USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=23 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 67 CYS SG : rot 143:sc= 2.12 USER MOD Set 1.2: A 70 CYS SG : rot -45:sc= 1.51 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.726 K(o=4.6,f=-2.4) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.243 K(o=4.6,f=-2.5) USER MOD Set 2.1: A 76 SER OG : rot -153:sc= 1.16 USER MOD Set 2.2: A 79 HIS : no HD1:sc= 0.933 K(o=2.1,f=-4.5!) USER MOD Set 3.1: A 45 TYR OH : rot 120:sc= 0.419 USER MOD Set 3.2: A 47 SER OG : rot -144:sc= 2.19 USER MOD Set 3.3: A 52 ASN : amide:sc= 1.28 K(o=3.9,f=2.5) USER MOD Set 4.1: A 40 CYS SG : rot 90:sc= 2.06 USER MOD Set 4.2: A 43 CYS SG : rot -42:sc= 0.984 USER MOD Set 4.3: A 56 HIS : no HE2:sc= 0.323 K(o=3.9,f=-2.5) USER MOD Set 4.4: A 60 HIS : no HD1:sc= 0.497 K(o=3.9,f=-2.1) USER MOD Set 5.1: A 12 CYS SG : rot 110:sc= 1.94 USER MOD Set 5.2: A 15 CYS SG : rot -39:sc= 2.33 USER MOD Set 5.3: A 17 LYS NZ :NH3+ 164:sc= 1.38 (180deg=-0.245) USER MOD Set 5.4: A 28 HIS : no HD1:sc= 0.218 K(o=5.9,f=2.4) 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= 0.668 K(o=0.67,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0268 X(o=-0.027,f=-0.02) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0611 X(o=-0.061,f=-0.061) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0.854 (180deg=0.819) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.733 K(o=0.73,f=-3.5!) 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 74 CYS SG : rot 160:sc= 0.364 USER MOD Single : A 77 LYS NZ :NH3+ -113:sc= 0.681 (180deg=0.00569) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 5.581 6.813 -26.407 1.00 0.00 N ATOM 110 CA PHE A 10 6.171 6.392 -25.132 1.00 0.00 C ATOM 111 C PHE A 10 7.666 6.088 -25.304 1.00 0.00 C ATOM 112 O PHE A 10 8.054 5.424 -26.261 1.00 0.00 O ATOM 113 CB PHE A 10 5.377 5.186 -24.604 1.00 0.00 C ATOM 114 CG PHE A 10 3.914 5.491 -24.328 1.00 0.00 C ATOM 115 CD1 PHE A 10 2.963 5.408 -25.365 1.00 0.00 C ATOM 116 CD2 PHE A 10 3.508 5.893 -23.042 1.00 0.00 C ATOM 117 CE1 PHE A 10 1.616 5.732 -25.119 1.00 0.00 C ATOM 118 CE2 PHE A 10 2.160 6.209 -22.792 1.00 0.00 C ATOM 119 CZ PHE A 10 1.215 6.129 -23.831 1.00 0.00 C ATOM 0 HA PHE A 10 6.108 7.194 -24.396 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.439 4.375 -25.330 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.844 4.829 -23.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.269 5.095 -26.352 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.233 5.959 -22.245 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.891 5.676 -25.918 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.851 6.513 -21.803 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.180 6.373 -23.639 1.00 0.00 H new ATOM 129 N THR A 11 8.519 6.560 -24.386 1.00 0.00 N ATOM 130 CA THR A 11 9.984 6.531 -24.546 1.00 0.00 C ATOM 131 C THR A 11 10.688 6.026 -23.282 1.00 0.00 C ATOM 132 O THR A 11 10.376 6.467 -22.173 1.00 0.00 O ATOM 133 CB THR A 11 10.504 7.930 -24.930 1.00 0.00 C ATOM 134 OG1 THR A 11 9.800 8.428 -26.052 1.00 0.00 O ATOM 135 CG2 THR A 11 11.980 7.932 -25.310 1.00 0.00 C ATOM 0 H THR A 11 8.214 6.975 -23.506 1.00 0.00 H new ATOM 0 HA THR A 11 10.215 5.830 -25.348 1.00 0.00 H new ATOM 0 HB THR A 11 10.355 8.549 -24.045 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.140 9.318 -26.283 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.287 8.945 -25.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.573 7.578 -24.467 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.136 7.274 -26.165 1.00 0.00 H new ATOM 143 N CYS A 12 11.656 5.121 -23.454 1.00 0.00 N ATOM 144 CA CYS A 12 12.503 4.586 -22.388 1.00 0.00 C ATOM 145 C CYS A 12 13.525 5.629 -21.904 1.00 0.00 C ATOM 146 O CYS A 12 14.243 6.241 -22.701 1.00 0.00 O ATOM 147 CB CYS A 12 13.164 3.308 -22.919 1.00 0.00 C ATOM 148 SG CYS A 12 14.259 2.592 -21.663 1.00 0.00 S ATOM 0 H CYS A 12 11.877 4.729 -24.369 1.00 0.00 H new ATOM 0 HA CYS A 12 11.906 4.343 -21.509 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.398 2.584 -23.198 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.733 3.533 -23.821 1.00 0.00 H new ATOM 0 HG CYS A 12 13.741 1.487 -21.215 1.00 0.00 H new ATOM 153 N GLU A 13 13.617 5.820 -20.588 1.00 0.00 N ATOM 154 CA GLU A 13 14.584 6.732 -19.957 1.00 0.00 C ATOM 155 C GLU A 13 15.980 6.110 -19.751 1.00 0.00 C ATOM 156 O GLU A 13 16.921 6.818 -19.382 1.00 0.00 O ATOM 157 CB GLU A 13 13.997 7.300 -18.651 1.00 0.00 C ATOM 158 CG GLU A 13 13.826 6.261 -17.535 1.00 0.00 C ATOM 159 CD GLU A 13 13.208 6.910 -16.280 1.00 0.00 C ATOM 160 OE1 GLU A 13 13.956 7.504 -15.465 1.00 0.00 O ATOM 161 OE2 GLU A 13 11.966 6.844 -16.103 1.00 0.00 O ATOM 0 H GLU A 13 13.016 5.341 -19.917 1.00 0.00 H new ATOM 0 HA GLU A 13 14.751 7.555 -20.652 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.645 8.099 -18.292 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.027 7.749 -18.866 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.188 5.448 -17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.793 5.824 -17.286 1.00 0.00 H new ATOM 168 N TYR A 14 16.131 4.801 -19.998 1.00 0.00 N ATOM 169 CA TYR A 14 17.364 4.043 -19.746 1.00 0.00 C ATOM 170 C TYR A 14 18.165 3.716 -21.019 1.00 0.00 C ATOM 171 O TYR A 14 19.396 3.652 -20.955 1.00 0.00 O ATOM 172 CB TYR A 14 17.016 2.754 -18.990 1.00 0.00 C ATOM 173 CG TYR A 14 16.342 2.949 -17.645 1.00 0.00 C ATOM 174 CD1 TYR A 14 17.118 3.222 -16.501 1.00 0.00 C ATOM 175 CD2 TYR A 14 14.941 2.834 -17.534 1.00 0.00 C ATOM 176 CE1 TYR A 14 16.498 3.382 -15.247 1.00 0.00 C ATOM 177 CE2 TYR A 14 14.318 2.993 -16.280 1.00 0.00 C ATOM 178 CZ TYR A 14 15.093 3.266 -15.133 1.00 0.00 C ATOM 179 OH TYR A 14 14.483 3.416 -13.926 1.00 0.00 O ATOM 0 H TYR A 14 15.383 4.228 -20.387 1.00 0.00 H new ATOM 0 HA TYR A 14 18.012 4.681 -19.145 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.364 2.149 -19.620 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.932 2.183 -18.839 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.191 3.309 -16.586 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.345 2.624 -18.410 1.00 0.00 H new ATOM 0 HE1 TYR A 14 17.095 3.593 -14.372 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.245 2.906 -16.197 1.00 0.00 H new ATOM 0 HH TYR A 14 13.515 3.305 -14.033 1.00 0.00 H new ATOM 189 N CYS A 15 17.494 3.527 -22.166 1.00 0.00 N ATOM 190 CA CYS A 15 18.123 3.232 -23.466 1.00 0.00 C ATOM 191 C CYS A 15 17.586 4.063 -24.661 1.00 0.00 C ATOM 192 O CYS A 15 17.977 3.832 -25.808 1.00 0.00 O ATOM 193 CB CYS A 15 18.129 1.715 -23.710 1.00 0.00 C ATOM 194 SG CYS A 15 16.474 1.043 -23.980 1.00 0.00 S ATOM 0 H CYS A 15 16.477 3.576 -22.218 1.00 0.00 H new ATOM 0 HA CYS A 15 19.157 3.570 -23.403 1.00 0.00 H new ATOM 0 HB2 CYS A 15 18.752 1.493 -24.577 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.584 1.216 -22.854 1.00 0.00 H new ATOM 0 HG CYS A 15 15.630 1.636 -23.188 1.00 0.00 H new ATOM 199 N ASN A 16 16.729 5.061 -24.397 1.00 0.00 N ATOM 200 CA ASN A 16 16.176 6.019 -25.372 1.00 0.00 C ATOM 201 C ASN A 16 15.370 5.389 -26.538 1.00 0.00 C ATOM 202 O ASN A 16 15.134 6.037 -27.563 1.00 0.00 O ATOM 203 CB ASN A 16 17.282 7.012 -25.800 1.00 0.00 C ATOM 204 CG ASN A 16 16.774 8.430 -26.038 1.00 0.00 C ATOM 205 OD1 ASN A 16 17.090 9.358 -25.306 1.00 0.00 O ATOM 206 ND2 ASN A 16 15.981 8.653 -27.058 1.00 0.00 N ATOM 0 H ASN A 16 16.385 5.232 -23.452 1.00 0.00 H new ATOM 0 HA ASN A 16 15.394 6.587 -24.868 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.054 7.036 -25.031 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.753 6.646 -26.712 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.632 9.595 -27.237 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.713 7.885 -27.673 1.00 0.00 H new ATOM 213 N LYS A 17 14.917 4.136 -26.395 1.00 0.00 N ATOM 214 CA LYS A 17 14.000 3.471 -27.335 1.00 0.00 C ATOM 215 C LYS A 17 12.600 4.082 -27.290 1.00 0.00 C ATOM 216 O LYS A 17 12.154 4.562 -26.247 1.00 0.00 O ATOM 217 CB LYS A 17 13.924 1.970 -27.033 1.00 0.00 C ATOM 218 CG LYS A 17 15.189 1.228 -27.464 1.00 0.00 C ATOM 219 CD LYS A 17 15.064 -0.241 -27.038 1.00 0.00 C ATOM 220 CE LYS A 17 16.349 -1.053 -27.214 1.00 0.00 C ATOM 221 NZ LYS A 17 17.499 -0.457 -26.481 1.00 0.00 N ATOM 0 H LYS A 17 15.182 3.544 -25.608 1.00 0.00 H new ATOM 0 HA LYS A 17 14.398 3.619 -28.339 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.766 1.824 -25.964 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.062 1.542 -27.544 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.320 1.299 -28.544 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.068 1.681 -27.006 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.762 -0.280 -25.991 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.268 -0.710 -27.617 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.184 -2.071 -26.861 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.592 -1.119 -28.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.261 -1.160 -26.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.849 0.374 -27.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.192 -0.167 -25.530 1.00 0.00 H new ATOM 235 N VAL A 18 11.907 4.020 -28.423 1.00 0.00 N ATOM 236 CA VAL A 18 10.575 4.611 -28.644 1.00 0.00 C ATOM 237 C VAL A 18 9.548 3.521 -28.970 1.00 0.00 C ATOM 238 O VAL A 18 9.821 2.608 -29.754 1.00 0.00 O ATOM 239 CB VAL A 18 10.633 5.694 -29.742 1.00 0.00 C ATOM 240 CG1 VAL A 18 9.278 6.384 -29.921 1.00 0.00 C ATOM 241 CG2 VAL A 18 11.652 6.792 -29.405 1.00 0.00 C ATOM 0 H VAL A 18 12.264 3.540 -29.249 1.00 0.00 H new ATOM 0 HA VAL A 18 10.253 5.099 -27.724 1.00 0.00 H new ATOM 0 HB VAL A 18 10.923 5.174 -30.655 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.355 7.141 -30.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.528 5.645 -30.204 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.984 6.858 -28.984 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.663 7.535 -30.202 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.374 7.271 -28.466 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.644 6.350 -29.307 1.00 0.00 H new ATOM 251 N PHE A 19 8.362 3.627 -28.370 1.00 0.00 N ATOM 252 CA PHE A 19 7.280 2.639 -28.391 1.00 0.00 C ATOM 253 C PHE A 19 5.916 3.298 -28.678 1.00 0.00 C ATOM 254 O PHE A 19 5.655 4.438 -28.274 1.00 0.00 O ATOM 255 CB PHE A 19 7.257 1.886 -27.048 1.00 0.00 C ATOM 256 CG PHE A 19 8.557 1.176 -26.705 1.00 0.00 C ATOM 257 CD1 PHE A 19 8.831 -0.099 -27.236 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.516 1.812 -25.895 1.00 0.00 C ATOM 259 CE1 PHE A 19 10.068 -0.721 -26.983 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.752 1.190 -25.642 1.00 0.00 C ATOM 261 CZ PHE A 19 11.037 -0.071 -26.197 1.00 0.00 C ATOM 0 H PHE A 19 8.115 4.453 -27.824 1.00 0.00 H new ATOM 0 HA PHE A 19 7.466 1.932 -29.199 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.022 2.593 -26.253 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.451 1.152 -27.070 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.089 -0.601 -27.839 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.302 2.780 -25.467 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.274 -1.699 -27.393 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.485 1.682 -25.020 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.995 -0.538 -26.021 1.00 0.00 H new ATOM 271 N LYS A 20 5.029 2.566 -29.364 1.00 0.00 N ATOM 272 CA LYS A 20 3.712 3.058 -29.811 1.00 0.00 C ATOM 273 C LYS A 20 2.663 3.117 -28.689 1.00 0.00 C ATOM 274 O LYS A 20 1.746 3.934 -28.756 1.00 0.00 O ATOM 275 CB LYS A 20 3.250 2.183 -30.993 1.00 0.00 C ATOM 276 CG LYS A 20 2.013 2.745 -31.711 1.00 0.00 C ATOM 277 CD LYS A 20 1.702 1.952 -32.988 1.00 0.00 C ATOM 278 CE LYS A 20 0.441 2.509 -33.656 1.00 0.00 C ATOM 279 NZ LYS A 20 0.118 1.780 -34.911 1.00 0.00 N ATOM 0 H LYS A 20 5.206 1.598 -29.631 1.00 0.00 H new ATOM 0 HA LYS A 20 3.819 4.094 -30.131 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.067 2.089 -31.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.027 1.180 -30.630 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.154 2.711 -31.041 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.180 3.792 -31.962 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.545 2.011 -33.677 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.561 0.899 -32.746 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.399 2.436 -32.966 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.582 3.567 -33.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.741 2.184 -35.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.910 1.871 -35.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.041 0.775 -34.697 1.00 0.00 H new ATOM 293 N PHE A 21 2.806 2.282 -27.656 1.00 0.00 N ATOM 294 CA PHE A 21 1.830 2.121 -26.572 1.00 0.00 C ATOM 295 C PHE A 21 2.486 2.066 -25.185 1.00 0.00 C ATOM 296 O PHE A 21 3.638 1.649 -25.038 1.00 0.00 O ATOM 297 CB PHE A 21 1.009 0.845 -26.804 1.00 0.00 C ATOM 298 CG PHE A 21 0.331 0.736 -28.159 1.00 0.00 C ATOM 299 CD1 PHE A 21 -0.812 1.509 -28.443 1.00 0.00 C ATOM 300 CD2 PHE A 21 0.833 -0.148 -29.133 1.00 0.00 C ATOM 301 CE1 PHE A 21 -1.451 1.393 -29.690 1.00 0.00 C ATOM 302 CE2 PHE A 21 0.189 -0.270 -30.376 1.00 0.00 C ATOM 303 CZ PHE A 21 -0.955 0.499 -30.656 1.00 0.00 C ATOM 0 H PHE A 21 3.625 1.683 -27.547 1.00 0.00 H new ATOM 0 HA PHE A 21 1.184 2.999 -26.588 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.665 -0.016 -26.676 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.245 0.781 -26.029 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.198 2.192 -27.701 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.716 -0.734 -28.924 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.324 1.991 -29.906 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.573 -0.955 -31.117 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.451 0.403 -31.610 1.00 0.00 H new ATOM 313 N LYS A 22 1.711 2.412 -24.148 1.00 0.00 N ATOM 314 CA LYS A 22 2.143 2.363 -22.741 1.00 0.00 C ATOM 315 C LYS A 22 2.508 0.943 -22.303 1.00 0.00 C ATOM 316 O LYS A 22 3.532 0.748 -21.656 1.00 0.00 O ATOM 317 CB LYS A 22 1.036 2.960 -21.853 1.00 0.00 C ATOM 318 CG LYS A 22 1.549 3.304 -20.449 1.00 0.00 C ATOM 319 CD LYS A 22 0.448 3.971 -19.614 1.00 0.00 C ATOM 320 CE LYS A 22 1.002 4.387 -18.246 1.00 0.00 C ATOM 321 NZ LYS A 22 -0.045 5.015 -17.399 1.00 0.00 N ATOM 0 H LYS A 22 0.752 2.739 -24.263 1.00 0.00 H new ATOM 0 HA LYS A 22 3.050 2.957 -22.633 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.639 3.859 -22.324 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.212 2.251 -21.774 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.891 2.397 -19.950 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.408 3.970 -20.524 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.061 4.844 -20.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.387 3.283 -19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.407 3.513 -17.736 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.827 5.086 -18.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.365 5.284 -16.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.414 5.863 -17.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.820 4.339 -17.247 1.00 0.00 H new ATOM 335 N HIS A 23 1.719 -0.055 -22.710 1.00 0.00 N ATOM 336 CA HIS A 23 1.969 -1.463 -22.381 1.00 0.00 C ATOM 337 C HIS A 23 3.264 -2.002 -23.019 1.00 0.00 C ATOM 338 O HIS A 23 3.957 -2.810 -22.400 1.00 0.00 O ATOM 339 CB HIS A 23 0.739 -2.316 -22.735 1.00 0.00 C ATOM 340 CG HIS A 23 0.339 -2.324 -24.194 1.00 0.00 C ATOM 341 ND1 HIS A 23 -0.737 -1.662 -24.747 1.00 0.00 N ATOM 342 CD2 HIS A 23 0.912 -3.062 -25.195 1.00 0.00 C ATOM 343 CE1 HIS A 23 -0.805 -1.988 -26.050 1.00 0.00 C ATOM 344 NE2 HIS A 23 0.184 -2.840 -26.372 1.00 0.00 N ATOM 0 H HIS A 23 0.885 0.090 -23.279 1.00 0.00 H new ATOM 0 HA HIS A 23 2.130 -1.531 -21.305 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.932 -3.343 -22.425 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.107 -1.960 -22.148 1.00 0.00 H new ATOM 0 HD2 HIS A 23 1.775 -3.704 -25.095 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -1.549 -1.618 -26.740 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.368 -3.244 -27.290 1.00 0.00 H new ATOM 352 N SER A 24 3.643 -1.510 -24.204 1.00 0.00 N ATOM 353 CA SER A 24 4.912 -1.854 -24.862 1.00 0.00 C ATOM 354 C SER A 24 6.117 -1.339 -24.065 1.00 0.00 C ATOM 355 O SER A 24 7.053 -2.097 -23.811 1.00 0.00 O ATOM 356 CB SER A 24 4.955 -1.283 -26.285 1.00 0.00 C ATOM 357 OG SER A 24 3.838 -1.706 -27.050 1.00 0.00 O ATOM 0 H SER A 24 3.073 -0.855 -24.740 1.00 0.00 H new ATOM 0 HA SER A 24 4.969 -2.942 -24.908 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.975 -0.194 -26.241 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.875 -1.599 -26.777 1.00 0.00 H new ATOM 0 HG SER A 24 3.895 -1.324 -27.951 1.00 0.00 H new ATOM 363 N LEU A 25 6.071 -0.084 -23.593 1.00 0.00 N ATOM 364 CA LEU A 25 7.106 0.470 -22.713 1.00 0.00 C ATOM 365 C LEU A 25 7.131 -0.229 -21.340 1.00 0.00 C ATOM 366 O LEU A 25 8.205 -0.582 -20.859 1.00 0.00 O ATOM 367 CB LEU A 25 6.929 1.995 -22.596 1.00 0.00 C ATOM 368 CG LEU A 25 7.934 2.667 -21.636 1.00 0.00 C ATOM 369 CD1 LEU A 25 9.392 2.462 -22.053 1.00 0.00 C ATOM 370 CD2 LEU A 25 7.685 4.170 -21.568 1.00 0.00 C ATOM 0 H LEU A 25 5.319 0.570 -23.810 1.00 0.00 H new ATOM 0 HA LEU A 25 8.082 0.277 -23.159 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.033 2.440 -23.585 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.916 2.209 -22.255 1.00 0.00 H new ATOM 0 HG LEU A 25 7.776 2.193 -20.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.048 2.958 -21.338 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.618 1.396 -22.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.550 2.886 -23.045 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.403 4.627 -20.887 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.801 4.603 -22.561 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.673 4.355 -21.207 1.00 0.00 H new ATOM 382 N GLN A 26 5.975 -0.495 -20.723 1.00 0.00 N ATOM 383 CA GLN A 26 5.894 -1.211 -19.438 1.00 0.00 C ATOM 384 C GLN A 26 6.498 -2.623 -19.512 1.00 0.00 C ATOM 385 O GLN A 26 7.219 -3.035 -18.602 1.00 0.00 O ATOM 386 CB GLN A 26 4.430 -1.286 -18.972 1.00 0.00 C ATOM 387 CG GLN A 26 3.892 0.044 -18.418 1.00 0.00 C ATOM 388 CD GLN A 26 4.531 0.432 -17.084 1.00 0.00 C ATOM 389 OE1 GLN A 26 5.414 1.274 -17.007 1.00 0.00 O ATOM 390 NE2 GLN A 26 4.123 -0.168 -15.986 1.00 0.00 N ATOM 0 H GLN A 26 5.067 -0.221 -21.098 1.00 0.00 H new ATOM 0 HA GLN A 26 6.484 -0.648 -18.715 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.807 -1.600 -19.809 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.341 -2.053 -18.203 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.073 0.835 -19.146 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.812 -0.031 -18.290 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.387 -0.873 -16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.543 0.072 -15.088 1.00 0.00 H new ATOM 399 N ALA A 27 6.260 -3.352 -20.608 1.00 0.00 N ATOM 400 CA ALA A 27 6.852 -4.669 -20.837 1.00 0.00 C ATOM 401 C ALA A 27 8.352 -4.603 -21.186 1.00 0.00 C ATOM 402 O ALA A 27 9.104 -5.506 -20.814 1.00 0.00 O ATOM 403 CB ALA A 27 6.046 -5.368 -21.930 1.00 0.00 C ATOM 0 H ALA A 27 5.648 -3.041 -21.363 1.00 0.00 H new ATOM 0 HA ALA A 27 6.804 -5.242 -19.911 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.469 -6.355 -22.119 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.010 -5.473 -21.607 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.083 -4.776 -22.844 1.00 0.00 H new ATOM 409 N HIS A 28 8.807 -3.531 -21.842 1.00 0.00 N ATOM 410 CA HIS A 28 10.229 -3.272 -22.092 1.00 0.00 C ATOM 411 C HIS A 28 10.997 -2.952 -20.797 1.00 0.00 C ATOM 412 O HIS A 28 12.091 -3.475 -20.582 1.00 0.00 O ATOM 413 CB HIS A 28 10.358 -2.134 -23.115 1.00 0.00 C ATOM 414 CG HIS A 28 11.777 -1.660 -23.277 1.00 0.00 C ATOM 415 ND1 HIS A 28 12.799 -2.360 -23.867 1.00 0.00 N ATOM 416 CD2 HIS A 28 12.311 -0.508 -22.765 1.00 0.00 C ATOM 417 CE1 HIS A 28 13.929 -1.657 -23.719 1.00 0.00 C ATOM 418 NE2 HIS A 28 13.692 -0.505 -23.044 1.00 0.00 N ATOM 0 H HIS A 28 8.191 -2.810 -22.219 1.00 0.00 H new ATOM 0 HA HIS A 28 10.682 -4.177 -22.497 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.980 -2.473 -24.079 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.733 -1.297 -22.803 1.00 0.00 H new ATOM 0 HD2 HIS A 28 11.768 0.264 -22.239 1.00 0.00 H new ATOM 0 HE1 HIS A 28 14.897 -1.965 -24.087 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.371 0.213 -22.791 1.00 0.00 H new ATOM 426 N LEU A 29 10.421 -2.147 -19.897 1.00 0.00 N ATOM 427 CA LEU A 29 11.048 -1.716 -18.637 1.00 0.00 C ATOM 428 C LEU A 29 11.433 -2.875 -17.697 1.00 0.00 C ATOM 429 O LEU A 29 12.302 -2.689 -16.843 1.00 0.00 O ATOM 430 CB LEU A 29 10.120 -0.706 -17.930 1.00 0.00 C ATOM 431 CG LEU A 29 10.164 0.713 -18.533 1.00 0.00 C ATOM 432 CD1 LEU A 29 8.996 1.545 -18.004 1.00 0.00 C ATOM 433 CD2 LEU A 29 11.456 1.449 -18.166 1.00 0.00 C ATOM 0 H LEU A 29 9.483 -1.767 -20.025 1.00 0.00 H new ATOM 0 HA LEU A 29 11.994 -1.241 -18.895 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.096 -1.077 -17.973 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.395 -0.651 -16.877 1.00 0.00 H new ATOM 0 HG LEU A 29 10.108 0.597 -19.615 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.037 2.545 -18.436 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.055 1.068 -18.280 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.062 1.616 -16.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.447 2.444 -18.610 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.530 1.536 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.313 0.891 -18.544 1.00 0.00 H new ATOM 445 N ARG A 30 10.886 -4.084 -17.900 1.00 0.00 N ATOM 446 CA ARG A 30 11.271 -5.311 -17.173 1.00 0.00 C ATOM 447 C ARG A 30 12.764 -5.669 -17.290 1.00 0.00 C ATOM 448 O ARG A 30 13.284 -6.360 -16.413 1.00 0.00 O ATOM 449 CB ARG A 30 10.421 -6.496 -17.663 1.00 0.00 C ATOM 450 CG ARG A 30 8.914 -6.315 -17.394 1.00 0.00 C ATOM 451 CD ARG A 30 8.103 -7.538 -17.848 1.00 0.00 C ATOM 452 NE ARG A 30 8.209 -7.750 -19.304 1.00 0.00 N ATOM 453 CZ ARG A 30 7.735 -8.761 -20.006 1.00 0.00 C ATOM 454 NH1 ARG A 30 7.043 -9.722 -19.463 1.00 0.00 N ATOM 455 NH2 ARG A 30 7.956 -8.818 -21.287 1.00 0.00 N ATOM 0 H ARG A 30 10.149 -4.242 -18.587 1.00 0.00 H new ATOM 0 HA ARG A 30 11.085 -5.106 -16.119 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.579 -6.630 -18.733 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.764 -7.408 -17.174 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.752 -6.146 -16.329 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.556 -5.427 -17.915 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.458 -8.425 -17.324 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.056 -7.403 -17.575 1.00 0.00 H new ATOM 0 HE ARG A 30 8.707 -7.031 -19.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.851 -9.709 -18.461 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.693 -10.487 -20.040 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.494 -8.082 -21.745 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.591 -9.598 -21.833 1.00 0.00 H new ATOM 469 N ILE A 31 13.470 -5.201 -18.330 1.00 0.00 N ATOM 470 CA ILE A 31 14.923 -5.410 -18.476 1.00 0.00 C ATOM 471 C ILE A 31 15.762 -4.424 -17.642 1.00 0.00 C ATOM 472 O ILE A 31 16.892 -4.737 -17.264 1.00 0.00 O ATOM 473 CB ILE A 31 15.358 -5.413 -19.956 1.00 0.00 C ATOM 474 CG1 ILE A 31 15.508 -4.006 -20.579 1.00 0.00 C ATOM 475 CG2 ILE A 31 14.457 -6.349 -20.789 1.00 0.00 C ATOM 476 CD1 ILE A 31 15.996 -4.037 -22.030 1.00 0.00 C ATOM 0 H ILE A 31 13.053 -4.668 -19.093 1.00 0.00 H new ATOM 0 HA ILE A 31 15.124 -6.402 -18.071 1.00 0.00 H new ATOM 0 HB ILE A 31 16.371 -5.815 -19.978 1.00 0.00 H new ATOM 0 HG12 ILE A 31 14.547 -3.493 -20.537 1.00 0.00 H new ATOM 0 HG13 ILE A 31 16.207 -3.423 -19.980 1.00 0.00 H new ATOM 0 HG21 ILE A 31 14.782 -6.336 -21.829 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.529 -7.365 -20.400 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.423 -6.009 -20.727 1.00 0.00 H new ATOM 0 HD11 ILE A 31 16.080 -3.018 -22.408 1.00 0.00 H new ATOM 0 HD12 ILE A 31 16.971 -4.522 -22.076 1.00 0.00 H new ATOM 0 HD13 ILE A 31 15.285 -4.593 -22.641 1.00 0.00 H new ATOM 570 N PRO A 37 10.816 -10.517 -7.519 1.00 0.00 N ATOM 571 CA PRO A 37 10.856 -11.707 -8.372 1.00 0.00 C ATOM 572 C PRO A 37 9.484 -12.138 -8.899 1.00 0.00 C ATOM 573 O PRO A 37 9.357 -12.403 -10.096 1.00 0.00 O ATOM 574 CB PRO A 37 11.492 -12.814 -7.521 1.00 0.00 C ATOM 575 CG PRO A 37 11.296 -12.352 -6.078 1.00 0.00 C ATOM 576 CD PRO A 37 11.311 -10.831 -6.189 1.00 0.00 C ATOM 0 HA PRO A 37 11.433 -11.491 -9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.011 -13.776 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.549 -12.938 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.355 -12.715 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.092 -12.715 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.682 -10.378 -5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.318 -10.440 -6.046 1.00 0.00 H new ATOM 584 N TYR A 38 8.458 -12.186 -8.044 1.00 0.00 N ATOM 585 CA TYR A 38 7.130 -12.703 -8.379 1.00 0.00 C ATOM 586 C TYR A 38 6.171 -11.559 -8.730 1.00 0.00 C ATOM 587 O TYR A 38 6.142 -10.548 -8.033 1.00 0.00 O ATOM 588 CB TYR A 38 6.567 -13.527 -7.207 1.00 0.00 C ATOM 589 CG TYR A 38 7.460 -14.629 -6.670 1.00 0.00 C ATOM 590 CD1 TYR A 38 7.486 -15.890 -7.298 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.237 -14.402 -5.521 1.00 0.00 C ATOM 592 CE1 TYR A 38 8.303 -16.917 -6.783 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.069 -15.417 -5.014 1.00 0.00 C ATOM 594 CZ TYR A 38 9.107 -16.677 -5.646 1.00 0.00 C ATOM 595 OH TYR A 38 9.905 -17.658 -5.141 1.00 0.00 O ATOM 0 H TYR A 38 8.530 -11.860 -7.080 1.00 0.00 H new ATOM 0 HA TYR A 38 7.226 -13.349 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.336 -12.845 -6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.625 -13.974 -7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.880 -16.070 -8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.195 -13.444 -5.025 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.314 -17.887 -7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.678 -15.231 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 38 10.388 -17.317 -4.359 1.00 0.00 H new ATOM 605 N LYS A 39 5.355 -11.709 -9.777 1.00 0.00 N ATOM 606 CA LYS A 39 4.360 -10.731 -10.238 1.00 0.00 C ATOM 607 C LYS A 39 2.955 -11.338 -10.316 1.00 0.00 C ATOM 608 O LYS A 39 2.800 -12.516 -10.645 1.00 0.00 O ATOM 609 CB LYS A 39 4.762 -10.165 -11.608 1.00 0.00 C ATOM 610 CG LYS A 39 6.075 -9.363 -11.629 1.00 0.00 C ATOM 611 CD LYS A 39 7.281 -10.241 -11.991 1.00 0.00 C ATOM 612 CE LYS A 39 8.581 -9.439 -11.905 1.00 0.00 C ATOM 613 NZ LYS A 39 9.759 -10.319 -12.097 1.00 0.00 N ATOM 0 H LYS A 39 5.369 -12.551 -10.353 1.00 0.00 H new ATOM 0 HA LYS A 39 4.334 -9.924 -9.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.849 -10.992 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.958 -9.523 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.991 -8.549 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.238 -8.909 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.330 -11.096 -11.316 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.159 -10.637 -12.999 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.580 -8.655 -12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.645 -8.945 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.629 -9.778 -11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.706 -11.119 -11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.769 -10.677 -13.073 1.00 0.00 H new ATOM 627 N CYS A 40 1.939 -10.515 -10.061 1.00 0.00 N ATOM 628 CA CYS A 40 0.531 -10.868 -10.214 1.00 0.00 C ATOM 629 C CYS A 40 0.152 -10.985 -11.711 1.00 0.00 C ATOM 630 O CYS A 40 0.499 -10.100 -12.506 1.00 0.00 O ATOM 631 CB CYS A 40 -0.297 -9.823 -9.456 1.00 0.00 C ATOM 632 SG CYS A 40 -2.074 -10.188 -9.532 1.00 0.00 S ATOM 0 H CYS A 40 2.078 -9.559 -9.734 1.00 0.00 H new ATOM 0 HA CYS A 40 0.323 -11.850 -9.788 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.023 -9.791 -8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.110 -8.835 -9.878 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.405 -10.945 -8.528 1.00 0.00 H new ATOM 637 N PRO A 41 -0.562 -12.049 -12.125 1.00 0.00 N ATOM 638 CA PRO A 41 -1.105 -12.183 -13.474 1.00 0.00 C ATOM 639 C PRO A 41 -2.383 -11.349 -13.690 1.00 0.00 C ATOM 640 O PRO A 41 -2.848 -11.246 -14.828 1.00 0.00 O ATOM 641 CB PRO A 41 -1.360 -13.685 -13.638 1.00 0.00 C ATOM 642 CG PRO A 41 -1.723 -14.137 -12.225 1.00 0.00 C ATOM 643 CD PRO A 41 -0.875 -13.229 -11.335 1.00 0.00 C ATOM 0 HA PRO A 41 -0.414 -11.798 -14.224 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.168 -13.881 -14.343 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.478 -14.204 -14.012 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.788 -14.015 -12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.487 -15.189 -12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.418 -12.957 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.036 -13.737 -11.019 1.00 0.00 H new ATOM 651 N GLN A 42 -2.964 -10.765 -12.631 1.00 0.00 N ATOM 652 CA GLN A 42 -4.237 -10.029 -12.683 1.00 0.00 C ATOM 653 C GLN A 42 -4.088 -8.502 -12.525 1.00 0.00 C ATOM 654 O GLN A 42 -4.917 -7.775 -13.080 1.00 0.00 O ATOM 655 CB GLN A 42 -5.214 -10.588 -11.633 1.00 0.00 C ATOM 656 CG GLN A 42 -5.545 -12.084 -11.773 1.00 0.00 C ATOM 657 CD GLN A 42 -6.259 -12.469 -13.072 1.00 0.00 C ATOM 658 OE1 GLN A 42 -6.815 -11.656 -13.801 1.00 0.00 O ATOM 659 NE2 GLN A 42 -6.293 -13.743 -13.407 1.00 0.00 N ATOM 0 H GLN A 42 -2.555 -10.791 -11.697 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.637 -10.184 -13.685 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.793 -10.417 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.143 -10.021 -11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.619 -12.654 -11.702 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.169 -12.383 -10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.837 -14.438 -12.816 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.775 -14.034 -14.258 1.00 0.00 H new ATOM 668 N CYS A 43 -3.069 -7.997 -11.809 1.00 0.00 N ATOM 669 CA CYS A 43 -2.835 -6.557 -11.637 1.00 0.00 C ATOM 670 C CYS A 43 -1.333 -6.191 -11.618 1.00 0.00 C ATOM 671 O CYS A 43 -0.460 -7.041 -11.818 1.00 0.00 O ATOM 672 CB CYS A 43 -3.608 -6.090 -10.390 1.00 0.00 C ATOM 673 SG CYS A 43 -2.902 -6.762 -8.871 1.00 0.00 S ATOM 0 H CYS A 43 -2.382 -8.581 -11.332 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.216 -6.016 -12.503 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.599 -5.001 -10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.651 -6.397 -10.473 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.583 -8.009 -9.055 1.00 0.00 H new ATOM 678 N SER A 44 -1.022 -4.910 -11.394 1.00 0.00 N ATOM 679 CA SER A 44 0.351 -4.363 -11.365 1.00 0.00 C ATOM 680 C SER A 44 1.182 -4.795 -10.139 1.00 0.00 C ATOM 681 O SER A 44 2.341 -4.393 -10.003 1.00 0.00 O ATOM 682 CB SER A 44 0.301 -2.830 -11.439 1.00 0.00 C ATOM 683 OG SER A 44 -0.450 -2.398 -12.566 1.00 0.00 O ATOM 0 H SER A 44 -1.734 -4.200 -11.222 1.00 0.00 H new ATOM 0 HA SER A 44 0.857 -4.780 -12.236 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.144 -2.433 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.314 -2.432 -11.498 1.00 0.00 H new ATOM 0 HG SER A 44 -0.469 -1.418 -12.591 1.00 0.00 H new ATOM 689 N TYR A 45 0.607 -5.590 -9.234 1.00 0.00 N ATOM 690 CA TYR A 45 1.222 -6.073 -7.999 1.00 0.00 C ATOM 691 C TYR A 45 2.422 -7.005 -8.235 1.00 0.00 C ATOM 692 O TYR A 45 2.441 -7.813 -9.167 1.00 0.00 O ATOM 693 CB TYR A 45 0.133 -6.782 -7.188 1.00 0.00 C ATOM 694 CG TYR A 45 0.559 -7.210 -5.794 1.00 0.00 C ATOM 695 CD1 TYR A 45 0.414 -6.301 -4.729 1.00 0.00 C ATOM 696 CD2 TYR A 45 1.091 -8.496 -5.554 1.00 0.00 C ATOM 697 CE1 TYR A 45 0.784 -6.671 -3.424 1.00 0.00 C ATOM 698 CE2 TYR A 45 1.462 -8.871 -4.246 1.00 0.00 C ATOM 699 CZ TYR A 45 1.307 -7.958 -3.179 1.00 0.00 C ATOM 700 OH TYR A 45 1.653 -8.312 -1.909 1.00 0.00 O ATOM 0 H TYR A 45 -0.348 -5.930 -9.350 1.00 0.00 H new ATOM 0 HA TYR A 45 1.628 -5.219 -7.457 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.728 -6.119 -7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.197 -7.663 -7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.016 -5.314 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.214 -9.191 -6.371 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.668 -5.971 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.864 -9.856 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 45 1.126 -9.090 -1.631 1.00 0.00 H new ATOM 710 N ALA A 46 3.410 -6.923 -7.343 1.00 0.00 N ATOM 711 CA ALA A 46 4.539 -7.849 -7.261 1.00 0.00 C ATOM 712 C ALA A 46 4.978 -8.125 -5.804 1.00 0.00 C ATOM 713 O ALA A 46 4.691 -7.346 -4.892 1.00 0.00 O ATOM 714 CB ALA A 46 5.674 -7.322 -8.150 1.00 0.00 C ATOM 0 H ALA A 46 3.447 -6.188 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 46 4.232 -8.825 -7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.523 -8.004 -8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.327 -7.253 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.979 -6.335 -7.803 1.00 0.00 H new ATOM 720 N SER A 47 5.672 -9.247 -5.595 1.00 0.00 N ATOM 721 CA SER A 47 6.035 -9.823 -4.293 1.00 0.00 C ATOM 722 C SER A 47 7.466 -10.377 -4.263 1.00 0.00 C ATOM 723 O SER A 47 8.004 -10.831 -5.276 1.00 0.00 O ATOM 724 CB SER A 47 5.065 -10.967 -3.972 1.00 0.00 C ATOM 725 OG SER A 47 5.309 -11.497 -2.685 1.00 0.00 O ATOM 0 H SER A 47 6.016 -9.811 -6.372 1.00 0.00 H new ATOM 0 HA SER A 47 5.976 -9.022 -3.556 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.039 -10.604 -4.030 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.168 -11.755 -4.718 1.00 0.00 H new ATOM 0 HG SER A 47 5.163 -12.466 -2.697 1.00 0.00 H new ATOM 731 N ALA A 48 8.062 -10.398 -3.067 1.00 0.00 N ATOM 732 CA ALA A 48 9.321 -11.087 -2.772 1.00 0.00 C ATOM 733 C ALA A 48 9.128 -12.572 -2.389 1.00 0.00 C ATOM 734 O ALA A 48 10.112 -13.302 -2.250 1.00 0.00 O ATOM 735 CB ALA A 48 10.046 -10.296 -1.675 1.00 0.00 C ATOM 0 H ALA A 48 7.670 -9.922 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 48 9.929 -11.117 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.989 -10.787 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.244 -9.283 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.421 -10.254 -0.783 1.00 0.00 H new ATOM 741 N ILE A 49 7.877 -13.020 -2.204 1.00 0.00 N ATOM 742 CA ILE A 49 7.517 -14.342 -1.661 1.00 0.00 C ATOM 743 C ILE A 49 6.339 -14.947 -2.438 1.00 0.00 C ATOM 744 O ILE A 49 5.294 -14.306 -2.594 1.00 0.00 O ATOM 745 CB ILE A 49 7.162 -14.255 -0.153 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.061 -13.268 0.627 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.184 -15.667 0.462 1.00 0.00 C ATOM 748 CD1 ILE A 49 7.785 -13.202 2.133 1.00 0.00 C ATOM 0 H ILE A 49 7.060 -12.455 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 49 8.387 -14.989 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 49 6.155 -13.846 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.103 -13.549 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.935 -12.271 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.935 -15.606 1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.454 -16.297 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.178 -16.098 0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.463 -12.485 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.755 -12.888 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.941 -14.186 2.575 1.00 0.00 H new ATOM 760 N LYS A 50 6.461 -16.213 -2.851 1.00 0.00 N ATOM 761 CA LYS A 50 5.410 -16.936 -3.595 1.00 0.00 C ATOM 762 C LYS A 50 4.150 -17.182 -2.751 1.00 0.00 C ATOM 763 O LYS A 50 3.036 -17.080 -3.258 1.00 0.00 O ATOM 764 CB LYS A 50 6.002 -18.246 -4.147 1.00 0.00 C ATOM 765 CG LYS A 50 5.226 -18.752 -5.371 1.00 0.00 C ATOM 766 CD LYS A 50 5.831 -20.055 -5.912 1.00 0.00 C ATOM 767 CE LYS A 50 5.050 -20.528 -7.144 1.00 0.00 C ATOM 768 NZ LYS A 50 5.605 -21.795 -7.690 1.00 0.00 N ATOM 0 H LYS A 50 7.296 -16.774 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 50 5.080 -16.313 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.046 -18.087 -4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.988 -19.008 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.183 -18.917 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.237 -17.991 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.877 -19.898 -6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.807 -20.824 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.003 -20.673 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.079 -19.756 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.053 -22.086 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.597 -21.649 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.554 -22.538 -6.964 1.00 0.00 H new ATOM 782 N ALA A 51 4.312 -17.420 -1.446 1.00 0.00 N ATOM 783 CA ALA A 51 3.208 -17.563 -0.489 1.00 0.00 C ATOM 784 C ALA A 51 2.491 -16.227 -0.182 1.00 0.00 C ATOM 785 O ALA A 51 1.286 -16.219 0.069 1.00 0.00 O ATOM 786 CB ALA A 51 3.765 -18.207 0.785 1.00 0.00 C ATOM 0 H ALA A 51 5.231 -17.521 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 51 2.442 -18.198 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.963 -18.325 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.184 -19.184 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.545 -17.571 1.203 1.00 0.00 H new ATOM 792 N ASN A 52 3.181 -15.082 -0.268 1.00 0.00 N ATOM 793 CA ASN A 52 2.520 -13.772 -0.206 1.00 0.00 C ATOM 794 C ASN A 52 1.742 -13.488 -1.506 1.00 0.00 C ATOM 795 O ASN A 52 0.614 -12.996 -1.448 1.00 0.00 O ATOM 796 CB ASN A 52 3.554 -12.686 0.128 1.00 0.00 C ATOM 797 CG ASN A 52 2.931 -11.298 0.115 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.075 -10.965 0.923 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.316 -10.467 -0.823 1.00 0.00 N ATOM 0 H ASN A 52 4.194 -15.036 -0.380 1.00 0.00 H new ATOM 0 HA ASN A 52 1.780 -13.771 0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.985 -12.883 1.109 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.371 -12.726 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.901 -9.537 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.030 -10.750 -1.494 1.00 0.00 H new ATOM 806 N LEU A 53 2.279 -13.883 -2.670 1.00 0.00 N ATOM 807 CA LEU A 53 1.532 -13.829 -3.931 1.00 0.00 C ATOM 808 C LEU A 53 0.311 -14.773 -3.928 1.00 0.00 C ATOM 809 O LEU A 53 -0.736 -14.406 -4.450 1.00 0.00 O ATOM 810 CB LEU A 53 2.482 -14.089 -5.114 1.00 0.00 C ATOM 811 CG LEU A 53 1.790 -14.005 -6.491 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.136 -12.645 -6.745 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.807 -14.235 -7.603 1.00 0.00 C ATOM 0 H LEU A 53 3.229 -14.243 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 53 1.121 -12.826 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.296 -13.365 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.928 -15.077 -5.001 1.00 0.00 H new ATOM 0 HG LEU A 53 1.017 -14.773 -6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.666 -12.645 -7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.381 -12.456 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.895 -11.863 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.308 -14.174 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.586 -13.474 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.255 -15.222 -7.488 1.00 0.00 H new ATOM 825 N ASN A 54 0.390 -15.941 -3.282 1.00 0.00 N ATOM 826 CA ASN A 54 -0.756 -16.833 -3.064 1.00 0.00 C ATOM 827 C ASN A 54 -1.893 -16.120 -2.303 1.00 0.00 C ATOM 828 O ASN A 54 -3.032 -16.099 -2.771 1.00 0.00 O ATOM 829 CB ASN A 54 -0.257 -18.092 -2.330 1.00 0.00 C ATOM 830 CG ASN A 54 -1.356 -19.089 -2.023 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.098 -18.957 -1.059 1.00 0.00 O ATOM 832 ND2 ASN A 54 -1.489 -20.119 -2.823 1.00 0.00 N ATOM 0 H ASN A 54 1.261 -16.299 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.185 -17.127 -4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.505 -18.579 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.222 -17.793 -1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.213 -20.814 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.868 -20.225 -3.625 1.00 0.00 H new ATOM 839 N VAL A 55 -1.580 -15.461 -1.181 1.00 0.00 N ATOM 840 CA VAL A 55 -2.542 -14.658 -0.395 1.00 0.00 C ATOM 841 C VAL A 55 -3.084 -13.468 -1.199 1.00 0.00 C ATOM 842 O VAL A 55 -4.262 -13.133 -1.082 1.00 0.00 O ATOM 843 CB VAL A 55 -1.896 -14.203 0.929 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.764 -13.231 1.737 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.625 -15.416 1.828 1.00 0.00 C ATOM 0 H VAL A 55 -0.641 -15.467 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.399 -15.289 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.979 -13.690 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.244 -12.955 2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.955 -12.336 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.711 -13.710 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.169 -15.083 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.564 -15.925 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.949 -16.103 1.318 1.00 0.00 H new ATOM 855 N HIS A 56 -2.273 -12.867 -2.071 1.00 0.00 N ATOM 856 CA HIS A 56 -2.716 -11.811 -2.988 1.00 0.00 C ATOM 857 C HIS A 56 -3.680 -12.326 -4.082 1.00 0.00 C ATOM 858 O HIS A 56 -4.706 -11.701 -4.348 1.00 0.00 O ATOM 859 CB HIS A 56 -1.486 -11.116 -3.583 1.00 0.00 C ATOM 860 CG HIS A 56 -1.870 -10.038 -4.554 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.370 -8.801 -4.230 1.00 0.00 N ATOM 862 CD2 HIS A 56 -1.924 -10.159 -5.915 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.731 -8.184 -5.362 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.487 -8.976 -6.433 1.00 0.00 N ATOM 0 H HIS A 56 -1.284 -13.099 -2.163 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.298 -11.086 -2.419 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.888 -10.686 -2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.860 -11.853 -4.087 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.452 -8.418 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.594 -11.011 -6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.157 -7.193 -5.414 1.00 0.00 H new ATOM 872 N LEU A 57 -3.421 -13.491 -4.683 1.00 0.00 N ATOM 873 CA LEU A 57 -4.332 -14.150 -5.636 1.00 0.00 C ATOM 874 C LEU A 57 -5.663 -14.558 -4.982 1.00 0.00 C ATOM 875 O LEU A 57 -6.720 -14.484 -5.612 1.00 0.00 O ATOM 876 CB LEU A 57 -3.627 -15.382 -6.217 1.00 0.00 C ATOM 877 CG LEU A 57 -2.496 -15.068 -7.211 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.655 -16.327 -7.423 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.051 -14.618 -8.561 1.00 0.00 C ATOM 0 H LEU A 57 -2.561 -14.014 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.574 -13.441 -6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.217 -15.970 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.368 -16.006 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.892 -14.261 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.851 -16.113 -8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.229 -16.645 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.285 -17.122 -7.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.226 -14.404 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.671 -15.410 -8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.652 -13.719 -8.426 1.00 0.00 H new ATOM 891 N ARG A 58 -5.640 -14.886 -3.685 1.00 0.00 N ATOM 892 CA ARG A 58 -6.841 -15.121 -2.856 1.00 0.00 C ATOM 893 C ARG A 58 -7.711 -13.864 -2.645 1.00 0.00 C ATOM 894 O ARG A 58 -8.839 -13.993 -2.168 1.00 0.00 O ATOM 895 CB ARG A 58 -6.428 -15.820 -1.544 1.00 0.00 C ATOM 896 CG ARG A 58 -6.048 -17.293 -1.798 1.00 0.00 C ATOM 897 CD ARG A 58 -5.011 -17.844 -0.815 1.00 0.00 C ATOM 898 NE ARG A 58 -5.468 -17.869 0.586 1.00 0.00 N ATOM 899 CZ ARG A 58 -4.733 -18.262 1.613 1.00 0.00 C ATOM 900 NH1 ARG A 58 -3.508 -18.687 1.466 1.00 0.00 N ATOM 901 NH2 ARG A 58 -5.220 -18.235 2.820 1.00 0.00 N ATOM 0 H ARG A 58 -4.770 -14.999 -3.166 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.505 -15.790 -3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.583 -15.295 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.248 -15.771 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.948 -17.905 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.660 -17.388 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.741 -18.856 -1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.106 -17.240 -0.881 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.421 -17.561 0.778 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.089 -18.724 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.970 -18.983 2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.174 -17.909 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.648 -18.539 3.608 1.00 0.00 H new ATOM 915 N LYS A 59 -7.248 -12.672 -3.060 1.00 0.00 N ATOM 916 CA LYS A 59 -8.062 -11.437 -3.165 1.00 0.00 C ATOM 917 C LYS A 59 -8.775 -11.319 -4.523 1.00 0.00 C ATOM 918 O LYS A 59 -9.825 -10.681 -4.610 1.00 0.00 O ATOM 919 CB LYS A 59 -7.201 -10.180 -2.925 1.00 0.00 C ATOM 920 CG LYS A 59 -6.386 -10.215 -1.625 1.00 0.00 C ATOM 921 CD LYS A 59 -5.672 -8.878 -1.375 1.00 0.00 C ATOM 922 CE LYS A 59 -4.789 -8.915 -0.118 1.00 0.00 C ATOM 923 NZ LYS A 59 -5.586 -8.989 1.137 1.00 0.00 N ATOM 0 H LYS A 59 -6.277 -12.532 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.824 -11.507 -2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.518 -10.055 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.851 -9.305 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.045 -10.440 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.651 -11.018 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.058 -8.629 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.414 -8.086 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.122 -9.775 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.160 -8.025 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.944 -9.012 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.204 -8.156 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.167 -9.852 1.129 1.00 0.00 H new ATOM 937 N HIS A 60 -8.218 -11.929 -5.576 1.00 0.00 N ATOM 938 CA HIS A 60 -8.742 -11.902 -6.950 1.00 0.00 C ATOM 939 C HIS A 60 -9.770 -13.009 -7.249 1.00 0.00 C ATOM 940 O HIS A 60 -10.639 -12.821 -8.106 1.00 0.00 O ATOM 941 CB HIS A 60 -7.573 -12.016 -7.939 1.00 0.00 C ATOM 942 CG HIS A 60 -6.713 -10.782 -8.038 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.121 -9.553 -8.502 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.374 -10.690 -7.769 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.064 -8.729 -8.513 1.00 0.00 C ATOM 946 NE2 HIS A 60 -4.954 -9.379 -8.093 1.00 0.00 N ATOM 0 H HIS A 60 -7.360 -12.474 -5.494 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.268 -10.954 -7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.946 -12.857 -7.645 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.971 -12.246 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.749 -11.479 -7.378 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.094 -7.692 -8.815 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.009 -9.001 -8.024 1.00 0.00 H new ATOM 1012 N PHE A 65 -21.602 -20.043 -5.027 1.00 0.00 N ATOM 1013 CA PHE A 65 -22.976 -20.330 -4.614 1.00 0.00 C ATOM 1014 C PHE A 65 -23.118 -21.810 -4.222 1.00 0.00 C ATOM 1015 O PHE A 65 -22.357 -22.654 -4.704 1.00 0.00 O ATOM 1016 CB PHE A 65 -23.932 -19.958 -5.761 1.00 0.00 C ATOM 1017 CG PHE A 65 -23.728 -18.564 -6.330 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -23.937 -17.429 -5.525 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -23.288 -18.405 -7.659 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -23.708 -16.141 -6.046 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -23.068 -17.117 -8.182 1.00 0.00 C ATOM 1022 CZ PHE A 65 -23.282 -15.986 -7.376 1.00 0.00 C ATOM 0 HA PHE A 65 -23.232 -19.735 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.814 -20.685 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -24.958 -20.043 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -24.274 -17.546 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -23.119 -19.274 -8.278 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -23.860 -15.272 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -22.735 -16.998 -9.202 1.00 0.00 H new ATOM 0 HZ PHE A 65 -23.119 -14.997 -7.779 1.00 0.00 H new ATOM 1032 N ALA A 66 -24.085 -22.137 -3.359 1.00 0.00 N ATOM 1033 CA ALA A 66 -24.285 -23.480 -2.808 1.00 0.00 C ATOM 1034 C ALA A 66 -25.703 -24.028 -3.051 1.00 0.00 C ATOM 1035 O ALA A 66 -26.688 -23.283 -3.007 1.00 0.00 O ATOM 1036 CB ALA A 66 -23.941 -23.452 -1.313 1.00 0.00 C ATOM 0 H ALA A 66 -24.766 -21.459 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 66 -23.620 -24.167 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -24.085 -24.445 -0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -22.902 -23.149 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -24.592 -22.741 -0.803 1.00 0.00 H new ATOM 1042 N CYS A 67 -25.798 -25.342 -3.265 1.00 0.00 N ATOM 1043 CA CYS A 67 -27.047 -26.082 -3.412 1.00 0.00 C ATOM 1044 C CYS A 67 -27.875 -26.057 -2.110 1.00 0.00 C ATOM 1045 O CYS A 67 -27.341 -26.132 -0.999 1.00 0.00 O ATOM 1046 CB CYS A 67 -26.678 -27.495 -3.883 1.00 0.00 C ATOM 1047 SG CYS A 67 -28.157 -28.485 -4.249 1.00 0.00 S ATOM 0 H CYS A 67 -24.975 -25.939 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 67 -27.698 -25.620 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -26.053 -27.431 -4.774 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -26.087 -27.993 -3.114 1.00 0.00 H new ATOM 0 HG CYS A 67 -27.929 -29.240 -5.283 1.00 0.00 H new ATOM 1052 N ASP A 68 -29.197 -25.947 -2.255 1.00 0.00 N ATOM 1053 CA ASP A 68 -30.157 -25.979 -1.144 1.00 0.00 C ATOM 1054 C ASP A 68 -30.553 -27.418 -0.744 1.00 0.00 C ATOM 1055 O ASP A 68 -31.236 -27.623 0.263 1.00 0.00 O ATOM 1056 CB ASP A 68 -31.378 -25.124 -1.525 1.00 0.00 C ATOM 1057 CG ASP A 68 -32.306 -24.842 -0.331 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -31.844 -24.243 0.670 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -33.518 -25.163 -0.408 1.00 0.00 O ATOM 0 H ASP A 68 -29.642 -25.831 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 68 -29.685 -25.558 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -31.036 -24.178 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -31.943 -25.633 -2.306 1.00 0.00 H new ATOM 1064 N TYR A 69 -30.115 -28.417 -1.520 1.00 0.00 N ATOM 1065 CA TYR A 69 -30.557 -29.816 -1.429 1.00 0.00 C ATOM 1066 C TYR A 69 -29.416 -30.818 -1.156 1.00 0.00 C ATOM 1067 O TYR A 69 -29.681 -31.907 -0.637 1.00 0.00 O ATOM 1068 CB TYR A 69 -31.271 -30.177 -2.736 1.00 0.00 C ATOM 1069 CG TYR A 69 -32.441 -29.289 -3.108 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -33.735 -29.600 -2.646 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -32.235 -28.160 -3.925 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -34.822 -28.782 -3.003 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -33.320 -27.332 -4.271 1.00 0.00 C ATOM 1074 CZ TYR A 69 -34.617 -27.646 -3.815 1.00 0.00 C ATOM 1075 OH TYR A 69 -35.681 -26.879 -4.182 1.00 0.00 O ATOM 0 H TYR A 69 -29.421 -28.270 -2.253 1.00 0.00 H new ATOM 0 HA TYR A 69 -31.225 -29.894 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -30.543 -30.148 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.626 -31.205 -2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -33.892 -30.465 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.244 -27.929 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.815 -29.024 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.159 -26.458 -4.885 1.00 0.00 H new ATOM 0 HH TYR A 69 -35.371 -26.135 -4.739 1.00 0.00 H new ATOM 1085 N CYS A 70 -28.164 -30.472 -1.491 1.00 0.00 N ATOM 1086 CA CYS A 70 -26.958 -31.272 -1.229 1.00 0.00 C ATOM 1087 C CYS A 70 -25.718 -30.389 -0.924 1.00 0.00 C ATOM 1088 O CYS A 70 -25.830 -29.177 -0.726 1.00 0.00 O ATOM 1089 CB CYS A 70 -26.728 -32.256 -2.390 1.00 0.00 C ATOM 1090 SG CYS A 70 -26.112 -31.415 -3.870 1.00 0.00 S ATOM 0 H CYS A 70 -27.956 -29.595 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 70 -27.116 -31.855 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -26.015 -33.021 -2.083 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -27.662 -32.767 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 70 -26.807 -30.336 -4.077 1.00 0.00 H new ATOM 1095 N SER A 71 -24.532 -31.004 -0.872 1.00 0.00 N ATOM 1096 CA SER A 71 -23.245 -30.348 -0.574 1.00 0.00 C ATOM 1097 C SER A 71 -22.590 -29.634 -1.775 1.00 0.00 C ATOM 1098 O SER A 71 -21.505 -29.065 -1.630 1.00 0.00 O ATOM 1099 CB SER A 71 -22.263 -31.370 0.018 1.00 0.00 C ATOM 1100 OG SER A 71 -22.819 -32.013 1.159 1.00 0.00 O ATOM 0 H SER A 71 -24.433 -32.005 -1.041 1.00 0.00 H new ATOM 0 HA SER A 71 -23.477 -29.564 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.010 -32.115 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 71 -21.335 -30.869 0.295 1.00 0.00 H new ATOM 0 HG SER A 71 -22.175 -32.660 1.516 1.00 0.00 H new ATOM 1106 N PHE A 72 -23.203 -29.668 -2.966 1.00 0.00 N ATOM 1107 CA PHE A 72 -22.650 -29.087 -4.201 1.00 0.00 C ATOM 1108 C PHE A 72 -22.475 -27.556 -4.142 1.00 0.00 C ATOM 1109 O PHE A 72 -23.300 -26.839 -3.567 1.00 0.00 O ATOM 1110 CB PHE A 72 -23.554 -29.486 -5.376 1.00 0.00 C ATOM 1111 CG PHE A 72 -23.141 -28.947 -6.734 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -22.141 -29.594 -7.484 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -23.767 -27.799 -7.255 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -21.773 -29.097 -8.748 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -23.403 -27.302 -8.519 1.00 0.00 C ATOM 1116 CZ PHE A 72 -22.405 -27.953 -9.268 1.00 0.00 C ATOM 0 H PHE A 72 -24.113 -30.107 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 72 -21.645 -29.487 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -23.588 -30.574 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -24.568 -29.146 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -21.655 -30.474 -7.089 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -24.531 -27.297 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -21.004 -29.595 -9.320 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -23.889 -26.422 -8.914 1.00 0.00 H new ATOM 0 HZ PHE A 72 -22.125 -27.575 -10.240 1.00 0.00 H new ATOM 1126 N THR A 73 -21.427 -27.050 -4.801 1.00 0.00 N ATOM 1127 CA THR A 73 -21.144 -25.614 -4.985 1.00 0.00 C ATOM 1128 C THR A 73 -20.669 -25.299 -6.409 1.00 0.00 C ATOM 1129 O THR A 73 -20.031 -26.129 -7.062 1.00 0.00 O ATOM 1130 CB THR A 73 -20.096 -25.086 -3.984 1.00 0.00 C ATOM 1131 OG1 THR A 73 -18.896 -25.830 -4.065 1.00 0.00 O ATOM 1132 CG2 THR A 73 -20.567 -25.139 -2.532 1.00 0.00 C ATOM 0 H THR A 73 -20.725 -27.647 -5.238 1.00 0.00 H new ATOM 0 HA THR A 73 -22.092 -25.108 -4.801 1.00 0.00 H new ATOM 0 HB THR A 73 -19.935 -24.045 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 73 -18.247 -25.475 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 73 -19.783 -24.753 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 73 -21.465 -24.531 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 73 -20.790 -26.170 -2.259 1.00 0.00 H new ATOM 1140 N CYS A 74 -20.972 -24.091 -6.900 1.00 0.00 N ATOM 1141 CA CYS A 74 -20.511 -23.584 -8.198 1.00 0.00 C ATOM 1142 C CYS A 74 -20.308 -22.057 -8.178 1.00 0.00 C ATOM 1143 O CYS A 74 -21.023 -21.342 -7.475 1.00 0.00 O ATOM 1144 CB CYS A 74 -21.522 -24.006 -9.275 1.00 0.00 C ATOM 1145 SG CYS A 74 -20.829 -23.728 -10.929 1.00 0.00 S ATOM 0 H CYS A 74 -21.557 -23.425 -6.395 1.00 0.00 H new ATOM 0 HA CYS A 74 -19.536 -24.015 -8.426 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -21.777 -25.059 -9.152 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -22.445 -23.438 -9.160 1.00 0.00 H new ATOM 0 HG CYS A 74 -21.471 -24.453 -11.796 1.00 0.00 H new ATOM 1151 N LEU A 75 -19.373 -21.534 -8.980 1.00 0.00 N ATOM 1152 CA LEU A 75 -19.161 -20.086 -9.159 1.00 0.00 C ATOM 1153 C LEU A 75 -20.150 -19.450 -10.164 1.00 0.00 C ATOM 1154 O LEU A 75 -20.200 -18.225 -10.289 1.00 0.00 O ATOM 1155 CB LEU A 75 -17.689 -19.805 -9.537 1.00 0.00 C ATOM 1156 CG LEU A 75 -16.692 -19.853 -8.360 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -16.408 -21.269 -7.851 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -15.356 -19.246 -8.792 1.00 0.00 C ATOM 0 H LEU A 75 -18.734 -22.107 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.370 -19.605 -8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.377 -20.532 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.631 -18.821 -10.003 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.160 -19.290 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.699 -21.223 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.337 -21.725 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.986 -21.868 -8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.654 -19.281 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.953 -19.814 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.508 -18.210 -9.095 1.00 0.00 H new ATOM 1170 N SER A 76 -20.958 -20.262 -10.857 1.00 0.00 N ATOM 1171 CA SER A 76 -22.023 -19.829 -11.772 1.00 0.00 C ATOM 1172 C SER A 76 -23.405 -20.189 -11.221 1.00 0.00 C ATOM 1173 O SER A 76 -23.705 -21.358 -10.960 1.00 0.00 O ATOM 1174 CB SER A 76 -21.806 -20.449 -13.155 1.00 0.00 C ATOM 1175 OG SER A 76 -22.916 -20.198 -14.009 1.00 0.00 O ATOM 0 H SER A 76 -20.886 -21.277 -10.794 1.00 0.00 H new ATOM 0 HA SER A 76 -21.981 -18.744 -11.864 1.00 0.00 H new ATOM 0 HB2 SER A 76 -20.900 -20.040 -13.602 1.00 0.00 H new ATOM 0 HB3 SER A 76 -21.656 -21.524 -13.055 1.00 0.00 H new ATOM 0 HG SER A 76 -22.981 -20.910 -14.679 1.00 0.00 H new ATOM 1181 N LYS A 77 -24.276 -19.179 -11.087 1.00 0.00 N ATOM 1182 CA LYS A 77 -25.667 -19.347 -10.631 1.00 0.00 C ATOM 1183 C LYS A 77 -26.523 -20.091 -11.665 1.00 0.00 C ATOM 1184 O LYS A 77 -27.390 -20.879 -11.293 1.00 0.00 O ATOM 1185 CB LYS A 77 -26.240 -17.960 -10.284 1.00 0.00 C ATOM 1186 CG LYS A 77 -27.514 -18.056 -9.430 1.00 0.00 C ATOM 1187 CD LYS A 77 -28.141 -16.683 -9.132 1.00 0.00 C ATOM 1188 CE LYS A 77 -27.234 -15.704 -8.367 1.00 0.00 C ATOM 1189 NZ LYS A 77 -26.909 -16.183 -6.996 1.00 0.00 N ATOM 0 H LYS A 77 -24.034 -18.210 -11.294 1.00 0.00 H new ATOM 0 HA LYS A 77 -25.684 -19.971 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -25.488 -17.382 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -26.461 -17.419 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -28.245 -18.679 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -27.278 -18.554 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -28.433 -16.222 -10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -29.053 -16.835 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -26.310 -15.557 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -27.725 -14.733 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -27.352 -15.556 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -27.270 -17.151 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.878 -16.178 -6.862 1.00 0.00 H new ATOM 1203 N GLY A 78 -26.232 -19.911 -12.958 1.00 0.00 N ATOM 1204 CA GLY A 78 -26.873 -20.647 -14.053 1.00 0.00 C ATOM 1205 C GLY A 78 -26.556 -22.145 -14.017 1.00 0.00 C ATOM 1206 O GLY A 78 -27.465 -22.971 -14.094 1.00 0.00 O ATOM 0 H GLY A 78 -25.534 -19.240 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -27.952 -20.506 -13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.545 -20.232 -15.006 1.00 0.00 H new ATOM 1210 N HIS A 79 -25.290 -22.513 -13.797 1.00 0.00 N ATOM 1211 CA HIS A 79 -24.896 -23.920 -13.645 1.00 0.00 C ATOM 1212 C HIS A 79 -25.439 -24.541 -12.346 1.00 0.00 C ATOM 1213 O HIS A 79 -25.820 -25.713 -12.344 1.00 0.00 O ATOM 1214 CB HIS A 79 -23.373 -24.052 -13.743 1.00 0.00 C ATOM 1215 CG HIS A 79 -22.840 -23.788 -15.131 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -22.573 -22.559 -15.689 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -22.550 -24.730 -16.083 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -22.130 -22.749 -16.943 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -22.099 -24.063 -17.232 1.00 0.00 N ATOM 0 H HIS A 79 -24.516 -21.853 -13.720 1.00 0.00 H new ATOM 0 HA HIS A 79 -25.346 -24.485 -14.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -22.909 -23.356 -13.044 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -23.081 -25.056 -13.434 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -22.651 -25.799 -15.969 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -21.840 -21.960 -17.622 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -21.806 -24.489 -18.111 1.00 0.00 H new ATOM 1227 N LEU A 80 -25.569 -23.760 -11.264 1.00 0.00 N ATOM 1228 CA LEU A 80 -26.248 -24.203 -10.041 1.00 0.00 C ATOM 1229 C LEU A 80 -27.754 -24.446 -10.270 1.00 0.00 C ATOM 1230 O LEU A 80 -28.286 -25.456 -9.808 1.00 0.00 O ATOM 1231 CB LEU A 80 -25.982 -23.189 -8.913 1.00 0.00 C ATOM 1232 CG LEU A 80 -26.623 -23.577 -7.566 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -26.105 -24.914 -7.037 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -26.311 -22.509 -6.524 1.00 0.00 C ATOM 0 H LEU A 80 -25.208 -22.808 -11.213 1.00 0.00 H new ATOM 0 HA LEU A 80 -25.839 -25.168 -9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -24.906 -23.085 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -26.360 -22.213 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.696 -23.664 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.588 -25.141 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -26.331 -25.702 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -25.026 -24.854 -6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.765 -22.785 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -25.231 -22.426 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -26.713 -21.551 -6.853 1.00 0.00 H new ATOM 1246 N LYS A 81 -28.438 -23.588 -11.038 1.00 0.00 N ATOM 1247 CA LYS A 81 -29.840 -23.803 -11.438 1.00 0.00 C ATOM 1248 C LYS A 81 -29.998 -25.078 -12.275 1.00 0.00 C ATOM 1249 O LYS A 81 -30.903 -25.868 -12.011 1.00 0.00 O ATOM 1250 CB LYS A 81 -30.369 -22.553 -12.161 1.00 0.00 C ATOM 1251 CG LYS A 81 -31.875 -22.647 -12.455 1.00 0.00 C ATOM 1252 CD LYS A 81 -32.391 -21.363 -13.118 1.00 0.00 C ATOM 1253 CE LYS A 81 -33.892 -21.488 -13.406 1.00 0.00 C ATOM 1254 NZ LYS A 81 -34.431 -20.262 -14.050 1.00 0.00 N ATOM 0 H LYS A 81 -28.037 -22.723 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 81 -30.445 -23.956 -10.544 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -30.174 -21.672 -11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -29.825 -22.419 -13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -32.069 -23.499 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -32.419 -22.825 -11.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -32.207 -20.509 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -31.848 -21.179 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -34.068 -22.347 -14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -34.427 -21.676 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -35.448 -20.383 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -34.285 -19.447 -13.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -33.937 -20.097 -14.951 1.00 0.00 H new ATOM 1268 N VAL A 82 -29.083 -25.337 -13.214 1.00 0.00 N ATOM 1269 CA VAL A 82 -29.049 -26.587 -14.002 1.00 0.00 C ATOM 1270 C VAL A 82 -28.804 -27.812 -13.110 1.00 0.00 C ATOM 1271 O VAL A 82 -29.497 -28.815 -13.269 1.00 0.00 O ATOM 1272 CB VAL A 82 -28.021 -26.490 -15.149 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -27.814 -27.823 -15.880 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -28.489 -25.475 -16.202 1.00 0.00 C ATOM 0 H VAL A 82 -28.337 -24.685 -13.455 1.00 0.00 H new ATOM 0 HA VAL A 82 -30.031 -26.722 -14.456 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.085 -26.187 -14.680 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.080 -27.692 -16.675 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -27.454 -28.573 -15.175 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -28.760 -28.153 -16.310 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -27.753 -25.418 -17.004 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -29.448 -25.791 -16.611 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -28.598 -24.494 -15.739 1.00 0.00 H new ATOM 1284 N HIS A 83 -27.905 -27.735 -12.121 1.00 0.00 N ATOM 1285 CA HIS A 83 -27.717 -28.794 -11.120 1.00 0.00 C ATOM 1286 C HIS A 83 -29.020 -29.086 -10.350 1.00 0.00 C ATOM 1287 O HIS A 83 -29.408 -30.247 -10.217 1.00 0.00 O ATOM 1288 CB HIS A 83 -26.568 -28.412 -10.167 1.00 0.00 C ATOM 1289 CG HIS A 83 -26.483 -29.279 -8.932 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -25.810 -30.470 -8.815 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -27.080 -29.033 -7.724 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -25.994 -30.941 -7.572 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -26.781 -30.104 -6.855 1.00 0.00 N ATOM 0 H HIS A 83 -27.286 -26.935 -11.992 1.00 0.00 H new ATOM 0 HA HIS A 83 -27.448 -29.715 -11.636 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -25.624 -28.474 -10.708 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -26.692 -27.373 -9.862 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -25.263 -30.920 -9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -27.677 -28.167 -7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -25.572 -31.861 -7.195 1.00 0.00 H new ATOM 1301 N ILE A 84 -29.733 -28.054 -9.888 1.00 0.00 N ATOM 1302 CA ILE A 84 -31.007 -28.219 -9.168 1.00 0.00 C ATOM 1303 C ILE A 84 -32.082 -28.835 -10.079 1.00 0.00 C ATOM 1304 O ILE A 84 -32.750 -29.784 -9.671 1.00 0.00 O ATOM 1305 CB ILE A 84 -31.436 -26.885 -8.508 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -30.425 -26.499 -7.399 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -32.848 -26.998 -7.901 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -30.577 -25.067 -6.870 1.00 0.00 C ATOM 0 H ILE A 84 -29.447 -27.081 -10.000 1.00 0.00 H new ATOM 0 HA ILE A 84 -30.869 -28.931 -8.354 1.00 0.00 H new ATOM 0 HB ILE A 84 -31.451 -26.113 -9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -30.535 -27.194 -6.567 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -29.414 -26.624 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -33.125 -26.048 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -33.563 -27.245 -8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -32.857 -27.781 -7.143 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -29.830 -24.883 -6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -30.435 -24.360 -7.688 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -31.574 -24.939 -6.448 1.00 0.00 H new ATOM 1320 N GLU A 85 -32.205 -28.379 -11.327 1.00 0.00 N ATOM 1321 CA GLU A 85 -33.178 -28.916 -12.291 1.00 0.00 C ATOM 1322 C GLU A 85 -32.887 -30.365 -12.732 1.00 0.00 C ATOM 1323 O GLU A 85 -33.824 -31.118 -13.007 1.00 0.00 O ATOM 1324 CB GLU A 85 -33.256 -27.995 -13.521 1.00 0.00 C ATOM 1325 CG GLU A 85 -34.006 -26.678 -13.253 1.00 0.00 C ATOM 1326 CD GLU A 85 -35.505 -26.861 -12.930 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -36.099 -27.908 -13.287 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -36.108 -25.938 -12.332 1.00 0.00 O ATOM 0 H GLU A 85 -31.632 -27.624 -11.703 1.00 0.00 H new ATOM 0 HA GLU A 85 -34.138 -28.945 -11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -32.245 -27.766 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -33.751 -28.527 -14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -33.526 -26.162 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -33.910 -26.033 -14.126 1.00 0.00 H new ATOM 1335 N ARG A 86 -31.612 -30.784 -12.779 1.00 0.00 N ATOM 1336 CA ARG A 86 -31.208 -32.152 -13.159 1.00 0.00 C ATOM 1337 C ARG A 86 -31.225 -33.147 -11.995 1.00 0.00 C ATOM 1338 O ARG A 86 -31.615 -34.300 -12.192 1.00 0.00 O ATOM 1339 CB ARG A 86 -29.823 -32.129 -13.829 1.00 0.00 C ATOM 1340 CG ARG A 86 -29.878 -31.527 -15.242 1.00 0.00 C ATOM 1341 CD ARG A 86 -28.493 -31.595 -15.900 1.00 0.00 C ATOM 1342 NE ARG A 86 -28.511 -31.066 -17.278 1.00 0.00 N ATOM 1343 CZ ARG A 86 -28.841 -31.715 -18.384 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -29.217 -32.964 -18.377 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -28.799 -31.111 -19.536 1.00 0.00 N ATOM 0 H ARG A 86 -30.823 -30.178 -12.552 1.00 0.00 H new ATOM 0 HA ARG A 86 -31.957 -32.507 -13.867 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -29.133 -31.551 -13.215 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -29.429 -33.144 -13.882 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -30.604 -32.069 -15.848 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -30.214 -30.491 -15.191 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -27.779 -31.028 -15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -28.148 -32.629 -15.913 1.00 0.00 H new ATOM 0 HE ARG A 86 -28.238 -30.090 -17.391 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -29.265 -33.477 -17.497 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -29.463 -33.427 -19.252 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -28.511 -30.134 -19.589 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -29.054 -31.615 -20.386 1.00 0.00 H new ATOM 1359 N VAL A 87 -30.796 -32.730 -10.800 1.00 0.00 N ATOM 1360 CA VAL A 87 -30.550 -33.622 -9.647 1.00 0.00 C ATOM 1361 C VAL A 87 -31.674 -33.578 -8.600 1.00 0.00 C ATOM 1362 O VAL A 87 -31.940 -34.589 -7.947 1.00 0.00 O ATOM 1363 CB VAL A 87 -29.172 -33.318 -9.012 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -28.785 -34.329 -7.926 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -28.042 -33.354 -10.057 1.00 0.00 C ATOM 0 H VAL A 87 -30.605 -31.749 -10.596 1.00 0.00 H new ATOM 0 HA VAL A 87 -30.541 -34.642 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 87 -29.281 -32.323 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -27.810 -34.067 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -29.530 -34.312 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -28.740 -35.328 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -27.091 -33.136 -9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -27.999 -34.344 -10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -28.236 -32.608 -10.828 1.00 0.00 H new ATOM 1375 N HIS A 88 -32.365 -32.440 -8.450 1.00 0.00 N ATOM 1376 CA HIS A 88 -33.305 -32.178 -7.345 1.00 0.00 C ATOM 1377 C HIS A 88 -34.715 -31.732 -7.789 1.00 0.00 C ATOM 1378 O HIS A 88 -35.489 -31.209 -6.981 1.00 0.00 O ATOM 1379 CB HIS A 88 -32.666 -31.169 -6.380 1.00 0.00 C ATOM 1380 CG HIS A 88 -31.281 -31.541 -5.908 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -30.938 -32.600 -5.098 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -30.137 -30.832 -6.140 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -29.625 -32.522 -4.825 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -29.080 -31.445 -5.435 1.00 0.00 N ATOM 0 H HIS A 88 -32.287 -31.660 -9.103 1.00 0.00 H new ATOM 0 HA HIS A 88 -33.479 -33.128 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -32.620 -30.197 -6.870 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -33.314 -31.057 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -30.055 -29.951 -6.759 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -29.082 -33.220 -4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -28.108 -31.140 -5.394 1.00 0.00 H new