 -17.494 -23.131 -20.281 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -17.152 -23.567 -17.791 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.881 -23.825 -17.668 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -18.702 -25.628 -19.430 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.965 -25.401 -19.451 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.418 -27.299 -18.039 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.895 -25.988 -16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.729 -26.998 -15.868 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -19.361 -25.503 -16.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -20.916 -27.232 -16.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -20.219 -26.819 -18.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -19.735 -28.236 -17.635 1.00 0.00 H new ATOM 1268 N VAL A 82 -20.705 -22.650 -19.629 1.00 0.00 N ATOM 1269 CA VAL A 82 -22.056 -22.707 -20.221 1.00 0.00 C ATOM 1270 C VAL A 82 -22.131 -21.943 -21.552 1.00 0.00 C ATOM 1271 O VAL A 82 -22.708 -22.463 -22.506 1.00 0.00 O ATOM 1272 CB VAL A 82 -23.115 -22.214 -19.212 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -24.512 -22.058 -19.829 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -23.246 -23.205 -18.048 1.00 0.00 C ATOM 0 H VAL A 82 -20.680 -22.181 -18.724 1.00 0.00 H new ATOM 0 HA VAL A 82 -22.276 -23.750 -20.451 1.00 0.00 H new ATOM 0 HB VAL A 82 -22.765 -21.238 -18.876 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -25.209 -21.709 -19.067 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -24.471 -21.334 -20.643 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -24.849 -23.020 -20.215 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -23.996 -22.843 -17.345 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -23.548 -24.179 -18.432 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -22.287 -23.297 -17.539 1.00 0.00 H new ATOM 1284 N HIS A 83 -21.500 -20.768 -21.673 1.00 0.00 N ATOM 1285 CA HIS A 83 -21.371 -20.057 -22.956 1.00 0.00 C ATOM 1286 C HIS A 83 -20.651 -20.918 -24.010 1.00 0.00 C ATOM 1287 O HIS A 83 -21.143 -21.061 -25.129 1.00 0.00 O ATOM 1288 CB HIS A 83 -20.654 -18.708 -22.751 1.00 0.00 C ATOM 1289 CG HIS A 83 -20.166 -18.076 -24.036 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -20.899 -17.288 -24.889 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -18.921 -18.216 -24.591 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -20.127 -16.964 -25.938 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -18.897 -17.521 -25.819 1.00 0.00 N ATOM 0 H HIS A 83 -21.065 -20.283 -20.888 1.00 0.00 H new ATOM 0 HA HIS A 83 -22.374 -19.859 -23.335 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -21.334 -18.017 -22.253 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -19.805 -18.856 -22.084 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -21.867 -16.998 -24.749 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.097 -18.766 -24.161 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.443 -16.344 -26.764 1.00 0.00 H new ATOM 1301 N ILE A 84 -19.518 -21.536 -23.658 1.00 0.00 N ATOM 1302 CA ILE A 84 -18.752 -22.397 -24.573 1.00 0.00 C ATOM 1303 C ILE A 84 -19.588 -23.613 -25.002 1.00 0.00 C ATOM 1304 O ILE A 84 -19.712 -23.880 -26.197 1.00 0.00 O ATOM 1305 CB ILE A 84 -17.377 -22.756 -23.956 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -16.499 -21.485 -23.849 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -16.650 -23.822 -24.796 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -15.225 -21.656 -23.013 1.00 0.00 C ATOM 0 H ILE A 84 -19.104 -21.455 -22.729 1.00 0.00 H new ATOM 0 HA ILE A 84 -18.532 -21.854 -25.492 1.00 0.00 H new ATOM 0 HB ILE A 84 -17.550 -23.166 -22.961 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -16.219 -21.168 -24.853 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -17.096 -20.682 -23.416 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -15.688 -24.053 -24.338 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -17.257 -24.726 -24.841 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -16.489 -23.443 -25.805 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.674 -20.716 -22.994 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -15.493 -21.940 -21.995 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -14.602 -22.433 -23.455 1.00 0.00 H new ATOM 1320 N GLU A 85 -20.240 -24.295 -24.058 1.00 0.00 N ATOM 1321 CA GLU A 85 -21.101 -25.455 -24.323 1.00 0.00 C ATOM 1322 C GLU A 85 -22.316 -25.123 -25.211 1.00 0.00 C ATOM 1323 O GLU A 85 -22.699 -25.948 -26.043 1.00 0.00 O ATOM 1324 CB GLU A 85 -21.580 -26.052 -22.988 1.00 0.00 C ATOM 1325 CG GLU A 85 -20.466 -26.815 -22.261 1.00 0.00 C ATOM 1326 CD GLU A 85 -20.944 -27.338 -20.893 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -21.113 -26.530 -19.948 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -21.115 -28.569 -20.734 1.00 0.00 O ATOM 0 H GLU A 85 -20.185 -24.054 -23.068 1.00 0.00 H new ATOM 0 HA GLU A 85 -20.500 -26.178 -24.875 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.949 -25.252 -22.346 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -22.418 -26.724 -23.173 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.134 -27.651 -22.876 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.606 -26.161 -22.122 1.00 0.00 H new ATOM 1335 N ARG A 86 -22.908 -23.929 -25.069 1.00 0.00 N ATOM 1336 CA ARG A 86 -24.100 -23.506 -25.828 1.00 0.00 C ATOM 1337 C ARG A 86 -23.788 -22.906 -27.202 1.00 0.00 C ATOM 1338 O ARG A 86 -24.560 -23.113 -28.140 1.00 0.00 O ATOM 1339 CB ARG A 86 -24.943 -22.546 -24.986 1.00 0.00 C ATOM 1340 CG ARG A 86 -25.660 -23.336 -23.880 1.00 0.00 C ATOM 1341 CD ARG A 86 -26.467 -22.415 -22.975 1.00 0.00 C ATOM 1342 NE ARG A 86 -27.642 -21.833 -23.658 1.00 0.00 N ATOM 1343 CZ ARG A 86 -28.487 -20.950 -23.154 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -28.363 -20.483 -21.943 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -29.488 -20.515 -23.866 1.00 0.00 N ATOM 0 H ARG A 86 -22.571 -23.220 -24.418 1.00 0.00 H new ATOM 0 HA ARG A 86 -24.670 -24.412 -26.035 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -24.308 -21.777 -24.546 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -25.672 -22.036 -25.616 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -26.321 -24.077 -24.330 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -24.927 -23.881 -23.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -26.800 -22.972 -22.099 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -25.825 -21.611 -22.616 1.00 0.00 H new ATOM 0 HE ARG A 86 -27.818 -22.144 -24.613 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -27.595 -20.798 -21.351 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -29.034 -19.802 -21.588 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -29.623 -20.856 -24.818 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -30.137 -19.834 -23.471 1.00 0.00 H new ATOM 1359 N VAL A 87 -22.687 -22.158 -27.326 1.00 0.00 N ATOM 1360 CA VAL A 87 -22.361 -21.353 -28.523 1.00 0.00 C ATOM 1361 C VAL A 87 -21.308 -22.016 -29.419 1.00 0.00 C ATOM 1362 O VAL A 87 -21.407 -21.918 -30.644 1.00 0.00 O ATOM 1363 CB VAL A 87 -21.939 -19.920 -28.117 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -21.680 -19.016 -29.329 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -23.031 -19.235 -27.280 1.00 0.00 C ATOM 0 H VAL A 87 -21.983 -22.089 -26.591 1.00 0.00 H new ATOM 0 HA VAL A 87 -23.269 -21.290 -29.122 1.00 0.00 H new ATOM 0 HB VAL A 87 -21.020 -20.043 -27.544 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -21.387 -18.023 -28.987 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -20.880 -19.441 -29.936 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -22.588 -18.940 -29.927 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -22.706 -18.230 -27.010 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -23.951 -19.175 -27.862 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -23.212 -19.814 -26.374 1.00 0.00 H new ATOM 1375 N HIS A 88 -20.314 -22.704 -28.842 1.00 0.00 N ATOM 1376 CA HIS A 88 -19.136 -23.203 -29.573 1.00 0.00 C ATOM 1377 C HIS A 88 -19.019 -24.739 -29.625 1.00 0.00 C ATOM 1378 O HIS A 88 -18.359 -25.267 -30.525 1.00 0.00 O ATOM 1379 CB HIS A 88 -17.876 -22.552 -28.984 1.00 0.00 C ATOM 1380 CG HIS A 88 -17.913 -21.041 -29.002 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -17.932 -20.229 -30.114 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -17.902 -20.217 -27.912 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -17.924 -18.950 -29.709 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -17.900 -18.879 -28.357 1.00 0.00 N ATOM 0 H HIS A 88 -20.302 -22.933 -27.848 1.00 0.00 H new ATOM 0 HA HIS A 88 -19.256 -22.914 -30.617 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -17.748 -22.892 -27.956 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -17.005 -22.893 -29.544 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -17.896 -20.537 -26.881 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -17.935 -18.096 -30.370 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -17.884 -18.036 -27.782 1.00 0.00 H new