USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 28 SER OG : rot 180:sc= 0.0758 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -4.48! C(o=-4.6!,f=-7!) USER MOD Set 1.3: A 61 SER OG : rot 155:sc= -0.211 USER MOD Set 2.1: A 12 CYS SG : rot -160:sc= 1.19 USER MOD Set 2.2: A 17 CYS SG : rot 145:sc= 0.983 USER MOD Set 2.3: A 19 THR OG1 : rot 96:sc= 1.23 USER MOD Set 2.4: A 60 CYS SG : rot 79:sc= -1.11 USER MOD Set 2.5: A 63 HIS : no HE2:sc= -0.622 X(o=1.7,f=1.9) USER MOD Single : A 11 ASN : amide:sc= -0.687 K(o=-0.69,f=1) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.5!) USER MOD Single : A 26 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.0034) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.244 (180deg=-1.54!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0988 K(o=-0.099,f=-1.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-4.6!) USER MOD Single : A 57 THR OG1 : rot -110:sc= -0.743 USER MOD Single : A 62 LYS NZ :NH3+ -159:sc= -0.181 (180deg=-0.665) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0634 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.43 USER MOD Single : A 79 LYS NZ :NH3+ 166:sc= -0.0771 (180deg=-0.375) USER MOD Single : A 80 MET CE :methyl 168:sc= 0 (180deg=-0.166) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N ASN A 11 -6.337 1.603 32.922 1.00 0.00 N ATOM 112 CA ASN A 11 -6.183 1.501 34.369 1.00 0.00 C ATOM 113 C ASN A 11 -4.964 0.656 34.728 1.00 0.00 C ATOM 114 O ASN A 11 -4.230 0.200 33.850 1.00 0.00 O ATOM 115 CB ASN A 11 -7.440 0.895 34.995 1.00 0.00 C ATOM 116 CG ASN A 11 -7.768 -0.472 34.426 1.00 0.00 C ATOM 117 OD1 ASN A 11 -7.470 -0.762 33.267 1.00 0.00 O ATOM 118 ND2 ASN A 11 -8.385 -1.320 35.241 1.00 0.00 N ATOM 0 HA ASN A 11 -6.036 2.506 34.766 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.302 0.813 36.073 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.284 1.566 34.831 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.631 -2.254 34.914 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.613 -1.037 36.194 1.00 0.00 H new ATOM 125 N CYS A 12 -4.755 0.450 36.024 1.00 0.00 N ATOM 126 CA CYS A 12 -3.627 -0.341 36.501 1.00 0.00 C ATOM 127 C CYS A 12 -3.913 -1.833 36.367 1.00 0.00 C ATOM 128 O CYS A 12 -4.994 -2.303 36.721 1.00 0.00 O ATOM 129 CB CYS A 12 -3.318 0.002 37.960 1.00 0.00 C ATOM 130 SG CYS A 12 -1.797 -0.771 38.599 1.00 0.00 S ATOM 0 H CYS A 12 -5.353 0.820 36.763 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.760 -0.099 35.886 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.231 1.084 38.057 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.159 -0.308 38.581 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.830 -0.785 39.898 1.00 0.00 H new ATOM 135 N ALA A 13 -2.936 -2.574 35.854 1.00 0.00 N ATOM 136 CA ALA A 13 -3.081 -4.013 35.675 1.00 0.00 C ATOM 137 C ALA A 13 -3.350 -4.707 37.006 1.00 0.00 C ATOM 138 O ALA A 13 -4.080 -5.696 37.065 1.00 0.00 O ATOM 139 CB ALA A 13 -1.837 -4.592 35.018 1.00 0.00 C ATOM 0 H ALA A 13 -2.035 -2.201 35.555 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.937 -4.188 35.024 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.960 -5.668 34.891 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.690 -4.126 34.044 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.969 -4.398 35.648 1.00 0.00 H new ATOM 145 N ALA A 14 -2.754 -4.183 38.072 1.00 0.00 N ATOM 146 CA ALA A 14 -2.931 -4.752 39.403 1.00 0.00 C ATOM 147 C ALA A 14 -4.403 -5.026 39.692 1.00 0.00 C ATOM 148 O ALA A 14 -5.274 -4.235 39.331 1.00 0.00 O ATOM 149 CB ALA A 14 -2.348 -3.821 40.456 1.00 0.00 C ATOM 0 H ALA A 14 -2.145 -3.366 38.040 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.398 -5.702 39.439 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.487 -4.258 41.445 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.284 -3.680 40.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.855 -2.857 40.411 1.00 0.00 H new ATOM 155 N ALA A 15 -4.673 -6.151 40.345 1.00 0.00 N ATOM 156 CA ALA A 15 -6.040 -6.528 40.684 1.00 0.00 C ATOM 157 C ALA A 15 -6.536 -5.758 41.903 1.00 0.00 C ATOM 158 O ALA A 15 -7.722 -5.789 42.228 1.00 0.00 O ATOM 159 CB ALA A 15 -6.127 -8.027 40.933 1.00 0.00 C ATOM 0 H ALA A 15 -3.964 -6.817 40.650 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.681 -6.272 39.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.153 -8.295 41.185 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.822 -8.563 40.034 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.468 -8.298 41.758 1.00 0.00 H new ATOM 165 N GLY A 16 -5.620 -5.066 42.574 1.00 0.00 N ATOM 166 CA GLY A 16 -5.984 -4.298 43.750 1.00 0.00 C ATOM 167 C GLY A 16 -5.396 -2.901 43.735 1.00 0.00 C ATOM 168 O GLY A 16 -4.579 -2.554 44.588 1.00 0.00 O ATOM 0 H GLY A 16 -4.632 -5.024 42.324 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.070 -4.231 43.815 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.643 -4.823 44.643 1.00 0.00 H new ATOM 172 N CYS A 17 -5.811 -2.097 42.762 1.00 0.00 N ATOM 173 CA CYS A 17 -5.319 -0.730 42.637 1.00 0.00 C ATOM 174 C CYS A 17 -6.326 0.145 41.897 1.00 0.00 C ATOM 175 O CYS A 17 -6.933 1.041 42.482 1.00 0.00 O ATOM 176 CB CYS A 17 -3.977 -0.714 41.902 1.00 0.00 C ATOM 177 SG CYS A 17 -3.199 0.931 41.810 1.00 0.00 S ATOM 0 H CYS A 17 -6.487 -2.369 42.048 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.182 -0.327 43.640 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.293 -1.400 42.402 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.125 -1.091 40.890 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.907 0.805 41.882 1.00 0.00 H new ATOM 182 N ALA A 18 -6.498 -0.122 40.606 1.00 0.00 N ATOM 183 CA ALA A 18 -7.433 0.639 39.787 1.00 0.00 C ATOM 184 C ALA A 18 -6.984 2.089 39.644 1.00 0.00 C ATOM 185 O ALA A 18 -7.806 3.005 39.611 1.00 0.00 O ATOM 186 CB ALA A 18 -8.832 0.574 40.383 1.00 0.00 C ATOM 0 H ALA A 18 -6.002 -0.859 40.105 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.453 0.192 38.793 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.520 1.147 39.761 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.161 -0.464 40.426 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.819 0.993 41.389 1.00 0.00 H new ATOM 192 N THR A 19 -5.673 2.292 39.560 1.00 0.00 N ATOM 193 CA THR A 19 -5.114 3.631 39.423 1.00 0.00 C ATOM 194 C THR A 19 -5.377 4.197 38.032 1.00 0.00 C ATOM 195 O THR A 19 -5.247 3.495 37.029 1.00 0.00 O ATOM 196 CB THR A 19 -3.596 3.636 39.687 1.00 0.00 C ATOM 197 OG1 THR A 19 -3.339 3.968 41.056 1.00 0.00 O ATOM 198 CG2 THR A 19 -2.892 4.631 38.778 1.00 0.00 C ATOM 0 H THR A 19 -4.978 1.546 39.584 1.00 0.00 H new ATOM 0 HA THR A 19 -5.607 4.257 40.167 1.00 0.00 H new ATOM 0 HB THR A 19 -3.209 2.639 39.476 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.227 3.145 41.577 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.822 4.617 38.983 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.066 4.359 37.737 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.283 5.632 38.962 1.00 0.00 H new ATOM 206 N THR A 20 -5.749 5.473 37.978 1.00 0.00 N ATOM 207 CA THR A 20 -6.032 6.133 36.710 1.00 0.00 C ATOM 208 C THR A 20 -5.479 7.554 36.695 1.00 0.00 C ATOM 209 O THR A 20 -4.461 7.827 36.058 1.00 0.00 O ATOM 210 CB THR A 20 -7.545 6.180 36.426 1.00 0.00 C ATOM 211 OG1 THR A 20 -8.275 6.154 37.657 1.00 0.00 O ATOM 212 CG2 THR A 20 -7.969 5.008 35.554 1.00 0.00 C ATOM 0 H THR A 20 -5.861 6.069 38.798 1.00 0.00 H new ATOM 0 HA THR A 20 -5.542 5.547 35.932 1.00 0.00 H new ATOM 0 HB THR A 20 -7.764 7.106 35.894 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.236 6.186 37.468 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.041 5.063 35.367 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.433 5.047 34.606 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.737 4.073 36.063 1.00 0.00 H new ATOM 220 N TYR A 21 -6.155 8.454 37.400 1.00 0.00 N ATOM 221 CA TYR A 21 -5.732 9.848 37.465 1.00 0.00 C ATOM 222 C TYR A 21 -6.029 10.443 38.838 1.00 0.00 C ATOM 223 O TYR A 21 -7.001 10.067 39.493 1.00 0.00 O ATOM 224 CB TYR A 21 -6.431 10.667 36.380 1.00 0.00 C ATOM 225 CG TYR A 21 -5.518 11.077 35.247 1.00 0.00 C ATOM 226 CD1 TYR A 21 -5.140 10.165 34.268 1.00 0.00 C ATOM 227 CD2 TYR A 21 -5.033 12.376 35.155 1.00 0.00 C ATOM 228 CE1 TYR A 21 -4.304 10.535 33.232 1.00 0.00 C ATOM 229 CE2 TYR A 21 -4.198 12.755 34.121 1.00 0.00 C ATOM 230 CZ TYR A 21 -3.836 11.831 33.163 1.00 0.00 C ATOM 231 OH TYR A 21 -3.005 12.204 32.132 1.00 0.00 O ATOM 0 H TYR A 21 -6.998 8.243 37.934 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.655 9.882 37.299 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.260 10.086 35.975 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.860 11.562 36.832 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.506 9.150 34.318 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.313 13.102 35.904 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.019 9.814 32.481 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.831 13.769 34.063 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.767 13.150 32.230 1.00 0.00 H new ATOM 241 N ASN A 22 -5.185 11.375 39.267 1.00 0.00 N ATOM 242 CA ASN A 22 -5.356 12.024 40.562 1.00 0.00 C ATOM 243 C ASN A 22 -4.911 13.482 40.503 1.00 0.00 C ATOM 244 O ASN A 22 -4.535 14.070 41.518 1.00 0.00 O ATOM 245 CB ASN A 22 -4.562 11.280 41.638 1.00 0.00 C ATOM 246 CG ASN A 22 -5.454 10.461 42.551 1.00 0.00 C ATOM 247 OD1 ASN A 22 -6.659 10.351 42.326 1.00 0.00 O ATOM 248 ND2 ASN A 22 -4.863 9.881 43.590 1.00 0.00 N ATOM 0 H ASN A 22 -4.376 11.698 38.737 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.415 11.996 40.817 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.835 10.623 41.160 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.000 11.999 42.233 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.412 9.318 44.240 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.861 9.999 43.738 1.00 0.00 H new ATOM 313 N ASN A 26 1.595 12.073 39.514 1.00 0.00 N ATOM 314 CA ASN A 26 2.117 11.968 38.156 1.00 0.00 C ATOM 315 C ASN A 26 2.774 10.610 37.930 1.00 0.00 C ATOM 316 O ASN A 26 3.762 10.501 37.203 1.00 0.00 O ATOM 317 CB ASN A 26 3.125 13.087 37.887 1.00 0.00 C ATOM 318 CG ASN A 26 2.804 13.862 36.624 1.00 0.00 C ATOM 319 OD1 ASN A 26 3.629 13.959 35.716 1.00 0.00 O ATOM 320 ND2 ASN A 26 1.600 14.419 36.561 1.00 0.00 N ATOM 0 HA ASN A 26 1.282 12.067 37.463 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.140 13.771 38.736 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.124 12.660 37.804 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.328 14.953 35.736 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.948 14.313 37.338 1.00 0.00 H new ATOM 327 N ILE A 27 2.220 9.578 38.557 1.00 0.00 N ATOM 328 CA ILE A 27 2.751 8.228 38.423 1.00 0.00 C ATOM 329 C ILE A 27 3.169 7.942 36.984 1.00 0.00 C ATOM 330 O ILE A 27 2.524 8.393 36.038 1.00 0.00 O ATOM 331 CB ILE A 27 1.722 7.171 38.866 1.00 0.00 C ATOM 332 CG1 ILE A 27 1.805 6.949 40.378 1.00 0.00 C ATOM 333 CG2 ILE A 27 1.950 5.864 38.120 1.00 0.00 C ATOM 334 CD1 ILE A 27 0.713 6.052 40.917 1.00 0.00 C ATOM 0 H ILE A 27 1.403 9.651 39.163 1.00 0.00 H new ATOM 0 HA ILE A 27 3.625 8.167 39.072 1.00 0.00 H new ATOM 0 HB ILE A 27 0.723 7.535 38.625 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.774 6.514 40.621 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.754 7.914 40.882 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.215 5.127 38.444 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.846 6.034 37.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.953 5.494 38.333 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.834 5.939 41.994 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.260 6.496 40.706 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.777 5.074 40.440 1.00 0.00 H new ATOM 346 N SER A 28 4.253 7.188 36.827 1.00 0.00 N ATOM 347 CA SER A 28 4.759 6.843 35.504 1.00 0.00 C ATOM 348 C SER A 28 4.195 5.504 35.039 1.00 0.00 C ATOM 349 O SER A 28 4.004 4.587 35.837 1.00 0.00 O ATOM 350 CB SER A 28 6.288 6.789 35.518 1.00 0.00 C ATOM 351 OG SER A 28 6.803 7.243 36.757 1.00 0.00 O ATOM 0 H SER A 28 4.797 6.805 37.600 1.00 0.00 H new ATOM 0 HA SER A 28 4.436 7.615 34.806 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.621 5.767 35.335 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.684 7.403 34.709 1.00 0.00 H new ATOM 0 HG SER A 28 7.782 7.197 36.741 1.00 0.00 H new ATOM 357 N PHE A 29 3.931 5.400 33.741 1.00 0.00 N ATOM 358 CA PHE A 29 3.387 4.174 33.167 1.00 0.00 C ATOM 359 C PHE A 29 4.498 3.314 32.570 1.00 0.00 C ATOM 360 O PHE A 29 5.109 3.680 31.565 1.00 0.00 O ATOM 361 CB PHE A 29 2.349 4.504 32.093 1.00 0.00 C ATOM 362 CG PHE A 29 2.953 4.938 30.789 1.00 0.00 C ATOM 363 CD1 PHE A 29 3.235 6.274 30.551 1.00 0.00 C ATOM 364 CD2 PHE A 29 3.239 4.010 29.800 1.00 0.00 C ATOM 365 CE1 PHE A 29 3.790 6.675 29.350 1.00 0.00 C ATOM 366 CE2 PHE A 29 3.795 4.406 28.598 1.00 0.00 C ATOM 367 CZ PHE A 29 4.072 5.740 28.373 1.00 0.00 C ATOM 0 H PHE A 29 4.085 6.149 33.066 1.00 0.00 H new ATOM 0 HA PHE A 29 2.905 3.611 33.966 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.725 3.627 31.921 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.695 5.294 32.462 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.019 7.009 31.312 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.025 2.965 29.971 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.003 7.719 29.176 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.013 3.673 27.836 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.508 6.052 27.435 1.00 0.00 H new ATOM 377 N HIS A 30 4.753 2.170 33.195 1.00 0.00 N ATOM 378 CA HIS A 30 5.790 1.257 32.726 1.00 0.00 C ATOM 379 C HIS A 30 5.185 -0.072 32.284 1.00 0.00 C ATOM 380 O HIS A 30 4.909 -0.944 33.109 1.00 0.00 O ATOM 381 CB HIS A 30 6.825 1.019 33.825 1.00 0.00 C ATOM 382 CG HIS A 30 7.505 2.271 34.289 1.00 0.00 C ATOM 383 ND1 HIS A 30 8.554 2.853 33.609 1.00 0.00 N ATOM 384 CD2 HIS A 30 7.279 3.052 35.371 1.00 0.00 C ATOM 385 CE1 HIS A 30 8.945 3.938 34.254 1.00 0.00 C ATOM 386 NE2 HIS A 30 8.187 4.082 35.326 1.00 0.00 N ATOM 0 H HIS A 30 4.256 1.852 34.027 1.00 0.00 H new ATOM 0 HA HIS A 30 6.282 1.715 31.868 1.00 0.00 H new ATOM 0 HB2 HIS A 30 6.337 0.544 34.676 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.578 0.321 33.459 1.00 0.00 H new ATOM 0 HD1 HIS A 30 8.964 2.501 32.744 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.525 2.895 36.128 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.748 4.595 33.955 1.00 0.00 H new ATOM 394 N ARG A 31 4.980 -0.219 30.980 1.00 0.00 N ATOM 395 CA ARG A 31 4.405 -1.441 30.429 1.00 0.00 C ATOM 396 C ARG A 31 5.196 -2.665 30.882 1.00 0.00 C ATOM 397 O ARG A 31 6.211 -2.543 31.566 1.00 0.00 O ATOM 398 CB ARG A 31 4.378 -1.374 28.901 1.00 0.00 C ATOM 399 CG ARG A 31 5.649 -1.892 28.247 1.00 0.00 C ATOM 400 CD ARG A 31 5.714 -1.507 26.777 1.00 0.00 C ATOM 401 NE ARG A 31 5.715 -2.678 25.904 1.00 0.00 N ATOM 402 CZ ARG A 31 6.140 -2.657 24.646 1.00 0.00 C ATOM 403 NH1 ARG A 31 6.596 -1.530 24.116 1.00 0.00 N ATOM 404 NH2 ARG A 31 6.109 -3.764 23.915 1.00 0.00 N ATOM 0 H ARG A 31 5.203 0.493 30.284 1.00 0.00 H new ATOM 0 HA ARG A 31 3.384 -1.532 30.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.529 -1.952 28.535 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.216 -0.341 28.594 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.518 -1.490 28.768 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.693 -2.977 28.343 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.863 -0.872 26.531 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.614 -0.919 26.596 1.00 0.00 H new ATOM 0 HE ARG A 31 5.370 -3.561 26.281 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.621 -0.677 24.675 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.922 -1.516 23.150 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.758 -4.632 24.319 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.436 -3.747 22.949 1.00 0.00 H new ATOM 418 N PHE A 32 4.722 -3.845 30.495 1.00 0.00 N ATOM 419 CA PHE A 32 5.383 -5.092 30.862 1.00 0.00 C ATOM 420 C PHE A 32 6.714 -5.237 30.130 1.00 0.00 C ATOM 421 O PHE A 32 6.936 -4.650 29.071 1.00 0.00 O ATOM 422 CB PHE A 32 4.480 -6.285 30.544 1.00 0.00 C ATOM 423 CG PHE A 32 3.400 -6.507 31.564 1.00 0.00 C ATOM 424 CD1 PHE A 32 2.584 -5.463 31.967 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.199 -7.761 32.118 1.00 0.00 C ATOM 426 CE1 PHE A 32 1.590 -5.664 32.906 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.207 -7.969 33.057 1.00 0.00 C ATOM 428 CZ PHE A 32 1.400 -6.919 33.451 1.00 0.00 C ATOM 0 H PHE A 32 3.883 -3.964 29.927 1.00 0.00 H new ATOM 0 HA PHE A 32 5.579 -5.069 31.934 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.021 -6.133 29.567 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.091 -7.184 30.472 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.726 -4.480 31.542 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.825 -8.586 31.812 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.962 -4.841 33.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.063 -8.951 33.482 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.623 -7.079 34.183 1.00 0.00 H new ATOM 438 N PRO A 33 7.621 -6.039 30.707 1.00 0.00 N ATOM 439 CA PRO A 33 8.946 -6.281 30.127 1.00 0.00 C ATOM 440 C PRO A 33 8.877 -7.114 28.852 1.00 0.00 C ATOM 441 O PRO A 33 8.099 -8.065 28.760 1.00 0.00 O ATOM 442 CB PRO A 33 9.680 -7.050 31.229 1.00 0.00 C ATOM 443 CG PRO A 33 8.600 -7.708 32.016 1.00 0.00 C ATOM 444 CD PRO A 33 7.424 -6.771 31.969 1.00 0.00 C ATOM 0 HA PRO A 33 9.439 -5.354 29.834 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.367 -7.784 30.809 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.272 -6.380 31.852 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.343 -8.678 31.591 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.918 -7.884 33.044 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.478 -7.313 31.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.412 -6.098 32.826 1.00 0.00 H new ATOM 452 N LEU A 34 9.695 -6.753 27.870 1.00 0.00 N ATOM 453 CA LEU A 34 9.728 -7.468 26.599 1.00 0.00 C ATOM 454 C LEU A 34 10.402 -8.827 26.755 1.00 0.00 C ATOM 455 O LEU A 34 10.299 -9.687 25.880 1.00 0.00 O ATOM 456 CB LEU A 34 10.463 -6.639 25.543 1.00 0.00 C ATOM 457 CG LEU A 34 9.784 -5.336 25.120 1.00 0.00 C ATOM 458 CD1 LEU A 34 8.369 -5.267 25.675 1.00 0.00 C ATOM 459 CD2 LEU A 34 10.599 -4.136 25.581 1.00 0.00 C ATOM 0 H LEU A 34 10.345 -5.969 27.929 1.00 0.00 H new ATOM 0 HA LEU A 34 8.700 -7.629 26.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.456 -6.401 25.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.602 -7.258 24.656 1.00 0.00 H new ATOM 0 HG LEU A 34 9.727 -5.315 24.032 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.901 -4.333 25.364 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.788 -6.108 25.296 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.403 -5.311 26.764 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.101 -3.217 25.271 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.688 -4.152 26.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.593 -4.178 25.135 1.00 0.00 H new ATOM 471 N ASP A 35 11.091 -9.014 27.876 1.00 0.00 N ATOM 472 CA ASP A 35 11.780 -10.270 28.149 1.00 0.00 C ATOM 473 C ASP A 35 10.819 -11.300 28.735 1.00 0.00 C ATOM 474 O ASP A 35 9.873 -10.967 29.449 1.00 0.00 O ATOM 475 CB ASP A 35 12.947 -10.038 29.110 1.00 0.00 C ATOM 476 CG ASP A 35 14.262 -10.549 28.557 1.00 0.00 C ATOM 477 OD1 ASP A 35 14.361 -10.722 27.324 1.00 0.00 O ATOM 478 OD2 ASP A 35 15.194 -10.776 29.357 1.00 0.00 O ATOM 0 H ASP A 35 11.187 -8.312 28.610 1.00 0.00 H new ATOM 0 HA ASP A 35 12.168 -10.656 27.206 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.034 -8.972 29.320 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.738 -10.534 30.058 1.00 0.00 H new ATOM 483 N PRO A 36 11.066 -12.582 28.428 1.00 0.00 N ATOM 484 CA PRO A 36 10.234 -13.687 28.913 1.00 0.00 C ATOM 485 C PRO A 36 10.391 -13.915 30.413 1.00 0.00 C ATOM 486 O PRO A 36 9.409 -14.132 31.124 1.00 0.00 O ATOM 487 CB PRO A 36 10.757 -14.895 28.132 1.00 0.00 C ATOM 488 CG PRO A 36 12.162 -14.542 27.784 1.00 0.00 C ATOM 489 CD PRO A 36 12.177 -13.052 27.583 1.00 0.00 C ATOM 0 HA PRO A 36 9.172 -13.493 28.764 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.714 -15.803 28.733 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.161 -15.076 27.237 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.847 -14.835 28.580 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.482 -15.061 26.881 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.127 -12.615 27.889 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.026 -12.786 26.537 1.00 0.00 H new ATOM 497 N LYS A 37 11.630 -13.864 30.888 1.00 0.00 N ATOM 498 CA LYS A 37 11.916 -14.062 32.304 1.00 0.00 C ATOM 499 C LYS A 37 11.057 -13.143 33.167 1.00 0.00 C ATOM 500 O LYS A 37 10.460 -13.580 34.151 1.00 0.00 O ATOM 501 CB LYS A 37 13.398 -13.807 32.588 1.00 0.00 C ATOM 502 CG LYS A 37 14.290 -14.997 32.281 1.00 0.00 C ATOM 503 CD LYS A 37 14.660 -15.052 30.808 1.00 0.00 C ATOM 504 CE LYS A 37 16.168 -15.071 30.613 1.00 0.00 C ATOM 505 NZ LYS A 37 16.846 -14.023 31.425 1.00 0.00 N ATOM 0 H LYS A 37 12.453 -13.687 30.313 1.00 0.00 H new ATOM 0 HA LYS A 37 11.677 -15.095 32.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.730 -12.953 31.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.517 -13.536 33.637 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.197 -14.938 32.883 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.780 -15.918 32.563 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.222 -15.941 30.355 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.236 -14.190 30.293 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.557 -16.051 30.888 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.400 -14.920 29.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.675 -13.665 30.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.185 -13.240 31.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.153 -14.430 32.331 1.00 0.00 H new ATOM 519 N ARG A 38 10.998 -11.870 32.790 1.00 0.00 N ATOM 520 CA ARG A 38 10.211 -10.890 33.530 1.00 0.00 C ATOM 521 C ARG A 38 8.748 -10.932 33.100 1.00 0.00 C ATOM 522 O ARG A 38 7.847 -11.001 33.937 1.00 0.00 O ATOM 523 CB ARG A 38 10.776 -9.485 33.316 1.00 0.00 C ATOM 524 CG ARG A 38 12.290 -9.413 33.434 1.00 0.00 C ATOM 525 CD ARG A 38 12.750 -9.668 34.861 1.00 0.00 C ATOM 526 NE ARG A 38 14.193 -9.499 35.009 1.00 0.00 N ATOM 527 CZ ARG A 38 15.087 -10.360 34.534 1.00 0.00 C ATOM 528 NH1 ARG A 38 14.687 -11.444 33.885 1.00 0.00 N ATOM 529 NH2 ARG A 38 16.383 -10.136 34.709 1.00 0.00 N ATOM 0 H ARG A 38 11.485 -11.493 31.977 1.00 0.00 H new ATOM 0 HA ARG A 38 10.268 -11.140 34.589 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.480 -9.130 32.329 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.331 -8.808 34.045 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.743 -10.147 32.768 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.635 -8.431 33.109 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.234 -8.985 35.536 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.471 -10.679 35.157 1.00 0.00 H new ATOM 0 HE ARG A 38 14.533 -8.675 35.504 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.691 -11.619 33.749 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.375 -12.104 33.521 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.694 -9.303 35.208 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.069 -10.797 34.344 1.00 0.00 H new ATOM 543 N ARG A 39 8.519 -10.890 31.792 1.00 0.00 N ATOM 544 CA ARG A 39 7.165 -10.922 31.252 1.00 0.00 C ATOM 545 C ARG A 39 6.283 -11.878 32.050 1.00 0.00 C ATOM 546 O ARG A 39 5.221 -11.496 32.542 1.00 0.00 O ATOM 547 CB ARG A 39 7.189 -11.342 29.781 1.00 0.00 C ATOM 548 CG ARG A 39 5.807 -11.518 29.175 1.00 0.00 C ATOM 549 CD ARG A 39 5.692 -12.834 28.421 1.00 0.00 C ATOM 550 NE ARG A 39 4.936 -13.831 29.173 1.00 0.00 N ATOM 551 CZ ARG A 39 4.638 -15.037 28.702 1.00 0.00 C ATOM 552 NH1 ARG A 39 5.032 -15.393 27.487 1.00 0.00 N ATOM 553 NH2 ARG A 39 3.946 -15.890 29.447 1.00 0.00 N ATOM 0 H ARG A 39 9.253 -10.834 31.086 1.00 0.00 H new ATOM 0 HA ARG A 39 6.747 -9.918 31.330 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.735 -10.593 29.207 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.739 -12.279 29.688 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.056 -11.483 29.964 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.597 -10.690 28.498 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.207 -12.660 27.460 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.690 -13.219 28.210 1.00 0.00 H new ATOM 0 HE ARG A 39 4.619 -13.588 30.112 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.565 -14.740 26.912 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.802 -16.319 27.127 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.642 -15.620 30.383 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.718 -16.816 29.084 1.00 0.00 H new ATOM 567 N LYS A 40 6.730 -13.122 32.175 1.00 0.00 N ATOM 568 CA LYS A 40 5.984 -14.134 32.913 1.00 0.00 C ATOM 569 C LYS A 40 5.820 -13.730 34.375 1.00 0.00 C ATOM 570 O LYS A 40 4.795 -14.011 34.994 1.00 0.00 O ATOM 571 CB LYS A 40 6.693 -15.487 32.824 1.00 0.00 C ATOM 572 CG LYS A 40 6.587 -16.140 31.456 1.00 0.00 C ATOM 573 CD LYS A 40 7.811 -16.985 31.146 1.00 0.00 C ATOM 574 CE LYS A 40 8.142 -16.963 29.662 1.00 0.00 C ATOM 575 NZ LYS A 40 8.988 -18.122 29.264 1.00 0.00 N ATOM 0 H LYS A 40 7.607 -13.455 31.774 1.00 0.00 H new ATOM 0 HA LYS A 40 4.995 -14.219 32.464 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.746 -15.353 33.073 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.271 -16.159 33.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.694 -16.764 31.418 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.472 -15.371 30.692 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.664 -16.615 31.716 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.636 -18.012 31.466 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.218 -16.973 29.084 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.660 -16.035 29.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.191 -18.070 28.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.881 -18.099 29.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.484 -19.007 29.472 1.00 0.00 H new ATOM 589 N GLU A 41 6.836 -13.067 34.919 1.00 0.00 N ATOM 590 CA GLU A 41 6.802 -12.624 36.308 1.00 0.00 C ATOM 591 C GLU A 41 5.766 -11.521 36.502 1.00 0.00 C ATOM 592 O GLU A 41 4.790 -11.694 37.231 1.00 0.00 O ATOM 593 CB GLU A 41 8.183 -12.125 36.741 1.00 0.00 C ATOM 594 CG GLU A 41 8.986 -13.154 37.518 1.00 0.00 C ATOM 595 CD GLU A 41 8.199 -13.766 38.661 1.00 0.00 C ATOM 596 OE1 GLU A 41 7.598 -13.001 39.445 1.00 0.00 O ATOM 597 OE2 GLU A 41 8.185 -15.010 38.772 1.00 0.00 O ATOM 0 H GLU A 41 7.692 -12.825 34.420 1.00 0.00 H new ATOM 0 HA GLU A 41 6.521 -13.475 36.928 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.747 -11.829 35.856 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.061 -11.232 37.355 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.309 -13.944 36.840 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.887 -12.684 37.913 1.00 0.00 H new ATOM 604 N TRP A 42 5.987 -10.388 35.845 1.00 0.00 N ATOM 605 CA TRP A 42 5.073 -9.256 35.946 1.00 0.00 C ATOM 606 C TRP A 42 3.624 -9.728 35.980 1.00 0.00 C ATOM 607 O TRP A 42 2.752 -9.047 36.521 1.00 0.00 O ATOM 608 CB TRP A 42 5.284 -8.299 34.772 1.00 0.00 C ATOM 609 CG TRP A 42 6.448 -7.373 34.961 1.00 0.00 C ATOM 610 CD1 TRP A 42 7.753 -7.727 35.149 1.00 0.00 C ATOM 611 CD2 TRP A 42 6.410 -5.942 34.982 1.00 0.00 C ATOM 612 NE1 TRP A 42 8.530 -6.601 35.286 1.00 0.00 N ATOM 613 CE2 TRP A 42 7.730 -5.494 35.187 1.00 0.00 C ATOM 614 CE3 TRP A 42 5.391 -4.996 34.846 1.00 0.00 C ATOM 615 CZ2 TRP A 42 8.054 -4.142 35.259 1.00 0.00 C ATOM 616 CZ3 TRP A 42 5.714 -3.654 34.919 1.00 0.00 C ATOM 617 CH2 TRP A 42 7.036 -3.237 35.123 1.00 0.00 C ATOM 0 H TRP A 42 6.790 -10.229 35.237 1.00 0.00 H new ATOM 0 HA TRP A 42 5.285 -8.730 36.877 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.435 -8.880 33.862 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.379 -7.709 34.627 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.121 -8.742 35.185 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.539 -6.592 35.437 1.00 0.00 H new ATOM 0 HE3 TRP A 42 4.369 -5.308 34.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.072 -3.819 35.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.934 -2.914 34.817 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.256 -2.181 35.174 1.00 0.00 H new ATOM 628 N VAL A 43 3.373 -10.897 35.398 1.00 0.00 N ATOM 629 CA VAL A 43 2.028 -11.460 35.364 1.00 0.00 C ATOM 630 C VAL A 43 1.764 -12.328 36.588 1.00 0.00 C ATOM 631 O VAL A 43 0.669 -12.310 37.151 1.00 0.00 O ATOM 632 CB VAL A 43 1.805 -12.301 34.093 1.00 0.00 C ATOM 633 CG1 VAL A 43 0.388 -12.854 34.061 1.00 0.00 C ATOM 634 CG2 VAL A 43 2.092 -11.474 32.849 1.00 0.00 C ATOM 0 H VAL A 43 4.083 -11.472 34.944 1.00 0.00 H new ATOM 0 HA VAL A 43 1.333 -10.620 35.362 1.00 0.00 H new ATOM 0 HB VAL A 43 2.498 -13.142 34.109 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.249 -13.445 33.156 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.223 -13.484 34.935 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.325 -12.029 34.069 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.929 -12.084 31.961 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.426 -10.612 32.824 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.127 -11.133 32.870 1.00 0.00 H new ATOM 644 N ARG A 44 2.775 -13.088 36.997 1.00 0.00 N ATOM 645 CA ARG A 44 2.652 -13.965 38.155 1.00 0.00 C ATOM 646 C ARG A 44 2.524 -13.153 39.441 1.00 0.00 C ATOM 647 O ARG A 44 1.785 -13.527 40.353 1.00 0.00 O ATOM 648 CB ARG A 44 3.862 -14.897 38.247 1.00 0.00 C ATOM 649 CG ARG A 44 4.405 -15.053 39.658 1.00 0.00 C ATOM 650 CD ARG A 44 3.408 -15.759 40.563 1.00 0.00 C ATOM 651 NE ARG A 44 4.002 -16.910 41.239 1.00 0.00 N ATOM 652 CZ ARG A 44 4.164 -18.096 40.665 1.00 0.00 C ATOM 653 NH1 ARG A 44 3.779 -18.288 39.411 1.00 0.00 N ATOM 654 NH2 ARG A 44 4.713 -19.095 41.345 1.00 0.00 N ATOM 0 H ARG A 44 3.688 -13.114 36.543 1.00 0.00 H new ATOM 0 HA ARG A 44 1.749 -14.563 38.031 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.584 -15.879 37.863 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.654 -14.515 37.602 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.337 -15.618 39.630 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.640 -14.071 40.069 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.032 -15.056 41.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.552 -16.087 39.973 1.00 0.00 H new ATOM 0 HE ARG A 44 4.309 -16.796 42.205 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.357 -17.523 38.884 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.905 -19.200 38.973 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.011 -18.952 42.310 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.837 -20.006 40.903 1.00 0.00 H new ATOM 668 N LEU A 45 3.247 -12.041 39.506 1.00 0.00 N ATOM 669 CA LEU A 45 3.215 -11.175 40.680 1.00 0.00 C ATOM 670 C LEU A 45 1.844 -10.524 40.839 1.00 0.00 C ATOM 671 O LEU A 45 1.199 -10.658 41.879 1.00 0.00 O ATOM 672 CB LEU A 45 4.294 -10.097 40.573 1.00 0.00 C ATOM 673 CG LEU A 45 5.741 -10.592 40.586 1.00 0.00 C ATOM 674 CD1 LEU A 45 6.571 -9.844 39.555 1.00 0.00 C ATOM 675 CD2 LEU A 45 6.345 -10.438 41.975 1.00 0.00 C ATOM 0 H LEU A 45 3.863 -11.717 38.760 1.00 0.00 H new ATOM 0 HA LEU A 45 3.410 -11.789 41.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.131 -9.538 39.652 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.163 -9.397 41.398 1.00 0.00 H new ATOM 0 HG LEU A 45 5.745 -11.650 40.325 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.597 -10.210 39.579 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.151 -10.007 38.562 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.560 -8.778 39.783 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.375 -10.795 41.966 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.328 -9.387 42.265 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.765 -11.021 42.691 1.00 0.00 H new ATOM 687 N VAL A 46 1.405 -9.821 39.800 1.00 0.00 N ATOM 688 CA VAL A 46 0.109 -9.152 39.823 1.00 0.00 C ATOM 689 C VAL A 46 -1.012 -10.137 40.135 1.00 0.00 C ATOM 690 O VAL A 46 -2.120 -9.738 40.496 1.00 0.00 O ATOM 691 CB VAL A 46 -0.189 -8.461 38.479 1.00 0.00 C ATOM 692 CG1 VAL A 46 -0.051 -9.447 37.329 1.00 0.00 C ATOM 693 CG2 VAL A 46 -1.578 -7.840 38.497 1.00 0.00 C ATOM 0 H VAL A 46 1.927 -9.700 38.932 1.00 0.00 H new ATOM 0 HA VAL A 46 0.155 -8.398 40.609 1.00 0.00 H new ATOM 0 HB VAL A 46 0.539 -7.663 38.330 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.265 -8.941 36.388 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.966 -9.840 37.306 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.754 -10.268 37.467 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.773 -7.356 37.540 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.322 -8.618 38.668 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.636 -7.101 39.296 1.00 0.00 H new ATOM 703 N ARG A 47 -0.717 -11.425 39.996 1.00 0.00 N ATOM 704 CA ARG A 47 -1.701 -12.467 40.262 1.00 0.00 C ATOM 705 C ARG A 47 -3.063 -12.089 39.689 1.00 0.00 C ATOM 706 O ARG A 47 -3.955 -11.652 40.417 1.00 0.00 O ATOM 707 CB ARG A 47 -1.820 -12.713 41.768 1.00 0.00 C ATOM 708 CG ARG A 47 -1.074 -13.948 42.244 1.00 0.00 C ATOM 709 CD ARG A 47 -2.020 -15.117 42.470 1.00 0.00 C ATOM 710 NE ARG A 47 -1.405 -16.172 43.273 1.00 0.00 N ATOM 711 CZ ARG A 47 -1.960 -17.363 43.470 1.00 0.00 C ATOM 712 NH1 ARG A 47 -3.134 -17.650 42.925 1.00 0.00 N ATOM 713 NH2 ARG A 47 -1.339 -18.270 44.213 1.00 0.00 N ATOM 0 H ARG A 47 0.196 -11.772 39.701 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.363 -13.382 39.776 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.440 -11.841 42.301 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.874 -12.812 42.029 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.320 -14.226 41.507 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.546 -13.721 43.170 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.922 -14.762 42.968 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.327 -15.526 41.508 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.501 -15.984 43.706 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.614 -16.956 42.352 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.557 -18.565 43.078 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.435 -18.053 44.633 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.765 -19.184 44.364 1.00 0.00 H new ATOM 727 N ARG A 48 -3.216 -12.259 38.380 1.00 0.00 N ATOM 728 CA ARG A 48 -4.469 -11.933 37.708 1.00 0.00 C ATOM 729 C ARG A 48 -5.151 -13.196 37.190 1.00 0.00 C ATOM 730 O ARG A 48 -6.312 -13.163 36.778 1.00 0.00 O ATOM 731 CB ARG A 48 -4.215 -10.966 36.550 1.00 0.00 C ATOM 732 CG ARG A 48 -4.288 -9.502 36.953 1.00 0.00 C ATOM 733 CD ARG A 48 -5.642 -8.898 36.612 1.00 0.00 C ATOM 734 NE ARG A 48 -5.947 -9.006 35.188 1.00 0.00 N ATOM 735 CZ ARG A 48 -7.031 -8.481 34.627 1.00 0.00 C ATOM 736 NH1 ARG A 48 -7.908 -7.816 35.366 1.00 0.00 N ATOM 737 NH2 ARG A 48 -7.239 -8.622 33.324 1.00 0.00 N ATOM 0 H ARG A 48 -2.488 -12.620 37.763 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.128 -11.455 38.433 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.231 -11.169 36.127 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.945 -11.155 35.763 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.106 -9.408 38.024 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.501 -8.944 36.446 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.419 -9.401 37.188 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.655 -7.849 36.907 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.292 -9.512 34.592 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.751 -7.706 36.368 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.739 -7.414 34.933 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.567 -9.134 32.753 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.071 -8.219 32.894 1.00 0.00 H new ATOM 751 N LYS A 49 -4.424 -14.307 37.212 1.00 0.00 N ATOM 752 CA LYS A 49 -4.958 -15.581 36.746 1.00 0.00 C ATOM 753 C LYS A 49 -5.342 -15.503 35.272 1.00 0.00 C ATOM 754 O LYS A 49 -6.071 -14.603 34.857 1.00 0.00 O ATOM 755 CB LYS A 49 -6.176 -15.983 37.581 1.00 0.00 C ATOM 756 CG LYS A 49 -6.031 -15.670 39.060 1.00 0.00 C ATOM 757 CD LYS A 49 -7.231 -14.903 39.588 1.00 0.00 C ATOM 758 CE LYS A 49 -8.274 -15.840 40.179 1.00 0.00 C ATOM 759 NZ LYS A 49 -8.335 -15.737 41.663 1.00 0.00 N ATOM 0 H LYS A 49 -3.462 -14.351 37.548 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.181 -16.337 36.861 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.056 -15.469 37.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.352 -17.052 37.460 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.916 -16.598 39.620 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.125 -15.086 39.222 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.905 -14.193 40.348 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.677 -14.322 38.781 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.252 -15.606 39.758 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.042 -16.867 39.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.057 -16.391 42.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.409 -15.985 42.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.581 -14.764 41.934 1.00 0.00 H new ATOM 773 N ASN A 50 -4.847 -16.454 34.485 1.00 0.00 N ATOM 774 CA ASN A 50 -5.140 -16.493 33.057 1.00 0.00 C ATOM 775 C ASN A 50 -5.200 -15.084 32.475 1.00 0.00 C ATOM 776 O ASN A 50 -6.202 -14.688 31.879 1.00 0.00 O ATOM 777 CB ASN A 50 -6.464 -17.217 32.806 1.00 0.00 C ATOM 778 CG ASN A 50 -6.519 -17.863 31.435 1.00 0.00 C ATOM 779 OD1 ASN A 50 -5.506 -18.334 30.918 1.00 0.00 O ATOM 780 ND2 ASN A 50 -7.706 -17.888 30.840 1.00 0.00 N ATOM 0 H ASN A 50 -4.242 -17.207 34.812 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.336 -17.038 32.562 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.608 -17.981 33.570 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.287 -16.509 32.904 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.805 -18.310 29.917 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.519 -17.485 31.306 1.00 0.00 H new ATOM 787 N PHE A 51 -4.120 -14.330 32.652 1.00 0.00 N ATOM 788 CA PHE A 51 -4.049 -12.964 32.146 1.00 0.00 C ATOM 789 C PHE A 51 -2.682 -12.683 31.529 1.00 0.00 C ATOM 790 O PHE A 51 -1.677 -13.275 31.922 1.00 0.00 O ATOM 791 CB PHE A 51 -4.329 -11.965 33.270 1.00 0.00 C ATOM 792 CG PHE A 51 -3.438 -10.756 33.234 1.00 0.00 C ATOM 793 CD1 PHE A 51 -2.230 -10.749 33.912 1.00 0.00 C ATOM 794 CD2 PHE A 51 -3.810 -9.627 32.522 1.00 0.00 C ATOM 795 CE1 PHE A 51 -1.408 -9.639 33.880 1.00 0.00 C ATOM 796 CE2 PHE A 51 -2.991 -8.514 32.487 1.00 0.00 C ATOM 797 CZ PHE A 51 -1.789 -8.519 33.167 1.00 0.00 C ATOM 0 H PHE A 51 -3.282 -14.642 33.142 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.808 -12.850 31.372 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.368 -11.642 33.208 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.208 -12.467 34.230 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.927 -11.621 34.472 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.749 -9.617 31.989 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.468 -9.647 34.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.291 -7.640 31.928 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.149 -7.650 33.141 1.00 0.00 H new ATOM 807 N VAL A 52 -2.653 -11.775 30.559 1.00 0.00 N ATOM 808 CA VAL A 52 -1.410 -11.414 29.887 1.00 0.00 C ATOM 809 C VAL A 52 -1.558 -10.101 29.126 1.00 0.00 C ATOM 810 O VAL A 52 -2.611 -9.795 28.565 1.00 0.00 O ATOM 811 CB VAL A 52 -0.961 -12.515 28.907 1.00 0.00 C ATOM 812 CG1 VAL A 52 -0.569 -11.910 27.568 1.00 0.00 C ATOM 813 CG2 VAL A 52 0.189 -13.316 29.498 1.00 0.00 C ATOM 0 H VAL A 52 -3.476 -11.276 30.221 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.653 -11.298 30.663 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.798 -13.193 28.740 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.255 -12.702 26.889 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.424 -11.385 27.142 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.253 -11.209 27.712 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.494 -14.089 28.793 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.031 -12.652 29.695 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.133 -13.781 30.430 1.00 0.00 H new ATOM 823 N PRO A 53 -0.479 -9.305 29.104 1.00 0.00 N ATOM 824 CA PRO A 53 -0.464 -8.012 28.414 1.00 0.00 C ATOM 825 C PRO A 53 -0.503 -8.164 26.897 1.00 0.00 C ATOM 826 O PRO A 53 -0.465 -9.276 26.374 1.00 0.00 O ATOM 827 CB PRO A 53 0.864 -7.390 28.854 1.00 0.00 C ATOM 828 CG PRO A 53 1.730 -8.553 29.200 1.00 0.00 C ATOM 829 CD PRO A 53 0.809 -9.606 29.751 1.00 0.00 C ATOM 0 HA PRO A 53 -1.337 -7.408 28.662 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.305 -6.792 28.057 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.728 -6.729 29.710 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.260 -8.920 28.321 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.485 -8.272 29.934 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.156 -10.610 29.508 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.736 -9.548 30.837 1.00 0.00 H new ATOM 837 N GLY A 54 -0.580 -7.037 26.196 1.00 0.00 N ATOM 838 CA GLY A 54 -0.623 -7.067 24.745 1.00 0.00 C ATOM 839 C GLY A 54 -1.437 -5.927 24.165 1.00 0.00 C ATOM 840 O GLY A 54 -2.114 -6.091 23.150 1.00 0.00 O ATOM 0 H GLY A 54 -0.613 -6.104 26.607 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.393 -7.020 24.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.047 -8.016 24.417 1.00 0.00 H new ATOM 844 N LYS A 55 -1.374 -4.768 24.812 1.00 0.00 N ATOM 845 CA LYS A 55 -2.111 -3.596 24.356 1.00 0.00 C ATOM 846 C LYS A 55 -1.664 -2.346 25.107 1.00 0.00 C ATOM 847 O LYS A 55 -0.763 -1.633 24.666 1.00 0.00 O ATOM 848 CB LYS A 55 -3.614 -3.807 24.545 1.00 0.00 C ATOM 849 CG LYS A 55 -4.443 -2.563 24.277 1.00 0.00 C ATOM 850 CD LYS A 55 -5.595 -2.853 23.330 1.00 0.00 C ATOM 851 CE LYS A 55 -6.885 -3.123 24.089 1.00 0.00 C ATOM 852 NZ LYS A 55 -7.735 -4.131 23.396 1.00 0.00 N ATOM 0 H LYS A 55 -0.820 -4.616 25.654 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.901 -3.456 23.296 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.946 -4.605 23.881 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.799 -4.144 25.565 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.833 -2.175 25.218 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.808 -1.786 23.851 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.737 -2.007 22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.349 -3.715 22.709 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.649 -3.476 25.093 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.442 -2.193 24.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.605 -4.288 23.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.982 -3.784 22.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.213 -5.026 23.312 1.00 0.00 H new ATOM 866 N HIS A 56 -2.299 -2.087 26.246 1.00 0.00 N ATOM 867 CA HIS A 56 -1.965 -0.924 27.060 1.00 0.00 C ATOM 868 C HIS A 56 -1.592 -1.343 28.479 1.00 0.00 C ATOM 869 O HIS A 56 -1.175 -0.517 29.293 1.00 0.00 O ATOM 870 CB HIS A 56 -3.140 0.054 27.097 1.00 0.00 C ATOM 871 CG HIS A 56 -4.478 -0.616 27.031 1.00 0.00 C ATOM 872 ND1 HIS A 56 -5.485 -0.203 26.184 1.00 0.00 N ATOM 873 CD2 HIS A 56 -4.972 -1.676 27.711 1.00 0.00 C ATOM 874 CE1 HIS A 56 -6.541 -0.979 26.348 1.00 0.00 C ATOM 875 NE2 HIS A 56 -6.256 -1.882 27.269 1.00 0.00 N ATOM 0 H HIS A 56 -3.047 -2.667 26.626 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.105 -0.430 26.608 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.083 0.644 28.012 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.050 0.750 26.263 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.453 -2.253 28.462 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.478 -0.890 25.819 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.887 -2.613 27.598 1.00 0.00 H new ATOM 883 N THR A 57 -1.744 -2.631 28.770 1.00 0.00 N ATOM 884 CA THR A 57 -1.425 -3.159 30.090 1.00 0.00 C ATOM 885 C THR A 57 -0.188 -2.482 30.669 1.00 0.00 C ATOM 886 O THR A 57 0.884 -2.506 30.066 1.00 0.00 O ATOM 887 CB THR A 57 -1.189 -4.681 30.045 1.00 0.00 C ATOM 888 OG1 THR A 57 -2.009 -5.273 29.031 1.00 0.00 O ATOM 889 CG2 THR A 57 -1.500 -5.317 31.391 1.00 0.00 C ATOM 0 H THR A 57 -2.086 -3.328 28.109 1.00 0.00 H new ATOM 0 HA THR A 57 -2.283 -2.950 30.729 1.00 0.00 H new ATOM 0 HB THR A 57 -0.139 -4.857 29.812 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.713 -5.810 29.452 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.326 -6.392 31.335 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.855 -4.885 32.156 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.543 -5.131 31.649 1.00 0.00 H new ATOM 897 N PHE A 58 -0.345 -1.879 31.843 1.00 0.00 N ATOM 898 CA PHE A 58 0.760 -1.194 32.504 1.00 0.00 C ATOM 899 C PHE A 58 0.624 -1.282 34.022 1.00 0.00 C ATOM 900 O PHE A 58 -0.432 -1.643 34.542 1.00 0.00 O ATOM 901 CB PHE A 58 0.813 0.272 32.069 1.00 0.00 C ATOM 902 CG PHE A 58 0.471 1.236 33.169 1.00 0.00 C ATOM 903 CD1 PHE A 58 1.439 1.654 34.068 1.00 0.00 C ATOM 904 CD2 PHE A 58 -0.819 1.724 33.304 1.00 0.00 C ATOM 905 CE1 PHE A 58 1.128 2.541 35.081 1.00 0.00 C ATOM 906 CE2 PHE A 58 -1.135 2.612 34.314 1.00 0.00 C ATOM 907 CZ PHE A 58 -0.161 3.020 35.205 1.00 0.00 C ATOM 0 H PHE A 58 -1.226 -1.851 32.356 1.00 0.00 H new ATOM 0 HA PHE A 58 1.687 -1.686 32.211 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.813 0.497 31.698 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.123 0.421 31.238 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.449 1.282 33.976 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.585 1.407 32.612 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.892 2.859 35.775 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.143 2.987 34.407 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.407 3.712 35.997 1.00 0.00 H new ATOM 917 N LEU A 59 1.701 -0.949 34.726 1.00 0.00 N ATOM 918 CA LEU A 59 1.704 -0.990 36.184 1.00 0.00 C ATOM 919 C LEU A 59 2.288 0.294 36.764 1.00 0.00 C ATOM 920 O LEU A 59 3.265 0.834 36.244 1.00 0.00 O ATOM 921 CB LEU A 59 2.504 -2.196 36.678 1.00 0.00 C ATOM 922 CG LEU A 59 1.780 -3.543 36.642 1.00 0.00 C ATOM 923 CD1 LEU A 59 2.562 -4.590 37.420 1.00 0.00 C ATOM 924 CD2 LEU A 59 0.370 -3.406 37.198 1.00 0.00 C ATOM 0 H LEU A 59 2.583 -0.648 34.311 1.00 0.00 H new ATOM 0 HA LEU A 59 0.672 -1.083 36.522 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.410 -2.277 36.077 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.818 -2.003 37.704 1.00 0.00 H new ATOM 0 HG LEU A 59 1.710 -3.868 35.604 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.032 -5.542 37.383 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.551 -4.708 36.978 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.664 -4.271 38.457 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.130 -4.374 37.165 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.418 -3.058 38.230 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.189 -2.688 36.598 1.00 0.00 H new ATOM 936 N CYS A 60 1.684 0.777 37.844 1.00 0.00 N ATOM 937 CA CYS A 60 2.144 1.997 38.497 1.00 0.00 C ATOM 938 C CYS A 60 3.542 1.809 39.079 1.00 0.00 C ATOM 939 O CYS A 60 3.957 0.688 39.374 1.00 0.00 O ATOM 940 CB CYS A 60 1.170 2.407 39.603 1.00 0.00 C ATOM 941 SG CYS A 60 -0.584 2.318 39.120 1.00 0.00 S ATOM 0 H CYS A 60 0.874 0.342 38.286 1.00 0.00 H new ATOM 0 HA CYS A 60 2.185 2.787 37.747 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.330 1.765 40.470 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.399 3.426 39.914 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.987 1.083 39.175 1.00 0.00 H new ATOM 946 N SER A 61 4.264 2.913 39.241 1.00 0.00 N ATOM 947 CA SER A 61 5.616 2.870 39.784 1.00 0.00 C ATOM 948 C SER A 61 5.592 2.937 41.308 1.00 0.00 C ATOM 949 O SER A 61 6.585 2.637 41.971 1.00 0.00 O ATOM 950 CB SER A 61 6.451 4.023 39.225 1.00 0.00 C ATOM 951 OG SER A 61 6.131 4.272 37.866 1.00 0.00 O ATOM 0 H SER A 61 3.935 3.849 39.004 1.00 0.00 H new ATOM 0 HA SER A 61 6.070 1.925 39.486 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.275 4.923 39.814 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.511 3.786 39.315 1.00 0.00 H new ATOM 0 HG SER A 61 6.342 5.203 37.645 1.00 0.00 H new ATOM 957 N LYS A 62 4.449 3.335 41.858 1.00 0.00 N ATOM 958 CA LYS A 62 4.292 3.442 43.304 1.00 0.00 C ATOM 959 C LYS A 62 4.590 2.109 43.984 1.00 0.00 C ATOM 960 O LYS A 62 5.202 2.069 45.052 1.00 0.00 O ATOM 961 CB LYS A 62 2.873 3.897 43.651 1.00 0.00 C ATOM 962 CG LYS A 62 1.903 2.749 43.873 1.00 0.00 C ATOM 963 CD LYS A 62 0.460 3.199 43.719 1.00 0.00 C ATOM 964 CE LYS A 62 0.054 4.155 44.831 1.00 0.00 C ATOM 965 NZ LYS A 62 0.599 3.734 46.151 1.00 0.00 N ATOM 0 H LYS A 62 3.618 3.589 41.324 1.00 0.00 H new ATOM 0 HA LYS A 62 5.004 4.183 43.668 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.907 4.512 44.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.496 4.529 42.847 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.114 1.951 43.161 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.051 2.334 44.870 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.331 3.687 42.753 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.197 2.329 43.727 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.409 5.158 44.595 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.033 4.206 44.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.039 4.168 46.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.550 2.698 46.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.589 4.041 46.231 1.00 0.00 H new ATOM 979 N HIS A 63 4.157 1.020 43.357 1.00 0.00 N ATOM 980 CA HIS A 63 4.380 -0.315 43.901 1.00 0.00 C ATOM 981 C HIS A 63 5.862 -0.675 43.867 1.00 0.00 C ATOM 982 O HIS A 63 6.402 -1.218 44.831 1.00 0.00 O ATOM 983 CB HIS A 63 3.573 -1.350 43.117 1.00 0.00 C ATOM 984 CG HIS A 63 2.162 -0.929 42.846 1.00 0.00 C ATOM 985 ND1 HIS A 63 1.194 -0.864 43.826 1.00 0.00 N ATOM 986 CD2 HIS A 63 1.556 -0.549 41.696 1.00 0.00 C ATOM 987 CE1 HIS A 63 0.055 -0.464 43.291 1.00 0.00 C ATOM 988 NE2 HIS A 63 0.247 -0.265 42.000 1.00 0.00 N ATOM 0 H HIS A 63 3.650 1.036 42.472 1.00 0.00 H new ATOM 0 HA HIS A 63 4.048 -0.317 44.939 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.073 -1.546 42.169 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.563 -2.288 43.672 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.336 -1.090 44.811 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.016 -0.482 40.721 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.876 -0.323 43.820 1.00 0.00 H new ATOM 996 N PHE A 64 6.514 -0.370 42.750 1.00 0.00 N ATOM 997 CA PHE A 64 7.934 -0.663 42.589 1.00 0.00 C ATOM 998 C PHE A 64 8.763 0.069 43.640 1.00 0.00 C ATOM 999 O PHE A 64 8.275 0.983 44.303 1.00 0.00 O ATOM 1000 CB PHE A 64 8.402 -0.267 41.187 1.00 0.00 C ATOM 1001 CG PHE A 64 8.045 -1.272 40.129 1.00 0.00 C ATOM 1002 CD1 PHE A 64 6.742 -1.378 39.668 1.00 0.00 C ATOM 1003 CD2 PHE A 64 9.011 -2.111 39.597 1.00 0.00 C ATOM 1004 CE1 PHE A 64 6.411 -2.302 38.695 1.00 0.00 C ATOM 1005 CE2 PHE A 64 8.685 -3.037 38.624 1.00 0.00 C ATOM 1006 CZ PHE A 64 7.383 -3.132 38.172 1.00 0.00 C ATOM 0 H PHE A 64 6.082 0.080 41.943 1.00 0.00 H new ATOM 0 HA PHE A 64 8.076 -1.735 42.723 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.963 0.696 40.925 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.484 -0.132 41.198 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.978 -0.732 40.073 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.030 -2.041 39.947 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.392 -2.375 38.344 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.447 -3.685 38.218 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.126 -3.854 37.411 1.00 0.00 H new ATOM 1016 N GLU A 65 10.019 -0.341 43.785 1.00 0.00 N ATOM 1017 CA GLU A 65 10.915 0.274 44.757 1.00 0.00 C ATOM 1018 C GLU A 65 11.629 1.479 44.151 1.00 0.00 C ATOM 1019 O GLU A 65 12.235 2.278 44.864 1.00 0.00 O ATOM 1020 CB GLU A 65 11.943 -0.745 45.253 1.00 0.00 C ATOM 1021 CG GLU A 65 11.352 -1.814 46.157 1.00 0.00 C ATOM 1022 CD GLU A 65 11.626 -1.553 47.626 1.00 0.00 C ATOM 1023 OE1 GLU A 65 12.695 -1.977 48.113 1.00 0.00 O ATOM 1024 OE2 GLU A 65 10.773 -0.926 48.287 1.00 0.00 O ATOM 0 H GLU A 65 10.439 -1.096 43.242 1.00 0.00 H new ATOM 0 HA GLU A 65 10.315 0.614 45.601 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.410 -1.225 44.393 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.732 -0.220 45.792 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.275 -1.866 45.996 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.763 -2.785 45.882 1.00 0.00 H new ATOM 1031 N ALA A 66 11.553 1.602 42.830 1.00 0.00 N ATOM 1032 CA ALA A 66 12.190 2.709 42.127 1.00 0.00 C ATOM 1033 C ALA A 66 13.692 2.483 41.994 1.00 0.00 C ATOM 1034 O ALA A 66 14.380 3.217 41.284 1.00 0.00 O ATOM 1035 CB ALA A 66 11.914 4.020 42.847 1.00 0.00 C ATOM 0 H ALA A 66 11.056 0.948 42.225 1.00 0.00 H new ATOM 0 HA ALA A 66 11.766 2.762 41.124 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.396 4.838 42.311 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.839 4.195 42.885 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.310 3.968 43.861 1.00 0.00 H new ATOM 1041 N SER A 67 14.196 1.463 42.682 1.00 0.00 N ATOM 1042 CA SER A 67 15.618 1.143 42.643 1.00 0.00 C ATOM 1043 C SER A 67 15.960 0.335 41.395 1.00 0.00 C ATOM 1044 O SER A 67 17.111 -0.048 41.187 1.00 0.00 O ATOM 1045 CB SER A 67 16.020 0.362 43.896 1.00 0.00 C ATOM 1046 OG SER A 67 17.196 0.899 44.476 1.00 0.00 O ATOM 0 H SER A 67 13.641 0.844 43.273 1.00 0.00 H new ATOM 0 HA SER A 67 16.175 2.079 42.612 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.207 0.390 44.622 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.183 -0.685 43.639 1.00 0.00 H new ATOM 0 HG SER A 67 17.431 0.384 45.276 1.00 0.00 H new ATOM 1052 N CYS A 68 14.952 0.081 40.568 1.00 0.00 N ATOM 1053 CA CYS A 68 15.144 -0.682 39.340 1.00 0.00 C ATOM 1054 C CYS A 68 15.194 0.242 38.128 1.00 0.00 C ATOM 1055 O CYS A 68 15.358 -0.211 36.995 1.00 0.00 O ATOM 1056 CB CYS A 68 14.020 -1.706 39.170 1.00 0.00 C ATOM 1057 SG CYS A 68 12.889 -1.801 40.577 1.00 0.00 S ATOM 0 H CYS A 68 13.994 0.392 40.726 1.00 0.00 H new ATOM 0 HA CYS A 68 16.096 -1.207 39.413 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.449 -1.458 38.275 1.00 0.00 H new ATOM 0 HB3 CYS A 68 14.461 -2.689 39.005 1.00 0.00 H new ATOM 0 HG CYS A 68 11.973 -2.692 40.338 1.00 0.00 H new ATOM 1063 N PHE A 69 15.050 1.540 38.374 1.00 0.00 N ATOM 1064 CA PHE A 69 15.076 2.529 37.303 1.00 0.00 C ATOM 1065 C PHE A 69 16.511 2.876 36.918 1.00 0.00 C ATOM 1066 O PHE A 69 17.464 2.354 37.497 1.00 0.00 O ATOM 1067 CB PHE A 69 14.330 3.795 37.730 1.00 0.00 C ATOM 1068 CG PHE A 69 12.847 3.601 37.862 1.00 0.00 C ATOM 1069 CD1 PHE A 69 12.334 2.610 38.683 1.00 0.00 C ATOM 1070 CD2 PHE A 69 11.965 4.410 37.164 1.00 0.00 C ATOM 1071 CE1 PHE A 69 10.969 2.429 38.807 1.00 0.00 C ATOM 1072 CE2 PHE A 69 10.599 4.234 37.284 1.00 0.00 C ATOM 1073 CZ PHE A 69 10.101 3.242 38.105 1.00 0.00 C ATOM 0 H PHE A 69 14.914 1.931 39.306 1.00 0.00 H new ATOM 0 HA PHE A 69 14.579 2.099 36.433 1.00 0.00 H new ATOM 0 HB2 PHE A 69 14.730 4.138 38.684 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.522 4.583 37.002 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.009 1.971 39.233 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.349 5.187 36.519 1.00 0.00 H new ATOM 0 HE1 PHE A 69 10.582 1.653 39.451 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.922 4.872 36.736 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.034 3.102 38.198 1.00 0.00 H new ATOM 1083 N ASP A 70 16.657 3.759 35.936 1.00 0.00 N ATOM 1084 CA ASP A 70 17.975 4.177 35.473 1.00 0.00 C ATOM 1085 C ASP A 70 18.167 5.678 35.662 1.00 0.00 C ATOM 1086 O ASP A 70 17.654 6.484 34.884 1.00 0.00 O ATOM 1087 CB ASP A 70 18.162 3.808 34.000 1.00 0.00 C ATOM 1088 CG ASP A 70 19.461 3.068 33.749 1.00 0.00 C ATOM 1089 OD1 ASP A 70 19.836 2.225 34.591 1.00 0.00 O ATOM 1090 OD2 ASP A 70 20.102 3.330 32.710 1.00 0.00 O ATOM 0 H ASP A 70 15.879 4.199 35.445 1.00 0.00 H new ATOM 0 HA ASP A 70 18.724 3.655 36.069 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.326 3.189 33.675 1.00 0.00 H new ATOM 0 HB3 ASP A 70 18.141 4.715 33.396 1.00 0.00 H new ATOM 1095 N LEU A 71 18.907 6.048 36.702 1.00 0.00 N ATOM 1096 CA LEU A 71 19.166 7.454 36.995 1.00 0.00 C ATOM 1097 C LEU A 71 20.665 7.727 37.071 1.00 0.00 C ATOM 1098 O LEU A 71 21.314 7.978 36.055 1.00 0.00 O ATOM 1099 CB LEU A 71 18.496 7.852 38.311 1.00 0.00 C ATOM 1100 CG LEU A 71 18.287 6.727 39.326 1.00 0.00 C ATOM 1101 CD1 LEU A 71 17.943 7.298 40.693 1.00 0.00 C ATOM 1102 CD2 LEU A 71 17.196 5.778 38.853 1.00 0.00 C ATOM 0 H LEU A 71 19.338 5.395 37.356 1.00 0.00 H new ATOM 0 HA LEU A 71 18.747 8.052 36.186 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.097 8.631 38.781 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.526 8.293 38.083 1.00 0.00 H new ATOM 0 HG LEU A 71 19.217 6.165 39.413 1.00 0.00 H new ATOM 0 HD11 LEU A 71 17.798 6.483 41.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.757 7.936 41.036 1.00 0.00 H new ATOM 0 HD13 LEU A 71 17.027 7.885 40.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.061 4.984 39.587 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.262 6.327 38.736 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.483 5.342 37.896 1.00 0.00 H new ATOM 1152 N THR A 75 17.484 10.890 33.796 1.00 0.00 N ATOM 1153 CA THR A 75 16.132 10.810 34.334 1.00 0.00 C ATOM 1154 C THR A 75 15.883 9.459 34.996 1.00 0.00 C ATOM 1155 O THR A 75 16.820 8.707 35.266 1.00 0.00 O ATOM 1156 CB THR A 75 15.075 11.033 33.236 1.00 0.00 C ATOM 1157 OG1 THR A 75 13.777 11.169 33.825 1.00 0.00 O ATOM 1158 CG2 THR A 75 15.070 9.877 32.247 1.00 0.00 C ATOM 0 HA THR A 75 16.042 11.600 35.080 1.00 0.00 H new ATOM 0 HB THR A 75 15.328 11.948 32.700 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.111 11.312 33.120 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.316 10.057 31.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.051 9.795 31.778 1.00 0.00 H new ATOM 0 HG23 THR A 75 14.840 8.950 32.772 1.00 0.00 H new ATOM 1166 N ARG A 76 14.615 9.157 35.255 1.00 0.00 N ATOM 1167 CA ARG A 76 14.243 7.896 35.886 1.00 0.00 C ATOM 1168 C ARG A 76 13.543 6.976 34.890 1.00 0.00 C ATOM 1169 O ARG A 76 12.376 7.180 34.556 1.00 0.00 O ATOM 1170 CB ARG A 76 13.333 8.152 37.088 1.00 0.00 C ATOM 1171 CG ARG A 76 13.860 7.565 38.387 1.00 0.00 C ATOM 1172 CD ARG A 76 14.548 8.621 39.237 1.00 0.00 C ATOM 1173 NE ARG A 76 13.877 8.815 40.520 1.00 0.00 N ATOM 1174 CZ ARG A 76 14.161 9.807 41.355 1.00 0.00 C ATOM 1175 NH1 ARG A 76 15.098 10.693 41.045 1.00 0.00 N ATOM 1176 NH2 ARG A 76 13.507 9.916 42.505 1.00 0.00 N ATOM 0 H ARG A 76 13.828 9.768 35.038 1.00 0.00 H new ATOM 0 HA ARG A 76 15.155 7.406 36.228 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.202 9.227 37.212 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.348 7.733 36.883 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.036 7.124 38.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.562 6.761 38.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.584 8.328 39.410 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.570 9.566 38.693 1.00 0.00 H new ATOM 0 HE ARG A 76 13.150 8.152 40.789 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.603 10.613 40.162 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.313 11.454 41.689 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.785 9.237 42.748 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.726 10.679 43.146 1.00 0.00 H new ATOM 1190 N ARG A 77 14.264 5.964 34.420 1.00 0.00 N ATOM 1191 CA ARG A 77 13.713 5.013 33.462 1.00 0.00 C ATOM 1192 C ARG A 77 13.698 3.602 34.042 1.00 0.00 C ATOM 1193 O ARG A 77 14.727 3.091 34.487 1.00 0.00 O ATOM 1194 CB ARG A 77 14.525 5.034 32.165 1.00 0.00 C ATOM 1195 CG ARG A 77 14.526 6.386 31.469 1.00 0.00 C ATOM 1196 CD ARG A 77 15.137 6.296 30.080 1.00 0.00 C ATOM 1197 NE ARG A 77 16.028 7.419 29.800 1.00 0.00 N ATOM 1198 CZ ARG A 77 16.772 7.512 28.704 1.00 0.00 C ATOM 1199 NH1 ARG A 77 16.733 6.553 27.789 1.00 0.00 N ATOM 1200 NH2 ARG A 77 17.558 8.565 28.521 1.00 0.00 N ATOM 0 H ARG A 77 15.231 5.781 34.687 1.00 0.00 H new ATOM 0 HA ARG A 77 12.687 5.309 33.245 1.00 0.00 H new ATOM 0 HB2 ARG A 77 15.553 4.747 32.385 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.124 4.284 31.483 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.505 6.759 31.395 1.00 0.00 H new ATOM 0 HG3 ARG A 77 15.085 7.105 32.068 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.691 5.362 29.988 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.342 6.270 29.335 1.00 0.00 H new ATOM 0 HE ARG A 77 16.082 8.174 30.484 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.131 5.741 27.926 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.305 6.627 26.948 1.00 0.00 H new ATOM 0 HH21 ARG A 77 17.591 9.305 29.223 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.129 8.635 27.679 1.00 0.00 H new ATOM 1214 N LEU A 78 12.526 2.977 34.035 1.00 0.00 N ATOM 1215 CA LEU A 78 12.377 1.625 34.562 1.00 0.00 C ATOM 1216 C LEU A 78 13.098 0.613 33.677 1.00 0.00 C ATOM 1217 O LEU A 78 12.797 0.483 32.490 1.00 0.00 O ATOM 1218 CB LEU A 78 10.896 1.259 34.670 1.00 0.00 C ATOM 1219 CG LEU A 78 10.573 -0.002 35.472 1.00 0.00 C ATOM 1220 CD1 LEU A 78 11.384 -1.182 34.959 1.00 0.00 C ATOM 1221 CD2 LEU A 78 10.835 0.225 36.953 1.00 0.00 C ATOM 0 H LEU A 78 11.665 3.385 33.670 1.00 0.00 H new ATOM 0 HA LEU A 78 12.826 1.597 35.555 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.367 2.098 35.122 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.498 1.137 33.663 1.00 0.00 H new ATOM 0 HG LEU A 78 9.515 -0.231 35.343 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.141 -2.071 35.541 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.145 -1.359 33.910 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.447 -0.963 35.057 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.599 -0.683 37.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.884 0.479 37.102 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.209 1.042 37.312 1.00 0.00 H new ATOM 1233 N LYS A 79 14.052 -0.103 34.262 1.00 0.00 N ATOM 1234 CA LYS A 79 14.815 -1.106 33.529 1.00 0.00 C ATOM 1235 C LYS A 79 13.951 -2.322 33.212 1.00 0.00 C ATOM 1236 O LYS A 79 13.332 -2.904 34.102 1.00 0.00 O ATOM 1237 CB LYS A 79 16.041 -1.535 34.338 1.00 0.00 C ATOM 1238 CG LYS A 79 17.091 -0.446 34.476 1.00 0.00 C ATOM 1239 CD LYS A 79 18.024 -0.715 35.645 1.00 0.00 C ATOM 1240 CE LYS A 79 18.799 -2.009 35.453 1.00 0.00 C ATOM 1241 NZ LYS A 79 19.528 -2.033 34.154 1.00 0.00 N ATOM 0 H LYS A 79 14.315 -0.007 35.243 1.00 0.00 H new ATOM 0 HA LYS A 79 15.144 -0.662 32.590 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.719 -1.846 35.332 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.493 -2.406 33.863 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.670 -0.379 33.555 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.601 0.518 34.615 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.722 0.115 35.754 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.446 -0.769 36.568 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.510 -2.131 36.270 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.112 -2.854 35.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.222 -2.807 34.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.851 -2.181 33.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.020 -1.127 34.015 1.00 0.00 H new ATOM 1255 N MET A 80 13.916 -2.702 31.939 1.00 0.00 N ATOM 1256 CA MET A 80 13.130 -3.851 31.506 1.00 0.00 C ATOM 1257 C MET A 80 13.530 -5.105 32.277 1.00 0.00 C ATOM 1258 O MET A 80 12.815 -6.107 32.264 1.00 0.00 O ATOM 1259 CB MET A 80 13.310 -4.082 30.004 1.00 0.00 C ATOM 1260 CG MET A 80 14.676 -3.666 29.485 1.00 0.00 C ATOM 1261 SD MET A 80 15.230 -4.679 28.100 1.00 0.00 S ATOM 1262 CE MET A 80 13.846 -4.502 26.976 1.00 0.00 C ATOM 0 H MET A 80 14.423 -2.231 31.190 1.00 0.00 H new ATOM 0 HA MET A 80 12.080 -3.640 31.711 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.154 -5.138 29.786 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.541 -3.528 29.465 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.640 -2.622 29.175 1.00 0.00 H new ATOM 0 HG3 MET A 80 15.404 -3.734 30.294 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.122 -4.889 25.995 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.992 -5.061 27.359 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.581 -3.448 26.889 1.00 0.00 H new ATOM 1272 N ASP A 81 14.676 -5.042 32.946 1.00 0.00 N ATOM 1273 CA ASP A 81 15.170 -6.173 33.723 1.00 0.00 C ATOM 1274 C ASP A 81 14.672 -6.101 35.164 1.00 0.00 C ATOM 1275 O ASP A 81 15.115 -6.864 36.022 1.00 0.00 O ATOM 1276 CB ASP A 81 16.699 -6.205 33.700 1.00 0.00 C ATOM 1277 CG ASP A 81 17.306 -5.839 35.040 1.00 0.00 C ATOM 1278 OD1 ASP A 81 16.979 -4.753 35.563 1.00 0.00 O ATOM 1279 OD2 ASP A 81 18.108 -6.638 35.566 1.00 0.00 O ATOM 0 H ASP A 81 15.280 -4.220 32.966 1.00 0.00 H new ATOM 0 HA ASP A 81 14.788 -7.088 33.271 1.00 0.00 H new ATOM 0 HB2 ASP A 81 17.034 -7.202 33.413 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.063 -5.514 32.939 1.00 0.00 H new ATOM 1284 N ALA A 82 13.750 -5.179 35.421 1.00 0.00 N ATOM 1285 CA ALA A 82 13.192 -5.009 36.756 1.00 0.00 C ATOM 1286 C ALA A 82 11.813 -5.651 36.861 1.00 0.00 C ATOM 1287 O ALA A 82 11.121 -5.827 35.857 1.00 0.00 O ATOM 1288 CB ALA A 82 13.117 -3.531 37.112 1.00 0.00 C ATOM 0 H ALA A 82 13.374 -4.539 34.722 1.00 0.00 H new ATOM 0 HA ALA A 82 13.851 -5.510 37.465 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.698 -3.418 38.112 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.118 -3.099 37.087 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.481 -3.015 36.392 1.00 0.00 H new ATOM 1294 N VAL A 83 11.418 -5.999 38.081 1.00 0.00 N ATOM 1295 CA VAL A 83 10.121 -6.622 38.317 1.00 0.00 C ATOM 1296 C VAL A 83 9.491 -6.108 39.606 1.00 0.00 C ATOM 1297 O VAL A 83 10.179 -5.725 40.553 1.00 0.00 O ATOM 1298 CB VAL A 83 10.239 -8.156 38.392 1.00 0.00 C ATOM 1299 CG1 VAL A 83 9.734 -8.794 37.107 1.00 0.00 C ATOM 1300 CG2 VAL A 83 11.678 -8.565 38.670 1.00 0.00 C ATOM 0 H VAL A 83 11.978 -5.860 38.922 1.00 0.00 H new ATOM 0 HA VAL A 83 9.484 -6.356 37.473 1.00 0.00 H new ATOM 0 HB VAL A 83 9.618 -8.512 39.214 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.825 -9.878 37.179 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.688 -8.527 36.955 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.326 -8.435 36.265 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.744 -9.652 38.720 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.321 -8.199 37.870 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.001 -8.138 39.619 1.00 0.00 H new ATOM 1310 N PRO A 84 8.150 -6.100 39.647 1.00 0.00 N ATOM 1311 CA PRO A 84 7.397 -5.636 40.817 1.00 0.00 C ATOM 1312 C PRO A 84 7.525 -6.586 42.002 1.00 0.00 C ATOM 1313 O PRO A 84 6.610 -7.356 42.297 1.00 0.00 O ATOM 1314 CB PRO A 84 5.951 -5.599 40.315 1.00 0.00 C ATOM 1315 CG PRO A 84 5.910 -6.590 39.203 1.00 0.00 C ATOM 1316 CD PRO A 84 7.266 -6.543 38.556 1.00 0.00 C ATOM 0 HA PRO A 84 7.761 -4.676 41.182 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.250 -5.863 41.107 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.678 -4.603 39.967 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.692 -7.590 39.579 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.127 -6.341 38.487 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.561 -7.519 38.171 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.286 -5.849 37.716 1.00 0.00 H new ATOM 1324 N THR A 85 8.666 -6.527 42.682 1.00 0.00 N ATOM 1325 CA THR A 85 8.914 -7.383 43.835 1.00 0.00 C ATOM 1326 C THR A 85 8.405 -6.736 45.119 1.00 0.00 C ATOM 1327 O THR A 85 9.075 -6.774 46.151 1.00 0.00 O ATOM 1328 CB THR A 85 10.415 -7.695 43.991 1.00 0.00 C ATOM 1329 OG1 THR A 85 11.165 -6.476 44.051 1.00 0.00 O ATOM 1330 CG2 THR A 85 10.913 -8.547 42.834 1.00 0.00 C ATOM 0 H THR A 85 9.433 -5.895 42.454 1.00 0.00 H new ATOM 0 HA THR A 85 8.373 -8.313 43.660 1.00 0.00 H new ATOM 0 HB THR A 85 10.554 -8.252 44.918 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.118 -6.683 44.152 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.975 -8.755 42.966 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.360 -9.486 42.809 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.761 -8.012 41.897 1.00 0.00 H new ATOM 1338 N ILE A 86 7.217 -6.145 45.047 1.00 0.00 N ATOM 1339 CA ILE A 86 6.618 -5.493 46.204 1.00 0.00 C ATOM 1340 C ILE A 86 5.121 -5.769 46.278 1.00 0.00 C ATOM 1341 O ILE A 86 4.662 -6.544 47.118 1.00 0.00 O ATOM 1342 CB ILE A 86 6.847 -3.970 46.173 1.00 0.00 C ATOM 1343 CG1 ILE A 86 8.339 -3.658 46.038 1.00 0.00 C ATOM 1344 CG2 ILE A 86 6.276 -3.322 47.425 1.00 0.00 C ATOM 1345 CD1 ILE A 86 8.721 -3.106 44.683 1.00 0.00 C ATOM 0 H ILE A 86 6.651 -6.105 44.200 1.00 0.00 H new ATOM 0 HA ILE A 86 7.105 -5.908 47.087 1.00 0.00 H new ATOM 0 HB ILE A 86 6.330 -3.558 45.307 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.623 -2.939 46.807 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.910 -4.567 46.225 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.446 -2.246 47.388 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.205 -3.519 47.480 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.767 -3.736 48.305 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.793 -2.908 44.660 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.469 -3.832 43.910 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.177 -2.179 44.501 1.00 0.00 H new ATOM 1357 N PHE A 87 4.363 -5.133 45.391 1.00 0.00 N ATOM 1358 CA PHE A 87 2.916 -5.311 45.354 1.00 0.00 C ATOM 1359 C PHE A 87 2.322 -5.230 46.758 1.00 0.00 C ATOM 1360 O PHE A 87 1.872 -6.234 47.312 1.00 0.00 O ATOM 1361 CB PHE A 87 2.562 -6.655 44.715 1.00 0.00 C ATOM 1362 CG PHE A 87 2.249 -6.558 43.250 1.00 0.00 C ATOM 1363 CD1 PHE A 87 1.021 -6.080 42.821 1.00 0.00 C ATOM 1364 CD2 PHE A 87 3.182 -6.943 42.301 1.00 0.00 C ATOM 1365 CE1 PHE A 87 0.729 -5.991 41.473 1.00 0.00 C ATOM 1366 CE2 PHE A 87 2.896 -6.855 40.951 1.00 0.00 C ATOM 1367 CZ PHE A 87 1.669 -6.377 40.537 1.00 0.00 C ATOM 0 H PHE A 87 4.727 -4.490 44.688 1.00 0.00 H new ATOM 0 HA PHE A 87 2.492 -4.508 44.752 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.394 -7.345 44.856 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.703 -7.080 45.234 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.284 -5.774 43.548 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.144 -7.316 42.619 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.233 -5.620 41.152 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.632 -7.160 40.221 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.444 -6.305 39.483 1.00 0.00 H new