USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 824 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 66 ASN :FLIP amide:sc= -3.13! C(o=-6.8!,f=-5.2!) USER MOD Set 1.2: A 85 SER OG : rot 61:sc= -2.08! USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.796! C(o=-0.8!,f=-4.3!) USER MOD Single : A 17 CYS SG : rot -0:sc= 0.279 USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0362) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0.039 (180deg=0.0379) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.47) USER MOD Single : A 26 ASN :FLIP amide:sc= -1.1 F(o=-2.3,f=-1.1) USER MOD Single : A 27 TYR OH : rot 40:sc= 0.772 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0382) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-3.8!) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00344) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.78! X(o=-2.8!,f=-2.4) USER MOD Single : A 77 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 21:sc= 0.1 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.638 F(o=-1.2,f=-0.64) USER MOD Single : A 106 GLN : amide:sc=-0.00454 K(o=-0.0045,f=-1.8) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -9.810 -12.245 9.084 1.00 0.00 N ATOM 105 CA THR A 11 -9.769 -10.880 8.576 1.00 0.00 C ATOM 106 C THR A 11 -8.788 -10.026 9.372 1.00 0.00 C ATOM 107 O THR A 11 -8.715 -10.126 10.597 1.00 0.00 O ATOM 108 CB THR A 11 -11.160 -10.220 8.622 1.00 0.00 C ATOM 109 OG1 THR A 11 -11.087 -8.884 8.113 1.00 0.00 O ATOM 110 CG2 THR A 11 -11.701 -10.198 10.044 1.00 0.00 C ATOM 0 HA THR A 11 -9.438 -10.940 7.539 1.00 0.00 H new ATOM 0 HB THR A 11 -11.837 -10.807 8.001 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.976 -8.473 8.144 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.684 -9.727 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.784 -11.219 10.417 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.023 -9.632 10.683 1.00 0.00 H new ATOM 118 N PHE A 12 -8.035 -9.187 8.668 1.00 0.00 N ATOM 119 CA PHE A 12 -7.058 -8.316 9.310 1.00 0.00 C ATOM 120 C PHE A 12 -7.548 -6.871 9.331 1.00 0.00 C ATOM 121 O PHE A 12 -8.352 -6.465 8.494 1.00 0.00 O ATOM 122 CB PHE A 12 -5.714 -8.399 8.583 1.00 0.00 C ATOM 123 CG PHE A 12 -5.083 -9.761 8.643 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.423 -10.738 7.721 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.151 -10.065 9.621 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.845 -11.992 7.775 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.569 -11.317 9.680 1.00 0.00 C ATOM 128 CZ PHE A 12 -3.916 -12.282 8.755 1.00 0.00 C ATOM 0 H PHE A 12 -8.083 -9.092 7.654 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.929 -8.653 10.339 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.857 -8.119 7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.029 -7.671 9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.148 -10.517 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.875 -9.314 10.347 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.120 -12.745 7.051 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.844 -11.541 10.448 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.462 -13.261 8.798 1.00 0.00 H new ATOM 138 N ASN A 13 -7.057 -6.100 10.296 1.00 0.00 N ATOM 139 CA ASN A 13 -7.446 -4.700 10.428 1.00 0.00 C ATOM 140 C ASN A 13 -6.324 -3.778 9.959 1.00 0.00 C ATOM 141 O ASN A 13 -5.451 -3.379 10.730 1.00 0.00 O ATOM 142 CB ASN A 13 -7.807 -4.385 11.881 1.00 0.00 C ATOM 143 CG ASN A 13 -6.621 -4.527 12.816 1.00 0.00 C ATOM 144 OD1 ASN A 13 -5.968 -5.570 12.853 1.00 0.00 O ATOM 145 ND2 ASN A 13 -6.337 -3.476 13.576 1.00 0.00 N ATOM 0 H ASN A 13 -6.390 -6.420 10.998 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.319 -4.530 9.799 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.196 -3.369 11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.605 -5.052 12.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.550 -3.513 14.224 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.906 -2.632 13.512 1.00 0.00 H new ATOM 152 N PRO A 14 -6.348 -3.429 8.664 1.00 0.00 N ATOM 153 CA PRO A 14 -5.341 -2.549 8.063 1.00 0.00 C ATOM 154 C PRO A 14 -5.463 -1.110 8.553 1.00 0.00 C ATOM 155 O PRO A 14 -6.325 -0.795 9.374 1.00 0.00 O ATOM 156 CB PRO A 14 -5.647 -2.631 6.565 1.00 0.00 C ATOM 157 CG PRO A 14 -7.091 -2.993 6.493 1.00 0.00 C ATOM 158 CD PRO A 14 -7.359 -3.867 7.687 1.00 0.00 C ATOM 0 HA PRO A 14 -4.327 -2.853 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.452 -1.681 6.068 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.026 -3.380 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.718 -2.102 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.315 -3.520 5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.371 -3.729 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.251 -4.924 7.444 1.00 0.00 H new ATOM 166 N ARG A 15 -4.594 -0.242 8.046 1.00 0.00 N ATOM 167 CA ARG A 15 -4.604 1.164 8.433 1.00 0.00 C ATOM 168 C ARG A 15 -4.563 2.067 7.204 1.00 0.00 C ATOM 169 O ARG A 15 -3.595 2.053 6.445 1.00 0.00 O ATOM 170 CB ARG A 15 -3.415 1.472 9.345 1.00 0.00 C ATOM 171 CG ARG A 15 -3.484 2.845 9.993 1.00 0.00 C ATOM 172 CD ARG A 15 -2.095 3.410 10.250 1.00 0.00 C ATOM 173 NE ARG A 15 -1.345 2.604 11.209 1.00 0.00 N ATOM 174 CZ ARG A 15 -0.020 2.611 11.298 1.00 0.00 C ATOM 175 NH1 ARG A 15 0.698 3.379 10.489 1.00 0.00 N ATOM 176 NH2 ARG A 15 0.590 1.850 12.197 1.00 0.00 N ATOM 0 H ARG A 15 -3.874 -0.487 7.366 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.529 1.359 8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.361 0.713 10.126 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.495 1.399 8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.041 3.525 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.030 2.778 10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.545 3.461 9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.182 4.430 10.624 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.868 2.002 11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.232 3.966 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.716 3.383 10.559 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.041 1.258 12.821 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.608 1.856 12.264 1.00 0.00 H new ATOM 190 N GLU A 16 -5.621 2.849 7.016 1.00 0.00 N ATOM 191 CA GLU A 16 -5.706 3.757 5.878 1.00 0.00 C ATOM 192 C GLU A 16 -4.804 4.971 6.082 1.00 0.00 C ATOM 193 O GLU A 16 -4.507 5.354 7.214 1.00 0.00 O ATOM 194 CB GLU A 16 -7.152 4.213 5.667 1.00 0.00 C ATOM 195 CG GLU A 16 -7.271 5.547 4.950 1.00 0.00 C ATOM 196 CD GLU A 16 -6.849 6.716 5.819 1.00 0.00 C ATOM 197 OE1 GLU A 16 -7.126 6.682 7.036 1.00 0.00 O ATOM 198 OE2 GLU A 16 -6.240 7.665 5.281 1.00 0.00 O ATOM 0 H GLU A 16 -6.430 2.872 7.636 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.369 3.219 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.684 3.453 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.646 4.285 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.656 5.528 4.050 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.302 5.692 4.629 1.00 0.00 H new ATOM 205 N CYS A 17 -4.371 5.571 4.979 1.00 0.00 N ATOM 206 CA CYS A 17 -3.501 6.741 5.035 1.00 0.00 C ATOM 207 C CYS A 17 -3.769 7.675 3.860 1.00 0.00 C ATOM 208 O CYS A 17 -3.595 7.298 2.701 1.00 0.00 O ATOM 209 CB CYS A 17 -2.033 6.311 5.036 1.00 0.00 C ATOM 210 SG CYS A 17 -1.557 5.315 6.469 1.00 0.00 S ATOM 0 H CYS A 17 -4.608 5.267 4.035 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.715 7.279 5.959 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.831 5.742 4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.405 7.201 5.001 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.586 5.154 7.247 1.00 0.00 H new ATOM 216 N LYS A 18 -4.196 8.895 4.167 1.00 0.00 N ATOM 217 CA LYS A 18 -4.490 9.885 3.137 1.00 0.00 C ATOM 218 C LYS A 18 -3.310 10.833 2.942 1.00 0.00 C ATOM 219 O LYS A 18 -2.953 11.589 3.845 1.00 0.00 O ATOM 220 CB LYS A 18 -5.742 10.682 3.509 1.00 0.00 C ATOM 221 CG LYS A 18 -7.035 10.036 3.041 1.00 0.00 C ATOM 222 CD LYS A 18 -7.416 10.499 1.644 1.00 0.00 C ATOM 223 CE LYS A 18 -8.908 10.344 1.393 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.699 11.401 2.082 1.00 0.00 N ATOM 0 H LYS A 18 -4.346 9.222 5.121 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.668 9.357 2.200 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.777 10.803 4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.668 11.681 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.925 8.952 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.837 10.279 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.131 11.543 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.860 9.923 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.102 10.386 0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.234 9.363 1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.681 11.377 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.684 11.233 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.285 12.333 1.878 1.00 0.00 H new ATOM 238 N LEU A 19 -2.712 10.788 1.757 1.00 0.00 N ATOM 239 CA LEU A 19 -1.573 11.644 1.442 1.00 0.00 C ATOM 240 C LEU A 19 -1.984 12.773 0.502 1.00 0.00 C ATOM 241 O LEU A 19 -2.668 12.545 -0.496 1.00 0.00 O ATOM 242 CB LEU A 19 -0.450 10.821 0.809 1.00 0.00 C ATOM 243 CG LEU A 19 0.568 10.219 1.777 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.080 8.876 2.298 1.00 0.00 C ATOM 245 CD2 LEU A 19 1.924 10.070 1.101 1.00 0.00 C ATOM 0 H LEU A 19 -2.996 10.168 0.998 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.212 12.083 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.900 10.010 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.083 11.455 0.101 1.00 0.00 H new ATOM 0 HG LEU A 19 0.679 10.896 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.818 8.463 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.867 9.011 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.061 8.191 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.636 9.640 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.829 9.415 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.279 11.049 0.778 1.00 0.00 H new ATOM 257 N SER A 20 -1.561 13.990 0.826 1.00 0.00 N ATOM 258 CA SER A 20 -1.887 15.155 0.012 1.00 0.00 C ATOM 259 C SER A 20 -0.632 15.964 -0.305 1.00 0.00 C ATOM 260 O SER A 20 0.139 16.312 0.590 1.00 0.00 O ATOM 261 CB SER A 20 -2.909 16.038 0.731 1.00 0.00 C ATOM 262 OG SER A 20 -4.198 15.450 0.704 1.00 0.00 O ATOM 0 H SER A 20 -0.991 14.195 1.647 1.00 0.00 H new ATOM 0 HA SER A 20 -2.318 14.803 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.598 16.193 1.764 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.943 17.019 0.258 1.00 0.00 H new ATOM 0 HG SER A 20 -4.833 16.032 1.171 1.00 0.00 H new ATOM 268 N LYS A 21 -0.435 16.261 -1.585 1.00 0.00 N ATOM 269 CA LYS A 21 0.724 17.030 -2.023 1.00 0.00 C ATOM 270 C LYS A 21 0.296 18.231 -2.859 1.00 0.00 C ATOM 271 O LYS A 21 -0.855 18.322 -3.286 1.00 0.00 O ATOM 272 CB LYS A 21 1.674 16.144 -2.832 1.00 0.00 C ATOM 273 CG LYS A 21 1.025 15.511 -4.050 1.00 0.00 C ATOM 274 CD LYS A 21 2.055 14.846 -4.948 1.00 0.00 C ATOM 275 CE LYS A 21 1.431 14.360 -6.248 1.00 0.00 C ATOM 276 NZ LYS A 21 2.253 13.302 -6.897 1.00 0.00 N ATOM 0 H LYS A 21 -1.064 15.981 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 21 1.243 17.394 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.528 16.740 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.061 15.356 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.290 14.773 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.487 16.273 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.856 15.551 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.507 14.004 -4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.432 13.972 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.316 15.201 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.821 13.034 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.214 13.663 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.300 12.469 -6.276 1.00 0.00 H new ATOM 290 N GLN A 22 1.229 19.149 -3.091 1.00 0.00 N ATOM 291 CA GLN A 22 0.946 20.343 -3.878 1.00 0.00 C ATOM 292 C GLN A 22 1.214 20.096 -5.358 1.00 0.00 C ATOM 293 O GLN A 22 2.110 19.333 -5.717 1.00 0.00 O ATOM 294 CB GLN A 22 1.794 21.517 -3.383 1.00 0.00 C ATOM 295 CG GLN A 22 1.509 21.909 -1.943 1.00 0.00 C ATOM 296 CD GLN A 22 2.426 23.009 -1.445 1.00 0.00 C ATOM 297 OE1 GLN A 22 3.507 22.741 -0.918 1.00 0.00 O ATOM 298 NE2 GLN A 22 2.000 24.255 -1.609 1.00 0.00 N ATOM 0 H GLN A 22 2.187 19.089 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.109 20.587 -3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.849 21.258 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.618 22.379 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.473 22.238 -1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.618 21.033 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.098 24.432 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.575 25.036 -1.293 1.00 0.00 H new ATOM 307 N GLU A 23 0.430 20.745 -6.213 1.00 0.00 N ATOM 308 CA GLU A 23 0.582 20.593 -7.655 1.00 0.00 C ATOM 309 C GLU A 23 2.036 20.797 -8.073 1.00 0.00 C ATOM 310 O GLU A 23 2.513 21.927 -8.168 1.00 0.00 O ATOM 311 CB GLU A 23 -0.316 21.588 -8.393 1.00 0.00 C ATOM 312 CG GLU A 23 -0.064 23.037 -8.009 1.00 0.00 C ATOM 313 CD GLU A 23 -1.248 23.935 -8.309 1.00 0.00 C ATOM 314 OE1 GLU A 23 -1.477 24.238 -9.499 1.00 0.00 O ATOM 315 OE2 GLU A 23 -1.947 24.334 -7.354 1.00 0.00 O ATOM 0 H GLU A 23 -0.317 21.381 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 23 0.284 19.579 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.165 21.474 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.359 21.343 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.168 23.092 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.811 23.404 -8.546 1.00 0.00 H new ATOM 322 N GLY A 24 2.734 19.693 -8.322 1.00 0.00 N ATOM 323 CA GLY A 24 4.126 19.771 -8.726 1.00 0.00 C ATOM 324 C GLY A 24 5.068 19.234 -7.667 1.00 0.00 C ATOM 325 O GLY A 24 6.075 18.603 -7.986 1.00 0.00 O ATOM 0 H GLY A 24 2.361 18.746 -8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.265 19.210 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.381 20.809 -8.942 1.00 0.00 H new ATOM 329 N GLN A 25 4.741 19.487 -6.403 1.00 0.00 N ATOM 330 CA GLN A 25 5.568 19.026 -5.294 1.00 0.00 C ATOM 331 C GLN A 25 5.500 17.509 -5.158 1.00 0.00 C ATOM 332 O GLN A 25 4.540 16.879 -5.602 1.00 0.00 O ATOM 333 CB GLN A 25 5.122 19.688 -3.989 1.00 0.00 C ATOM 334 CG GLN A 25 6.189 19.675 -2.906 1.00 0.00 C ATOM 335 CD GLN A 25 7.531 20.175 -3.402 1.00 0.00 C ATOM 336 OE1 GLN A 25 7.622 21.239 -4.016 1.00 0.00 O ATOM 337 NE2 GLN A 25 8.583 19.410 -3.137 1.00 0.00 N ATOM 0 H GLN A 25 3.910 20.008 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 25 6.600 19.307 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.836 20.720 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.233 19.178 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.861 20.294 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.302 18.660 -2.525 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.462 18.536 -2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.512 19.696 -3.445 1.00 0.00 H new ATOM 346 N ASN A 26 6.524 16.928 -4.542 1.00 0.00 N ATOM 347 CA ASN A 26 6.581 15.484 -4.349 1.00 0.00 C ATOM 348 C ASN A 26 5.949 15.088 -3.018 1.00 0.00 C ATOM 349 O ASN A 26 5.601 15.945 -2.205 1.00 0.00 O ATOM 350 CB ASN A 26 8.030 14.997 -4.403 1.00 0.00 C ATOM 351 CG ASN A 26 8.130 13.500 -4.622 1.00 0.00 C ATOM 352 OD1 ASN A 26 8.876 12.824 -3.756 1.00 0.00 O flip ATOM 353 ND2 ASN A 26 7.543 12.958 -5.559 1.00 0.00 N flip ATOM 0 H ASN A 26 7.326 17.435 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 26 6.017 15.013 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.554 15.515 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.533 15.260 -3.473 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.980 13.517 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.619 11.950 -5.694 1.00 0.00 H new ATOM 360 N TYR A 27 5.804 13.785 -2.802 1.00 0.00 N ATOM 361 CA TYR A 27 5.213 13.276 -1.570 1.00 0.00 C ATOM 362 C TYR A 27 6.277 13.080 -0.495 1.00 0.00 C ATOM 363 O TYR A 27 6.002 13.203 0.697 1.00 0.00 O ATOM 364 CB TYR A 27 4.491 11.953 -1.836 1.00 0.00 C ATOM 365 CG TYR A 27 3.047 12.125 -2.249 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.114 12.672 -1.377 1.00 0.00 C ATOM 367 CD2 TYR A 27 2.615 11.740 -3.512 1.00 0.00 C ATOM 368 CE1 TYR A 27 0.793 12.829 -1.750 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.296 11.895 -3.895 1.00 0.00 C ATOM 370 CZ TYR A 27 0.389 12.440 -3.010 1.00 0.00 C ATOM 371 OH TYR A 27 -0.925 12.596 -3.386 1.00 0.00 O ATOM 0 H TYR A 27 6.088 13.063 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 27 4.492 14.011 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.022 11.410 -2.618 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.532 11.339 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.427 12.980 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.322 11.312 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.081 13.254 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.977 11.591 -4.881 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.261 13.454 -3.053 1.00 0.00 H new ATOM 381 N GLY A 28 7.497 12.774 -0.928 1.00 0.00 N ATOM 382 CA GLY A 28 8.586 12.566 0.009 1.00 0.00 C ATOM 383 C GLY A 28 9.042 11.121 0.056 1.00 0.00 C ATOM 384 O GLY A 28 10.199 10.838 0.370 1.00 0.00 O ATOM 0 H GLY A 28 7.750 12.667 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.427 13.200 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.269 12.876 1.005 1.00 0.00 H new ATOM 388 N PHE A 29 8.132 10.204 -0.254 1.00 0.00 N ATOM 389 CA PHE A 29 8.446 8.781 -0.243 1.00 0.00 C ATOM 390 C PHE A 29 8.493 8.223 -1.663 1.00 0.00 C ATOM 391 O PHE A 29 7.946 8.816 -2.593 1.00 0.00 O ATOM 392 CB PHE A 29 7.412 8.015 0.584 1.00 0.00 C ATOM 393 CG PHE A 29 6.168 7.669 -0.182 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.209 8.634 -0.444 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.957 6.379 -0.641 1.00 0.00 C ATOM 396 CE1 PHE A 29 4.063 8.319 -1.149 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.813 6.058 -1.347 1.00 0.00 C ATOM 398 CZ PHE A 29 3.864 7.029 -1.601 1.00 0.00 C ATOM 0 H PHE A 29 7.171 10.421 -0.516 1.00 0.00 H new ATOM 0 HA PHE A 29 9.429 8.655 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.866 7.097 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.139 8.613 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.359 9.644 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.695 5.615 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.323 9.081 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.661 5.049 -1.700 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.969 6.780 -2.152 1.00 0.00 H new ATOM 408 N PHE A 30 9.150 7.079 -1.821 1.00 0.00 N ATOM 409 CA PHE A 30 9.269 6.440 -3.127 1.00 0.00 C ATOM 410 C PHE A 30 8.781 4.996 -3.073 1.00 0.00 C ATOM 411 O PHE A 30 8.658 4.410 -1.997 1.00 0.00 O ATOM 412 CB PHE A 30 10.721 6.483 -3.608 1.00 0.00 C ATOM 413 CG PHE A 30 11.222 7.872 -3.881 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.934 8.503 -5.081 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.981 8.547 -2.939 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.393 9.782 -5.335 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.442 9.826 -3.188 1.00 0.00 C ATOM 418 CZ PHE A 30 12.149 10.443 -4.388 1.00 0.00 C ATOM 0 H PHE A 30 9.608 6.575 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 30 8.644 6.989 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.358 6.017 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.812 5.888 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.344 7.990 -5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.215 8.068 -2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.160 10.263 -6.273 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.031 10.342 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.511 11.441 -4.585 1.00 0.00 H new ATOM 428 N LEU A 31 8.505 4.427 -4.241 1.00 0.00 N ATOM 429 CA LEU A 31 8.030 3.050 -4.329 1.00 0.00 C ATOM 430 C LEU A 31 9.015 2.183 -5.106 1.00 0.00 C ATOM 431 O LEU A 31 9.144 2.311 -6.324 1.00 0.00 O ATOM 432 CB LEU A 31 6.655 3.006 -4.998 1.00 0.00 C ATOM 433 CG LEU A 31 5.452 3.183 -4.072 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.239 3.657 -4.857 1.00 0.00 C ATOM 435 CD2 LEU A 31 5.143 1.883 -3.344 1.00 0.00 C ATOM 0 H LEU A 31 8.602 4.898 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 31 7.947 2.655 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.619 3.784 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.554 2.051 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 31 5.698 3.942 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.392 3.777 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.463 4.612 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.991 2.921 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.284 2.028 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.917 1.103 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.006 1.585 -2.749 1.00 0.00 H new ATOM 447 N ARG A 32 9.706 1.298 -4.394 1.00 0.00 N ATOM 448 CA ARG A 32 10.678 0.408 -5.018 1.00 0.00 C ATOM 449 C ARG A 32 10.467 -1.032 -4.562 1.00 0.00 C ATOM 450 O ARG A 32 10.114 -1.284 -3.410 1.00 0.00 O ATOM 451 CB ARG A 32 12.102 0.857 -4.681 1.00 0.00 C ATOM 452 CG ARG A 32 12.358 1.000 -3.189 1.00 0.00 C ATOM 453 CD ARG A 32 13.827 0.792 -2.854 1.00 0.00 C ATOM 454 NE ARG A 32 14.235 1.561 -1.682 1.00 0.00 N ATOM 455 CZ ARG A 32 15.503 1.799 -1.364 1.00 0.00 C ATOM 456 NH1 ARG A 32 16.480 1.329 -2.127 1.00 0.00 N ATOM 457 NH2 ARG A 32 15.795 2.508 -0.281 1.00 0.00 N ATOM 0 H ARG A 32 9.611 1.178 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 32 10.535 0.454 -6.098 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.808 0.138 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.298 1.812 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.045 1.990 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.753 0.276 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.011 -0.267 -2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.438 1.082 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 32 13.507 1.936 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.259 0.783 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.453 1.513 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.046 2.871 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.769 2.690 -0.038 1.00 0.00 H new ATOM 471 N ILE A 33 10.684 -1.974 -5.475 1.00 0.00 N ATOM 472 CA ILE A 33 10.518 -3.389 -5.166 1.00 0.00 C ATOM 473 C ILE A 33 11.862 -4.109 -5.146 1.00 0.00 C ATOM 474 O ILE A 33 12.839 -3.635 -5.725 1.00 0.00 O ATOM 475 CB ILE A 33 9.592 -4.081 -6.184 1.00 0.00 C ATOM 476 CG1 ILE A 33 10.241 -4.096 -7.569 1.00 0.00 C ATOM 477 CG2 ILE A 33 8.242 -3.383 -6.233 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.100 -5.315 -7.821 1.00 0.00 C ATOM 0 H ILE A 33 10.975 -1.783 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 33 10.064 -3.446 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 33 9.434 -5.112 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.460 -4.049 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.852 -3.201 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.599 -3.884 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.777 -3.421 -5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.381 -2.343 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.528 -5.258 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.903 -5.353 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.489 -6.214 -7.738 1.00 0.00 H new ATOM 490 N GLU A 34 11.902 -5.257 -4.477 1.00 0.00 N ATOM 491 CA GLU A 34 13.127 -6.042 -4.383 1.00 0.00 C ATOM 492 C GLU A 34 12.881 -7.487 -4.810 1.00 0.00 C ATOM 493 O GLU A 34 11.739 -7.944 -4.866 1.00 0.00 O ATOM 494 CB GLU A 34 13.673 -6.008 -2.954 1.00 0.00 C ATOM 495 CG GLU A 34 14.542 -4.796 -2.664 1.00 0.00 C ATOM 496 CD GLU A 34 15.824 -4.790 -3.474 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.754 -4.530 -4.694 1.00 0.00 O ATOM 498 OE2 GLU A 34 16.897 -5.046 -2.888 1.00 0.00 O ATOM 0 H GLU A 34 11.101 -5.663 -3.993 1.00 0.00 H new ATOM 0 HA GLU A 34 13.863 -5.602 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.837 -6.021 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.254 -6.913 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.977 -3.889 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.787 -4.775 -1.602 1.00 0.00 H new ATOM 505 N LYS A 35 13.960 -8.200 -5.112 1.00 0.00 N ATOM 506 CA LYS A 35 13.864 -9.593 -5.534 1.00 0.00 C ATOM 507 C LYS A 35 13.555 -10.500 -4.348 1.00 0.00 C ATOM 508 O LYS A 35 14.033 -10.271 -3.237 1.00 0.00 O ATOM 509 CB LYS A 35 15.168 -10.035 -6.202 1.00 0.00 C ATOM 510 CG LYS A 35 15.014 -11.263 -7.083 1.00 0.00 C ATOM 511 CD LYS A 35 16.348 -11.952 -7.318 1.00 0.00 C ATOM 512 CE LYS A 35 17.214 -11.170 -8.294 1.00 0.00 C ATOM 513 NZ LYS A 35 16.740 -11.319 -9.698 1.00 0.00 N ATOM 0 H LYS A 35 14.912 -7.836 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 35 13.049 -9.674 -6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.555 -9.213 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.910 -10.242 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.320 -11.962 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.580 -10.973 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.874 -12.062 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.177 -12.956 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.209 -10.115 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.246 -11.514 -8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.438 -10.901 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.623 -12.328 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.828 -10.832 -9.810 1.00 0.00 H new ATOM 527 N ASP A 36 12.754 -11.532 -4.592 1.00 0.00 N ATOM 528 CA ASP A 36 12.383 -12.476 -3.544 1.00 0.00 C ATOM 529 C ASP A 36 11.754 -11.752 -2.358 1.00 0.00 C ATOM 530 O ASP A 36 12.166 -11.939 -1.212 1.00 0.00 O ATOM 531 CB ASP A 36 13.608 -13.267 -3.084 1.00 0.00 C ATOM 532 CG ASP A 36 13.926 -14.429 -4.003 1.00 0.00 C ATOM 533 OD1 ASP A 36 13.314 -15.505 -3.834 1.00 0.00 O ATOM 534 OD2 ASP A 36 14.786 -14.263 -4.893 1.00 0.00 O ATOM 0 H ASP A 36 12.349 -11.736 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 36 11.648 -13.167 -3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.469 -12.601 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.437 -13.642 -2.075 1.00 0.00 H new ATOM 539 N THR A 37 10.754 -10.922 -2.639 1.00 0.00 N ATOM 540 CA THR A 37 10.070 -10.168 -1.597 1.00 0.00 C ATOM 541 C THR A 37 8.587 -10.011 -1.915 1.00 0.00 C ATOM 542 O THR A 37 8.208 -9.812 -3.069 1.00 0.00 O ATOM 543 CB THR A 37 10.694 -8.772 -1.411 1.00 0.00 C ATOM 544 OG1 THR A 37 12.095 -8.895 -1.141 1.00 0.00 O ATOM 545 CG2 THR A 37 10.017 -8.023 -0.274 1.00 0.00 C ATOM 0 H THR A 37 10.400 -10.755 -3.581 1.00 0.00 H new ATOM 0 HA THR A 37 10.183 -10.734 -0.672 1.00 0.00 H new ATOM 0 HB THR A 37 10.549 -8.208 -2.332 1.00 0.00 H new ATOM 0 HG1 THR A 37 12.485 -8.004 -1.025 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.475 -7.040 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.956 -7.906 -0.496 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.134 -8.585 0.652 1.00 0.00 H new ATOM 553 N ASP A 38 7.753 -10.099 -0.885 1.00 0.00 N ATOM 554 CA ASP A 38 6.311 -9.965 -1.055 1.00 0.00 C ATOM 555 C ASP A 38 5.852 -8.554 -0.701 1.00 0.00 C ATOM 556 O ASP A 38 6.479 -7.870 0.107 1.00 0.00 O ATOM 557 CB ASP A 38 5.576 -10.987 -0.186 1.00 0.00 C ATOM 558 CG ASP A 38 6.279 -11.236 1.135 1.00 0.00 C ATOM 559 OD1 ASP A 38 6.723 -10.253 1.765 1.00 0.00 O ATOM 560 OD2 ASP A 38 6.383 -12.413 1.538 1.00 0.00 O ATOM 0 H ASP A 38 8.051 -10.263 0.077 1.00 0.00 H new ATOM 0 HA ASP A 38 6.074 -10.153 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.563 -10.635 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.489 -11.927 -0.731 1.00 0.00 H new ATOM 565 N GLY A 39 4.752 -8.124 -1.313 1.00 0.00 N ATOM 566 CA GLY A 39 4.228 -6.796 -1.051 1.00 0.00 C ATOM 567 C GLY A 39 5.202 -5.701 -1.438 1.00 0.00 C ATOM 568 O GLY A 39 6.241 -5.970 -2.043 1.00 0.00 O ATOM 0 H GLY A 39 4.215 -8.672 -1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.297 -6.661 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.988 -6.706 0.008 1.00 0.00 H new ATOM 572 N HIS A 40 4.867 -4.463 -1.091 1.00 0.00 N ATOM 573 CA HIS A 40 5.720 -3.323 -1.408 1.00 0.00 C ATOM 574 C HIS A 40 6.383 -2.774 -0.148 1.00 0.00 C ATOM 575 O HIS A 40 5.823 -2.855 0.946 1.00 0.00 O ATOM 576 CB HIS A 40 4.905 -2.223 -2.090 1.00 0.00 C ATOM 577 CG HIS A 40 4.542 -2.540 -3.508 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.473 -2.629 -4.521 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.341 -2.790 -4.080 1.00 0.00 C ATOM 580 CE1 HIS A 40 4.861 -2.919 -5.655 1.00 0.00 C ATOM 581 NE2 HIS A 40 3.566 -3.022 -5.415 1.00 0.00 N ATOM 0 H HIS A 40 4.011 -4.223 -0.590 1.00 0.00 H new ATOM 0 HA HIS A 40 6.500 -3.663 -2.090 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.992 -2.051 -1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.474 -1.294 -2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.384 -2.804 -3.580 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.338 -3.050 -6.615 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.850 -3.239 -6.108 1.00 0.00 H new ATOM 590 N LEU A 41 7.578 -2.216 -0.310 1.00 0.00 N ATOM 591 CA LEU A 41 8.318 -1.654 0.815 1.00 0.00 C ATOM 592 C LEU A 41 8.576 -0.165 0.607 1.00 0.00 C ATOM 593 O LEU A 41 9.400 0.222 -0.221 1.00 0.00 O ATOM 594 CB LEU A 41 9.645 -2.392 0.998 1.00 0.00 C ATOM 595 CG LEU A 41 9.545 -3.844 1.468 1.00 0.00 C ATOM 596 CD1 LEU A 41 9.458 -4.786 0.277 1.00 0.00 C ATOM 597 CD2 LEU A 41 10.734 -4.202 2.347 1.00 0.00 C ATOM 0 H LEU A 41 8.055 -2.141 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 41 7.714 -1.778 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.182 -2.374 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.249 -1.839 1.717 1.00 0.00 H new ATOM 0 HG LEU A 41 8.635 -3.953 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.388 -5.815 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.575 -4.544 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.349 -4.675 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.647 -5.239 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.656 -4.076 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.752 -3.548 3.219 1.00 0.00 H new ATOM 609 N ILE A 42 7.867 0.665 1.366 1.00 0.00 N ATOM 610 CA ILE A 42 8.023 2.111 1.267 1.00 0.00 C ATOM 611 C ILE A 42 9.243 2.587 2.047 1.00 0.00 C ATOM 612 O ILE A 42 9.217 2.658 3.276 1.00 0.00 O ATOM 613 CB ILE A 42 6.774 2.848 1.786 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.576 2.572 0.876 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.043 4.343 1.880 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.241 2.793 1.551 1.00 0.00 C ATOM 0 H ILE A 42 7.180 0.361 2.056 1.00 0.00 H new ATOM 0 HA ILE A 42 8.158 2.343 0.211 1.00 0.00 H new ATOM 0 HB ILE A 42 6.540 2.477 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.641 3.215 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.629 1.543 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.151 4.851 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.871 4.521 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.299 4.729 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.437 2.579 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.155 2.131 2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.167 3.829 1.881 1.00 0.00 H new ATOM 628 N ARG A 43 10.309 2.915 1.326 1.00 0.00 N ATOM 629 CA ARG A 43 11.540 3.386 1.950 1.00 0.00 C ATOM 630 C ARG A 43 11.894 4.788 1.464 1.00 0.00 C ATOM 631 O ARG A 43 11.158 5.390 0.682 1.00 0.00 O ATOM 632 CB ARG A 43 12.691 2.424 1.649 1.00 0.00 C ATOM 633 CG ARG A 43 12.349 0.966 1.909 1.00 0.00 C ATOM 634 CD ARG A 43 13.122 0.040 0.983 1.00 0.00 C ATOM 635 NE ARG A 43 14.531 -0.057 1.356 1.00 0.00 N ATOM 636 CZ ARG A 43 14.974 -0.796 2.366 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.123 -1.500 3.100 1.00 0.00 N ATOM 638 NH2 ARG A 43 16.271 -0.833 2.644 1.00 0.00 N ATOM 0 H ARG A 43 10.346 2.863 0.308 1.00 0.00 H new ATOM 0 HA ARG A 43 11.380 3.423 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.986 2.539 0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.553 2.700 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.575 0.717 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.279 0.812 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.672 -0.953 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.043 0.403 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 43 15.212 0.472 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.125 -1.475 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.466 -2.067 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.929 -0.293 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.610 -1.401 3.420 1.00 0.00 H new ATOM 652 N VAL A 44 13.026 5.303 1.934 1.00 0.00 N ATOM 653 CA VAL A 44 13.479 6.634 1.547 1.00 0.00 C ATOM 654 C VAL A 44 12.476 7.701 1.973 1.00 0.00 C ATOM 655 O VAL A 44 12.192 8.635 1.222 1.00 0.00 O ATOM 656 CB VAL A 44 13.700 6.732 0.026 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.607 7.907 -0.308 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.279 5.432 -0.512 1.00 0.00 C ATOM 0 H VAL A 44 13.646 4.819 2.583 1.00 0.00 H new ATOM 0 HA VAL A 44 14.427 6.806 2.056 1.00 0.00 H new ATOM 0 HB VAL A 44 12.736 6.901 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.751 7.960 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.149 8.832 0.042 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.572 7.772 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.429 5.518 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.234 5.231 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.589 4.614 -0.306 1.00 0.00 H new ATOM 668 N ILE A 45 11.944 7.556 3.181 1.00 0.00 N ATOM 669 CA ILE A 45 10.974 8.508 3.708 1.00 0.00 C ATOM 670 C ILE A 45 11.666 9.755 4.248 1.00 0.00 C ATOM 671 O ILE A 45 12.092 9.788 5.402 1.00 0.00 O ATOM 672 CB ILE A 45 10.121 7.882 4.827 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.372 6.655 4.301 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.144 8.907 5.384 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.713 5.838 5.390 1.00 0.00 C ATOM 0 H ILE A 45 12.168 6.788 3.814 1.00 0.00 H new ATOM 0 HA ILE A 45 10.323 8.787 2.880 1.00 0.00 H new ATOM 0 HB ILE A 45 10.782 7.563 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.612 6.980 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.069 6.021 3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.548 8.450 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.697 9.754 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.486 9.253 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.201 4.985 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.471 5.483 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.991 6.457 5.923 1.00 0.00 H new ATOM 687 N GLU A 46 11.772 10.778 3.407 1.00 0.00 N ATOM 688 CA GLU A 46 12.411 12.028 3.801 1.00 0.00 C ATOM 689 C GLU A 46 11.751 12.606 5.050 1.00 0.00 C ATOM 690 O GLU A 46 10.641 12.219 5.413 1.00 0.00 O ATOM 691 CB GLU A 46 12.343 13.044 2.659 1.00 0.00 C ATOM 692 CG GLU A 46 13.439 12.867 1.622 1.00 0.00 C ATOM 693 CD GLU A 46 14.705 13.624 1.976 1.00 0.00 C ATOM 694 OE1 GLU A 46 14.602 14.816 2.334 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.797 13.025 1.894 1.00 0.00 O ATOM 0 H GLU A 46 11.424 10.766 2.448 1.00 0.00 H new ATOM 0 HA GLU A 46 13.456 11.816 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.373 12.962 2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.406 14.050 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.670 11.807 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.075 13.208 0.653 1.00 0.00 H new ATOM 702 N GLU A 47 12.444 13.534 5.703 1.00 0.00 N ATOM 703 CA GLU A 47 11.926 14.164 6.912 1.00 0.00 C ATOM 704 C GLU A 47 10.985 15.313 6.565 1.00 0.00 C ATOM 705 O GLU A 47 11.013 15.841 5.454 1.00 0.00 O ATOM 706 CB GLU A 47 13.077 14.676 7.780 1.00 0.00 C ATOM 707 CG GLU A 47 13.751 15.920 7.224 1.00 0.00 C ATOM 708 CD GLU A 47 14.914 16.384 8.080 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.797 16.323 9.322 1.00 0.00 O ATOM 710 OE2 GLU A 47 15.939 16.809 7.508 1.00 0.00 O ATOM 0 H GLU A 47 13.365 13.866 5.415 1.00 0.00 H new ATOM 0 HA GLU A 47 11.366 13.414 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.699 14.893 8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.821 13.886 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.107 15.716 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.018 16.723 7.147 1.00 0.00 H new ATOM 717 N GLY A 48 10.149 15.697 7.526 1.00 0.00 N ATOM 718 CA GLY A 48 9.210 16.780 7.304 1.00 0.00 C ATOM 719 C GLY A 48 8.455 16.635 5.998 1.00 0.00 C ATOM 720 O GLY A 48 8.166 17.625 5.327 1.00 0.00 O ATOM 0 H GLY A 48 10.106 15.277 8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.499 16.815 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.747 17.728 7.306 1.00 0.00 H new ATOM 724 N SER A 49 8.136 15.396 5.636 1.00 0.00 N ATOM 725 CA SER A 49 7.415 15.124 4.398 1.00 0.00 C ATOM 726 C SER A 49 5.977 14.702 4.688 1.00 0.00 C ATOM 727 O SER A 49 5.661 14.176 5.756 1.00 0.00 O ATOM 728 CB SER A 49 8.127 14.031 3.598 1.00 0.00 C ATOM 729 OG SER A 49 7.665 12.744 3.970 1.00 0.00 O ATOM 0 H SER A 49 8.365 14.566 6.182 1.00 0.00 H new ATOM 0 HA SER A 49 7.395 16.041 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.958 14.187 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.202 14.097 3.764 1.00 0.00 H new ATOM 0 HG SER A 49 8.134 12.063 3.444 1.00 0.00 H new ATOM 735 N PRO A 50 5.084 14.939 3.716 1.00 0.00 N ATOM 736 CA PRO A 50 3.666 14.591 3.842 1.00 0.00 C ATOM 737 C PRO A 50 3.434 13.084 3.823 1.00 0.00 C ATOM 738 O PRO A 50 2.323 12.615 4.068 1.00 0.00 O ATOM 739 CB PRO A 50 3.030 15.246 2.613 1.00 0.00 C ATOM 740 CG PRO A 50 4.136 15.341 1.620 1.00 0.00 C ATOM 741 CD PRO A 50 5.391 15.562 2.418 1.00 0.00 C ATOM 0 HA PRO A 50 3.246 14.930 4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.203 14.648 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.627 16.230 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.207 14.430 1.026 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.966 16.163 0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.256 15.098 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.618 16.623 2.525 1.00 0.00 H new ATOM 749 N ALA A 51 4.490 12.331 3.532 1.00 0.00 N ATOM 750 CA ALA A 51 4.401 10.877 3.484 1.00 0.00 C ATOM 751 C ALA A 51 4.481 10.276 4.883 1.00 0.00 C ATOM 752 O ALA A 51 3.730 9.362 5.219 1.00 0.00 O ATOM 753 CB ALA A 51 5.502 10.310 2.600 1.00 0.00 C ATOM 0 H ALA A 51 5.417 12.704 3.326 1.00 0.00 H new ATOM 0 HA ALA A 51 3.434 10.610 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.424 9.223 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.398 10.706 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.474 10.594 3.003 1.00 0.00 H new ATOM 759 N GLU A 52 5.398 10.796 5.694 1.00 0.00 N ATOM 760 CA GLU A 52 5.576 10.308 7.057 1.00 0.00 C ATOM 761 C GLU A 52 4.478 10.840 7.973 1.00 0.00 C ATOM 762 O GLU A 52 3.933 10.107 8.800 1.00 0.00 O ATOM 763 CB GLU A 52 6.948 10.720 7.594 1.00 0.00 C ATOM 764 CG GLU A 52 7.346 9.992 8.867 1.00 0.00 C ATOM 765 CD GLU A 52 8.636 10.523 9.463 1.00 0.00 C ATOM 766 OE1 GLU A 52 9.712 10.243 8.895 1.00 0.00 O ATOM 767 OE2 GLU A 52 8.568 11.218 10.498 1.00 0.00 O ATOM 0 H GLU A 52 6.028 11.554 5.431 1.00 0.00 H new ATOM 0 HA GLU A 52 5.513 9.220 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.700 10.533 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.947 11.793 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.545 10.086 9.601 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.459 8.929 8.653 1.00 0.00 H new ATOM 774 N LYS A 53 4.157 12.120 7.821 1.00 0.00 N ATOM 775 CA LYS A 53 3.124 12.753 8.633 1.00 0.00 C ATOM 776 C LYS A 53 1.932 11.820 8.819 1.00 0.00 C ATOM 777 O LYS A 53 1.186 11.937 9.791 1.00 0.00 O ATOM 778 CB LYS A 53 2.666 14.061 7.984 1.00 0.00 C ATOM 779 CG LYS A 53 3.496 15.266 8.393 1.00 0.00 C ATOM 780 CD LYS A 53 3.093 15.781 9.764 1.00 0.00 C ATOM 781 CE LYS A 53 3.600 17.195 10.000 1.00 0.00 C ATOM 782 NZ LYS A 53 2.755 18.210 9.311 1.00 0.00 N ATOM 0 H LYS A 53 4.598 12.740 7.142 1.00 0.00 H new ATOM 0 HA LYS A 53 3.549 12.971 9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.707 13.953 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.624 14.242 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.552 14.996 8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.375 16.059 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.007 15.763 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.489 15.118 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.615 17.401 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.627 17.276 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.340 19.030 9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.343 17.793 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.992 18.517 9.948 1.00 0.00 H new ATOM 796 N ALA A 54 1.759 10.894 7.882 1.00 0.00 N ATOM 797 CA ALA A 54 0.659 9.939 7.946 1.00 0.00 C ATOM 798 C ALA A 54 1.055 8.697 8.737 1.00 0.00 C ATOM 799 O ALA A 54 0.574 7.598 8.467 1.00 0.00 O ATOM 800 CB ALA A 54 0.214 9.553 6.543 1.00 0.00 C ATOM 0 H ALA A 54 2.366 10.785 7.070 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.174 10.416 8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.608 8.840 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.118 10.443 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.049 9.099 6.008 1.00 0.00 H new ATOM 806 N GLY A 55 1.937 8.880 9.715 1.00 0.00 N ATOM 807 CA GLY A 55 2.383 7.765 10.530 1.00 0.00 C ATOM 808 C GLY A 55 2.984 6.646 9.702 1.00 0.00 C ATOM 809 O GLY A 55 3.047 5.500 10.148 1.00 0.00 O ATOM 0 H GLY A 55 2.351 9.780 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.122 8.118 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.540 7.377 11.102 1.00 0.00 H new ATOM 813 N LEU A 56 3.425 6.978 8.494 1.00 0.00 N ATOM 814 CA LEU A 56 4.023 5.991 7.601 1.00 0.00 C ATOM 815 C LEU A 56 5.488 5.755 7.952 1.00 0.00 C ATOM 816 O LEU A 56 6.262 6.702 8.106 1.00 0.00 O ATOM 817 CB LEU A 56 3.904 6.452 6.147 1.00 0.00 C ATOM 818 CG LEU A 56 3.883 5.346 5.092 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.477 4.791 4.927 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.413 5.867 3.763 1.00 0.00 C ATOM 0 H LEU A 56 3.380 7.922 8.110 1.00 0.00 H new ATOM 0 HA LEU A 56 3.483 5.052 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.991 7.040 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.738 7.119 5.929 1.00 0.00 H new ATOM 0 HG LEU A 56 4.532 4.538 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.482 4.005 4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.134 4.380 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.805 5.590 4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.391 5.067 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.790 6.694 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.438 6.214 3.891 1.00 0.00 H new ATOM 832 N LEU A 57 5.864 4.487 8.077 1.00 0.00 N ATOM 833 CA LEU A 57 7.238 4.126 8.408 1.00 0.00 C ATOM 834 C LEU A 57 7.811 3.159 7.377 1.00 0.00 C ATOM 835 O LEU A 57 7.086 2.641 6.527 1.00 0.00 O ATOM 836 CB LEU A 57 7.299 3.498 9.802 1.00 0.00 C ATOM 837 CG LEU A 57 6.044 2.755 10.259 1.00 0.00 C ATOM 838 CD1 LEU A 57 6.363 1.838 11.430 1.00 0.00 C ATOM 839 CD2 LEU A 57 4.947 3.741 10.634 1.00 0.00 C ATOM 0 H LEU A 57 5.237 3.692 7.954 1.00 0.00 H new ATOM 0 HA LEU A 57 7.839 5.035 8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.138 2.803 9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.514 4.286 10.524 1.00 0.00 H new ATOM 0 HG LEU A 57 5.686 2.142 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.457 1.317 11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.115 1.109 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.746 2.430 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.061 3.194 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.294 4.381 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.699 4.355 9.769 1.00 0.00 H new ATOM 851 N ASP A 58 9.114 2.917 7.460 1.00 0.00 N ATOM 852 CA ASP A 58 9.784 2.009 6.536 1.00 0.00 C ATOM 853 C ASP A 58 9.444 0.558 6.858 1.00 0.00 C ATOM 854 O ASP A 58 9.659 0.093 7.977 1.00 0.00 O ATOM 855 CB ASP A 58 11.298 2.216 6.592 1.00 0.00 C ATOM 856 CG ASP A 58 12.048 1.253 5.692 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.527 0.146 5.444 1.00 0.00 O ATOM 858 OD2 ASP A 58 13.156 1.606 5.237 1.00 0.00 O ATOM 0 H ASP A 58 9.728 3.337 8.158 1.00 0.00 H new ATOM 0 HA ASP A 58 9.432 2.230 5.528 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.533 3.240 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.641 2.091 7.619 1.00 0.00 H new ATOM 863 N GLY A 59 8.910 -0.154 5.870 1.00 0.00 N ATOM 864 CA GLY A 59 8.548 -1.545 6.069 1.00 0.00 C ATOM 865 C GLY A 59 7.049 -1.766 6.026 1.00 0.00 C ATOM 866 O GLY A 59 6.551 -2.784 6.505 1.00 0.00 O ATOM 0 H GLY A 59 8.722 0.208 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.024 -2.155 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.935 -1.884 7.030 1.00 0.00 H new ATOM 870 N ASP A 60 6.328 -0.809 5.452 1.00 0.00 N ATOM 871 CA ASP A 60 4.877 -0.903 5.348 1.00 0.00 C ATOM 872 C ASP A 60 4.465 -1.487 4.000 1.00 0.00 C ATOM 873 O ASP A 60 4.870 -0.991 2.948 1.00 0.00 O ATOM 874 CB ASP A 60 4.240 0.475 5.537 1.00 0.00 C ATOM 875 CG ASP A 60 4.280 0.938 6.980 1.00 0.00 C ATOM 876 OD1 ASP A 60 5.336 0.776 7.626 1.00 0.00 O ATOM 877 OD2 ASP A 60 3.255 1.463 7.463 1.00 0.00 O ATOM 0 H ASP A 60 6.725 0.041 5.052 1.00 0.00 H new ATOM 0 HA ASP A 60 4.524 -1.569 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.759 1.201 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.205 0.443 5.197 1.00 0.00 H new ATOM 882 N ARG A 61 3.659 -2.543 4.040 1.00 0.00 N ATOM 883 CA ARG A 61 3.195 -3.196 2.822 1.00 0.00 C ATOM 884 C ARG A 61 1.859 -2.614 2.369 1.00 0.00 C ATOM 885 O ARG A 61 0.864 -2.678 3.092 1.00 0.00 O ATOM 886 CB ARG A 61 3.057 -4.703 3.046 1.00 0.00 C ATOM 887 CG ARG A 61 4.304 -5.348 3.628 1.00 0.00 C ATOM 888 CD ARG A 61 5.397 -5.492 2.581 1.00 0.00 C ATOM 889 NE ARG A 61 6.449 -6.410 3.010 1.00 0.00 N ATOM 890 CZ ARG A 61 7.390 -6.089 3.891 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.410 -4.879 4.433 1.00 0.00 N ATOM 892 NH2 ARG A 61 8.313 -6.979 4.231 1.00 0.00 N ATOM 0 H ARG A 61 3.314 -2.964 4.902 1.00 0.00 H new ATOM 0 HA ARG A 61 3.934 -3.018 2.040 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.217 -4.887 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.819 -5.183 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.672 -4.747 4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.053 -6.329 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.961 -5.851 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.832 -4.514 2.374 1.00 0.00 H new ATOM 0 HE ARG A 61 6.462 -7.349 2.611 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.702 -4.192 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.134 -4.635 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.301 -7.911 3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.035 -6.732 4.908 1.00 0.00 H new ATOM 906 N VAL A 62 1.844 -2.045 1.168 1.00 0.00 N ATOM 907 CA VAL A 62 0.631 -1.452 0.617 1.00 0.00 C ATOM 908 C VAL A 62 -0.240 -2.507 -0.056 1.00 0.00 C ATOM 909 O VAL A 62 0.153 -3.104 -1.059 1.00 0.00 O ATOM 910 CB VAL A 62 0.960 -0.346 -0.403 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.880 -0.879 -1.490 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.318 0.220 -1.004 1.00 0.00 C ATOM 0 H VAL A 62 2.659 -1.982 0.557 1.00 0.00 H new ATOM 0 HA VAL A 62 0.085 -1.014 1.453 1.00 0.00 H new ATOM 0 HB VAL A 62 1.479 0.460 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.102 -0.084 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.808 -1.232 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.391 -1.704 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.068 1.000 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.866 -0.576 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.937 0.641 -0.212 1.00 0.00 H new ATOM 922 N LEU A 63 -1.424 -2.732 0.502 1.00 0.00 N ATOM 923 CA LEU A 63 -2.353 -3.715 -0.045 1.00 0.00 C ATOM 924 C LEU A 63 -3.068 -3.164 -1.274 1.00 0.00 C ATOM 925 O LEU A 63 -3.157 -3.833 -2.304 1.00 0.00 O ATOM 926 CB LEU A 63 -3.378 -4.123 1.015 1.00 0.00 C ATOM 927 CG LEU A 63 -2.811 -4.744 2.292 1.00 0.00 C ATOM 928 CD1 LEU A 63 -3.715 -4.445 3.478 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.633 -6.246 2.121 1.00 0.00 C ATOM 0 H LEU A 63 -1.764 -2.247 1.333 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.780 -4.592 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.958 -3.242 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.072 -4.834 0.566 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.834 -4.302 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.295 -4.895 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.792 -3.366 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.706 -4.859 3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.229 -6.671 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.598 -6.704 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.945 -6.439 1.298 1.00 0.00 H new ATOM 941 N ARG A 64 -3.574 -1.941 -1.159 1.00 0.00 N ATOM 942 CA ARG A 64 -4.280 -1.300 -2.262 1.00 0.00 C ATOM 943 C ARG A 64 -3.833 0.150 -2.424 1.00 0.00 C ATOM 944 O ARG A 64 -3.648 0.866 -1.439 1.00 0.00 O ATOM 945 CB ARG A 64 -5.791 -1.356 -2.030 1.00 0.00 C ATOM 946 CG ARG A 64 -6.370 -2.758 -2.127 1.00 0.00 C ATOM 947 CD ARG A 64 -7.884 -2.727 -2.268 1.00 0.00 C ATOM 948 NE ARG A 64 -8.555 -2.747 -0.970 1.00 0.00 N ATOM 949 CZ ARG A 64 -9.801 -2.328 -0.781 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.508 -1.859 -1.799 1.00 0.00 N ATOM 951 NH2 ARG A 64 -10.342 -2.379 0.430 1.00 0.00 N ATOM 0 H ARG A 64 -3.508 -1.374 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.040 -1.841 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.014 -0.947 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.286 -0.716 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.934 -3.274 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.098 -3.328 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.179 -1.831 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.211 -3.583 -2.858 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.038 -3.102 -0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.095 -1.819 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.465 -1.538 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.801 -2.740 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.299 -2.057 0.575 1.00 0.00 H new ATOM 965 N ILE A 65 -3.662 0.576 -3.671 1.00 0.00 N ATOM 966 CA ILE A 65 -3.237 1.940 -3.961 1.00 0.00 C ATOM 967 C ILE A 65 -4.365 2.742 -4.601 1.00 0.00 C ATOM 968 O ILE A 65 -4.947 2.323 -5.601 1.00 0.00 O ATOM 969 CB ILE A 65 -2.012 1.962 -4.894 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.220 3.256 -4.700 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.448 1.813 -6.344 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.064 4.505 -4.818 1.00 0.00 C ATOM 0 H ILE A 65 -3.811 -0.004 -4.497 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.965 2.396 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.366 1.121 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.747 3.239 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.420 3.297 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.571 1.830 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.974 0.867 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.112 2.635 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.436 5.384 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.517 4.546 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.848 4.487 -4.061 1.00 0.00 H new ATOM 984 N ASN A 66 -4.666 3.898 -4.019 1.00 0.00 N ATOM 985 CA ASN A 66 -5.724 4.760 -4.535 1.00 0.00 C ATOM 986 C ASN A 66 -6.939 3.939 -4.954 1.00 0.00 C ATOM 987 O ASN A 66 -7.705 4.346 -5.827 1.00 0.00 O ATOM 988 CB ASN A 66 -5.211 5.577 -5.723 1.00 0.00 C ATOM 989 CG ASN A 66 -6.074 6.791 -6.005 1.00 0.00 C ATOM 990 OD1 ASN A 66 -6.081 7.741 -5.077 1.00 0.00 O flip ATOM 991 ND2 ASN A 66 -6.727 6.874 -7.046 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.193 4.260 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.025 5.440 -3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.189 5.899 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.179 4.944 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.692 6.120 -7.732 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.303 7.697 -7.222 1.00 0.00 H new ATOM 998 N GLY A 67 -7.110 2.780 -4.325 1.00 0.00 N ATOM 999 CA GLY A 67 -8.234 1.920 -4.645 1.00 0.00 C ATOM 1000 C GLY A 67 -7.917 0.944 -5.760 1.00 0.00 C ATOM 1001 O GLY A 67 -8.724 0.744 -6.669 1.00 0.00 O ATOM 0 H GLY A 67 -6.490 2.421 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.529 1.366 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.087 2.534 -4.935 1.00 0.00 H new ATOM 1005 N VAL A 68 -6.738 0.333 -5.693 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.316 -0.628 -6.705 1.00 0.00 C ATOM 1007 C VAL A 68 -5.338 -1.643 -6.124 1.00 0.00 C ATOM 1008 O VAL A 68 -4.228 -1.292 -5.722 1.00 0.00 O ATOM 1009 CB VAL A 68 -5.656 0.075 -7.906 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.178 -0.946 -8.926 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -6.623 1.063 -8.542 1.00 0.00 C ATOM 0 H VAL A 68 -6.058 0.487 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.213 -1.145 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.788 0.629 -7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.715 -0.430 -9.767 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.449 -1.611 -8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.027 -1.530 -9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.140 1.551 -9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.511 0.533 -8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.911 1.814 -7.807 1.00 0.00 H new ATOM 1021 N PHE A 69 -5.757 -2.903 -6.084 1.00 0.00 N ATOM 1022 CA PHE A 69 -4.918 -3.971 -5.552 1.00 0.00 C ATOM 1023 C PHE A 69 -3.573 -4.016 -6.273 1.00 0.00 C ATOM 1024 O PHE A 69 -3.505 -4.310 -7.466 1.00 0.00 O ATOM 1025 CB PHE A 69 -5.627 -5.320 -5.687 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.194 -6.329 -4.661 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -5.636 -6.238 -3.351 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.346 -7.369 -5.008 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -5.239 -7.165 -2.406 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -3.946 -8.299 -4.066 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.394 -8.197 -2.764 1.00 0.00 C ATOM 0 H PHE A 69 -6.672 -3.210 -6.413 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.738 -3.767 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.703 -5.166 -5.603 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.440 -5.722 -6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.298 -5.434 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.994 -7.454 -6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.589 -7.082 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.284 -9.104 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.084 -8.923 -2.027 1.00 0.00 H new ATOM 1041 N VAL A 70 -2.505 -3.723 -5.538 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.162 -3.730 -6.105 1.00 0.00 C ATOM 1043 C VAL A 70 -0.208 -4.556 -5.249 1.00 0.00 C ATOM 1044 O VAL A 70 0.834 -4.067 -4.814 1.00 0.00 O ATOM 1045 CB VAL A 70 -0.603 -2.301 -6.243 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -1.315 -1.555 -7.361 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -0.728 -1.551 -4.926 1.00 0.00 C ATOM 0 H VAL A 70 -2.544 -3.478 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.239 -4.179 -7.095 1.00 0.00 H new ATOM 0 HB VAL A 70 0.455 -2.366 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.907 -0.548 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.168 -2.084 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.381 -1.498 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.328 -0.544 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.778 -1.494 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.168 -2.077 -4.153 1.00 0.00 H new ATOM 1057 N ASP A 71 -0.572 -5.811 -5.012 1.00 0.00 N ATOM 1058 CA ASP A 71 0.252 -6.708 -4.209 1.00 0.00 C ATOM 1059 C ASP A 71 1.413 -7.260 -5.030 1.00 0.00 C ATOM 1060 O ASP A 71 2.568 -7.202 -4.608 1.00 0.00 O ATOM 1061 CB ASP A 71 -0.594 -7.858 -3.661 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.980 -8.856 -4.735 1.00 0.00 C ATOM 1063 OD1 ASP A 71 -1.414 -8.419 -5.821 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -0.849 -10.073 -4.489 1.00 0.00 O ATOM 0 H ASP A 71 -1.432 -6.231 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 71 0.660 -6.138 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.039 -8.371 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.497 -7.455 -3.203 1.00 0.00 H new ATOM 1069 N LYS A 72 1.099 -7.796 -6.204 1.00 0.00 N ATOM 1070 CA LYS A 72 2.115 -8.359 -7.085 1.00 0.00 C ATOM 1071 C LYS A 72 2.199 -7.574 -8.390 1.00 0.00 C ATOM 1072 O LYS A 72 2.701 -8.076 -9.395 1.00 0.00 O ATOM 1073 CB LYS A 72 1.805 -9.828 -7.381 1.00 0.00 C ATOM 1074 CG LYS A 72 2.075 -10.755 -6.208 1.00 0.00 C ATOM 1075 CD LYS A 72 3.527 -11.200 -6.172 1.00 0.00 C ATOM 1076 CE LYS A 72 4.430 -10.112 -5.612 1.00 0.00 C ATOM 1077 NZ LYS A 72 5.660 -10.677 -4.990 1.00 0.00 N ATOM 0 H LYS A 72 0.148 -7.852 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 72 3.078 -8.292 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.758 -9.918 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.401 -10.152 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.826 -10.247 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.427 -11.629 -6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.618 -12.099 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.853 -11.463 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.710 -9.425 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.882 -9.531 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.249 -9.904 -4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.394 -11.313 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.197 -11.210 -5.704 1.00 0.00 H new ATOM 1091 N GLU A 73 1.706 -6.339 -8.365 1.00 0.00 N ATOM 1092 CA GLU A 73 1.728 -5.485 -9.547 1.00 0.00 C ATOM 1093 C GLU A 73 3.124 -4.916 -9.782 1.00 0.00 C ATOM 1094 O GLU A 73 3.914 -4.779 -8.849 1.00 0.00 O ATOM 1095 CB GLU A 73 0.719 -4.345 -9.398 1.00 0.00 C ATOM 1096 CG GLU A 73 -0.712 -4.753 -9.708 1.00 0.00 C ATOM 1097 CD GLU A 73 -0.921 -5.078 -11.174 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.257 -4.155 -11.944 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -0.749 -6.256 -11.551 1.00 0.00 O ATOM 0 H GLU A 73 1.287 -5.908 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 73 1.453 -6.094 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.766 -3.961 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.006 -3.528 -10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.977 -5.622 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.386 -3.947 -9.419 1.00 0.00 H new ATOM 1106 N GLU A 74 3.419 -4.588 -11.036 1.00 0.00 N ATOM 1107 CA GLU A 74 4.720 -4.035 -11.394 1.00 0.00 C ATOM 1108 C GLU A 74 4.888 -2.628 -10.827 1.00 0.00 C ATOM 1109 O GLU A 74 3.923 -1.871 -10.717 1.00 0.00 O ATOM 1110 CB GLU A 74 4.887 -4.007 -12.915 1.00 0.00 C ATOM 1111 CG GLU A 74 6.324 -3.809 -13.366 1.00 0.00 C ATOM 1112 CD GLU A 74 6.493 -3.975 -14.864 1.00 0.00 C ATOM 1113 OE1 GLU A 74 5.988 -3.116 -15.617 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.129 -4.964 -15.284 1.00 0.00 O ATOM 0 H GLU A 74 2.776 -4.695 -11.820 1.00 0.00 H new ATOM 0 HA GLU A 74 5.489 -4.676 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.510 -4.942 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.273 -3.205 -13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.659 -2.813 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.965 -4.524 -12.850 1.00 0.00 H new ATOM 1121 N HIS A 75 6.121 -2.285 -10.468 1.00 0.00 N ATOM 1122 CA HIS A 75 6.417 -0.969 -9.912 1.00 0.00 C ATOM 1123 C HIS A 75 5.824 0.134 -10.783 1.00 0.00 C ATOM 1124 O HIS A 75 5.315 1.133 -10.275 1.00 0.00 O ATOM 1125 CB HIS A 75 7.928 -0.775 -9.781 1.00 0.00 C ATOM 1126 CG HIS A 75 8.333 0.651 -9.567 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.661 1.504 -8.718 1.00 0.00 N ATOM 1128 CD2 HIS A 75 9.348 1.372 -10.097 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.245 2.689 -8.735 1.00 0.00 C ATOM 1130 NE2 HIS A 75 9.272 2.636 -9.564 1.00 0.00 N ATOM 0 H HIS A 75 6.931 -2.899 -10.552 1.00 0.00 H new ATOM 0 HA HIS A 75 5.964 -0.910 -8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.292 -1.376 -8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.414 -1.151 -10.682 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.081 1.019 -10.807 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.935 3.554 -8.167 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.905 3.408 -9.774 1.00 0.00 H new ATOM 1139 N ALA A 76 5.894 -0.053 -12.096 1.00 0.00 N ATOM 1140 CA ALA A 76 5.363 0.926 -13.037 1.00 0.00 C ATOM 1141 C ALA A 76 3.845 1.021 -12.932 1.00 0.00 C ATOM 1142 O ALA A 76 3.269 2.096 -13.099 1.00 0.00 O ATOM 1143 CB ALA A 76 5.775 0.569 -14.458 1.00 0.00 C ATOM 0 H ALA A 76 6.313 -0.874 -12.533 1.00 0.00 H new ATOM 0 HA ALA A 76 5.780 1.901 -12.784 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.372 1.308 -15.150 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.863 0.560 -14.530 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.386 -0.417 -14.713 1.00 0.00 H new ATOM 1149 N GLN A 77 3.204 -0.110 -12.655 1.00 0.00 N ATOM 1150 CA GLN A 77 1.752 -0.153 -12.529 1.00 0.00 C ATOM 1151 C GLN A 77 1.288 0.628 -11.304 1.00 0.00 C ATOM 1152 O GLN A 77 0.271 1.320 -11.344 1.00 0.00 O ATOM 1153 CB GLN A 77 1.269 -1.601 -12.438 1.00 0.00 C ATOM 1154 CG GLN A 77 1.113 -2.277 -13.791 1.00 0.00 C ATOM 1155 CD GLN A 77 0.174 -1.525 -14.714 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.562 -1.099 -15.801 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -1.072 -1.360 -14.283 1.00 0.00 N ATOM 0 H GLN A 77 3.667 -1.008 -12.514 1.00 0.00 H new ATOM 0 HA GLN A 77 1.322 0.311 -13.417 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.974 -2.173 -11.835 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.312 -1.624 -11.917 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.091 -2.363 -14.265 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.739 -3.291 -13.646 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.351 -1.730 -13.374 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.750 -0.863 -14.861 1.00 0.00 H new ATOM 1166 N VAL A 78 2.041 0.511 -10.214 1.00 0.00 N ATOM 1167 CA VAL A 78 1.708 1.207 -8.977 1.00 0.00 C ATOM 1168 C VAL A 78 1.925 2.709 -9.115 1.00 0.00 C ATOM 1169 O VAL A 78 0.984 3.496 -9.015 1.00 0.00 O ATOM 1170 CB VAL A 78 2.547 0.684 -7.796 1.00 0.00 C ATOM 1171 CG1 VAL A 78 2.107 1.340 -6.496 1.00 0.00 C ATOM 1172 CG2 VAL A 78 2.445 -0.831 -7.699 1.00 0.00 C ATOM 0 H VAL A 78 2.885 -0.059 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 78 0.654 1.013 -8.779 1.00 0.00 H new ATOM 0 HB VAL A 78 3.591 0.945 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.711 0.958 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.237 2.420 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.057 1.113 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.044 -1.183 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.404 -1.117 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.814 -1.280 -8.621 1.00 0.00 H new ATOM 1182 N VAL A 79 3.174 3.102 -9.345 1.00 0.00 N ATOM 1183 CA VAL A 79 3.516 4.511 -9.499 1.00 0.00 C ATOM 1184 C VAL A 79 2.497 5.232 -10.374 1.00 0.00 C ATOM 1185 O VAL A 79 1.994 6.295 -10.010 1.00 0.00 O ATOM 1186 CB VAL A 79 4.918 4.684 -10.114 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.927 4.219 -11.562 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.370 6.133 -10.008 1.00 0.00 C ATOM 0 H VAL A 79 3.966 2.464 -9.429 1.00 0.00 H new ATOM 0 HA VAL A 79 3.508 4.949 -8.501 1.00 0.00 H new ATOM 0 HB VAL A 79 5.620 4.066 -9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.925 4.349 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.649 3.166 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.213 4.808 -12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.362 6.238 -10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.668 6.773 -10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.405 6.428 -8.959 1.00 0.00 H new ATOM 1198 N GLU A 80 2.196 4.646 -11.528 1.00 0.00 N ATOM 1199 CA GLU A 80 1.236 5.233 -12.455 1.00 0.00 C ATOM 1200 C GLU A 80 -0.058 5.605 -11.735 1.00 0.00 C ATOM 1201 O GLU A 80 -0.489 6.758 -11.764 1.00 0.00 O ATOM 1202 CB GLU A 80 0.935 4.261 -13.598 1.00 0.00 C ATOM 1203 CG GLU A 80 0.100 4.870 -14.711 1.00 0.00 C ATOM 1204 CD GLU A 80 0.379 4.239 -16.062 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.459 2.995 -16.131 1.00 0.00 O ATOM 1206 OE2 GLU A 80 0.517 4.991 -17.049 1.00 0.00 O ATOM 0 H GLU A 80 2.603 3.765 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 80 1.677 6.141 -12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.876 3.902 -14.016 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.413 3.392 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.957 4.755 -14.472 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.300 5.940 -14.766 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.673 4.619 -11.091 1.00 0.00 N ATOM 1214 CA LEU A 81 -1.918 4.840 -10.364 1.00 0.00 C ATOM 1215 C LEU A 81 -1.769 5.982 -9.363 1.00 0.00 C ATOM 1216 O LEU A 81 -2.655 6.827 -9.232 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.341 3.563 -9.637 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.618 2.347 -10.523 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.694 1.081 -9.683 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -3.903 2.544 -11.313 1.00 0.00 C ATOM 0 H LEU A 81 -0.330 3.659 -11.058 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.688 5.112 -11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.559 3.298 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.239 3.778 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.795 2.241 -11.229 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.892 0.226 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.747 0.932 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.497 1.177 -8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.084 1.669 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.737 2.677 -10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.810 3.428 -11.944 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.640 6.003 -8.661 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.373 7.043 -7.675 1.00 0.00 C ATOM 1234 C VAL A 82 -0.380 8.425 -8.318 1.00 0.00 C ATOM 1235 O VAL A 82 -0.854 9.394 -7.724 1.00 0.00 O ATOM 1236 CB VAL A 82 0.983 6.820 -6.978 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.225 7.891 -5.925 1.00 0.00 C ATOM 1238 CG2 VAL A 82 1.042 5.431 -6.360 1.00 0.00 C ATOM 0 H VAL A 82 0.104 5.312 -8.757 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.169 6.987 -6.932 1.00 0.00 H new ATOM 0 HB VAL A 82 1.773 6.894 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.187 7.717 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.228 8.873 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.433 7.852 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.006 5.291 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.244 5.326 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.917 4.680 -7.140 1.00 0.00 H new ATOM 1248 N ARG A 83 0.148 8.508 -9.535 1.00 0.00 N ATOM 1249 CA ARG A 83 0.203 9.773 -10.259 1.00 0.00 C ATOM 1250 C ARG A 83 -1.187 10.190 -10.729 1.00 0.00 C ATOM 1251 O ARG A 83 -1.569 11.355 -10.617 1.00 0.00 O ATOM 1252 CB ARG A 83 1.146 9.657 -11.458 1.00 0.00 C ATOM 1253 CG ARG A 83 0.966 10.765 -12.483 1.00 0.00 C ATOM 1254 CD ARG A 83 2.268 11.073 -13.205 1.00 0.00 C ATOM 1255 NE ARG A 83 3.144 11.931 -12.412 1.00 0.00 N ATOM 1256 CZ ARG A 83 4.155 12.623 -12.926 1.00 0.00 C ATOM 1257 NH1 ARG A 83 4.416 12.559 -14.224 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.907 13.382 -12.139 1.00 0.00 N ATOM 0 H ARG A 83 0.544 7.715 -10.040 1.00 0.00 H new ATOM 0 HA ARG A 83 0.582 10.537 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.176 9.667 -11.102 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.986 8.694 -11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.207 10.471 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.602 11.665 -11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.784 10.141 -13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.049 11.559 -14.156 1.00 0.00 H new ATOM 0 HE ARG A 83 2.970 12.003 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.840 11.977 -14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.193 13.092 -14.615 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.709 13.434 -11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.683 13.913 -12.533 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.940 9.232 -11.258 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.288 9.498 -11.746 1.00 0.00 C ATOM 1274 C LYS A 84 -4.195 9.966 -10.612 1.00 0.00 C ATOM 1275 O LYS A 84 -4.998 10.882 -10.785 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.874 8.243 -12.397 1.00 0.00 C ATOM 1277 CG LYS A 84 -3.278 7.929 -13.758 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.073 6.855 -14.481 1.00 0.00 C ATOM 1279 CE LYS A 84 -3.458 6.518 -15.830 1.00 0.00 C ATOM 1280 NZ LYS A 84 -4.485 6.078 -16.815 1.00 0.00 N ATOM 0 H LYS A 84 -1.639 8.263 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.228 10.292 -12.491 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.714 7.392 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.952 8.368 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.254 8.835 -14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.246 7.600 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.116 5.957 -13.865 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.099 7.194 -14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.934 7.391 -16.218 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.715 5.730 -15.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.025 5.858 -17.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.968 5.230 -16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.180 6.839 -16.955 1.00 0.00 H new ATOM 1294 N SER A 85 -4.059 9.331 -9.452 1.00 0.00 N ATOM 1295 CA SER A 85 -4.868 9.681 -8.290 1.00 0.00 C ATOM 1296 C SER A 85 -5.117 11.186 -8.235 1.00 0.00 C ATOM 1297 O SER A 85 -6.259 11.635 -8.160 1.00 0.00 O ATOM 1298 CB SER A 85 -4.179 9.220 -7.005 1.00 0.00 C ATOM 1299 OG SER A 85 -3.925 7.826 -7.035 1.00 0.00 O ATOM 0 H SER A 85 -3.397 8.572 -9.292 1.00 0.00 H new ATOM 0 HA SER A 85 -5.829 9.174 -8.381 1.00 0.00 H new ATOM 0 HB2 SER A 85 -3.241 9.761 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.806 9.460 -6.146 1.00 0.00 H new ATOM 0 HG SER A 85 -3.333 7.617 -7.788 1.00 0.00 H new ATOM 1305 N GLY A 86 -4.036 11.960 -8.272 1.00 0.00 N ATOM 1306 CA GLY A 86 -4.157 13.405 -8.225 1.00 0.00 C ATOM 1307 C GLY A 86 -3.450 14.008 -7.028 1.00 0.00 C ATOM 1308 O GLY A 86 -2.262 13.769 -6.816 1.00 0.00 O ATOM 0 H GLY A 86 -3.079 11.612 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.744 13.831 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.212 13.677 -8.195 1.00 0.00 H new ATOM 1312 N ASN A 87 -4.181 14.793 -6.244 1.00 0.00 N ATOM 1313 CA ASN A 87 -3.616 15.434 -5.062 1.00 0.00 C ATOM 1314 C ASN A 87 -3.733 14.526 -3.842 1.00 0.00 C ATOM 1315 O ASN A 87 -2.752 14.282 -3.140 1.00 0.00 O ATOM 1316 CB ASN A 87 -4.320 16.765 -4.791 1.00 0.00 C ATOM 1317 CG ASN A 87 -4.361 17.657 -6.017 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -5.430 17.937 -6.560 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -3.193 18.109 -6.458 1.00 0.00 N ATOM 0 H ASN A 87 -5.166 15.001 -6.406 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.559 15.622 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.338 16.572 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.807 17.286 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.157 18.714 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.332 17.851 -5.976 1.00 0.00 H new ATOM 1326 N SER A 88 -4.941 14.027 -3.597 1.00 0.00 N ATOM 1327 CA SER A 88 -5.188 13.148 -2.460 1.00 0.00 C ATOM 1328 C SER A 88 -5.140 11.683 -2.885 1.00 0.00 C ATOM 1329 O SER A 88 -5.765 11.290 -3.870 1.00 0.00 O ATOM 1330 CB SER A 88 -6.546 13.464 -1.830 1.00 0.00 C ATOM 1331 OG SER A 88 -7.601 13.226 -2.746 1.00 0.00 O ATOM 0 H SER A 88 -5.763 14.216 -4.170 1.00 0.00 H new ATOM 0 HA SER A 88 -4.404 13.320 -1.722 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.688 12.852 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.568 14.505 -1.508 1.00 0.00 H new ATOM 0 HG SER A 88 -7.292 12.618 -3.450 1.00 0.00 H new ATOM 1337 N VAL A 89 -4.392 10.880 -2.134 1.00 0.00 N ATOM 1338 CA VAL A 89 -4.262 9.459 -2.431 1.00 0.00 C ATOM 1339 C VAL A 89 -4.485 8.614 -1.182 1.00 0.00 C ATOM 1340 O VAL A 89 -4.142 9.023 -0.072 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.876 9.133 -3.018 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.780 7.657 -3.373 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.595 10.001 -4.234 1.00 0.00 C ATOM 0 H VAL A 89 -3.867 11.190 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.027 9.219 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.121 9.350 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.794 7.446 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.934 7.056 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.543 7.410 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.612 9.757 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.353 9.818 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.618 11.052 -3.944 1.00 0.00 H new ATOM 1353 N THR A 90 -5.061 7.431 -1.369 1.00 0.00 N ATOM 1354 CA THR A 90 -5.330 6.527 -0.257 1.00 0.00 C ATOM 1355 C THR A 90 -4.449 5.286 -0.332 1.00 0.00 C ATOM 1356 O THR A 90 -4.390 4.615 -1.364 1.00 0.00 O ATOM 1357 CB THR A 90 -6.808 6.093 -0.232 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.657 7.246 -0.201 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.093 5.215 0.978 1.00 0.00 C ATOM 0 H THR A 90 -5.350 7.076 -2.280 1.00 0.00 H new ATOM 0 HA THR A 90 -5.104 7.075 0.658 1.00 0.00 H new ATOM 0 HB THR A 90 -7.010 5.518 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.595 6.962 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.142 4.921 0.975 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.466 4.324 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.875 5.770 1.890 1.00 0.00 H new ATOM 1367 N LEU A 91 -3.766 4.984 0.766 1.00 0.00 N ATOM 1368 CA LEU A 91 -2.887 3.821 0.826 1.00 0.00 C ATOM 1369 C LEU A 91 -3.199 2.965 2.049 1.00 0.00 C ATOM 1370 O LEU A 91 -3.221 3.459 3.177 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.424 4.264 0.859 1.00 0.00 C ATOM 1372 CG LEU A 91 -0.985 5.216 -0.254 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.241 6.008 0.172 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -0.706 4.445 -1.536 1.00 0.00 C ATOM 0 H LEU A 91 -3.804 5.528 1.628 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.058 3.221 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.233 4.746 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.795 3.375 0.818 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.796 5.918 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.538 6.680 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.006 6.591 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.059 5.322 0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.395 5.138 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.087 3.719 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.610 3.925 -1.852 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.437 1.678 1.819 1.00 0.00 N ATOM 1387 CA LEU A 92 -3.745 0.751 2.903 1.00 0.00 C ATOM 1388 C LEU A 92 -2.524 -0.088 3.265 1.00 0.00 C ATOM 1389 O LEU A 92 -2.111 -0.963 2.505 1.00 0.00 O ATOM 1390 CB LEU A 92 -4.906 -0.162 2.505 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.303 0.452 2.594 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.321 -0.434 1.892 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -6.698 0.671 4.047 1.00 0.00 C ATOM 0 H LEU A 92 -3.423 1.253 0.892 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.033 1.335 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.743 -0.498 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.879 -1.048 3.139 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.286 1.420 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.310 0.019 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.048 -0.541 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.336 -1.416 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -7.695 1.109 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.697 -0.284 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.985 1.346 4.520 1.00 0.00 H new ATOM 1405 N VAL A 93 -1.951 0.184 4.434 1.00 0.00 N ATOM 1406 CA VAL A 93 -0.779 -0.548 4.899 1.00 0.00 C ATOM 1407 C VAL A 93 -1.132 -1.469 6.061 1.00 0.00 C ATOM 1408 O VAL A 93 -1.743 -1.043 7.043 1.00 0.00 O ATOM 1409 CB VAL A 93 0.343 0.411 5.341 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.677 1.391 4.227 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.058 1.149 6.610 1.00 0.00 C ATOM 0 H VAL A 93 -2.280 0.906 5.076 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.426 -1.146 4.059 1.00 0.00 H new ATOM 0 HB VAL A 93 1.236 -0.176 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.471 2.060 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.009 0.841 3.346 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.209 1.975 3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.746 1.822 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.964 1.725 6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.243 0.429 7.407 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.745 -2.734 5.945 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.020 -3.718 6.986 1.00 0.00 C ATOM 1423 C LEU A 94 0.220 -3.969 7.839 1.00 0.00 C ATOM 1424 O LEU A 94 1.336 -3.631 7.445 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.498 -5.030 6.363 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.230 -5.991 7.300 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.474 -5.333 7.876 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.594 -7.275 6.569 1.00 0.00 C ATOM 0 H LEU A 94 -0.239 -3.103 5.140 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.806 -3.321 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.159 -4.793 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.633 -5.548 5.947 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.563 -6.242 8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.981 -6.033 8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.188 -4.443 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.145 -5.051 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.114 -7.947 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.243 -7.042 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.686 -7.757 6.207 1.00 0.00 H new ATOM 1440 N ASP A 95 0.016 -4.566 9.008 1.00 0.00 N ATOM 1441 CA ASP A 95 1.117 -4.867 9.916 1.00 0.00 C ATOM 1442 C ASP A 95 1.984 -5.994 9.364 1.00 0.00 C ATOM 1443 O ASP A 95 1.501 -6.868 8.646 1.00 0.00 O ATOM 1444 CB ASP A 95 0.579 -5.249 11.295 1.00 0.00 C ATOM 1445 CG ASP A 95 1.631 -5.913 12.163 1.00 0.00 C ATOM 1446 OD1 ASP A 95 2.562 -5.210 12.608 1.00 0.00 O ATOM 1447 OD2 ASP A 95 1.523 -7.135 12.396 1.00 0.00 O ATOM 0 H ASP A 95 -0.902 -4.851 9.349 1.00 0.00 H new ATOM 0 HA ASP A 95 1.733 -3.972 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.208 -4.356 11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.269 -5.923 11.177 1.00 0.00 H new ATOM 1452 N GLY A 96 3.270 -5.965 9.703 1.00 0.00 N ATOM 1453 CA GLY A 96 4.184 -6.989 9.232 1.00 0.00 C ATOM 1454 C GLY A 96 3.696 -8.390 9.543 1.00 0.00 C ATOM 1455 O GLY A 96 3.394 -9.165 8.636 1.00 0.00 O ATOM 0 H GLY A 96 3.694 -5.251 10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.318 -6.885 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.161 -6.838 9.690 1.00 0.00 H new ATOM 1459 N ASP A 97 3.621 -8.716 10.829 1.00 0.00 N ATOM 1460 CA ASP A 97 3.167 -10.034 11.258 1.00 0.00 C ATOM 1461 C ASP A 97 1.835 -10.389 10.605 1.00 0.00 C ATOM 1462 O ASP A 97 1.665 -11.489 10.078 1.00 0.00 O ATOM 1463 CB ASP A 97 3.031 -10.079 12.781 1.00 0.00 C ATOM 1464 CG ASP A 97 2.972 -11.497 13.315 1.00 0.00 C ATOM 1465 OD1 ASP A 97 3.465 -12.413 12.623 1.00 0.00 O ATOM 1466 OD2 ASP A 97 2.434 -11.690 14.425 1.00 0.00 O ATOM 0 H ASP A 97 3.869 -8.086 11.592 1.00 0.00 H new ATOM 0 HA ASP A 97 3.911 -10.767 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.875 -9.558 13.234 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.129 -9.544 13.078 1.00 0.00 H new ATOM 1471 N SER A 98 0.894 -9.452 10.644 1.00 0.00 N ATOM 1472 CA SER A 98 -0.425 -9.668 10.060 1.00 0.00 C ATOM 1473 C SER A 98 -0.309 -10.094 8.600 1.00 0.00 C ATOM 1474 O SER A 98 -0.955 -11.049 8.167 1.00 0.00 O ATOM 1475 CB SER A 98 -1.268 -8.396 10.167 1.00 0.00 C ATOM 1476 OG SER A 98 -1.753 -8.215 11.486 1.00 0.00 O ATOM 0 H SER A 98 1.020 -8.536 11.074 1.00 0.00 H new ATOM 0 HA SER A 98 -0.915 -10.467 10.616 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.669 -7.533 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.106 -8.452 9.472 1.00 0.00 H new ATOM 0 HG SER A 98 -2.287 -7.395 11.528 1.00 0.00 H new ATOM 1482 N TYR A 99 0.518 -9.379 7.845 1.00 0.00 N ATOM 1483 CA TYR A 99 0.717 -9.680 6.433 1.00 0.00 C ATOM 1484 C TYR A 99 1.210 -11.112 6.245 1.00 0.00 C ATOM 1485 O TYR A 99 0.668 -11.865 5.437 1.00 0.00 O ATOM 1486 CB TYR A 99 1.717 -8.700 5.817 1.00 0.00 C ATOM 1487 CG TYR A 99 1.783 -8.770 4.308 1.00 0.00 C ATOM 1488 CD1 TYR A 99 0.940 -7.996 3.519 1.00 0.00 C ATOM 1489 CD2 TYR A 99 2.687 -9.611 3.671 1.00 0.00 C ATOM 1490 CE1 TYR A 99 0.997 -8.058 2.140 1.00 0.00 C ATOM 1491 CE2 TYR A 99 2.752 -9.678 2.293 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.904 -8.900 1.532 1.00 0.00 C ATOM 1493 OH TYR A 99 1.964 -8.964 0.159 1.00 0.00 O ATOM 0 H TYR A 99 1.061 -8.587 8.188 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.243 -9.576 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.449 -7.686 6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.708 -8.900 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.229 -7.335 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.351 -10.223 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.335 -7.450 1.541 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.462 -10.335 1.814 1.00 0.00 H new ATOM 0 HH TYR A 99 2.656 -9.604 -0.109 1.00 0.00 H new ATOM 1503 N GLU A 100 2.242 -11.479 6.998 1.00 0.00 N ATOM 1504 CA GLU A 100 2.809 -12.820 6.915 1.00 0.00 C ATOM 1505 C GLU A 100 1.741 -13.879 7.173 1.00 0.00 C ATOM 1506 O GLU A 100 1.542 -14.786 6.365 1.00 0.00 O ATOM 1507 CB GLU A 100 3.952 -12.977 7.920 1.00 0.00 C ATOM 1508 CG GLU A 100 5.052 -11.941 7.758 1.00 0.00 C ATOM 1509 CD GLU A 100 5.898 -11.788 9.007 1.00 0.00 C ATOM 1510 OE1 GLU A 100 6.127 -12.804 9.697 1.00 0.00 O ATOM 1511 OE2 GLU A 100 6.330 -10.653 9.295 1.00 0.00 O ATOM 0 H GLU A 100 2.702 -10.867 7.672 1.00 0.00 H new ATOM 0 HA GLU A 100 3.199 -12.960 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.548 -12.911 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.384 -13.972 7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.692 -12.224 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 100 4.606 -10.979 7.506 1.00 0.00 H new ATOM 1518 N LYS A 101 1.056 -13.756 8.305 1.00 0.00 N ATOM 1519 CA LYS A 101 0.008 -14.701 8.672 1.00 0.00 C ATOM 1520 C LYS A 101 -1.001 -14.861 7.539 1.00 0.00 C ATOM 1521 O LYS A 101 -1.638 -15.905 7.406 1.00 0.00 O ATOM 1522 CB LYS A 101 -0.707 -14.234 9.942 1.00 0.00 C ATOM 1523 CG LYS A 101 -1.780 -15.194 10.424 1.00 0.00 C ATOM 1524 CD LYS A 101 -2.495 -14.659 11.654 1.00 0.00 C ATOM 1525 CE LYS A 101 -1.679 -14.887 12.917 1.00 0.00 C ATOM 1526 NZ LYS A 101 -2.160 -14.046 14.047 1.00 0.00 N ATOM 0 H LYS A 101 1.208 -13.011 8.984 1.00 0.00 H new ATOM 0 HA LYS A 101 0.475 -15.668 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.029 -14.098 10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.160 -13.260 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.503 -15.363 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.329 -16.159 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.686 -13.593 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.465 -15.147 11.753 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.732 -15.939 13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.631 -14.663 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.578 -14.230 14.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.086 -13.041 13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.152 -14.278 14.254 1.00 0.00 H new ATOM 1540 N ALA A 102 -1.138 -13.821 6.723 1.00 0.00 N ATOM 1541 CA ALA A 102 -2.066 -13.848 5.600 1.00 0.00 C ATOM 1542 C ALA A 102 -1.469 -14.597 4.413 1.00 0.00 C ATOM 1543 O ALA A 102 -1.942 -15.671 4.042 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.447 -12.431 5.195 1.00 0.00 C ATOM 0 H ALA A 102 -0.618 -12.949 6.819 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.965 -14.378 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.141 -12.467 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.922 -11.927 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.551 -11.883 4.903 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.427 -14.022 3.820 1.00 0.00 N ATOM 1551 CA VAL A 103 0.235 -14.636 2.675 1.00 0.00 C ATOM 1552 C VAL A 103 0.420 -16.134 2.885 1.00 0.00 C ATOM 1553 O VAL A 103 0.342 -16.920 1.940 1.00 0.00 O ATOM 1554 CB VAL A 103 1.609 -13.992 2.410 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.442 -13.970 3.682 1.00 0.00 C ATOM 1556 CG2 VAL A 103 2.337 -14.732 1.298 1.00 0.00 C ATOM 0 H VAL A 103 -0.023 -13.132 4.114 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.409 -14.471 1.811 1.00 0.00 H new ATOM 0 HB VAL A 103 1.453 -12.962 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.409 -13.512 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.923 -13.393 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.592 -14.990 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.306 -14.264 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.483 -15.772 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.744 -14.690 0.384 1.00 0.00 H new ATOM 1566 N LYS A 104 0.664 -16.526 4.131 1.00 0.00 N ATOM 1567 CA LYS A 104 0.859 -17.931 4.468 1.00 0.00 C ATOM 1568 C LYS A 104 -0.476 -18.666 4.527 1.00 0.00 C ATOM 1569 O LYS A 104 -0.608 -19.775 4.011 1.00 0.00 O ATOM 1570 CB LYS A 104 1.584 -18.059 5.809 1.00 0.00 C ATOM 1571 CG LYS A 104 3.096 -18.132 5.679 1.00 0.00 C ATOM 1572 CD LYS A 104 3.670 -16.843 5.118 1.00 0.00 C ATOM 1573 CE LYS A 104 5.179 -16.779 5.299 1.00 0.00 C ATOM 1574 NZ LYS A 104 5.898 -17.535 4.237 1.00 0.00 N ATOM 0 H LYS A 104 0.731 -15.889 4.925 1.00 0.00 H new ATOM 0 HA LYS A 104 1.470 -18.385 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 104 1.322 -17.207 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.228 -18.953 6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.537 -18.333 6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.366 -18.965 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.426 -16.766 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.207 -15.991 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.502 -15.738 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.445 -17.183 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.923 -17.467 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.609 -18.534 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.665 -17.133 3.306 1.00 0.00 H new ATOM 1588 N ASN A 105 -1.464 -18.040 5.159 1.00 0.00 N ATOM 1589 CA ASN A 105 -2.789 -18.635 5.285 1.00 0.00 C ATOM 1590 C ASN A 105 -3.691 -18.203 4.133 1.00 0.00 C ATOM 1591 O ASN A 105 -4.915 -18.291 4.224 1.00 0.00 O ATOM 1592 CB ASN A 105 -3.424 -18.239 6.620 1.00 0.00 C ATOM 1593 CG ASN A 105 -2.673 -18.807 7.809 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -2.376 -17.955 8.783 1.00 0.00 O flip ATOM 1595 ND2 ASN A 105 -2.364 -19.998 7.850 1.00 0.00 N flip ATOM 0 H ASN A 105 -1.372 -17.121 5.592 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.678 -19.719 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.453 -17.152 6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.456 -18.588 6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -2.613 -20.616 7.078 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.859 -20.366 8.656 1.00 0.00 H new ATOM 1602 N GLN A 106 -3.076 -17.738 3.050 1.00 0.00 N ATOM 1603 CA GLN A 106 -3.824 -17.293 1.880 1.00 0.00 C ATOM 1604 C GLN A 106 -5.140 -16.642 2.290 1.00 0.00 C ATOM 1605 O GLN A 106 -6.172 -16.846 1.650 1.00 0.00 O ATOM 1606 CB GLN A 106 -4.094 -18.472 0.943 1.00 0.00 C ATOM 1607 CG GLN A 106 -2.833 -19.092 0.364 1.00 0.00 C ATOM 1608 CD GLN A 106 -2.299 -18.323 -0.829 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.676 -17.174 -1.060 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -1.417 -18.955 -1.594 1.00 0.00 N ATOM 0 H GLN A 106 -2.063 -17.660 2.959 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.222 -16.551 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.648 -19.237 1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.732 -18.136 0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.066 -19.135 1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.042 -20.119 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.133 -19.907 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.023 -18.488 -2.411 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.097 -15.856 3.362 1.00 0.00 N ATOM 1620 CA VAL A 107 -6.286 -15.174 3.857 1.00 0.00 C ATOM 1621 C VAL A 107 -6.686 -14.027 2.935 1.00 0.00 C ATOM 1622 O VAL A 107 -5.895 -13.121 2.675 1.00 0.00 O ATOM 1623 CB VAL A 107 -6.066 -14.622 5.278 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -7.265 -13.799 5.724 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -5.795 -15.757 6.254 1.00 0.00 C ATOM 0 H VAL A 107 -4.251 -15.676 3.904 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.087 -15.913 3.882 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.193 -13.969 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -7.091 -13.418 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -7.408 -12.963 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -8.157 -14.425 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.642 -15.349 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -6.647 -16.437 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.902 -16.299 5.943 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.920 -14.073 2.444 1.00 0.00 N ATOM 1636 CA ASP A 108 -8.427 -13.037 1.552 1.00 0.00 C ATOM 1637 C ASP A 108 -7.867 -11.670 1.933 1.00 0.00 C ATOM 1638 O ASP A 108 -8.008 -11.225 3.072 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.955 -13.005 1.590 1.00 0.00 C ATOM 1640 CG ASP A 108 -10.575 -14.284 1.064 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -10.443 -14.553 -0.149 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -11.191 -15.018 1.865 1.00 0.00 O ATOM 0 H ASP A 108 -8.587 -14.817 2.649 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.102 -13.273 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -10.286 -12.839 2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -10.312 -12.162 0.999 1.00 0.00 H new ATOM 1647 N LEU A 109 -7.230 -11.009 0.972 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.647 -9.693 1.207 1.00 0.00 C ATOM 1649 C LEU A 109 -7.504 -8.598 0.579 1.00 0.00 C ATOM 1650 O LEU A 109 -7.641 -7.507 1.132 1.00 0.00 O ATOM 1651 CB LEU A 109 -5.228 -9.633 0.640 1.00 0.00 C ATOM 1652 CG LEU A 109 -4.197 -10.537 1.316 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.916 -10.592 0.497 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.908 -10.053 2.729 1.00 0.00 C ATOM 0 H LEU A 109 -7.104 -11.363 0.024 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.609 -9.527 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.270 -9.891 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.876 -8.603 0.703 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.609 -11.544 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.194 -11.240 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.135 -10.986 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.500 -9.589 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.172 -10.708 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.517 -9.036 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.828 -10.067 3.314 1.00 0.00 H new ATOM 1666 N LYS A 110 -8.082 -8.898 -0.580 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.929 -7.941 -1.283 1.00 0.00 C ATOM 1668 C LYS A 110 -9.986 -7.361 -0.348 1.00 0.00 C ATOM 1669 O LYS A 110 -10.361 -6.196 -0.470 1.00 0.00 O ATOM 1670 CB LYS A 110 -9.605 -8.612 -2.481 1.00 0.00 C ATOM 1671 CG LYS A 110 -8.734 -8.657 -3.724 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.880 -7.393 -4.554 1.00 0.00 C ATOM 1673 CE LYS A 110 -8.303 -7.572 -5.950 1.00 0.00 C ATOM 1674 NZ LYS A 110 -9.242 -8.299 -6.849 1.00 0.00 N ATOM 0 H LYS A 110 -7.979 -9.796 -1.052 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.298 -7.127 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.885 -9.629 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.527 -8.079 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -7.691 -8.784 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.005 -9.523 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.934 -7.124 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.374 -6.567 -4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.075 -6.595 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.363 -8.120 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.812 -8.401 -7.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.440 -9.241 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.130 -7.764 -6.930 1.00 0.00 H new ATOM 1688 N GLU A 111 -10.460 -8.182 0.584 1.00 0.00 N ATOM 1689 CA GLU A 111 -11.473 -7.748 1.539 1.00 0.00 C ATOM 1690 C GLU A 111 -10.922 -6.665 2.462 1.00 0.00 C ATOM 1691 O GLU A 111 -11.620 -5.707 2.798 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.967 -8.936 2.367 1.00 0.00 C ATOM 1693 CG GLU A 111 -10.875 -9.605 3.184 1.00 0.00 C ATOM 1694 CD GLU A 111 -11.419 -10.637 4.152 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -12.458 -11.254 3.838 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -10.807 -10.827 5.224 1.00 0.00 O ATOM 0 H GLU A 111 -10.159 -9.150 0.698 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.310 -7.332 0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.755 -8.597 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.413 -9.673 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.164 -10.084 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.325 -8.845 3.740 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.668 -6.824 2.868 1.00 0.00 N ATOM 1704 CA LEU A 112 -9.022 -5.860 3.752 1.00 0.00 C ATOM 1705 C LEU A 112 -9.463 -4.438 3.423 1.00 0.00 C ATOM 1706 O LEU A 112 -8.996 -3.842 2.452 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.501 -5.974 3.639 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.906 -7.351 3.937 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.451 -7.410 3.499 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.034 -7.678 5.418 1.00 0.00 C ATOM 0 H LEU A 112 -9.078 -7.611 2.599 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.322 -6.085 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.209 -5.685 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.051 -5.251 4.320 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.464 -8.097 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.045 -8.397 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.386 -7.221 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.878 -6.654 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.606 -8.661 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.502 -6.928 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.087 -7.679 5.701 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.363 -3.899 4.238 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.865 -2.545 4.036 1.00 0.00 C ATOM 1724 C ASP A 113 -11.352 -1.944 5.350 1.00 0.00 C ATOM 1725 O ASP A 113 -12.380 -2.355 5.888 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.999 -2.547 3.010 1.00 0.00 C ATOM 1727 CG ASP A 113 -12.374 -1.149 2.558 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -11.518 -0.245 2.657 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -13.523 -0.959 2.108 1.00 0.00 O ATOM 0 H ASP A 113 -10.760 -4.379 5.045 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.046 -1.933 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.700 -3.138 2.144 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.874 -3.033 3.441 1.00 0.00 H new ATOM 1734 N GLN A 114 -10.607 -0.970 5.862 1.00 0.00 N ATOM 1735 CA GLN A 114 -10.962 -0.314 7.115 1.00 0.00 C ATOM 1736 C GLN A 114 -12.468 -0.089 7.203 1.00 0.00 C ATOM 1737 O GLN A 114 -12.936 0.760 7.963 1.00 0.00 O ATOM 1738 CB GLN A 114 -10.227 1.021 7.243 1.00 0.00 C ATOM 1739 CG GLN A 114 -10.800 2.118 6.362 1.00 0.00 C ATOM 1740 CD GLN A 114 -10.307 3.498 6.752 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -9.601 3.658 7.748 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -10.678 4.503 5.968 1.00 0.00 N ATOM 0 H GLN A 114 -9.754 -0.618 5.429 1.00 0.00 H new ATOM 0 HA GLN A 114 -10.661 -0.966 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -10.261 1.347 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -9.177 0.874 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -10.533 1.921 5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -11.888 2.095 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -11.264 4.324 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -10.377 5.454 6.181 1.00 0.00 H new