USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 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 7 SER OG : rot 36:sc= 0.306 USER MOD Set 1.2: A 71 LYS NZ :NH3+ -171:sc= 0.109 (180deg=0) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.91 K(o=3.4,f=-10!) USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= -0.406 USER MOD Set 2.3: A 62 TYR OH : rot 30:sc= 0.866 USER MOD Set 3.1: A 32 CYS SG : rot 180:sc= 0.944 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0) USER MOD Single : A 8 CYS SG : rot 28:sc= 0.00144 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 15 SER OG : rot 180:sc= 0.111 USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 2.2 (180deg=1.81) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 19 TYR OH : rot 90:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0103 USER MOD Single : A 28 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-2.5) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 136:sc= 0.514 (180deg=-0.179!) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 39 MET CE :methyl -174:sc=-0.000342 (180deg=-0.0703) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 27:sc= 1.25 USER MOD Single : A 52 GLN : amide:sc= -0.186 K(o=-0.19,f=-1) USER MOD Single : A 54 THR OG1 : rot 69:sc= -1.18! USER MOD Single : A 57 GLN : amide:sc= -0.105 K(o=-0.1,f=-0.74) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.399 F(o=-2.3!,f=-0.4) USER MOD Single : A 72 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= -0.407 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0198 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -13.444 4.367 -2.977 1.00 0.00 N ATOM 79 CA SER A 7 -13.099 3.368 -2.068 1.00 0.00 C ATOM 80 C SER A 7 -11.820 3.765 -1.405 1.00 0.00 C ATOM 81 O SER A 7 -11.030 4.477 -1.999 1.00 0.00 O ATOM 82 CB SER A 7 -12.942 2.098 -2.871 1.00 0.00 C ATOM 83 OG SER A 7 -14.158 1.810 -3.548 1.00 0.00 O ATOM 0 HA SER A 7 -13.848 3.219 -1.290 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.131 2.208 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.675 1.271 -2.214 1.00 0.00 H new ATOM 0 HG SER A 7 -14.576 2.647 -3.839 1.00 0.00 H new ATOM 89 N CYS A 8 -11.614 3.348 -0.198 1.00 0.00 N ATOM 90 CA CYS A 8 -10.432 3.731 0.497 1.00 0.00 C ATOM 91 C CYS A 8 -9.881 2.584 1.302 1.00 0.00 C ATOM 92 O CYS A 8 -10.631 1.862 1.954 1.00 0.00 O ATOM 93 CB CYS A 8 -10.729 4.937 1.386 1.00 0.00 C ATOM 94 SG CYS A 8 -12.101 4.688 2.542 1.00 0.00 S ATOM 0 H CYS A 8 -12.248 2.744 0.325 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.670 4.010 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.832 5.186 1.953 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.954 5.795 0.752 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.202 3.424 2.830 1.00 0.00 H new ATOM 100 N VAL A 9 -8.591 2.415 1.253 1.00 0.00 N ATOM 101 CA VAL A 9 -7.945 1.400 2.044 1.00 0.00 C ATOM 102 C VAL A 9 -7.245 2.092 3.166 1.00 0.00 C ATOM 103 O VAL A 9 -6.527 3.085 2.944 1.00 0.00 O ATOM 104 CB VAL A 9 -6.888 0.544 1.248 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.136 -0.395 2.180 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.537 -0.276 0.154 1.00 0.00 C ATOM 0 H VAL A 9 -7.961 2.968 0.672 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.714 0.704 2.381 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.193 1.251 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.413 -0.975 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.614 0.187 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.842 -1.071 2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.774 -0.851 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.267 -0.956 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.038 0.388 -0.550 1.00 0.00 H new ATOM 116 N HIS A 10 -7.505 1.625 4.357 1.00 0.00 N ATOM 117 CA HIS A 10 -6.862 2.126 5.530 1.00 0.00 C ATOM 118 C HIS A 10 -5.505 1.527 5.589 1.00 0.00 C ATOM 119 O HIS A 10 -5.362 0.309 5.719 1.00 0.00 O ATOM 120 CB HIS A 10 -7.644 1.763 6.795 1.00 0.00 C ATOM 121 CG HIS A 10 -8.938 2.485 6.956 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.184 3.375 7.968 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.081 2.412 6.231 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.440 3.807 7.841 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.031 3.255 6.795 1.00 0.00 N ATOM 0 H HIS A 10 -8.177 0.879 4.537 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.811 3.214 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.840 0.691 6.789 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.019 1.968 7.664 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.230 1.797 5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.912 4.515 8.506 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.985 3.415 6.470 1.00 0.00 H new ATOM 133 N TYR A 11 -4.523 2.333 5.455 1.00 0.00 N ATOM 134 CA TYR A 11 -3.189 1.855 5.467 1.00 0.00 C ATOM 135 C TYR A 11 -2.366 2.755 6.338 1.00 0.00 C ATOM 136 O TYR A 11 -2.551 3.961 6.318 1.00 0.00 O ATOM 137 CB TYR A 11 -2.610 1.788 4.034 1.00 0.00 C ATOM 138 CG TYR A 11 -2.288 3.130 3.390 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.249 3.854 2.710 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.001 3.665 3.474 1.00 0.00 C ATOM 141 CE1 TYR A 11 -2.939 5.066 2.133 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.688 4.869 2.901 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.661 5.567 2.233 1.00 0.00 C ATOM 144 OH TYR A 11 -1.358 6.765 1.656 1.00 0.00 O ATOM 0 H TYR A 11 -4.616 3.341 5.334 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.169 0.841 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.700 1.189 4.057 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.322 1.262 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.254 3.466 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.235 3.117 4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.698 5.622 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.314 5.264 2.975 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.415 6.977 1.819 1.00 0.00 H new ATOM 154 N LYS A 12 -1.510 2.211 7.126 1.00 0.00 N ATOM 155 CA LYS A 12 -0.666 3.055 7.904 1.00 0.00 C ATOM 156 C LYS A 12 0.761 2.706 7.658 1.00 0.00 C ATOM 157 O LYS A 12 1.118 1.529 7.532 1.00 0.00 O ATOM 158 CB LYS A 12 -1.021 3.076 9.407 1.00 0.00 C ATOM 159 CG LYS A 12 -0.725 1.826 10.197 1.00 0.00 C ATOM 160 CD LYS A 12 -1.158 2.015 11.642 1.00 0.00 C ATOM 161 CE LYS A 12 -0.845 0.798 12.485 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.293 0.956 13.881 1.00 0.00 N ATOM 0 H LYS A 12 -1.373 1.208 7.251 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.837 4.080 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.485 3.905 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.085 3.292 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.248 0.976 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.341 1.601 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.656 2.887 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.229 2.216 11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.325 -0.078 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.229 0.614 12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.058 0.098 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.816 1.775 14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.322 1.106 13.901 1.00 0.00 H new ATOM 176 N PHE A 13 1.552 3.714 7.508 1.00 0.00 N ATOM 177 CA PHE A 13 2.951 3.549 7.277 1.00 0.00 C ATOM 178 C PHE A 13 3.632 3.486 8.633 1.00 0.00 C ATOM 179 O PHE A 13 3.006 3.798 9.650 1.00 0.00 O ATOM 180 CB PHE A 13 3.471 4.743 6.473 1.00 0.00 C ATOM 181 CG PHE A 13 4.324 4.373 5.312 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.632 3.970 5.487 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.805 4.424 4.034 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.403 3.611 4.409 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.573 4.075 2.952 1.00 0.00 C ATOM 186 CZ PHE A 13 5.871 3.666 3.137 1.00 0.00 C ATOM 0 H PHE A 13 1.245 4.686 7.542 1.00 0.00 H new ATOM 0 HA PHE A 13 3.155 2.639 6.713 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.621 5.323 6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.042 5.392 7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.053 3.937 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.784 4.742 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.423 3.287 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.157 4.122 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.476 3.387 2.287 1.00 0.00 H new ATOM 196 N SER A 14 4.896 3.150 8.656 1.00 0.00 N ATOM 197 CA SER A 14 5.653 3.037 9.891 1.00 0.00 C ATOM 198 C SER A 14 5.821 4.403 10.596 1.00 0.00 C ATOM 199 O SER A 14 6.189 4.477 11.775 1.00 0.00 O ATOM 200 CB SER A 14 6.996 2.417 9.569 1.00 0.00 C ATOM 201 OG SER A 14 7.601 3.098 8.474 1.00 0.00 O ATOM 0 H SER A 14 5.439 2.944 7.817 1.00 0.00 H new ATOM 0 HA SER A 14 5.107 2.402 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.647 2.467 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.869 1.362 9.326 1.00 0.00 H new ATOM 0 HG SER A 14 8.470 2.690 8.275 1.00 0.00 H new ATOM 207 N SER A 15 5.566 5.458 9.866 1.00 0.00 N ATOM 208 CA SER A 15 5.635 6.800 10.372 1.00 0.00 C ATOM 209 C SER A 15 4.263 7.301 10.846 1.00 0.00 C ATOM 210 O SER A 15 4.160 8.317 11.539 1.00 0.00 O ATOM 211 CB SER A 15 6.183 7.670 9.260 1.00 0.00 C ATOM 212 OG SER A 15 5.659 7.228 7.999 1.00 0.00 O ATOM 0 H SER A 15 5.299 5.404 8.883 1.00 0.00 H new ATOM 0 HA SER A 15 6.286 6.838 11.246 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.912 8.712 9.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.272 7.621 9.250 1.00 0.00 H new ATOM 0 HG SER A 15 6.013 7.793 7.281 1.00 0.00 H new ATOM 218 N LYS A 16 3.224 6.570 10.511 1.00 0.00 N ATOM 219 CA LYS A 16 1.874 6.988 10.808 1.00 0.00 C ATOM 220 C LYS A 16 1.332 6.236 11.995 1.00 0.00 C ATOM 221 O LYS A 16 1.464 5.019 12.084 1.00 0.00 O ATOM 222 CB LYS A 16 0.936 6.818 9.594 1.00 0.00 C ATOM 223 CG LYS A 16 1.098 7.849 8.463 1.00 0.00 C ATOM 224 CD LYS A 16 2.459 7.798 7.800 1.00 0.00 C ATOM 225 CE LYS A 16 2.552 8.718 6.599 1.00 0.00 C ATOM 226 NZ LYS A 16 1.656 8.305 5.502 1.00 0.00 N ATOM 0 H LYS A 16 3.291 5.674 10.028 1.00 0.00 H new ATOM 0 HA LYS A 16 1.913 8.050 11.049 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.092 5.823 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.094 6.857 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.328 7.678 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.934 8.849 8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.224 8.074 8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.670 6.775 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.304 9.735 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.580 8.736 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.864 8.868 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.804 7.297 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.667 8.458 5.785 1.00 0.00 H new ATOM 240 N LEU A 17 0.736 6.963 12.900 1.00 0.00 N ATOM 241 CA LEU A 17 0.174 6.398 14.101 1.00 0.00 C ATOM 242 C LEU A 17 -1.269 5.988 13.862 1.00 0.00 C ATOM 243 O LEU A 17 -1.811 5.148 14.579 1.00 0.00 O ATOM 244 CB LEU A 17 0.273 7.381 15.293 1.00 0.00 C ATOM 245 CG LEU A 17 1.686 7.728 15.838 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.455 6.478 16.219 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.493 8.590 14.869 1.00 0.00 C ATOM 0 H LEU A 17 0.625 7.974 12.826 1.00 0.00 H new ATOM 0 HA LEU A 17 0.754 5.512 14.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.209 8.313 14.998 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.310 6.967 16.116 1.00 0.00 H new ATOM 0 HG LEU A 17 1.531 8.322 16.739 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.439 6.757 16.596 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.910 5.937 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.570 5.840 15.343 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.471 8.803 15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.619 8.057 13.927 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.965 9.526 14.688 1.00 0.00 H new ATOM 259 N ASN A 18 -1.890 6.593 12.872 1.00 0.00 N ATOM 260 CA ASN A 18 -3.237 6.232 12.495 1.00 0.00 C ATOM 261 C ASN A 18 -3.264 5.939 11.004 1.00 0.00 C ATOM 262 O ASN A 18 -2.276 6.211 10.299 1.00 0.00 O ATOM 263 CB ASN A 18 -4.275 7.311 12.877 1.00 0.00 C ATOM 264 CG ASN A 18 -4.274 8.549 11.998 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.981 8.606 11.006 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.520 9.550 12.361 1.00 0.00 N ATOM 0 H ASN A 18 -1.480 7.341 12.312 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.524 5.341 13.053 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.269 6.864 12.846 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.095 7.617 13.908 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.512 10.408 11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.939 9.474 13.196 1.00 0.00 H new ATOM 273 N TYR A 19 -4.360 5.417 10.515 1.00 0.00 N ATOM 274 CA TYR A 19 -4.435 4.986 9.138 1.00 0.00 C ATOM 275 C TYR A 19 -4.724 6.103 8.154 1.00 0.00 C ATOM 276 O TYR A 19 -5.608 6.946 8.369 1.00 0.00 O ATOM 277 CB TYR A 19 -5.438 3.839 8.964 1.00 0.00 C ATOM 278 CG TYR A 19 -5.001 2.532 9.613 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.267 2.250 10.943 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.304 1.593 8.884 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.851 1.068 11.517 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.880 0.415 9.447 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.158 0.156 10.765 1.00 0.00 C ATOM 284 OH TYR A 19 -3.718 -1.010 11.337 1.00 0.00 O ATOM 0 H TYR A 19 -5.217 5.279 11.051 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.435 4.624 8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.396 4.140 9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.599 3.669 7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.809 2.968 11.540 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.086 1.789 7.844 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.070 0.862 12.554 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.331 -0.303 8.856 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.407 -1.701 11.243 1.00 0.00 H new ATOM 294 N ASP A 20 -3.958 6.112 7.084 1.00 0.00 N ATOM 295 CA ASP A 20 -4.208 6.981 5.957 1.00 0.00 C ATOM 296 C ASP A 20 -5.231 6.261 5.109 1.00 0.00 C ATOM 297 O ASP A 20 -5.570 5.099 5.392 1.00 0.00 O ATOM 298 CB ASP A 20 -2.949 7.237 5.073 1.00 0.00 C ATOM 299 CG ASP A 20 -1.831 8.057 5.696 1.00 0.00 C ATOM 300 OD1 ASP A 20 -1.951 9.306 5.757 1.00 0.00 O ATOM 301 OD2 ASP A 20 -0.783 7.487 6.050 1.00 0.00 O ATOM 0 H ASP A 20 -3.140 5.513 6.972 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.531 7.954 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.539 6.271 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.271 7.739 4.160 1.00 0.00 H new ATOM 306 N THR A 21 -5.686 6.878 4.069 1.00 0.00 N ATOM 307 CA THR A 21 -6.692 6.283 3.246 1.00 0.00 C ATOM 308 C THR A 21 -6.444 6.615 1.807 1.00 0.00 C ATOM 309 O THR A 21 -6.450 7.781 1.424 1.00 0.00 O ATOM 310 CB THR A 21 -8.106 6.735 3.676 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.046 8.065 4.217 1.00 0.00 O ATOM 312 CG2 THR A 21 -8.719 5.779 4.692 1.00 0.00 C ATOM 0 H THR A 21 -5.376 7.801 3.766 1.00 0.00 H new ATOM 0 HA THR A 21 -6.639 5.201 3.370 1.00 0.00 H new ATOM 0 HB THR A 21 -8.746 6.728 2.793 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.944 8.349 4.487 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.713 6.131 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.796 4.784 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.088 5.738 5.580 1.00 0.00 H new ATOM 320 N VAL A 22 -6.176 5.620 1.023 1.00 0.00 N ATOM 321 CA VAL A 22 -5.953 5.850 -0.365 1.00 0.00 C ATOM 322 C VAL A 22 -7.266 5.620 -1.098 1.00 0.00 C ATOM 323 O VAL A 22 -7.927 4.591 -0.897 1.00 0.00 O ATOM 324 CB VAL A 22 -4.790 4.968 -0.933 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.109 3.474 -0.980 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.319 5.495 -2.265 1.00 0.00 C ATOM 0 H VAL A 22 -6.107 4.646 1.319 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.627 6.879 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.967 5.052 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.254 2.932 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.322 3.116 0.027 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.979 3.307 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.511 4.867 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.147 5.483 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.958 6.517 -2.145 1.00 0.00 H new ATOM 336 N THR A 23 -7.684 6.595 -1.855 1.00 0.00 N ATOM 337 CA THR A 23 -8.927 6.515 -2.546 1.00 0.00 C ATOM 338 C THR A 23 -8.778 5.992 -3.971 1.00 0.00 C ATOM 339 O THR A 23 -7.997 6.510 -4.770 1.00 0.00 O ATOM 340 CB THR A 23 -9.712 7.843 -2.465 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.816 8.970 -2.607 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.448 7.942 -1.137 1.00 0.00 C ATOM 0 H THR A 23 -7.170 7.463 -2.006 1.00 0.00 H new ATOM 0 HA THR A 23 -9.529 5.768 -2.029 1.00 0.00 H new ATOM 0 HB THR A 23 -10.437 7.861 -3.279 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.328 9.804 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.997 8.883 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.146 7.110 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.729 7.904 -0.319 1.00 0.00 H new ATOM 350 N PHE A 24 -9.496 4.943 -4.243 1.00 0.00 N ATOM 351 CA PHE A 24 -9.487 4.260 -5.510 1.00 0.00 C ATOM 352 C PHE A 24 -10.930 3.949 -5.871 1.00 0.00 C ATOM 353 O PHE A 24 -11.823 4.227 -5.082 1.00 0.00 O ATOM 354 CB PHE A 24 -8.648 2.958 -5.409 1.00 0.00 C ATOM 355 CG PHE A 24 -9.177 1.940 -4.416 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.016 2.123 -3.052 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.840 0.806 -4.851 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.504 1.204 -2.159 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.322 -0.112 -3.954 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.157 0.087 -2.608 1.00 0.00 C ATOM 0 H PHE A 24 -10.130 4.520 -3.565 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.034 4.881 -6.283 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.601 2.494 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.627 3.220 -5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.500 2.999 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.979 0.642 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.373 1.361 -1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.833 -0.995 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.541 -0.635 -1.903 1.00 0.00 H new ATOM 370 N ASP A 25 -11.172 3.397 -7.020 1.00 0.00 N ATOM 371 CA ASP A 25 -12.521 3.062 -7.413 1.00 0.00 C ATOM 372 C ASP A 25 -12.764 1.579 -7.425 1.00 0.00 C ATOM 373 O ASP A 25 -11.839 0.775 -7.667 1.00 0.00 O ATOM 374 CB ASP A 25 -12.876 3.657 -8.767 1.00 0.00 C ATOM 375 CG ASP A 25 -13.294 5.102 -8.693 1.00 0.00 C ATOM 376 OD1 ASP A 25 -12.413 5.993 -8.682 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.521 5.380 -8.680 1.00 0.00 O ATOM 0 H ASP A 25 -10.456 3.165 -7.709 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.172 3.501 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.016 3.568 -9.431 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.683 3.075 -9.211 1.00 0.00 H new ATOM 382 N GLY A 26 -13.989 1.210 -7.135 1.00 0.00 N ATOM 383 CA GLY A 26 -14.379 -0.169 -7.189 1.00 0.00 C ATOM 384 C GLY A 26 -14.622 -0.758 -5.830 1.00 0.00 C ATOM 385 O GLY A 26 -15.561 -0.367 -5.128 1.00 0.00 O ATOM 0 H GLY A 26 -14.732 1.852 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.285 -0.263 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.602 -0.742 -7.695 1.00 0.00 H new ATOM 389 N LEU A 27 -13.775 -1.685 -5.457 1.00 0.00 N ATOM 390 CA LEU A 27 -13.882 -2.383 -4.184 1.00 0.00 C ATOM 391 C LEU A 27 -12.483 -2.737 -3.726 1.00 0.00 C ATOM 392 O LEU A 27 -12.142 -2.593 -2.550 1.00 0.00 O ATOM 393 CB LEU A 27 -14.768 -3.660 -4.352 1.00 0.00 C ATOM 394 CG LEU A 27 -15.236 -4.448 -3.079 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.106 -5.159 -2.353 1.00 0.00 C ATOM 396 CD2 LEU A 27 -16.001 -3.547 -2.126 1.00 0.00 C ATOM 0 H LEU A 27 -12.984 -1.984 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.358 -1.752 -3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.662 -3.367 -4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.219 -4.358 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.904 -5.228 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.504 -5.682 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.637 -5.877 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.365 -4.428 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.312 -4.121 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.360 -2.724 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.881 -3.148 -2.630 1.00 0.00 H new ATOM 408 N HIS A 28 -11.670 -3.173 -4.668 1.00 0.00 N ATOM 409 CA HIS A 28 -10.297 -3.556 -4.400 1.00 0.00 C ATOM 410 C HIS A 28 -9.337 -3.059 -5.441 1.00 0.00 C ATOM 411 O HIS A 28 -9.723 -2.780 -6.585 1.00 0.00 O ATOM 412 CB HIS A 28 -10.125 -5.066 -4.153 1.00 0.00 C ATOM 413 CG HIS A 28 -11.023 -5.975 -4.936 1.00 0.00 C ATOM 414 ND1 HIS A 28 -11.726 -6.997 -4.352 1.00 0.00 N ATOM 415 CD2 HIS A 28 -11.329 -6.008 -6.259 1.00 0.00 C ATOM 416 CE1 HIS A 28 -12.431 -7.611 -5.304 1.00 0.00 C ATOM 417 NE2 HIS A 28 -12.226 -7.046 -6.492 1.00 0.00 N ATOM 0 H HIS A 28 -11.944 -3.272 -5.645 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.043 -3.055 -3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.092 -5.333 -4.374 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.284 -5.259 -3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.939 -5.337 -7.009 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.082 -8.455 -5.133 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.639 -7.317 -7.384 1.00 0.00 H new ATOM 425 N ILE A 29 -8.110 -2.924 -5.025 1.00 0.00 N ATOM 426 CA ILE A 29 -7.041 -2.443 -5.839 1.00 0.00 C ATOM 427 C ILE A 29 -5.879 -3.426 -5.817 1.00 0.00 C ATOM 428 O ILE A 29 -5.505 -3.934 -4.761 1.00 0.00 O ATOM 429 CB ILE A 29 -6.578 -1.021 -5.367 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.320 -0.573 -6.104 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.360 -0.967 -3.852 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.983 0.879 -5.899 1.00 0.00 C ATOM 0 H ILE A 29 -7.821 -3.155 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.399 -2.355 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.383 -0.329 -5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.479 -1.182 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.448 -0.760 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.040 0.035 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.292 -1.210 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.593 -1.688 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.077 1.124 -6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.806 1.498 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.822 1.069 -4.838 1.00 0.00 H new ATOM 444 N SER A 30 -5.373 -3.748 -6.985 1.00 0.00 N ATOM 445 CA SER A 30 -4.212 -4.587 -7.112 1.00 0.00 C ATOM 446 C SER A 30 -3.007 -3.885 -6.473 1.00 0.00 C ATOM 447 O SER A 30 -2.837 -2.667 -6.618 1.00 0.00 O ATOM 448 CB SER A 30 -3.948 -4.838 -8.584 1.00 0.00 C ATOM 449 OG SER A 30 -5.145 -5.261 -9.241 1.00 0.00 O ATOM 0 H SER A 30 -5.759 -3.432 -7.875 1.00 0.00 H new ATOM 0 HA SER A 30 -4.377 -5.538 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.571 -3.929 -9.052 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.176 -5.599 -8.697 1.00 0.00 H new ATOM 0 HG SER A 30 -4.959 -5.417 -10.190 1.00 0.00 H new ATOM 455 N LEU A 31 -2.195 -4.649 -5.793 1.00 0.00 N ATOM 456 CA LEU A 31 -1.053 -4.174 -5.052 1.00 0.00 C ATOM 457 C LEU A 31 -0.097 -3.373 -5.913 1.00 0.00 C ATOM 458 O LEU A 31 0.494 -2.413 -5.441 1.00 0.00 O ATOM 459 CB LEU A 31 -0.327 -5.341 -4.413 1.00 0.00 C ATOM 460 CG LEU A 31 0.885 -4.996 -3.578 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.516 -4.167 -2.357 1.00 0.00 C ATOM 462 CD2 LEU A 31 1.592 -6.239 -3.178 1.00 0.00 C ATOM 0 H LEU A 31 -2.314 -5.660 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.426 -3.504 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.034 -5.881 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.016 -6.025 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 31 1.551 -4.386 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.416 -3.941 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.047 -3.237 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.179 -4.728 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.464 -5.984 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.920 -6.868 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.911 -6.779 -4.069 1.00 0.00 H new ATOM 474 N CYS A 32 0.067 -3.778 -7.165 1.00 0.00 N ATOM 475 CA CYS A 32 0.897 -3.037 -8.099 1.00 0.00 C ATOM 476 C CYS A 32 0.440 -1.583 -8.155 1.00 0.00 C ATOM 477 O CYS A 32 1.229 -0.675 -7.975 1.00 0.00 O ATOM 478 CB CYS A 32 0.766 -3.616 -9.515 1.00 0.00 C ATOM 479 SG CYS A 32 2.003 -2.997 -10.681 1.00 0.00 S ATOM 0 H CYS A 32 -0.365 -4.616 -7.555 1.00 0.00 H new ATOM 0 HA CYS A 32 1.930 -3.108 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.844 -4.702 -9.461 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.228 -3.387 -9.900 1.00 0.00 H new ATOM 0 HG CYS A 32 1.813 -3.543 -11.845 1.00 0.00 H new ATOM 485 N ASP A 33 -0.855 -1.387 -8.274 1.00 0.00 N ATOM 486 CA ASP A 33 -1.393 -0.054 -8.432 1.00 0.00 C ATOM 487 C ASP A 33 -1.334 0.671 -7.117 1.00 0.00 C ATOM 488 O ASP A 33 -0.949 1.838 -7.060 1.00 0.00 O ATOM 489 CB ASP A 33 -2.817 -0.096 -8.985 1.00 0.00 C ATOM 490 CG ASP A 33 -3.238 1.239 -9.559 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.678 1.643 -10.610 1.00 0.00 O ATOM 492 OD2 ASP A 33 -4.124 1.892 -9.018 1.00 0.00 O ATOM 0 H ASP A 33 -1.553 -2.131 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.787 0.490 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.884 -0.861 -9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.506 -0.384 -8.191 1.00 0.00 H new ATOM 497 N LEU A 34 -1.597 -0.085 -6.065 1.00 0.00 N ATOM 498 CA LEU A 34 -1.596 0.389 -4.682 1.00 0.00 C ATOM 499 C LEU A 34 -0.220 0.969 -4.336 1.00 0.00 C ATOM 500 O LEU A 34 -0.107 2.089 -3.827 1.00 0.00 O ATOM 501 CB LEU A 34 -1.959 -0.850 -3.786 1.00 0.00 C ATOM 502 CG LEU A 34 -1.984 -0.775 -2.224 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.614 -0.602 -1.602 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.942 0.268 -1.700 1.00 0.00 C ATOM 0 H LEU A 34 -1.825 -1.076 -6.147 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.320 1.187 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.949 -1.183 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.258 -1.642 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.353 -1.752 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.710 -0.558 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.019 -1.446 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.164 0.322 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.915 0.272 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.651 1.250 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.952 0.036 -2.037 1.00 0.00 H new ATOM 516 N LYS A 35 0.813 0.240 -4.684 1.00 0.00 N ATOM 517 CA LYS A 35 2.162 0.649 -4.373 1.00 0.00 C ATOM 518 C LYS A 35 2.589 1.842 -5.182 1.00 0.00 C ATOM 519 O LYS A 35 3.236 2.734 -4.661 1.00 0.00 O ATOM 520 CB LYS A 35 3.163 -0.491 -4.527 1.00 0.00 C ATOM 521 CG LYS A 35 2.895 -1.656 -3.599 1.00 0.00 C ATOM 522 CD LYS A 35 3.963 -2.732 -3.686 1.00 0.00 C ATOM 523 CE LYS A 35 4.043 -3.381 -5.046 1.00 0.00 C ATOM 524 NZ LYS A 35 5.066 -4.446 -5.068 1.00 0.00 N ATOM 0 H LYS A 35 0.744 -0.645 -5.186 1.00 0.00 H new ATOM 0 HA LYS A 35 2.155 0.941 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.143 -0.845 -5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.167 -0.111 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.835 -1.292 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.925 -2.092 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.931 -2.295 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.761 -3.497 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.072 -3.800 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.281 -2.629 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.688 -5.280 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.913 -4.104 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.319 -4.705 -4.093 1.00 0.00 H new ATOM 538 N LYS A 36 2.219 1.874 -6.442 1.00 0.00 N ATOM 539 CA LYS A 36 2.586 2.993 -7.294 1.00 0.00 C ATOM 540 C LYS A 36 1.929 4.288 -6.830 1.00 0.00 C ATOM 541 O LYS A 36 2.556 5.352 -6.859 1.00 0.00 O ATOM 542 CB LYS A 36 2.306 2.719 -8.778 1.00 0.00 C ATOM 543 CG LYS A 36 3.396 1.925 -9.534 1.00 0.00 C ATOM 544 CD LYS A 36 3.661 0.546 -8.940 1.00 0.00 C ATOM 545 CE LYS A 36 4.587 -0.278 -9.805 1.00 0.00 C ATOM 546 NZ LYS A 36 4.677 -1.687 -9.340 1.00 0.00 N ATOM 0 H LYS A 36 1.669 1.148 -6.901 1.00 0.00 H new ATOM 0 HA LYS A 36 3.665 3.116 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.366 2.173 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.163 3.674 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.096 1.812 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.323 2.499 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.097 0.657 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.716 0.018 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.233 -0.258 -10.836 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.581 0.169 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.559 -2.113 -9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.670 -1.711 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.865 -2.225 -9.704 1.00 0.00 H new ATOM 560 N GLN A 37 0.689 4.198 -6.357 1.00 0.00 N ATOM 561 CA GLN A 37 -0.005 5.377 -5.854 1.00 0.00 C ATOM 562 C GLN A 37 0.690 5.879 -4.594 1.00 0.00 C ATOM 563 O GLN A 37 0.978 7.064 -4.461 1.00 0.00 O ATOM 564 CB GLN A 37 -1.471 5.071 -5.543 1.00 0.00 C ATOM 565 CG GLN A 37 -2.266 4.547 -6.723 1.00 0.00 C ATOM 566 CD GLN A 37 -3.717 4.297 -6.383 1.00 0.00 C ATOM 567 OE1 GLN A 37 -4.065 4.031 -5.239 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.570 4.352 -7.365 1.00 0.00 N ATOM 0 H GLN A 37 0.151 3.333 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 37 0.025 6.144 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.513 4.338 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.948 5.978 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.207 5.263 -7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.815 3.620 -7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.249 4.576 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.559 4.171 -7.192 1.00 0.00 H new ATOM 577 N ILE A 38 1.013 4.956 -3.704 1.00 0.00 N ATOM 578 CA ILE A 38 1.649 5.298 -2.438 1.00 0.00 C ATOM 579 C ILE A 38 3.089 5.797 -2.636 1.00 0.00 C ATOM 580 O ILE A 38 3.495 6.771 -2.010 1.00 0.00 O ATOM 581 CB ILE A 38 1.604 4.123 -1.417 1.00 0.00 C ATOM 582 CG1 ILE A 38 0.143 3.758 -1.105 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.349 4.484 -0.124 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.011 2.588 -0.159 1.00 0.00 C ATOM 0 H ILE A 38 0.845 3.958 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 38 1.067 6.118 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 38 2.103 3.262 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.354 4.628 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.370 3.527 -2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.301 3.645 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.391 4.705 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.885 5.359 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.070 2.394 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.455 1.704 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.471 2.822 0.790 1.00 0.00 H new ATOM 596 N MET A 39 3.841 5.161 -3.528 1.00 0.00 N ATOM 597 CA MET A 39 5.224 5.580 -3.779 1.00 0.00 C ATOM 598 C MET A 39 5.282 6.977 -4.356 1.00 0.00 C ATOM 599 O MET A 39 6.154 7.763 -3.996 1.00 0.00 O ATOM 600 CB MET A 39 6.035 4.579 -4.631 1.00 0.00 C ATOM 601 CG MET A 39 6.291 3.248 -3.926 1.00 0.00 C ATOM 602 SD MET A 39 7.489 2.178 -4.766 1.00 0.00 S ATOM 603 CE MET A 39 6.693 1.902 -6.340 1.00 0.00 C ATOM 0 H MET A 39 3.527 4.365 -4.084 1.00 0.00 H new ATOM 0 HA MET A 39 5.710 5.593 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.502 4.391 -5.563 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.991 5.031 -4.896 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.646 3.448 -2.915 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.346 2.712 -3.832 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.267 1.176 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.685 1.520 -6.176 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.640 2.841 -6.891 1.00 0.00 H new ATOM 613 N GLY A 40 4.331 7.298 -5.206 1.00 0.00 N ATOM 614 CA GLY A 40 4.268 8.624 -5.756 1.00 0.00 C ATOM 615 C GLY A 40 3.805 9.636 -4.729 1.00 0.00 C ATOM 616 O GLY A 40 4.403 10.705 -4.581 1.00 0.00 O ATOM 0 H GLY A 40 3.600 6.663 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.251 8.910 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.588 8.633 -6.608 1.00 0.00 H new ATOM 620 N ARG A 41 2.781 9.268 -3.985 1.00 0.00 N ATOM 621 CA ARG A 41 2.190 10.136 -2.975 1.00 0.00 C ATOM 622 C ARG A 41 3.160 10.443 -1.827 1.00 0.00 C ATOM 623 O ARG A 41 3.375 11.598 -1.477 1.00 0.00 O ATOM 624 CB ARG A 41 0.904 9.505 -2.417 1.00 0.00 C ATOM 625 CG ARG A 41 0.394 10.201 -1.170 1.00 0.00 C ATOM 626 CD ARG A 41 -0.785 9.500 -0.537 1.00 0.00 C ATOM 627 NE ARG A 41 -0.881 9.878 0.872 1.00 0.00 N ATOM 628 CZ ARG A 41 -1.990 9.920 1.617 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.175 9.654 1.084 1.00 0.00 N ATOM 630 NH2 ARG A 41 -1.903 10.232 2.905 1.00 0.00 N ATOM 0 H ARG A 41 2.331 8.356 -4.061 1.00 0.00 H new ATOM 0 HA ARG A 41 1.954 11.081 -3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.130 9.533 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.090 8.455 -2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.203 10.267 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.108 11.222 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.704 9.768 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.670 8.420 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.010 10.137 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.247 9.414 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.014 9.689 1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.994 10.438 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.745 10.266 3.480 1.00 0.00 H new ATOM 644 N GLU A 42 3.772 9.416 -1.280 1.00 0.00 N ATOM 645 CA GLU A 42 4.608 9.574 -0.090 1.00 0.00 C ATOM 646 C GLU A 42 6.069 9.804 -0.454 1.00 0.00 C ATOM 647 O GLU A 42 6.946 9.758 0.409 1.00 0.00 O ATOM 648 CB GLU A 42 4.474 8.367 0.827 1.00 0.00 C ATOM 649 CG GLU A 42 3.047 8.086 1.311 1.00 0.00 C ATOM 650 CD GLU A 42 2.471 9.214 2.151 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.790 9.306 3.343 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.692 10.019 1.637 1.00 0.00 O ATOM 0 H GLU A 42 3.713 8.461 -1.632 1.00 0.00 H new ATOM 0 HA GLU A 42 4.255 10.458 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.845 7.486 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.115 8.515 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.403 7.918 0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.042 7.166 1.896 1.00 0.00 H new ATOM 659 N LYS A 43 6.304 10.091 -1.730 1.00 0.00 N ATOM 660 CA LYS A 43 7.630 10.410 -2.276 1.00 0.00 C ATOM 661 C LYS A 43 8.646 9.289 -2.021 1.00 0.00 C ATOM 662 O LYS A 43 9.773 9.546 -1.581 1.00 0.00 O ATOM 663 CB LYS A 43 8.209 11.742 -1.722 1.00 0.00 C ATOM 664 CG LYS A 43 7.330 12.980 -1.878 1.00 0.00 C ATOM 665 CD LYS A 43 6.279 13.107 -0.781 1.00 0.00 C ATOM 666 CE LYS A 43 6.922 13.295 0.599 1.00 0.00 C ATOM 667 NZ LYS A 43 5.934 13.483 1.681 1.00 0.00 N ATOM 0 H LYS A 43 5.566 10.110 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 43 7.472 10.519 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.424 11.607 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.160 11.934 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.960 13.869 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.833 12.946 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.627 13.953 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.652 12.215 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.539 12.426 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.586 14.159 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.430 13.604 2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.360 14.328 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.315 12.649 1.734 1.00 0.00 H new ATOM 681 N LEU A 44 8.278 8.064 -2.293 1.00 0.00 N ATOM 682 CA LEU A 44 9.199 6.965 -2.080 1.00 0.00 C ATOM 683 C LEU A 44 10.165 6.811 -3.222 1.00 0.00 C ATOM 684 O LEU A 44 9.928 7.316 -4.332 1.00 0.00 O ATOM 685 CB LEU A 44 8.520 5.618 -1.845 1.00 0.00 C ATOM 686 CG LEU A 44 8.079 5.300 -0.426 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.902 6.133 0.002 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.783 3.831 -0.296 1.00 0.00 C ATOM 0 H LEU A 44 7.363 7.799 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 44 9.729 7.240 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.644 5.564 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.204 4.834 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 44 8.900 5.554 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.623 5.871 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.169 7.189 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.061 5.944 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.468 3.612 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.987 3.558 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.680 3.257 -0.530 1.00 0.00 H new ATOM 700 N LYS A 45 11.243 6.131 -2.956 1.00 0.00 N ATOM 701 CA LYS A 45 12.197 5.800 -3.967 1.00 0.00 C ATOM 702 C LYS A 45 11.920 4.417 -4.444 1.00 0.00 C ATOM 703 O LYS A 45 12.119 3.464 -3.704 1.00 0.00 O ATOM 704 CB LYS A 45 13.643 5.810 -3.464 1.00 0.00 C ATOM 705 CG LYS A 45 14.260 7.134 -3.131 1.00 0.00 C ATOM 706 CD LYS A 45 13.676 7.741 -1.881 1.00 0.00 C ATOM 707 CE LYS A 45 14.286 9.085 -1.572 1.00 0.00 C ATOM 708 NZ LYS A 45 13.780 9.643 -0.301 1.00 0.00 N ATOM 0 H LYS A 45 11.483 5.790 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 45 12.098 6.554 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.691 5.185 -2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.264 5.333 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.335 7.009 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.116 7.819 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.598 7.850 -2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.838 7.067 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.370 8.987 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.068 9.778 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.224 10.567 -0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.748 9.761 -0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.011 8.995 0.479 1.00 0.00 H new ATOM 722 N ALA A 46 11.493 4.296 -5.659 1.00 0.00 N ATOM 723 CA ALA A 46 11.248 3.003 -6.239 1.00 0.00 C ATOM 724 C ALA A 46 12.576 2.415 -6.732 1.00 0.00 C ATOM 725 O ALA A 46 12.678 1.221 -7.047 1.00 0.00 O ATOM 726 CB ALA A 46 10.243 3.128 -7.371 1.00 0.00 C ATOM 0 H ALA A 46 11.303 5.083 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 46 10.826 2.330 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.061 2.145 -7.806 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.307 3.532 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.638 3.797 -8.136 1.00 0.00 H new ATOM 732 N ALA A 47 13.590 3.274 -6.794 1.00 0.00 N ATOM 733 CA ALA A 47 14.924 2.890 -7.225 1.00 0.00 C ATOM 734 C ALA A 47 15.840 2.597 -6.037 1.00 0.00 C ATOM 735 O ALA A 47 16.922 2.048 -6.208 1.00 0.00 O ATOM 736 CB ALA A 47 15.534 3.977 -8.099 1.00 0.00 C ATOM 0 H ALA A 47 13.505 4.259 -6.545 1.00 0.00 H new ATOM 0 HA ALA A 47 14.828 1.974 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.533 3.674 -8.413 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.908 4.131 -8.978 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.598 4.906 -7.532 1.00 0.00 H new ATOM 742 N ASP A 48 15.429 2.984 -4.844 1.00 0.00 N ATOM 743 CA ASP A 48 16.244 2.715 -3.644 1.00 0.00 C ATOM 744 C ASP A 48 15.539 1.742 -2.725 1.00 0.00 C ATOM 745 O ASP A 48 16.159 0.844 -2.118 1.00 0.00 O ATOM 746 CB ASP A 48 16.519 4.005 -2.878 1.00 0.00 C ATOM 747 CG ASP A 48 17.400 3.804 -1.655 1.00 0.00 C ATOM 748 OD1 ASP A 48 16.876 3.467 -0.580 1.00 0.00 O ATOM 749 OD2 ASP A 48 18.628 4.026 -1.745 1.00 0.00 O ATOM 0 H ASP A 48 14.554 3.478 -4.667 1.00 0.00 H new ATOM 0 HA ASP A 48 17.187 2.282 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.996 4.721 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.571 4.443 -2.566 1.00 0.00 H new ATOM 754 N CYS A 49 14.253 1.894 -2.627 1.00 0.00 N ATOM 755 CA CYS A 49 13.482 1.092 -1.741 1.00 0.00 C ATOM 756 C CYS A 49 12.363 0.364 -2.472 1.00 0.00 C ATOM 757 O CYS A 49 12.144 0.554 -3.670 1.00 0.00 O ATOM 758 CB CYS A 49 12.906 1.963 -0.628 1.00 0.00 C ATOM 759 SG CYS A 49 14.134 2.764 0.431 1.00 0.00 S ATOM 0 H CYS A 49 13.714 2.577 -3.160 1.00 0.00 H new ATOM 0 HA CYS A 49 14.139 0.336 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.279 2.733 -1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.257 1.347 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 49 15.236 2.936 -0.236 1.00 0.00 H new ATOM 765 N ASP A 50 11.694 -0.466 -1.741 1.00 0.00 N ATOM 766 CA ASP A 50 10.580 -1.245 -2.192 1.00 0.00 C ATOM 767 C ASP A 50 9.451 -0.971 -1.241 1.00 0.00 C ATOM 768 O ASP A 50 9.670 -0.413 -0.149 1.00 0.00 O ATOM 769 CB ASP A 50 10.935 -2.735 -2.159 1.00 0.00 C ATOM 770 CG ASP A 50 9.838 -3.643 -2.658 1.00 0.00 C ATOM 771 OD1 ASP A 50 9.223 -3.326 -3.699 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.551 -4.653 -2.007 1.00 0.00 O ATOM 0 H ASP A 50 11.919 -0.630 -0.760 1.00 0.00 H new ATOM 0 HA ASP A 50 10.308 -0.985 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.828 -2.898 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.186 -3.015 -1.136 1.00 0.00 H new ATOM 777 N LEU A 51 8.287 -1.349 -1.599 1.00 0.00 N ATOM 778 CA LEU A 51 7.172 -1.093 -0.791 1.00 0.00 C ATOM 779 C LEU A 51 6.517 -2.411 -0.452 1.00 0.00 C ATOM 780 O LEU A 51 6.029 -3.116 -1.327 1.00 0.00 O ATOM 781 CB LEU A 51 6.227 -0.129 -1.504 1.00 0.00 C ATOM 782 CG LEU A 51 5.096 0.411 -0.667 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.654 1.122 0.534 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.234 1.351 -1.470 1.00 0.00 C ATOM 0 H LEU A 51 8.083 -1.847 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 51 7.464 -0.610 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.810 0.711 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.804 -0.637 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 51 4.475 -0.423 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.835 1.512 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.244 0.424 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.288 1.946 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.425 1.727 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.838 2.187 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.815 0.820 -2.324 1.00 0.00 H new ATOM 796 N GLN A 52 6.559 -2.757 0.795 1.00 0.00 N ATOM 797 CA GLN A 52 6.063 -4.015 1.257 1.00 0.00 C ATOM 798 C GLN A 52 4.810 -3.801 2.115 1.00 0.00 C ATOM 799 O GLN A 52 4.833 -3.063 3.091 1.00 0.00 O ATOM 800 CB GLN A 52 7.186 -4.726 2.011 1.00 0.00 C ATOM 801 CG GLN A 52 6.856 -6.108 2.496 1.00 0.00 C ATOM 802 CD GLN A 52 6.323 -7.012 1.406 1.00 0.00 C ATOM 803 OE1 GLN A 52 5.123 -7.081 1.179 1.00 0.00 O ATOM 804 NE2 GLN A 52 7.201 -7.689 0.722 1.00 0.00 N ATOM 0 H GLN A 52 6.944 -2.166 1.532 1.00 0.00 H new ATOM 0 HA GLN A 52 5.760 -4.649 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.058 -4.786 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.469 -4.116 2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.750 -6.558 2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.118 -6.039 3.295 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.194 -7.605 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.896 -8.303 -0.033 1.00 0.00 H new ATOM 813 N ILE A 53 3.728 -4.431 1.738 1.00 0.00 N ATOM 814 CA ILE A 53 2.444 -4.203 2.389 1.00 0.00 C ATOM 815 C ILE A 53 2.002 -5.460 3.128 1.00 0.00 C ATOM 816 O ILE A 53 1.990 -6.551 2.572 1.00 0.00 O ATOM 817 CB ILE A 53 1.311 -3.695 1.375 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.566 -2.262 0.873 1.00 0.00 C ATOM 819 CG2 ILE A 53 -0.075 -3.717 2.001 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.761 -2.050 -0.004 1.00 0.00 C ATOM 0 H ILE A 53 3.701 -5.112 0.979 1.00 0.00 H new ATOM 0 HA ILE A 53 2.585 -3.397 3.109 1.00 0.00 H new ATOM 0 HB ILE A 53 1.356 -4.393 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.682 -1.933 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.664 -1.611 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.808 -3.364 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.323 -4.735 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.089 -3.067 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.824 -0.999 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.664 -2.335 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.667 -2.661 -0.901 1.00 0.00 H new ATOM 832 N THR A 54 1.686 -5.309 4.377 1.00 0.00 N ATOM 833 CA THR A 54 1.261 -6.408 5.203 1.00 0.00 C ATOM 834 C THR A 54 -0.120 -6.109 5.770 1.00 0.00 C ATOM 835 O THR A 54 -0.356 -5.021 6.214 1.00 0.00 O ATOM 836 CB THR A 54 2.254 -6.580 6.364 1.00 0.00 C ATOM 837 OG1 THR A 54 3.589 -6.679 5.841 1.00 0.00 O ATOM 838 CG2 THR A 54 1.926 -7.816 7.190 1.00 0.00 C ATOM 0 H THR A 54 1.715 -4.412 4.861 1.00 0.00 H new ATOM 0 HA THR A 54 1.224 -7.320 4.608 1.00 0.00 H new ATOM 0 HB THR A 54 2.178 -5.710 7.016 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.859 -5.814 5.467 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.645 -7.911 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.922 -7.722 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.976 -8.701 6.556 1.00 0.00 H new ATOM 846 N ASN A 55 -1.022 -7.059 5.732 1.00 0.00 N ATOM 847 CA ASN A 55 -2.359 -6.870 6.301 1.00 0.00 C ATOM 848 C ASN A 55 -2.246 -6.632 7.801 1.00 0.00 C ATOM 849 O ASN A 55 -1.437 -7.269 8.469 1.00 0.00 O ATOM 850 CB ASN A 55 -3.210 -8.094 6.059 1.00 0.00 C ATOM 851 CG ASN A 55 -4.666 -7.853 6.305 1.00 0.00 C ATOM 852 OD1 ASN A 55 -5.128 -7.903 7.423 1.00 0.00 O ATOM 853 ND2 ASN A 55 -5.401 -7.685 5.286 1.00 0.00 N ATOM 0 H ASN A 55 -0.866 -7.977 5.315 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.824 -6.009 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.072 -8.428 5.031 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.867 -8.902 6.706 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.410 -7.588 5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.983 -7.647 4.356 1.00 0.00 H new ATOM 860 N ALA A 56 -3.040 -5.729 8.329 1.00 0.00 N ATOM 861 CA ALA A 56 -2.969 -5.402 9.748 1.00 0.00 C ATOM 862 C ALA A 56 -3.716 -6.419 10.597 1.00 0.00 C ATOM 863 O ALA A 56 -3.456 -6.568 11.788 1.00 0.00 O ATOM 864 CB ALA A 56 -3.525 -4.016 9.992 1.00 0.00 C ATOM 0 H ALA A 56 -3.742 -5.206 7.806 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.920 -5.429 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.467 -3.783 11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.944 -3.286 9.428 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.565 -3.979 9.669 1.00 0.00 H new ATOM 870 N GLN A 57 -4.624 -7.123 9.980 1.00 0.00 N ATOM 871 CA GLN A 57 -5.460 -8.067 10.679 1.00 0.00 C ATOM 872 C GLN A 57 -4.978 -9.499 10.484 1.00 0.00 C ATOM 873 O GLN A 57 -4.832 -10.253 11.451 1.00 0.00 O ATOM 874 CB GLN A 57 -6.912 -7.920 10.207 1.00 0.00 C ATOM 875 CG GLN A 57 -7.502 -6.536 10.468 1.00 0.00 C ATOM 876 CD GLN A 57 -7.500 -6.167 11.940 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.601 -7.029 12.811 1.00 0.00 O ATOM 878 NE2 GLN A 57 -7.375 -4.903 12.236 1.00 0.00 N ATOM 0 H GLN A 57 -4.808 -7.061 8.979 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.402 -7.848 11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.961 -8.131 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.526 -8.668 10.709 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.933 -5.792 9.910 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.524 -6.504 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.293 -4.211 11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.359 -4.607 13.212 1.00 0.00 H new ATOM 887 N THR A 58 -4.712 -9.876 9.252 1.00 0.00 N ATOM 888 CA THR A 58 -4.330 -11.240 8.952 1.00 0.00 C ATOM 889 C THR A 58 -2.821 -11.379 9.019 1.00 0.00 C ATOM 890 O THR A 58 -2.284 -12.479 9.166 1.00 0.00 O ATOM 891 CB THR A 58 -4.821 -11.646 7.536 1.00 0.00 C ATOM 892 OG1 THR A 58 -4.107 -10.900 6.543 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.299 -11.335 7.381 1.00 0.00 C ATOM 0 H THR A 58 -4.753 -9.258 8.442 1.00 0.00 H new ATOM 0 HA THR A 58 -4.793 -11.897 9.689 1.00 0.00 H new ATOM 0 HB THR A 58 -4.649 -12.715 7.410 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.419 -11.160 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.629 -11.625 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.868 -11.890 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.463 -10.266 7.521 1.00 0.00 H new ATOM 901 N LYS A 59 -2.147 -10.227 8.909 1.00 0.00 N ATOM 902 CA LYS A 59 -0.696 -10.117 8.895 1.00 0.00 C ATOM 903 C LYS A 59 -0.110 -10.811 7.674 1.00 0.00 C ATOM 904 O LYS A 59 1.061 -11.198 7.653 1.00 0.00 O ATOM 905 CB LYS A 59 -0.063 -10.619 10.200 1.00 0.00 C ATOM 906 CG LYS A 59 -0.534 -9.888 11.468 1.00 0.00 C ATOM 907 CD LYS A 59 -0.342 -8.359 11.411 1.00 0.00 C ATOM 908 CE LYS A 59 1.099 -7.954 11.132 1.00 0.00 C ATOM 909 NZ LYS A 59 1.291 -6.494 11.214 1.00 0.00 N ATOM 0 H LYS A 59 -2.616 -9.325 8.825 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.450 -9.058 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.281 -11.681 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.020 -10.522 10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.589 -10.107 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.010 -10.282 12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.987 -7.945 10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.660 -7.922 12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.758 -8.447 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.387 -8.302 10.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.286 -6.263 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.682 -6.024 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.041 -6.164 12.168 1.00 0.00 H new ATOM 923 N GLU A 60 -0.925 -10.934 6.642 1.00 0.00 N ATOM 924 CA GLU A 60 -0.480 -11.514 5.415 1.00 0.00 C ATOM 925 C GLU A 60 0.276 -10.470 4.630 1.00 0.00 C ATOM 926 O GLU A 60 -0.226 -9.357 4.413 1.00 0.00 O ATOM 927 CB GLU A 60 -1.653 -12.038 4.606 1.00 0.00 C ATOM 928 CG GLU A 60 -1.257 -12.701 3.299 1.00 0.00 C ATOM 929 CD GLU A 60 -2.440 -13.223 2.549 1.00 0.00 C ATOM 930 OE1 GLU A 60 -3.095 -12.445 1.825 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.751 -14.421 2.671 1.00 0.00 O ATOM 0 H GLU A 60 -1.900 -10.635 6.642 1.00 0.00 H new ATOM 0 HA GLU A 60 0.174 -12.358 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.207 -12.755 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.331 -11.212 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.723 -11.983 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.568 -13.521 3.504 1.00 0.00 H new ATOM 938 N GLU A 61 1.473 -10.794 4.272 1.00 0.00 N ATOM 939 CA GLU A 61 2.288 -9.942 3.513 1.00 0.00 C ATOM 940 C GLU A 61 2.008 -10.135 2.067 1.00 0.00 C ATOM 941 O GLU A 61 2.032 -11.259 1.554 1.00 0.00 O ATOM 942 CB GLU A 61 3.726 -10.208 3.840 1.00 0.00 C ATOM 943 CG GLU A 61 4.048 -9.779 5.233 1.00 0.00 C ATOM 944 CD GLU A 61 5.419 -10.141 5.681 1.00 0.00 C ATOM 945 OE1 GLU A 61 5.607 -11.270 6.209 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.342 -9.328 5.509 1.00 0.00 O ATOM 0 H GLU A 61 1.911 -11.683 4.511 1.00 0.00 H new ATOM 0 HA GLU A 61 2.072 -8.902 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.938 -11.271 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.367 -9.678 3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.928 -8.698 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.325 -10.226 5.915 1.00 0.00 H new ATOM 953 N TYR A 62 1.710 -9.068 1.437 1.00 0.00 N ATOM 954 CA TYR A 62 1.394 -9.077 0.047 1.00 0.00 C ATOM 955 C TYR A 62 2.675 -8.893 -0.723 1.00 0.00 C ATOM 956 O TYR A 62 3.166 -7.773 -0.907 1.00 0.00 O ATOM 957 CB TYR A 62 0.370 -7.993 -0.285 1.00 0.00 C ATOM 958 CG TYR A 62 -0.892 -8.109 0.536 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.893 -8.998 0.188 1.00 0.00 C ATOM 960 CD2 TYR A 62 -1.073 -7.336 1.665 1.00 0.00 C ATOM 961 CE1 TYR A 62 -3.037 -9.110 0.942 1.00 0.00 C ATOM 962 CE2 TYR A 62 -2.210 -7.438 2.425 1.00 0.00 C ATOM 963 CZ TYR A 62 -3.192 -8.325 2.062 1.00 0.00 C ATOM 964 OH TYR A 62 -4.329 -8.434 2.826 1.00 0.00 O ATOM 0 H TYR A 62 1.675 -8.145 1.869 1.00 0.00 H new ATOM 0 HA TYR A 62 0.938 -10.027 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.818 -7.013 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.116 -8.051 -1.343 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.774 -9.614 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.303 -6.636 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.809 -9.809 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.332 -6.823 3.305 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.675 -9.349 2.769 1.00 0.00 H new ATOM 974 N THR A 63 3.242 -9.986 -1.113 1.00 0.00 N ATOM 975 CA THR A 63 4.524 -10.002 -1.715 1.00 0.00 C ATOM 976 C THR A 63 4.472 -9.833 -3.228 1.00 0.00 C ATOM 977 O THR A 63 5.424 -9.311 -3.828 1.00 0.00 O ATOM 978 CB THR A 63 5.247 -11.298 -1.324 1.00 0.00 C ATOM 979 OG1 THR A 63 4.351 -12.401 -1.523 1.00 0.00 O ATOM 980 CG2 THR A 63 5.672 -11.253 0.141 1.00 0.00 C ATOM 0 H THR A 63 2.815 -10.908 -1.018 1.00 0.00 H new ATOM 0 HA THR A 63 5.081 -9.143 -1.342 1.00 0.00 H new ATOM 0 HB THR A 63 6.138 -11.413 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.801 -13.236 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.183 -12.180 0.400 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.346 -10.411 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.791 -11.136 0.772 1.00 0.00 H new ATOM 988 N ASP A 64 3.382 -10.236 -3.853 1.00 0.00 N ATOM 989 CA ASP A 64 3.298 -10.119 -5.307 1.00 0.00 C ATOM 990 C ASP A 64 2.443 -8.955 -5.668 1.00 0.00 C ATOM 991 O ASP A 64 1.457 -8.691 -5.004 1.00 0.00 O ATOM 992 CB ASP A 64 2.688 -11.338 -5.954 1.00 0.00 C ATOM 993 CG ASP A 64 3.082 -11.434 -7.413 1.00 0.00 C ATOM 994 OD1 ASP A 64 2.368 -10.856 -8.253 1.00 0.00 O ATOM 995 OD2 ASP A 64 4.104 -12.079 -7.737 1.00 0.00 O ATOM 0 H ASP A 64 2.561 -10.637 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 64 4.320 -10.001 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.013 -12.235 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.602 -11.294 -5.869 1.00 0.00 H new ATOM 1000 N ASP A 65 2.756 -8.307 -6.755 1.00 0.00 N ATOM 1001 CA ASP A 65 2.008 -7.128 -7.195 1.00 0.00 C ATOM 1002 C ASP A 65 0.603 -7.466 -7.665 1.00 0.00 C ATOM 1003 O ASP A 65 -0.253 -6.573 -7.805 1.00 0.00 O ATOM 1004 CB ASP A 65 2.742 -6.326 -8.275 1.00 0.00 C ATOM 1005 CG ASP A 65 3.927 -5.514 -7.803 1.00 0.00 C ATOM 1006 OD1 ASP A 65 4.854 -6.063 -7.174 1.00 0.00 O ATOM 1007 OD2 ASP A 65 3.971 -4.296 -8.085 1.00 0.00 O ATOM 0 H ASP A 65 3.529 -8.566 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 65 1.927 -6.501 -6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.084 -7.018 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.028 -5.651 -8.747 1.00 0.00 H new ATOM 1012 N ASN A 66 0.358 -8.733 -7.891 1.00 0.00 N ATOM 1013 CA ASN A 66 -0.940 -9.199 -8.356 1.00 0.00 C ATOM 1014 C ASN A 66 -1.908 -9.328 -7.174 1.00 0.00 C ATOM 1015 O ASN A 66 -3.115 -9.498 -7.367 1.00 0.00 O ATOM 1016 CB ASN A 66 -0.768 -10.561 -9.041 1.00 0.00 C ATOM 1017 CG ASN A 66 -1.016 -11.741 -8.128 1.00 0.00 C ATOM 1018 OD1 ASN A 66 -0.025 -12.080 -7.389 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 -2.119 -12.298 -8.072 1.00 0.00 N flip ATOM 0 H ASN A 66 1.046 -9.475 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.351 -8.481 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.451 -10.620 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.243 -10.630 -9.442 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.877 -11.991 -8.682 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.271 -13.064 -7.416 1.00 0.00 H new ATOM 1026 N ALA A 67 -1.370 -9.227 -5.958 1.00 0.00 N ATOM 1027 CA ALA A 67 -2.164 -9.311 -4.748 1.00 0.00 C ATOM 1028 C ALA A 67 -3.135 -8.139 -4.717 1.00 0.00 C ATOM 1029 O ALA A 67 -2.805 -7.085 -5.181 1.00 0.00 O ATOM 1030 CB ALA A 67 -1.249 -9.313 -3.532 1.00 0.00 C ATOM 0 H ALA A 67 -0.374 -9.085 -5.792 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.737 -10.238 -4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.850 -9.376 -2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.578 -10.170 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.663 -8.394 -3.516 1.00 0.00 H new ATOM 1036 N LEU A 68 -4.324 -8.328 -4.236 1.00 0.00 N ATOM 1037 CA LEU A 68 -5.309 -7.261 -4.280 1.00 0.00 C ATOM 1038 C LEU A 68 -5.722 -6.853 -2.880 1.00 0.00 C ATOM 1039 O LEU A 68 -5.876 -7.713 -2.002 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.516 -7.688 -5.138 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.421 -8.772 -4.556 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.568 -8.146 -3.806 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.912 -9.726 -5.624 1.00 0.00 C ATOM 0 H LEU A 68 -4.646 -9.197 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.863 -6.384 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.125 -6.805 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.143 -8.037 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.833 -9.363 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.206 -8.929 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.180 -7.532 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.150 -7.523 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.553 -10.482 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.478 -9.173 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.059 -10.211 -6.099 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.843 -5.567 -2.639 1.00 0.00 N ATOM 1056 CA ILE A 69 -6.297 -5.115 -1.347 1.00 0.00 C ATOM 1057 C ILE A 69 -7.626 -4.359 -1.492 1.00 0.00 C ATOM 1058 O ILE A 69 -7.723 -3.385 -2.238 1.00 0.00 O ATOM 1059 CB ILE A 69 -5.259 -4.235 -0.547 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.926 -4.968 -0.305 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.841 -3.791 0.791 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.980 -4.984 -1.482 1.00 0.00 C ATOM 0 H ILE A 69 -5.637 -4.827 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.429 -6.019 -0.753 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.055 -3.362 -1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.421 -4.501 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.142 -5.997 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.107 -3.186 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.741 -3.201 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.091 -4.668 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.072 -5.523 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.458 -5.480 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.726 -3.961 -1.759 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.674 -4.866 -0.858 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.985 -4.228 -0.833 1.00 0.00 C ATOM 1076 C PRO A 70 -10.114 -3.131 0.226 1.00 0.00 C ATOM 1077 O PRO A 70 -9.369 -3.096 1.208 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.913 -5.386 -0.480 1.00 0.00 C ATOM 1079 CG PRO A 70 -10.075 -6.296 0.345 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.675 -6.152 -0.148 1.00 0.00 C ATOM 0 HA PRO A 70 -10.200 -3.728 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.786 -5.040 0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.280 -5.887 -1.375 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.143 -6.034 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.415 -7.327 0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.961 -6.153 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.399 -6.973 -0.810 1.00 0.00 H new ATOM 1088 N LYS A 71 -11.113 -2.264 0.045 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.433 -1.204 1.021 1.00 0.00 C ATOM 1090 C LYS A 71 -12.025 -1.791 2.299 1.00 0.00 C ATOM 1091 O LYS A 71 -12.286 -1.088 3.273 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.396 -0.155 0.433 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.641 -0.709 -0.243 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.635 0.406 -0.522 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.811 -0.044 -1.379 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.644 1.100 -1.817 1.00 0.00 N ATOM 0 H LYS A 71 -11.722 -2.271 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.494 -0.706 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.708 0.515 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.849 0.448 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.367 -1.202 -1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.102 -1.465 0.393 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.010 0.795 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.121 1.226 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.440 -0.579 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.425 -0.745 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.513 0.745 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.893 1.683 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.112 1.676 -2.500 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.253 -3.072 2.264 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.761 -3.816 3.400 1.00 0.00 C ATOM 1112 C ASN A 72 -11.629 -4.294 4.288 1.00 0.00 C ATOM 1113 O ASN A 72 -11.855 -4.933 5.305 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.630 -5.002 2.957 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.951 -4.571 2.350 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -15.505 -3.528 2.709 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.479 -5.357 1.447 1.00 0.00 N ATOM 0 H ASN A 72 -12.091 -3.646 1.436 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.389 -3.136 3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.079 -5.598 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.823 -5.645 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.373 -5.114 1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.997 -6.213 1.171 1.00 0.00 H new ATOM 1124 N SER A 73 -10.416 -4.003 3.896 1.00 0.00 N ATOM 1125 CA SER A 73 -9.272 -4.419 4.646 1.00 0.00 C ATOM 1126 C SER A 73 -8.393 -3.225 5.009 1.00 0.00 C ATOM 1127 O SER A 73 -8.427 -2.184 4.347 1.00 0.00 O ATOM 1128 CB SER A 73 -8.486 -5.448 3.838 1.00 0.00 C ATOM 1129 OG SER A 73 -9.305 -6.569 3.536 1.00 0.00 O ATOM 0 H SER A 73 -10.199 -3.473 3.052 1.00 0.00 H new ATOM 0 HA SER A 73 -9.604 -4.875 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.123 -4.995 2.915 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.610 -5.770 4.401 1.00 0.00 H new ATOM 0 HG SER A 73 -8.789 -7.220 3.016 1.00 0.00 H new ATOM 1135 N SER A 74 -7.677 -3.358 6.090 1.00 0.00 N ATOM 1136 CA SER A 74 -6.725 -2.378 6.509 1.00 0.00 C ATOM 1137 C SER A 74 -5.336 -3.012 6.474 1.00 0.00 C ATOM 1138 O SER A 74 -5.143 -4.153 6.943 1.00 0.00 O ATOM 1139 CB SER A 74 -7.070 -1.905 7.908 1.00 0.00 C ATOM 1140 OG SER A 74 -8.431 -1.465 7.966 1.00 0.00 O ATOM 0 H SER A 74 -7.742 -4.164 6.712 1.00 0.00 H new ATOM 0 HA SER A 74 -6.742 -1.514 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.912 -2.714 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.406 -1.091 8.197 1.00 0.00 H new ATOM 0 HG SER A 74 -8.639 -1.164 8.875 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.390 -2.312 5.915 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.069 -2.847 5.724 1.00 0.00 C ATOM 1148 C VAL A 75 -1.974 -1.922 6.287 1.00 0.00 C ATOM 1149 O VAL A 75 -2.177 -0.727 6.471 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.800 -3.204 4.213 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.672 -4.370 3.766 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.081 -2.024 3.297 1.00 0.00 C ATOM 0 H VAL A 75 -4.511 -1.357 5.579 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.023 -3.774 6.296 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.746 -3.473 4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.468 -4.597 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.451 -5.245 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.723 -4.104 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.884 -2.310 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.124 -1.726 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.437 -1.189 3.571 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.854 -2.508 6.594 1.00 0.00 N ATOM 1163 CA ILE A 76 0.319 -1.829 7.099 1.00 0.00 C ATOM 1164 C ILE A 76 1.268 -1.682 5.934 1.00 0.00 C ATOM 1165 O ILE A 76 1.557 -2.666 5.235 1.00 0.00 O ATOM 1166 CB ILE A 76 1.039 -2.679 8.201 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.084 -3.046 9.349 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.280 -1.960 8.741 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.501 -1.862 10.083 1.00 0.00 C ATOM 0 H ILE A 76 -0.720 -3.515 6.498 1.00 0.00 H new ATOM 0 HA ILE A 76 0.029 -0.873 7.535 1.00 0.00 H new ATOM 0 HB ILE A 76 1.363 -3.605 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.732 -3.647 8.947 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.619 -3.672 10.063 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.755 -2.577 9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.982 -1.785 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.986 -1.006 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.162 -2.215 10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.304 -1.270 10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.068 -1.245 9.386 1.00 0.00 H new ATOM 1181 N VAL A 77 1.738 -0.505 5.706 1.00 0.00 N ATOM 1182 CA VAL A 77 2.603 -0.266 4.595 1.00 0.00 C ATOM 1183 C VAL A 77 4.015 -0.016 5.100 1.00 0.00 C ATOM 1184 O VAL A 77 4.276 0.955 5.814 1.00 0.00 O ATOM 1185 CB VAL A 77 2.087 0.907 3.741 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.949 1.105 2.537 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.664 0.641 3.316 1.00 0.00 C ATOM 0 H VAL A 77 1.538 0.316 6.277 1.00 0.00 H new ATOM 0 HA VAL A 77 2.617 -1.145 3.951 1.00 0.00 H new ATOM 0 HB VAL A 77 2.122 1.816 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.566 1.939 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.970 1.322 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.941 0.199 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.303 1.473 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.625 -0.277 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.034 0.534 4.199 1.00 0.00 H new ATOM 1197 N ARG A 78 4.903 -0.903 4.752 1.00 0.00 N ATOM 1198 CA ARG A 78 6.248 -0.877 5.237 1.00 0.00 C ATOM 1199 C ARG A 78 7.226 -0.658 4.086 1.00 0.00 C ATOM 1200 O ARG A 78 7.199 -1.365 3.085 1.00 0.00 O ATOM 1201 CB ARG A 78 6.523 -2.199 5.960 1.00 0.00 C ATOM 1202 CG ARG A 78 7.888 -2.311 6.617 1.00 0.00 C ATOM 1203 CD ARG A 78 8.008 -3.612 7.401 1.00 0.00 C ATOM 1204 NE ARG A 78 8.106 -4.812 6.541 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.164 -5.776 6.414 1.00 0.00 C ATOM 1206 NH1 ARG A 78 5.933 -5.597 6.901 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.457 -6.892 5.764 1.00 0.00 N ATOM 0 H ARG A 78 4.707 -1.675 4.114 1.00 0.00 H new ATOM 0 HA ARG A 78 6.383 -0.050 5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.758 -2.342 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.415 -3.014 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.667 -2.267 5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.046 -1.464 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.888 -3.561 8.042 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.143 -3.714 8.056 1.00 0.00 H new ATOM 0 HE ARG A 78 8.960 -4.923 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.694 -4.726 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.232 -6.331 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.386 -7.020 5.364 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.753 -7.623 5.664 1.00 0.00 H new ATOM 1221 N ARG A 79 8.061 0.322 4.225 1.00 0.00 N ATOM 1222 CA ARG A 79 9.051 0.624 3.222 1.00 0.00 C ATOM 1223 C ARG A 79 10.314 -0.148 3.513 1.00 0.00 C ATOM 1224 O ARG A 79 10.999 0.108 4.506 1.00 0.00 O ATOM 1225 CB ARG A 79 9.320 2.122 3.184 1.00 0.00 C ATOM 1226 CG ARG A 79 10.491 2.548 2.318 1.00 0.00 C ATOM 1227 CD ARG A 79 10.637 4.054 2.327 1.00 0.00 C ATOM 1228 NE ARG A 79 10.668 4.593 3.686 1.00 0.00 N ATOM 1229 CZ ARG A 79 10.680 5.888 4.008 1.00 0.00 C ATOM 1230 NH1 ARG A 79 10.770 6.833 3.062 1.00 0.00 N ATOM 1231 NH2 ARG A 79 10.617 6.238 5.283 1.00 0.00 N ATOM 0 H ARG A 79 8.082 0.941 5.036 1.00 0.00 H new ATOM 0 HA ARG A 79 8.680 0.326 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.422 2.627 2.827 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.497 2.469 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.408 2.086 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.342 2.197 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.553 4.333 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.809 4.502 1.778 1.00 0.00 H new ATOM 0 HE ARG A 79 10.682 3.922 4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.831 6.567 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.778 7.819 3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.560 5.521 6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.625 7.225 5.542 1.00 0.00 H new ATOM 1245 N ILE A 80 10.609 -1.088 2.670 1.00 0.00 N ATOM 1246 CA ILE A 80 11.754 -1.932 2.852 1.00 0.00 C ATOM 1247 C ILE A 80 12.769 -1.585 1.758 1.00 0.00 C ATOM 1248 O ILE A 80 12.383 -1.110 0.713 1.00 0.00 O ATOM 1249 CB ILE A 80 11.332 -3.468 2.852 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.852 -3.970 1.484 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.235 -3.718 3.871 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.964 -4.579 0.628 1.00 0.00 C ATOM 0 H ILE A 80 10.063 -1.294 1.834 1.00 0.00 H new ATOM 0 HA ILE A 80 12.217 -1.760 3.824 1.00 0.00 H new ATOM 0 HB ILE A 80 12.235 -4.021 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.071 -4.716 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.400 -3.140 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.959 -4.772 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.593 -3.450 4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.364 -3.112 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.550 -4.912 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.735 -3.830 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.401 -5.430 1.151 1.00 0.00 H new ATOM 1264 N PRO A 81 14.057 -1.727 1.990 1.00 0.00 N ATOM 1265 CA PRO A 81 15.062 -1.394 0.980 1.00 0.00 C ATOM 1266 C PRO A 81 15.235 -2.499 -0.081 1.00 0.00 C ATOM 1267 O PRO A 81 15.242 -3.691 0.243 1.00 0.00 O ATOM 1268 CB PRO A 81 16.334 -1.281 1.812 1.00 0.00 C ATOM 1269 CG PRO A 81 16.128 -2.286 2.896 1.00 0.00 C ATOM 1270 CD PRO A 81 14.672 -2.196 3.249 1.00 0.00 C ATOM 0 HA PRO A 81 14.795 -0.500 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.222 -1.504 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.463 -0.276 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.389 -3.289 2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.756 -2.067 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.271 -3.161 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.497 -1.499 4.069 1.00 0.00 H new