USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 687 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 83 HIS :FLIP no HE2:sc= 0.0243 F(o=0.63,f=1.3) USER MOD Set 1.2: A 100 THR OG1 : rot 85:sc= 1.3 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= -0.531 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0295 USER MOD Set 3.1: A 44 THR OG1 : rot -140:sc= 0.537 USER MOD Set 3.2: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 65 LYS NZ :NH3+ -179:sc= 0.394 (180deg=-0.211) USER MOD Set 4.1: A 62 TYR OH : rot 165:sc= -2.86! USER MOD Set 4.2: A 79 HIS : no HD1:sc= -0.959 X(o=-3.8,f=-4.1) USER MOD Set 5.1: A 54 GLN : amide:sc= -0.0132 K(o=-0.013,f=-0.64) USER MOD Set 5.2: A 97 GLN : amide:sc= 0 K(o=-0.013,f=-0.64) USER MOD Single : A 8 THR OG1 : rot 14:sc= 0.451 USER MOD Single : A 11 GLN : amide:sc= 0.701 K(o=0.7,f=-0.03) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 32 SER OG : rot 38:sc= 0.326 USER MOD Single : A 33 TYR OH : rot -13:sc= 0.101 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Single : A 47 SER OG : rot -37:sc= 0.478 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.108) USER MOD Single : A 59 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.19) USER MOD Single : A 68 SER OG : rot 68:sc= 0.294 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 64:sc= 1.27 USER MOD Single : A 88 GLN : amide:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 92 SER OG : rot 77:sc= 1.26 USER MOD Single : A 98 ASN : amide:sc= 0.22 K(o=0.22,f=-0.48) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= -0.0947 (180deg=-0.581) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 8 0.793 11.535 -3.328 1.00 0.00 N ATOM 121 CA THR A 8 1.518 10.290 -3.178 1.00 0.00 C ATOM 122 C THR A 8 1.101 9.594 -1.882 1.00 0.00 C ATOM 123 O THR A 8 0.393 10.176 -1.057 1.00 0.00 O ATOM 124 CB THR A 8 3.038 10.549 -3.176 1.00 0.00 C ATOM 125 OG1 THR A 8 3.349 11.603 -4.093 1.00 0.00 O ATOM 126 CG2 THR A 8 3.817 9.302 -3.574 1.00 0.00 C ATOM 0 HA THR A 8 1.278 9.643 -4.021 1.00 0.00 H new ATOM 0 HB THR A 8 3.326 10.830 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.526 12.074 -4.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.885 9.521 -3.562 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.603 8.499 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.521 8.993 -4.577 1.00 0.00 H new ATOM 134 N VAL A 9 1.541 8.354 -1.713 1.00 0.00 N ATOM 135 CA VAL A 9 1.176 7.545 -0.556 1.00 0.00 C ATOM 136 C VAL A 9 1.563 8.228 0.755 1.00 0.00 C ATOM 137 O VAL A 9 0.765 8.293 1.690 1.00 0.00 O ATOM 138 CB VAL A 9 1.849 6.157 -0.622 1.00 0.00 C ATOM 139 CG1 VAL A 9 1.383 5.270 0.522 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.576 5.490 -1.963 1.00 0.00 C ATOM 0 H VAL A 9 2.159 7.881 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 9 0.093 7.426 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 9 2.925 6.300 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.872 4.298 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.640 5.738 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.303 5.137 0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.059 4.513 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.501 5.367 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.972 6.112 -2.766 1.00 0.00 H new ATOM 150 N GLU A 10 2.780 8.759 0.810 1.00 0.00 N ATOM 151 CA GLU A 10 3.292 9.360 2.036 1.00 0.00 C ATOM 152 C GLU A 10 2.484 10.592 2.448 1.00 0.00 C ATOM 153 O GLU A 10 2.278 10.836 3.638 1.00 0.00 O ATOM 154 CB GLU A 10 4.790 9.687 1.898 1.00 0.00 C ATOM 155 CG GLU A 10 5.236 10.099 0.496 1.00 0.00 C ATOM 156 CD GLU A 10 4.804 11.498 0.105 1.00 0.00 C ATOM 157 OE1 GLU A 10 5.497 12.464 0.480 1.00 0.00 O ATOM 158 OE2 GLU A 10 3.782 11.635 -0.593 1.00 0.00 O ATOM 0 H GLU A 10 3.428 8.785 0.023 1.00 0.00 H new ATOM 0 HA GLU A 10 3.179 8.628 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.036 10.491 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.366 8.814 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.322 10.034 0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.834 9.389 -0.227 1.00 0.00 H new ATOM 165 N GLN A 11 2.008 11.344 1.466 1.00 0.00 N ATOM 166 CA GLN A 11 1.194 12.520 1.729 1.00 0.00 C ATOM 167 C GLN A 11 -0.195 12.124 2.213 1.00 0.00 C ATOM 168 O GLN A 11 -0.728 12.727 3.149 1.00 0.00 O ATOM 169 CB GLN A 11 1.082 13.386 0.471 1.00 0.00 C ATOM 170 CG GLN A 11 0.207 14.621 0.644 1.00 0.00 C ATOM 171 CD GLN A 11 0.724 15.575 1.706 1.00 0.00 C ATOM 172 OE1 GLN A 11 1.503 16.482 1.419 1.00 0.00 O ATOM 173 NE2 GLN A 11 0.286 15.384 2.940 1.00 0.00 N ATOM 0 H GLN A 11 2.173 11.159 0.477 1.00 0.00 H new ATOM 0 HA GLN A 11 1.682 13.097 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.081 13.701 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.680 12.779 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.141 15.148 -0.308 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.804 14.309 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.360 14.620 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.594 16.001 3.692 1.00 0.00 H new ATOM 182 N TRP A 12 -0.781 11.112 1.579 1.00 0.00 N ATOM 183 CA TRP A 12 -2.125 10.682 1.938 1.00 0.00 C ATOM 184 C TRP A 12 -2.155 10.139 3.360 1.00 0.00 C ATOM 185 O TRP A 12 -2.960 10.584 4.172 1.00 0.00 O ATOM 186 CB TRP A 12 -2.660 9.634 0.958 1.00 0.00 C ATOM 187 CG TRP A 12 -4.089 9.270 1.237 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.156 10.120 1.249 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.608 7.971 1.549 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.304 9.433 1.555 1.00 0.00 N ATOM 191 CE2 TRP A 12 -5.995 8.112 1.742 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.037 6.701 1.684 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -6.816 7.036 2.066 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -4.854 5.633 2.006 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.232 5.807 2.192 1.00 0.00 C ATOM 0 H TRP A 12 -0.350 10.581 0.822 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.774 11.556 1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.577 10.016 -0.060 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.042 8.738 1.014 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.105 11.180 1.047 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.236 9.840 1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.976 6.557 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -7.878 7.168 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.423 4.649 2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.845 4.953 2.440 1.00 0.00 H new ATOM 206 N LEU A 13 -1.263 9.199 3.660 1.00 0.00 N ATOM 207 CA LEU A 13 -1.194 8.609 4.998 1.00 0.00 C ATOM 208 C LEU A 13 -0.930 9.677 6.053 1.00 0.00 C ATOM 209 O LEU A 13 -1.504 9.640 7.141 1.00 0.00 O ATOM 210 CB LEU A 13 -0.111 7.524 5.067 1.00 0.00 C ATOM 211 CG LEU A 13 -0.557 6.107 4.682 1.00 0.00 C ATOM 212 CD1 LEU A 13 -1.690 5.640 5.584 1.00 0.00 C ATOM 213 CD2 LEU A 13 -0.973 6.043 3.221 1.00 0.00 C ATOM 0 H LEU A 13 -0.580 8.829 2.999 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.160 8.148 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.711 7.816 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.284 7.496 6.082 1.00 0.00 H new ATOM 0 HG LEU A 13 0.292 5.437 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.993 4.633 5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.352 5.635 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.538 6.317 5.483 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.284 5.028 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.803 6.729 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.131 6.327 2.590 1.00 0.00 H new ATOM 225 N ASN A 14 -0.080 10.641 5.711 1.00 0.00 N ATOM 226 CA ASN A 14 0.259 11.729 6.623 1.00 0.00 C ATOM 227 C ASN A 14 -0.989 12.519 7.006 1.00 0.00 C ATOM 228 O ASN A 14 -1.207 12.820 8.180 1.00 0.00 O ATOM 229 CB ASN A 14 1.302 12.655 5.984 1.00 0.00 C ATOM 230 CG ASN A 14 1.774 13.748 6.924 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.765 13.587 8.144 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.214 14.862 6.360 1.00 0.00 N ATOM 0 H ASN A 14 0.388 10.691 4.806 1.00 0.00 H new ATOM 0 HA ASN A 14 0.684 11.298 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.159 12.063 5.664 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.877 13.110 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.562 15.625 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.205 14.957 5.345 1.00 0.00 H new ATOM 239 N ARG A 15 -1.820 12.835 6.021 1.00 0.00 N ATOM 240 CA ARG A 15 -3.051 13.565 6.288 1.00 0.00 C ATOM 241 C ARG A 15 -4.098 12.643 6.904 1.00 0.00 C ATOM 242 O ARG A 15 -4.845 13.049 7.789 1.00 0.00 O ATOM 243 CB ARG A 15 -3.612 14.198 5.013 1.00 0.00 C ATOM 244 CG ARG A 15 -4.884 14.993 5.263 1.00 0.00 C ATOM 245 CD ARG A 15 -5.531 15.467 3.974 1.00 0.00 C ATOM 246 NE ARG A 15 -6.825 16.094 4.230 1.00 0.00 N ATOM 247 CZ ARG A 15 -7.867 16.027 3.401 1.00 0.00 C ATOM 248 NH1 ARG A 15 -7.749 15.433 2.222 1.00 0.00 N ATOM 249 NH2 ARG A 15 -9.024 16.575 3.748 1.00 0.00 N ATOM 0 H ARG A 15 -1.666 12.600 5.040 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.812 14.361 6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.859 14.854 4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.816 13.415 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.592 14.376 5.817 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.654 15.855 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.873 16.177 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.661 14.622 3.298 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.939 16.617 5.099 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.857 15.024 1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.550 15.385 1.593 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.115 17.047 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.822 16.525 3.115 1.00 0.00 H new ATOM 263 N TRP A 16 -4.130 11.400 6.430 1.00 0.00 N ATOM 264 CA TRP A 16 -5.110 10.412 6.871 1.00 0.00 C ATOM 265 C TRP A 16 -5.145 10.305 8.391 1.00 0.00 C ATOM 266 O TRP A 16 -6.187 10.515 9.008 1.00 0.00 O ATOM 267 CB TRP A 16 -4.790 9.045 6.251 1.00 0.00 C ATOM 268 CG TRP A 16 -5.773 7.967 6.601 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.974 7.722 5.997 1.00 0.00 C ATOM 270 CD2 TRP A 16 -5.634 6.979 7.630 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.590 6.649 6.592 1.00 0.00 N ATOM 272 CE2 TRP A 16 -6.789 6.176 7.596 1.00 0.00 C ATOM 273 CE3 TRP A 16 -4.648 6.699 8.579 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -6.980 5.112 8.471 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -4.838 5.643 9.447 1.00 0.00 C ATOM 276 CH2 TRP A 16 -5.997 4.860 9.388 1.00 0.00 C ATOM 0 H TRP A 16 -3.477 11.050 5.729 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.095 10.738 6.536 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -4.753 9.150 5.167 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.797 8.735 6.575 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.379 8.289 5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.498 6.266 6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.752 7.299 8.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -7.873 4.506 8.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -4.081 5.417 10.183 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.117 4.040 10.081 1.00 0.00 H new ATOM 541 N SER A 32 -2.600 -0.121 14.188 1.00 0.00 N ATOM 542 CA SER A 32 -1.391 -0.873 13.873 1.00 0.00 C ATOM 543 C SER A 32 -1.286 -1.221 12.384 1.00 0.00 C ATOM 544 O SER A 32 -0.194 -1.478 11.874 1.00 0.00 O ATOM 545 CB SER A 32 -1.374 -2.145 14.723 1.00 0.00 C ATOM 546 OG SER A 32 -1.697 -1.843 16.073 1.00 0.00 O ATOM 0 HA SER A 32 -0.528 -0.248 14.103 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.088 -2.866 14.324 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.389 -2.610 14.673 1.00 0.00 H new ATOM 0 HG SER A 32 -2.396 -1.157 16.096 1.00 0.00 H new ATOM 552 N TYR A 33 -2.413 -1.216 11.681 1.00 0.00 N ATOM 553 CA TYR A 33 -2.412 -1.533 10.257 1.00 0.00 C ATOM 554 C TYR A 33 -1.789 -0.406 9.443 1.00 0.00 C ATOM 555 O TYR A 33 -1.337 -0.622 8.322 1.00 0.00 O ATOM 556 CB TYR A 33 -3.830 -1.855 9.759 1.00 0.00 C ATOM 557 CG TYR A 33 -4.855 -0.755 9.954 1.00 0.00 C ATOM 558 CD1 TYR A 33 -5.024 0.248 9.005 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.671 -0.739 11.077 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.976 1.237 9.175 1.00 0.00 C ATOM 561 CE2 TYR A 33 -6.622 0.249 11.254 1.00 0.00 C ATOM 562 CZ TYR A 33 -6.771 1.233 10.302 1.00 0.00 C ATOM 563 OH TYR A 33 -7.721 2.214 10.474 1.00 0.00 O ATOM 0 H TYR A 33 -3.331 -0.998 12.069 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.799 -2.424 10.117 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.778 -2.095 8.697 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.182 -2.751 10.271 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.402 0.255 8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.561 -1.511 11.824 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.096 2.009 8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.246 0.249 12.136 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.565 2.937 9.831 1.00 0.00 H new ATOM 573 N GLU A 34 -1.737 0.785 10.021 1.00 0.00 N ATOM 574 CA GLU A 34 -1.117 1.928 9.365 1.00 0.00 C ATOM 575 C GLU A 34 0.398 1.730 9.352 1.00 0.00 C ATOM 576 O GLU A 34 1.087 2.115 8.404 1.00 0.00 O ATOM 577 CB GLU A 34 -1.507 3.217 10.107 1.00 0.00 C ATOM 578 CG GLU A 34 -1.300 4.506 9.317 1.00 0.00 C ATOM 579 CD GLU A 34 0.130 5.012 9.341 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.877 4.669 10.280 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.511 5.768 8.424 1.00 0.00 O ATOM 0 H GLU A 34 -2.118 0.986 10.946 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.465 2.013 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.556 3.149 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.928 3.277 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.600 4.340 8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.956 5.278 9.719 1.00 0.00 H new ATOM 588 N THR A 35 0.894 1.073 10.397 1.00 0.00 N ATOM 589 CA THR A 35 2.317 0.808 10.547 1.00 0.00 C ATOM 590 C THR A 35 2.846 -0.099 9.433 1.00 0.00 C ATOM 591 O THR A 35 3.781 0.272 8.726 1.00 0.00 O ATOM 592 CB THR A 35 2.604 0.174 11.918 1.00 0.00 C ATOM 593 OG1 THR A 35 2.019 0.982 12.948 1.00 0.00 O ATOM 594 CG2 THR A 35 4.101 0.044 12.161 1.00 0.00 C ATOM 0 H THR A 35 0.321 0.712 11.160 1.00 0.00 H new ATOM 0 HA THR A 35 2.835 1.764 10.476 1.00 0.00 H new ATOM 0 HB THR A 35 2.168 -0.825 11.933 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.200 0.578 13.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.273 -0.407 13.138 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.542 -0.585 11.388 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.562 1.031 12.131 1.00 0.00 H new ATOM 602 N VAL A 36 2.245 -1.283 9.267 1.00 0.00 N ATOM 603 CA VAL A 36 2.686 -2.215 8.224 1.00 0.00 C ATOM 604 C VAL A 36 2.606 -1.563 6.849 1.00 0.00 C ATOM 605 O VAL A 36 3.479 -1.774 6.000 1.00 0.00 O ATOM 606 CB VAL A 36 1.874 -3.535 8.207 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.250 -4.413 9.387 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.378 -3.259 8.210 1.00 0.00 C ATOM 0 H VAL A 36 1.464 -1.615 9.832 1.00 0.00 H new ATOM 0 HA VAL A 36 3.720 -2.464 8.462 1.00 0.00 H new ATOM 0 HB VAL A 36 2.121 -4.065 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.668 -5.334 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.312 -4.653 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.040 -3.883 10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.166 -4.203 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.113 -2.699 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.114 -2.677 7.327 1.00 0.00 H new ATOM 618 N LEU A 37 1.573 -0.757 6.651 1.00 0.00 N ATOM 619 CA LEU A 37 1.382 -0.041 5.403 1.00 0.00 C ATOM 620 C LEU A 37 2.568 0.868 5.109 1.00 0.00 C ATOM 621 O LEU A 37 3.328 0.614 4.173 1.00 0.00 O ATOM 622 CB LEU A 37 0.088 0.770 5.455 1.00 0.00 C ATOM 623 CG LEU A 37 -1.195 -0.052 5.347 1.00 0.00 C ATOM 624 CD1 LEU A 37 -2.412 0.822 5.595 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.282 -0.717 3.984 1.00 0.00 C ATOM 0 H LEU A 37 0.849 -0.583 7.348 1.00 0.00 H new ATOM 0 HA LEU A 37 1.309 -0.771 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.065 1.330 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.102 1.501 4.646 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.173 -0.830 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.316 0.218 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.352 1.254 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.442 1.622 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.201 -1.299 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.282 0.046 3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.425 -1.376 3.845 1.00 0.00 H new ATOM 637 N ARG A 38 2.752 1.898 5.930 1.00 0.00 N ATOM 638 CA ARG A 38 3.810 2.875 5.693 1.00 0.00 C ATOM 639 C ARG A 38 5.187 2.222 5.688 1.00 0.00 C ATOM 640 O ARG A 38 6.070 2.633 4.937 1.00 0.00 O ATOM 641 CB ARG A 38 3.771 4.006 6.728 1.00 0.00 C ATOM 642 CG ARG A 38 4.020 3.571 8.166 1.00 0.00 C ATOM 643 CD ARG A 38 4.218 4.778 9.073 1.00 0.00 C ATOM 644 NE ARG A 38 3.181 5.781 8.857 1.00 0.00 N ATOM 645 CZ ARG A 38 3.412 7.037 8.488 1.00 0.00 C ATOM 646 NH1 ARG A 38 4.654 7.502 8.410 1.00 0.00 N ATOM 647 NH2 ARG A 38 2.389 7.831 8.211 1.00 0.00 N ATOM 0 H ARG A 38 2.187 2.077 6.760 1.00 0.00 H new ATOM 0 HA ARG A 38 3.629 3.301 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.517 4.753 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.797 4.493 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.177 2.978 8.522 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.901 2.931 8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.206 4.458 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.197 5.219 8.886 1.00 0.00 H new ATOM 0 HE ARG A 38 2.211 5.499 8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.441 6.894 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.820 8.467 8.126 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.435 7.477 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.555 8.796 7.927 1.00 0.00 H new ATOM 661 N LEU A 39 5.352 1.197 6.510 1.00 0.00 N ATOM 662 CA LEU A 39 6.628 0.509 6.634 1.00 0.00 C ATOM 663 C LEU A 39 7.024 -0.166 5.324 1.00 0.00 C ATOM 664 O LEU A 39 8.202 -0.234 4.983 1.00 0.00 O ATOM 665 CB LEU A 39 6.550 -0.538 7.747 1.00 0.00 C ATOM 666 CG LEU A 39 7.851 -1.286 8.038 1.00 0.00 C ATOM 667 CD1 LEU A 39 8.902 -0.332 8.585 1.00 0.00 C ATOM 668 CD2 LEU A 39 7.606 -2.428 9.012 1.00 0.00 C ATOM 0 H LEU A 39 4.613 0.821 7.105 1.00 0.00 H new ATOM 0 HA LEU A 39 7.387 1.252 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.221 -0.046 8.662 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.783 -1.267 7.484 1.00 0.00 H new ATOM 0 HG LEU A 39 8.222 -1.708 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.822 -0.881 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.100 0.450 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.539 0.119 9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.544 -2.948 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.211 -2.030 9.947 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.887 -3.125 8.582 1.00 0.00 H new ATOM 680 N HIS A 40 6.040 -0.667 4.588 1.00 0.00 N ATOM 681 CA HIS A 40 6.333 -1.424 3.376 1.00 0.00 C ATOM 682 C HIS A 40 6.170 -0.597 2.104 1.00 0.00 C ATOM 683 O HIS A 40 7.033 -0.637 1.233 1.00 0.00 O ATOM 684 CB HIS A 40 5.465 -2.682 3.302 1.00 0.00 C ATOM 685 CG HIS A 40 5.825 -3.707 4.333 1.00 0.00 C ATOM 686 ND1 HIS A 40 5.367 -3.657 5.629 1.00 0.00 N ATOM 687 CD2 HIS A 40 6.617 -4.804 4.258 1.00 0.00 C ATOM 688 CE1 HIS A 40 5.862 -4.673 6.311 1.00 0.00 C ATOM 689 NE2 HIS A 40 6.619 -5.386 5.501 1.00 0.00 N ATOM 0 H HIS A 40 5.048 -0.566 4.803 1.00 0.00 H new ATOM 0 HA HIS A 40 7.383 -1.711 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.419 -2.402 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.561 -3.124 2.310 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.741 -2.945 6.005 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.147 -5.154 3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.678 -4.884 7.354 1.00 0.00 H new ATOM 698 N VAL A 41 5.085 0.161 1.996 1.00 0.00 N ATOM 699 CA VAL A 41 4.759 0.820 0.730 1.00 0.00 C ATOM 700 C VAL A 41 5.554 2.111 0.514 1.00 0.00 C ATOM 701 O VAL A 41 5.993 2.384 -0.599 1.00 0.00 O ATOM 702 CB VAL A 41 3.239 1.102 0.601 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.767 2.127 1.618 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.893 1.550 -0.810 1.00 0.00 C ATOM 0 H VAL A 41 4.424 0.335 2.753 1.00 0.00 H new ATOM 0 HA VAL A 41 5.050 0.118 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 41 2.716 0.169 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.697 2.296 1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.962 1.757 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.303 3.064 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.822 1.742 -0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.441 2.462 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.167 0.768 -1.518 1.00 0.00 H new ATOM 714 N ILE A 42 5.781 2.883 1.572 1.00 0.00 N ATOM 715 CA ILE A 42 6.412 4.197 1.426 1.00 0.00 C ATOM 716 C ILE A 42 7.875 4.113 0.955 1.00 0.00 C ATOM 717 O ILE A 42 8.249 4.802 0.007 1.00 0.00 O ATOM 718 CB ILE A 42 6.320 5.029 2.727 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.857 5.372 3.026 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.153 6.302 2.617 1.00 0.00 C ATOM 721 CD1 ILE A 42 4.667 6.254 4.243 1.00 0.00 C ATOM 0 H ILE A 42 5.542 2.629 2.530 1.00 0.00 H new ATOM 0 HA ILE A 42 5.846 4.706 0.646 1.00 0.00 H new ATOM 0 HB ILE A 42 6.719 4.434 3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.427 5.871 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.300 4.446 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.073 6.871 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.196 6.040 2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.786 6.906 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.605 6.451 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.065 5.750 5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.194 7.197 4.095 1.00 0.00 H new ATOM 733 N PRO A 43 8.735 3.295 1.591 1.00 0.00 N ATOM 734 CA PRO A 43 10.153 3.216 1.212 1.00 0.00 C ATOM 735 C PRO A 43 10.386 2.697 -0.211 1.00 0.00 C ATOM 736 O PRO A 43 11.351 3.087 -0.867 1.00 0.00 O ATOM 737 CB PRO A 43 10.752 2.241 2.234 1.00 0.00 C ATOM 738 CG PRO A 43 9.778 2.207 3.357 1.00 0.00 C ATOM 739 CD PRO A 43 8.432 2.416 2.733 1.00 0.00 C ATOM 0 HA PRO A 43 10.607 4.207 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.888 1.250 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.732 2.578 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.821 1.254 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.996 2.986 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.985 1.475 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.732 2.881 3.427 1.00 0.00 H new ATOM 747 N THR A 44 9.503 1.832 -0.698 1.00 0.00 N ATOM 748 CA THR A 44 9.745 1.160 -1.970 1.00 0.00 C ATOM 749 C THR A 44 8.848 1.693 -3.099 1.00 0.00 C ATOM 750 O THR A 44 9.185 1.557 -4.281 1.00 0.00 O ATOM 751 CB THR A 44 9.563 -0.369 -1.819 1.00 0.00 C ATOM 752 OG1 THR A 44 10.109 -1.059 -2.951 1.00 0.00 O ATOM 753 CG2 THR A 44 8.097 -0.744 -1.658 1.00 0.00 C ATOM 0 H THR A 44 8.626 1.582 -0.240 1.00 0.00 H new ATOM 0 HA THR A 44 10.776 1.375 -2.250 1.00 0.00 H new ATOM 0 HB THR A 44 10.099 -0.669 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.518 -1.801 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.007 -1.825 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.693 -0.260 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.539 -0.416 -2.535 1.00 0.00 H new ATOM 761 N LEU A 45 7.716 2.287 -2.737 1.00 0.00 N ATOM 762 CA LEU A 45 6.759 2.805 -3.720 1.00 0.00 C ATOM 763 C LEU A 45 6.411 4.264 -3.432 1.00 0.00 C ATOM 764 O LEU A 45 5.375 4.762 -3.868 1.00 0.00 O ATOM 765 CB LEU A 45 5.473 1.962 -3.712 1.00 0.00 C ATOM 766 CG LEU A 45 5.338 0.921 -4.832 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.401 -0.157 -4.717 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.950 0.296 -4.806 1.00 0.00 C ATOM 0 H LEU A 45 7.434 2.424 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 45 7.227 2.744 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.408 1.445 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.620 2.638 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 45 5.481 1.433 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.277 -0.878 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.389 0.298 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.301 -0.666 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.868 -0.440 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.789 -0.192 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.199 1.073 -4.949 1.00 0.00 H new ATOM 780 N GLY A 46 7.302 4.959 -2.733 1.00 0.00 N ATOM 781 CA GLY A 46 7.041 6.338 -2.349 1.00 0.00 C ATOM 782 C GLY A 46 7.234 7.314 -3.493 1.00 0.00 C ATOM 783 O GLY A 46 7.114 8.526 -3.317 1.00 0.00 O ATOM 0 H GLY A 46 8.203 4.593 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.020 6.419 -1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.703 6.613 -1.528 1.00 0.00 H new ATOM 787 N SER A 47 7.535 6.782 -4.663 1.00 0.00 N ATOM 788 CA SER A 47 7.718 7.590 -5.854 1.00 0.00 C ATOM 789 C SER A 47 6.509 7.423 -6.776 1.00 0.00 C ATOM 790 O SER A 47 6.495 7.903 -7.912 1.00 0.00 O ATOM 791 CB SER A 47 9.017 7.168 -6.560 1.00 0.00 C ATOM 792 OG SER A 47 9.307 7.984 -7.685 1.00 0.00 O ATOM 0 H SER A 47 7.659 5.781 -4.814 1.00 0.00 H new ATOM 0 HA SER A 47 7.798 8.643 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.845 7.219 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.934 6.129 -6.879 1.00 0.00 H new ATOM 0 HG SER A 47 8.473 8.215 -8.145 1.00 0.00 H new ATOM 798 N ILE A 48 5.481 6.751 -6.272 1.00 0.00 N ATOM 799 CA ILE A 48 4.300 6.461 -7.065 1.00 0.00 C ATOM 800 C ILE A 48 3.060 7.124 -6.466 1.00 0.00 C ATOM 801 O ILE A 48 2.655 6.811 -5.346 1.00 0.00 O ATOM 802 CB ILE A 48 4.075 4.937 -7.184 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.300 4.270 -7.823 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.818 4.637 -7.989 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.173 2.770 -7.963 1.00 0.00 C ATOM 0 H ILE A 48 5.445 6.398 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 48 4.466 6.869 -8.062 1.00 0.00 H new ATOM 0 HB ILE A 48 3.938 4.528 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.466 4.705 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.181 4.496 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.680 3.558 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.954 5.082 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.918 5.056 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.077 2.370 -8.422 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.038 2.323 -6.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.313 2.535 -8.590 1.00 0.00 H new ATOM 817 N PRO A 49 2.463 8.074 -7.202 1.00 0.00 N ATOM 818 CA PRO A 49 1.216 8.730 -6.798 1.00 0.00 C ATOM 819 C PRO A 49 0.059 7.742 -6.713 1.00 0.00 C ATOM 820 O PRO A 49 0.061 6.718 -7.399 1.00 0.00 O ATOM 821 CB PRO A 49 0.953 9.752 -7.910 1.00 0.00 C ATOM 822 CG PRO A 49 2.250 9.900 -8.631 1.00 0.00 C ATOM 823 CD PRO A 49 2.970 8.590 -8.478 1.00 0.00 C ATOM 0 HA PRO A 49 1.300 9.179 -5.808 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.168 9.407 -8.582 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.623 10.705 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.086 10.133 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.837 10.717 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.750 7.911 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.051 8.725 -8.456 1.00 0.00 H new ATOM 831 N LEU A 50 -0.936 8.067 -5.893 1.00 0.00 N ATOM 832 CA LEU A 50 -2.072 7.176 -5.661 1.00 0.00 C ATOM 833 C LEU A 50 -2.788 6.824 -6.960 1.00 0.00 C ATOM 834 O LEU A 50 -3.217 5.688 -7.150 1.00 0.00 O ATOM 835 CB LEU A 50 -3.065 7.813 -4.681 1.00 0.00 C ATOM 836 CG LEU A 50 -2.531 8.046 -3.266 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.610 8.666 -2.395 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.032 6.742 -2.657 1.00 0.00 C ATOM 0 H LEU A 50 -0.980 8.945 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.678 6.256 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.391 8.769 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.947 7.176 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.689 8.736 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.219 8.827 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.918 9.620 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.468 7.996 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.657 6.930 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.852 6.025 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.230 6.336 -3.273 1.00 0.00 H new ATOM 850 N LYS A 51 -2.887 7.786 -7.868 1.00 0.00 N ATOM 851 CA LYS A 51 -3.635 7.578 -9.103 1.00 0.00 C ATOM 852 C LYS A 51 -2.749 6.990 -10.196 1.00 0.00 C ATOM 853 O LYS A 51 -3.187 6.792 -11.330 1.00 0.00 O ATOM 854 CB LYS A 51 -4.285 8.887 -9.564 1.00 0.00 C ATOM 855 CG LYS A 51 -5.248 9.451 -8.534 1.00 0.00 C ATOM 856 CD LYS A 51 -6.178 10.498 -9.122 1.00 0.00 C ATOM 857 CE LYS A 51 -7.183 10.969 -8.082 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.195 11.891 -8.658 1.00 0.00 N ATOM 0 H LYS A 51 -2.464 8.709 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.426 6.856 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.507 9.622 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.818 8.715 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.840 8.639 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.681 9.892 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.597 11.346 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.704 10.083 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.686 10.105 -7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.656 11.471 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.859 12.186 -7.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.719 12.729 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.717 11.405 -9.415 1.00 0.00 H new ATOM 872 N LYS A 52 -1.505 6.702 -9.843 1.00 0.00 N ATOM 873 CA LYS A 52 -0.590 6.013 -10.740 1.00 0.00 C ATOM 874 C LYS A 52 -0.428 4.565 -10.284 1.00 0.00 C ATOM 875 O LYS A 52 0.034 3.710 -11.038 1.00 0.00 O ATOM 876 CB LYS A 52 0.776 6.717 -10.770 1.00 0.00 C ATOM 877 CG LYS A 52 1.858 5.919 -11.482 1.00 0.00 C ATOM 878 CD LYS A 52 3.206 6.616 -11.453 1.00 0.00 C ATOM 879 CE LYS A 52 4.329 5.650 -11.801 1.00 0.00 C ATOM 880 NZ LYS A 52 4.073 4.917 -13.071 1.00 0.00 N ATOM 0 H LYS A 52 -1.104 6.937 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.002 6.032 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.666 7.684 -11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.096 6.914 -9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.949 4.938 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.561 5.752 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.205 7.447 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.379 7.039 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.266 6.201 -11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.453 4.933 -10.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.946 4.444 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.329 4.206 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.765 5.588 -13.803 1.00 0.00 H new ATOM 894 N LEU A 53 -0.839 4.307 -9.052 1.00 0.00 N ATOM 895 CA LEU A 53 -0.652 3.010 -8.418 1.00 0.00 C ATOM 896 C LEU A 53 -1.427 1.922 -9.166 1.00 0.00 C ATOM 897 O LEU A 53 -2.653 1.842 -9.083 1.00 0.00 O ATOM 898 CB LEU A 53 -1.088 3.105 -6.946 1.00 0.00 C ATOM 899 CG LEU A 53 -0.668 1.953 -6.020 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.530 0.727 -6.243 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.803 1.617 -6.219 1.00 0.00 C ATOM 0 H LEU A 53 -1.312 4.992 -8.462 1.00 0.00 H new ATOM 0 HA LEU A 53 0.401 2.732 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.691 4.033 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.175 3.183 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.813 2.281 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.208 -0.071 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.572 0.973 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.430 0.395 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.082 0.799 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.971 1.318 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.410 2.493 -5.991 1.00 0.00 H new ATOM 913 N GLN A 54 -0.695 1.102 -9.910 1.00 0.00 N ATOM 914 CA GLN A 54 -1.283 0.003 -10.661 1.00 0.00 C ATOM 915 C GLN A 54 -0.975 -1.327 -9.973 1.00 0.00 C ATOM 916 O GLN A 54 -0.058 -1.409 -9.157 1.00 0.00 O ATOM 917 CB GLN A 54 -0.725 -0.014 -12.090 1.00 0.00 C ATOM 918 CG GLN A 54 -0.946 1.279 -12.860 1.00 0.00 C ATOM 919 CD GLN A 54 -2.410 1.555 -13.142 1.00 0.00 C ATOM 920 OE1 GLN A 54 -3.098 2.207 -12.358 1.00 0.00 O ATOM 921 NE2 GLN A 54 -2.892 1.069 -14.273 1.00 0.00 N ATOM 0 H GLN A 54 0.317 1.180 -10.009 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.363 0.143 -10.700 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.344 -0.221 -12.048 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.187 -0.834 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.528 2.110 -12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.402 1.232 -13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.288 0.533 -14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.868 1.230 -14.522 1.00 0.00 H new ATOM 930 N PRO A 55 -1.741 -2.390 -10.283 1.00 0.00 N ATOM 931 CA PRO A 55 -1.471 -3.740 -9.769 1.00 0.00 C ATOM 932 C PRO A 55 -0.047 -4.204 -10.084 1.00 0.00 C ATOM 933 O PRO A 55 0.547 -4.979 -9.334 1.00 0.00 O ATOM 934 CB PRO A 55 -2.485 -4.618 -10.507 1.00 0.00 C ATOM 935 CG PRO A 55 -3.586 -3.690 -10.884 1.00 0.00 C ATOM 936 CD PRO A 55 -2.941 -2.356 -11.134 1.00 0.00 C ATOM 0 HA PRO A 55 -1.559 -3.784 -8.683 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.040 -5.082 -11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.848 -5.425 -9.870 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.106 -4.044 -11.774 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.327 -3.621 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.684 -2.225 -12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.602 -1.533 -10.863 1.00 0.00 H new ATOM 944 N ALA A 56 0.494 -3.715 -11.197 1.00 0.00 N ATOM 945 CA ALA A 56 1.861 -4.036 -11.597 1.00 0.00 C ATOM 946 C ALA A 56 2.874 -3.424 -10.631 1.00 0.00 C ATOM 947 O ALA A 56 3.966 -3.955 -10.431 1.00 0.00 O ATOM 948 CB ALA A 56 2.124 -3.546 -13.011 1.00 0.00 C ATOM 0 H ALA A 56 0.004 -3.093 -11.840 1.00 0.00 H new ATOM 0 HA ALA A 56 1.976 -5.120 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.147 -3.792 -13.297 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.429 -4.029 -13.698 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.985 -2.466 -13.053 1.00 0.00 H new ATOM 954 N ASP A 57 2.498 -2.311 -10.023 1.00 0.00 N ATOM 955 CA ASP A 57 3.365 -1.631 -9.074 1.00 0.00 C ATOM 956 C ASP A 57 3.310 -2.327 -7.723 1.00 0.00 C ATOM 957 O ASP A 57 4.287 -2.343 -6.974 1.00 0.00 O ATOM 958 CB ASP A 57 2.952 -0.167 -8.932 1.00 0.00 C ATOM 959 CG ASP A 57 3.108 0.606 -10.227 1.00 0.00 C ATOM 960 OD1 ASP A 57 4.257 0.783 -10.688 1.00 0.00 O ATOM 961 OD2 ASP A 57 2.082 1.020 -10.801 1.00 0.00 O ATOM 0 H ASP A 57 1.596 -1.858 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 57 4.389 -1.668 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.914 -0.115 -8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.555 0.304 -8.156 1.00 0.00 H new ATOM 966 N ILE A 58 2.162 -2.919 -7.425 1.00 0.00 N ATOM 967 CA ILE A 58 1.980 -3.642 -6.176 1.00 0.00 C ATOM 968 C ILE A 58 2.711 -4.980 -6.211 1.00 0.00 C ATOM 969 O ILE A 58 3.302 -5.400 -5.216 1.00 0.00 O ATOM 970 CB ILE A 58 0.492 -3.873 -5.863 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.244 -2.536 -5.789 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.338 -4.625 -4.551 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.718 -2.676 -5.479 1.00 0.00 C ATOM 0 H ILE A 58 1.342 -2.912 -8.032 1.00 0.00 H new ATOM 0 HA ILE A 58 2.404 -3.023 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 58 0.058 -4.472 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.223 -1.915 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.128 -2.013 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.721 -4.781 -4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.840 -5.590 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.784 -4.044 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.177 -1.688 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.198 -3.270 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.842 -3.170 -4.516 1.00 0.00 H new ATOM 985 N GLN A 59 2.684 -5.649 -7.360 1.00 0.00 N ATOM 986 CA GLN A 59 3.426 -6.895 -7.507 1.00 0.00 C ATOM 987 C GLN A 59 4.924 -6.619 -7.446 1.00 0.00 C ATOM 988 O GLN A 59 5.689 -7.443 -6.959 1.00 0.00 O ATOM 989 CB GLN A 59 3.061 -7.631 -8.801 1.00 0.00 C ATOM 990 CG GLN A 59 3.369 -6.856 -10.070 1.00 0.00 C ATOM 991 CD GLN A 59 3.095 -7.649 -11.334 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.979 -8.324 -11.863 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.870 -7.565 -11.825 1.00 0.00 N ATOM 0 H GLN A 59 2.166 -5.356 -8.188 1.00 0.00 H new ATOM 0 HA GLN A 59 3.149 -7.549 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.598 -8.579 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.997 -7.867 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.773 -5.943 -10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.416 -6.553 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.169 -6.993 -11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.626 -8.072 -12.676 1.00 0.00 H new ATOM 1002 N ARG A 60 5.324 -5.446 -7.932 1.00 0.00 N ATOM 1003 CA ARG A 60 6.699 -4.975 -7.785 1.00 0.00 C ATOM 1004 C ARG A 60 7.079 -4.904 -6.309 1.00 0.00 C ATOM 1005 O ARG A 60 8.175 -5.304 -5.917 1.00 0.00 O ATOM 1006 CB ARG A 60 6.842 -3.595 -8.432 1.00 0.00 C ATOM 1007 CG ARG A 60 7.939 -2.734 -7.827 1.00 0.00 C ATOM 1008 CD ARG A 60 7.904 -1.316 -8.376 1.00 0.00 C ATOM 1009 NE ARG A 60 8.688 -0.391 -7.557 1.00 0.00 N ATOM 1010 CZ ARG A 60 9.457 0.581 -8.050 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.540 0.766 -9.359 1.00 0.00 N ATOM 1012 NH2 ARG A 60 10.125 1.383 -7.231 1.00 0.00 N ATOM 0 H ARG A 60 4.712 -4.802 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 60 7.370 -5.676 -8.282 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.042 -3.724 -9.496 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.893 -3.066 -8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.826 -2.708 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.911 -3.182 -8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.289 -1.313 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.871 -0.971 -8.424 1.00 0.00 H new ATOM 0 HE ARG A 60 8.644 -0.496 -6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.015 0.164 -9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.129 1.510 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.051 1.257 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.712 2.125 -7.611 1.00 0.00 H new ATOM 1026 N LEU A 61 6.149 -4.401 -5.504 1.00 0.00 N ATOM 1027 CA LEU A 61 6.347 -4.290 -4.063 1.00 0.00 C ATOM 1028 C LEU A 61 6.603 -5.676 -3.492 1.00 0.00 C ATOM 1029 O LEU A 61 7.641 -5.932 -2.880 1.00 0.00 O ATOM 1030 CB LEU A 61 5.095 -3.662 -3.416 1.00 0.00 C ATOM 1031 CG LEU A 61 5.219 -3.169 -1.964 1.00 0.00 C ATOM 1032 CD1 LEU A 61 3.942 -2.452 -1.568 1.00 0.00 C ATOM 1033 CD2 LEU A 61 5.476 -4.310 -0.990 1.00 0.00 C ATOM 0 H LEU A 61 5.244 -4.061 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 61 7.204 -3.651 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.785 -2.818 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.291 -4.397 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 61 6.072 -2.492 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.026 -2.101 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.782 -1.601 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.099 -3.138 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.556 -3.913 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.651 -5.021 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.405 -4.814 -1.257 1.00 0.00 H new ATOM 1045 N TYR A 62 5.642 -6.560 -3.716 1.00 0.00 N ATOM 1046 CA TYR A 62 5.715 -7.926 -3.218 1.00 0.00 C ATOM 1047 C TYR A 62 6.959 -8.644 -3.722 1.00 0.00 C ATOM 1048 O TYR A 62 7.685 -9.237 -2.935 1.00 0.00 O ATOM 1049 CB TYR A 62 4.468 -8.713 -3.621 1.00 0.00 C ATOM 1050 CG TYR A 62 3.180 -8.122 -3.095 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.150 -7.427 -1.891 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.993 -8.263 -3.799 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.976 -6.888 -1.408 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.816 -7.728 -3.322 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.813 -7.042 -2.126 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.360 -6.505 -1.653 1.00 0.00 O ATOM 0 H TYR A 62 4.795 -6.353 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 62 5.771 -7.870 -2.131 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.417 -8.763 -4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.562 -9.737 -3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.062 -7.307 -1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.991 -8.801 -4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.970 -6.349 -0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.100 -7.846 -3.882 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.026 -6.489 -2.372 1.00 0.00 H new ATOM 1066 N ALA A 63 7.213 -8.571 -5.026 1.00 0.00 N ATOM 1067 CA ALA A 63 8.335 -9.289 -5.627 1.00 0.00 C ATOM 1068 C ALA A 63 9.667 -8.818 -5.060 1.00 0.00 C ATOM 1069 O ALA A 63 10.513 -9.631 -4.676 1.00 0.00 O ATOM 1070 CB ALA A 63 8.322 -9.129 -7.141 1.00 0.00 C ATOM 0 H ALA A 63 6.659 -8.024 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 63 8.220 -10.345 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.165 -9.670 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.391 -9.530 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.401 -8.072 -7.396 1.00 0.00 H new ATOM 1076 N SER A 64 9.839 -7.504 -4.993 1.00 0.00 N ATOM 1077 CA SER A 64 11.075 -6.914 -4.500 1.00 0.00 C ATOM 1078 C SER A 64 11.331 -7.314 -3.046 1.00 0.00 C ATOM 1079 O SER A 64 12.474 -7.531 -2.643 1.00 0.00 O ATOM 1080 CB SER A 64 11.010 -5.387 -4.630 1.00 0.00 C ATOM 1081 OG SER A 64 12.255 -4.777 -4.326 1.00 0.00 O ATOM 0 H SER A 64 9.133 -6.824 -5.276 1.00 0.00 H new ATOM 0 HA SER A 64 11.902 -7.289 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.714 -5.121 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.242 -4.998 -3.961 1.00 0.00 H new ATOM 0 HG SER A 64 12.175 -3.805 -4.421 1.00 0.00 H new ATOM 1087 N LYS A 65 10.264 -7.427 -2.265 1.00 0.00 N ATOM 1088 CA LYS A 65 10.390 -7.742 -0.846 1.00 0.00 C ATOM 1089 C LYS A 65 10.409 -9.250 -0.601 1.00 0.00 C ATOM 1090 O LYS A 65 11.028 -9.724 0.353 1.00 0.00 O ATOM 1091 CB LYS A 65 9.262 -7.074 -0.057 1.00 0.00 C ATOM 1092 CG LYS A 65 9.619 -5.680 0.450 1.00 0.00 C ATOM 1093 CD LYS A 65 10.163 -4.796 -0.662 1.00 0.00 C ATOM 1094 CE LYS A 65 10.771 -3.514 -0.117 1.00 0.00 C ATOM 1095 NZ LYS A 65 11.564 -2.792 -1.152 1.00 0.00 N ATOM 0 H LYS A 65 9.304 -7.306 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 65 11.345 -7.348 -0.497 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.377 -7.007 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.000 -7.705 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.735 -5.214 0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.360 -5.761 1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.917 -5.345 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.360 -4.551 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.978 -2.864 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.412 -3.749 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.976 -1.932 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.326 -3.409 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.944 -2.530 -1.945 1.00 0.00 H new ATOM 1109 N LEU A 66 9.743 -10.000 -1.466 1.00 0.00 N ATOM 1110 CA LEU A 66 9.770 -11.457 -1.402 1.00 0.00 C ATOM 1111 C LEU A 66 11.197 -11.947 -1.598 1.00 0.00 C ATOM 1112 O LEU A 66 11.666 -12.839 -0.889 1.00 0.00 O ATOM 1113 CB LEU A 66 8.861 -12.051 -2.483 1.00 0.00 C ATOM 1114 CG LEU A 66 8.711 -13.574 -2.463 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.931 -14.026 -1.239 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.031 -14.053 -3.736 1.00 0.00 C ATOM 0 H LEU A 66 9.174 -9.623 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 66 9.407 -11.778 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.871 -11.606 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.247 -11.755 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 66 9.706 -14.016 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.838 -15.112 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.457 -13.714 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.938 -13.577 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.931 -15.138 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.043 -13.599 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.631 -13.766 -4.599 1.00 0.00 H new ATOM 1128 N GLU A 67 11.888 -11.324 -2.548 1.00 0.00 N ATOM 1129 CA GLU A 67 13.283 -11.639 -2.833 1.00 0.00 C ATOM 1130 C GLU A 67 14.167 -11.347 -1.619 1.00 0.00 C ATOM 1131 O GLU A 67 15.200 -11.990 -1.416 1.00 0.00 O ATOM 1132 CB GLU A 67 13.759 -10.821 -4.036 1.00 0.00 C ATOM 1133 CG GLU A 67 15.220 -11.038 -4.393 1.00 0.00 C ATOM 1134 CD GLU A 67 15.721 -10.037 -5.411 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.457 -8.830 -5.238 1.00 0.00 O ATOM 1136 OE2 GLU A 67 16.421 -10.442 -6.367 1.00 0.00 O ATOM 0 H GLU A 67 11.498 -10.590 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 67 13.360 -12.702 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.144 -11.073 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.600 -9.763 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.826 -10.967 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.349 -12.047 -4.786 1.00 0.00 H new ATOM 1143 N SER A 68 13.749 -10.385 -0.804 1.00 0.00 N ATOM 1144 CA SER A 68 14.507 -9.998 0.380 1.00 0.00 C ATOM 1145 C SER A 68 14.410 -11.061 1.475 1.00 0.00 C ATOM 1146 O SER A 68 15.163 -11.029 2.452 1.00 0.00 O ATOM 1147 CB SER A 68 14.015 -8.650 0.905 1.00 0.00 C ATOM 1148 OG SER A 68 14.095 -7.653 -0.102 1.00 0.00 O ATOM 0 H SER A 68 12.887 -9.858 -0.942 1.00 0.00 H new ATOM 0 HA SER A 68 15.555 -9.907 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.985 -8.743 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.612 -8.351 1.766 1.00 0.00 H new ATOM 0 HG SER A 68 13.447 -7.850 -0.810 1.00 0.00 H new ATOM 1154 N GLY A 69 13.483 -12.000 1.314 1.00 0.00 N ATOM 1155 CA GLY A 69 13.373 -13.094 2.260 1.00 0.00 C ATOM 1156 C GLY A 69 12.046 -13.126 2.993 1.00 0.00 C ATOM 1157 O GLY A 69 11.905 -13.838 3.989 1.00 0.00 O ATOM 0 H GLY A 69 12.809 -12.023 0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.510 -14.037 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.180 -13.017 2.988 1.00 0.00 H new ATOM 1161 N LEU A 70 11.070 -12.365 2.515 1.00 0.00 N ATOM 1162 CA LEU A 70 9.749 -12.371 3.132 1.00 0.00 C ATOM 1163 C LEU A 70 9.008 -13.655 2.793 1.00 0.00 C ATOM 1164 O LEU A 70 9.130 -14.178 1.687 1.00 0.00 O ATOM 1165 CB LEU A 70 8.916 -11.165 2.690 1.00 0.00 C ATOM 1166 CG LEU A 70 9.343 -9.818 3.277 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.410 -8.718 2.800 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.357 -9.874 4.798 1.00 0.00 C ATOM 0 H LEU A 70 11.165 -11.743 1.712 1.00 0.00 H new ATOM 0 HA LEU A 70 9.894 -12.310 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.956 -11.097 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.876 -11.346 2.960 1.00 0.00 H new ATOM 0 HG LEU A 70 10.353 -9.597 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.724 -7.765 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.443 -8.659 1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.392 -8.940 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.663 -8.906 5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.359 -10.116 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.059 -10.640 5.127 1.00 0.00 H new ATOM 1180 N SER A 71 8.257 -14.166 3.751 1.00 0.00 N ATOM 1181 CA SER A 71 7.473 -15.367 3.540 1.00 0.00 C ATOM 1182 C SER A 71 6.146 -15.003 2.873 1.00 0.00 C ATOM 1183 O SER A 71 5.632 -13.899 3.079 1.00 0.00 O ATOM 1184 CB SER A 71 7.229 -16.067 4.884 1.00 0.00 C ATOM 1185 OG SER A 71 6.797 -17.406 4.703 1.00 0.00 O ATOM 0 H SER A 71 8.174 -13.766 4.686 1.00 0.00 H new ATOM 0 HA SER A 71 8.016 -16.049 2.886 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.146 -16.056 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.479 -15.516 5.452 1.00 0.00 H new ATOM 0 HG SER A 71 6.652 -17.824 5.577 1.00 0.00 H new ATOM 1191 N PRO A 72 5.584 -15.908 2.046 1.00 0.00 N ATOM 1192 CA PRO A 72 4.299 -15.682 1.368 1.00 0.00 C ATOM 1193 C PRO A 72 3.187 -15.270 2.331 1.00 0.00 C ATOM 1194 O PRO A 72 2.277 -14.527 1.962 1.00 0.00 O ATOM 1195 CB PRO A 72 3.983 -17.039 0.738 1.00 0.00 C ATOM 1196 CG PRO A 72 5.309 -17.688 0.553 1.00 0.00 C ATOM 1197 CD PRO A 72 6.168 -17.215 1.691 1.00 0.00 C ATOM 0 HA PRO A 72 4.363 -14.865 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.337 -17.634 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.463 -16.923 -0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.216 -18.774 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.747 -17.413 -0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.138 -17.909 2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.212 -17.120 1.393 1.00 0.00 H new ATOM 1205 N THR A 73 3.275 -15.748 3.564 1.00 0.00 N ATOM 1206 CA THR A 73 2.306 -15.414 4.595 1.00 0.00 C ATOM 1207 C THR A 73 2.458 -13.960 5.038 1.00 0.00 C ATOM 1208 O THR A 73 1.471 -13.236 5.176 1.00 0.00 O ATOM 1209 CB THR A 73 2.468 -16.341 5.809 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.860 -16.497 6.112 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.844 -17.700 5.538 1.00 0.00 C ATOM 0 H THR A 73 4.017 -16.375 3.876 1.00 0.00 H new ATOM 0 HA THR A 73 1.311 -15.549 4.171 1.00 0.00 H new ATOM 0 HB THR A 73 1.956 -15.892 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.962 -17.087 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.971 -18.339 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.781 -17.577 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.332 -18.159 4.678 1.00 0.00 H new ATOM 1219 N ARG A 74 3.704 -13.541 5.242 1.00 0.00 N ATOM 1220 CA ARG A 74 4.009 -12.161 5.597 1.00 0.00 C ATOM 1221 C ARG A 74 3.533 -11.221 4.495 1.00 0.00 C ATOM 1222 O ARG A 74 2.911 -10.191 4.762 1.00 0.00 O ATOM 1223 CB ARG A 74 5.516 -11.992 5.810 1.00 0.00 C ATOM 1224 CG ARG A 74 5.925 -10.594 6.250 1.00 0.00 C ATOM 1225 CD ARG A 74 5.428 -10.283 7.649 1.00 0.00 C ATOM 1226 NE ARG A 74 6.070 -11.126 8.656 1.00 0.00 N ATOM 1227 CZ ARG A 74 5.418 -11.737 9.646 1.00 0.00 C ATOM 1228 NH1 ARG A 74 4.101 -11.596 9.760 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.086 -12.477 10.522 1.00 0.00 N ATOM 0 H ARG A 74 4.523 -14.144 5.166 1.00 0.00 H new ATOM 0 HA ARG A 74 3.491 -11.914 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.850 -12.710 6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.033 -12.236 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.011 -10.506 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.526 -9.860 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.620 -9.235 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.348 -10.426 7.691 1.00 0.00 H new ATOM 0 HE ARG A 74 7.080 -11.255 8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.590 -11.021 9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.602 -12.063 10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.097 -12.578 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.588 -12.945 11.279 1.00 0.00 H new ATOM 1243 N VAL A 75 3.831 -11.598 3.257 1.00 0.00 N ATOM 1244 CA VAL A 75 3.414 -10.829 2.092 1.00 0.00 C ATOM 1245 C VAL A 75 1.889 -10.797 1.976 1.00 0.00 C ATOM 1246 O VAL A 75 1.303 -9.786 1.583 1.00 0.00 O ATOM 1247 CB VAL A 75 4.016 -11.423 0.797 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.562 -10.643 -0.428 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.536 -11.447 0.877 1.00 0.00 C ATOM 0 H VAL A 75 4.364 -12.438 3.034 1.00 0.00 H new ATOM 0 HA VAL A 75 3.781 -9.811 2.222 1.00 0.00 H new ATOM 0 HB VAL A 75 3.655 -12.447 0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.001 -11.084 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.475 -10.680 -0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.884 -9.606 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.942 -11.868 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.910 -10.431 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.846 -12.059 1.724 1.00 0.00 H new ATOM 1259 N ARG A 76 1.254 -11.907 2.337 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.195 -12.030 2.253 1.00 0.00 C ATOM 1261 C ARG A 76 -0.880 -11.028 3.174 1.00 0.00 C ATOM 1262 O ARG A 76 -1.909 -10.456 2.819 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.627 -13.453 2.610 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.094 -13.742 2.329 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.448 -15.182 2.665 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.607 -16.133 1.941 1.00 0.00 N ATOM 1267 CZ ARG A 76 -1.556 -17.441 2.199 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -2.354 -17.978 3.114 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.718 -18.213 1.522 1.00 0.00 N ATOM 0 H ARG A 76 1.725 -12.739 2.693 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.496 -11.814 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.014 -14.159 2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.429 -13.628 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.718 -13.066 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.310 -13.548 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.337 -15.342 3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.495 -15.365 2.422 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.020 -15.773 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.012 -17.390 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.309 -18.979 3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.115 -17.807 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.676 -19.213 1.716 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.300 -10.808 4.351 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.846 -9.842 5.295 1.00 0.00 C ATOM 1285 C TYR A 77 -0.816 -8.443 4.692 1.00 0.00 C ATOM 1286 O TYR A 77 -1.815 -7.723 4.718 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.065 -9.868 6.614 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.600 -8.904 7.652 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.709 -9.231 8.425 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -0.004 -7.665 7.852 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.209 -8.347 9.364 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.495 -6.780 8.793 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.598 -7.125 9.544 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.094 -6.238 10.471 1.00 0.00 O ATOM 0 H TYR A 77 0.544 -11.284 4.671 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.880 -10.114 5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.089 -10.879 7.022 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.980 -9.630 6.413 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.187 -10.190 8.290 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.858 -7.389 7.262 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.074 -8.613 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.017 -5.823 8.939 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.546 -5.425 10.472 1.00 0.00 H new ATOM 1304 N ILE A 78 0.343 -8.070 4.158 1.00 0.00 N ATOM 1305 CA ILE A 78 0.507 -6.802 3.455 1.00 0.00 C ATOM 1306 C ILE A 78 -0.533 -6.651 2.343 1.00 0.00 C ATOM 1307 O ILE A 78 -1.053 -5.563 2.119 1.00 0.00 O ATOM 1308 CB ILE A 78 1.925 -6.677 2.849 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.987 -6.959 3.918 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.136 -5.293 2.241 1.00 0.00 C ATOM 1311 CD1 ILE A 78 2.872 -6.076 5.145 1.00 0.00 C ATOM 0 H ILE A 78 1.191 -8.635 4.200 1.00 0.00 H new ATOM 0 HA ILE A 78 0.364 -6.008 4.188 1.00 0.00 H new ATOM 0 HB ILE A 78 2.023 -7.416 2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.912 -8.002 4.225 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.975 -6.826 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.140 -5.229 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.402 -5.126 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.017 -4.534 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.657 -6.336 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.978 -5.031 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.898 -6.225 5.611 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.842 -7.749 1.662 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.839 -7.732 0.593 1.00 0.00 C ATOM 1325 C HIS A 79 -3.214 -7.342 1.138 1.00 0.00 C ATOM 1326 O HIS A 79 -3.927 -6.537 0.539 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.916 -9.105 -0.089 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.735 -9.121 -1.347 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -4.084 -9.410 -1.374 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.380 -8.895 -2.633 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.517 -9.361 -2.619 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.503 -9.050 -3.400 1.00 0.00 N ATOM 0 H HIS A 79 -0.418 -8.662 1.829 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.534 -6.988 -0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.905 -9.440 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.336 -9.825 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.393 -8.639 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.531 -9.545 -2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.547 -8.942 -4.413 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.571 -7.916 2.278 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.865 -7.657 2.900 1.00 0.00 C ATOM 1343 C VAL A 80 -4.939 -6.229 3.440 1.00 0.00 C ATOM 1344 O VAL A 80 -5.917 -5.515 3.211 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.148 -8.653 4.048 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.515 -8.394 4.664 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -5.049 -10.088 3.554 1.00 0.00 C ATOM 0 H VAL A 80 -2.980 -8.568 2.795 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.622 -7.787 2.127 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.392 -8.503 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.692 -9.107 5.469 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.548 -7.380 5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.285 -8.509 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.252 -10.771 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.778 -10.251 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.046 -10.272 3.169 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.892 -5.807 4.138 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.878 -4.488 4.754 1.00 0.00 C ATOM 1359 C VAL A 81 -3.784 -3.384 3.697 1.00 0.00 C ATOM 1360 O VAL A 81 -4.327 -2.293 3.878 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.734 -4.351 5.787 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.370 -4.350 5.118 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.923 -3.100 6.625 1.00 0.00 C ATOM 0 H VAL A 81 -3.046 -6.356 4.291 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.822 -4.373 5.286 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.774 -5.221 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.593 -4.252 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.231 -5.284 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.306 -3.513 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.110 -3.019 7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.921 -2.224 5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.874 -3.157 7.155 1.00 0.00 H new ATOM 1373 N LEU A 82 -3.122 -3.678 2.582 1.00 0.00 N ATOM 1374 CA LEU A 82 -3.028 -2.723 1.486 1.00 0.00 C ATOM 1375 C LEU A 82 -4.395 -2.559 0.833 1.00 0.00 C ATOM 1376 O LEU A 82 -4.756 -1.477 0.371 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.998 -3.186 0.455 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.586 -2.130 -0.571 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.919 -0.950 0.119 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.654 -2.731 -1.606 1.00 0.00 C ATOM 0 H LEU A 82 -2.646 -4.565 2.415 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.702 -1.761 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.106 -3.525 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.401 -4.048 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.483 -1.774 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.632 -0.208 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.615 -0.502 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.031 -1.293 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.371 -1.966 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.240 -3.113 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.161 -3.547 -2.122 1.00 0.00 H new ATOM 1392 N HIS A 83 -5.159 -3.646 0.821 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.531 -3.621 0.333 1.00 0.00 C ATOM 1394 C HIS A 83 -7.360 -2.653 1.169 1.00 0.00 C ATOM 1395 O HIS A 83 -8.187 -1.915 0.639 1.00 0.00 O ATOM 1396 CB HIS A 83 -7.135 -5.030 0.388 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.579 -5.102 -0.017 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -9.164 -5.017 -1.233 1.00 0.00 N flip ATOM 1399 CD2 HIS A 83 -9.602 -5.310 0.881 1.00 0.00 C flip ATOM 1400 CE1 HIS A 83 -10.515 -5.178 -1.052 1.00 0.00 C flip ATOM 1401 NE2 HIS A 83 -10.751 -5.353 0.234 1.00 0.00 N flip ATOM 0 H HIS A 83 -4.847 -4.561 1.146 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.536 -3.282 -0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.555 -5.686 -0.261 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.035 -5.416 1.403 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.688 -4.862 -2.122 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.482 -5.421 1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.261 -5.164 -1.833 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.117 -2.661 2.476 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.790 -1.753 3.401 1.00 0.00 C ATOM 1412 C GLU A 84 -7.504 -0.296 3.032 1.00 0.00 C ATOM 1413 O GLU A 84 -8.415 0.529 2.952 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.323 -2.032 4.834 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.948 -1.127 5.884 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.436 -1.364 6.046 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -9.831 -2.512 6.344 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.217 -0.410 5.879 1.00 0.00 O ATOM 0 H GLU A 84 -6.452 -3.293 2.923 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.865 -1.921 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.551 -3.068 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.239 -1.925 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.452 -1.290 6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.777 -0.086 5.609 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.233 0.006 2.794 1.00 0.00 N ATOM 1426 CA ALA A 85 -5.811 1.364 2.470 1.00 0.00 C ATOM 1427 C ALA A 85 -6.385 1.823 1.131 1.00 0.00 C ATOM 1428 O ALA A 85 -7.006 2.884 1.040 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.292 1.451 2.451 1.00 0.00 C ATOM 0 H ALA A 85 -5.474 -0.674 2.819 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.197 2.029 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.989 2.469 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.900 1.180 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.898 0.766 1.700 1.00 0.00 H new ATOM 1435 N MET A 86 -6.190 1.010 0.101 1.00 0.00 N ATOM 1436 CA MET A 86 -6.611 1.365 -1.252 1.00 0.00 C ATOM 1437 C MET A 86 -8.126 1.502 -1.363 1.00 0.00 C ATOM 1438 O MET A 86 -8.617 2.329 -2.130 1.00 0.00 O ATOM 1439 CB MET A 86 -6.089 0.345 -2.267 1.00 0.00 C ATOM 1440 CG MET A 86 -4.723 0.700 -2.834 1.00 0.00 C ATOM 1441 SD MET A 86 -3.472 0.943 -1.558 1.00 0.00 S ATOM 1442 CE MET A 86 -2.082 1.491 -2.546 1.00 0.00 C ATOM 0 H MET A 86 -5.742 0.097 0.175 1.00 0.00 H new ATOM 0 HA MET A 86 -6.178 2.339 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.033 -0.634 -1.791 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.803 0.261 -3.086 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.398 -0.093 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.808 1.609 -3.430 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.227 1.683 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.822 0.718 -3.269 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.349 2.406 -3.074 1.00 0.00 H new ATOM 1452 N SER A 87 -8.868 0.710 -0.598 1.00 0.00 N ATOM 1453 CA SER A 87 -10.325 0.803 -0.613 1.00 0.00 C ATOM 1454 C SER A 87 -10.781 2.164 -0.087 1.00 0.00 C ATOM 1455 O SER A 87 -11.678 2.789 -0.655 1.00 0.00 O ATOM 1456 CB SER A 87 -10.951 -0.322 0.212 1.00 0.00 C ATOM 1457 OG SER A 87 -10.594 -1.590 -0.314 1.00 0.00 O ATOM 0 H SER A 87 -8.492 0.004 0.034 1.00 0.00 H new ATOM 0 HA SER A 87 -10.660 0.698 -1.645 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.621 -0.247 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.036 -0.217 0.215 1.00 0.00 H new ATOM 0 HG SER A 87 -9.624 -1.713 -0.242 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.133 2.628 0.978 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.439 3.932 1.558 1.00 0.00 C ATOM 1465 C GLN A 88 -10.170 5.048 0.554 1.00 0.00 C ATOM 1466 O GLN A 88 -10.953 5.989 0.438 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.618 4.155 2.828 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.039 3.271 3.993 1.00 0.00 C ATOM 1469 CD GLN A 88 -9.148 3.448 5.200 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -9.390 4.309 6.048 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -8.115 2.628 5.293 1.00 0.00 N ATOM 0 H GLN A 88 -9.391 2.119 1.458 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.498 3.950 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.566 3.972 2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.704 5.200 3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.068 3.502 4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.019 2.227 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.952 1.929 4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.482 2.694 6.090 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.063 4.932 -0.171 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.729 5.900 -1.211 1.00 0.00 C ATOM 1482 C ALA A 89 -9.743 5.825 -2.348 1.00 0.00 C ATOM 1483 O ALA A 89 -10.217 6.847 -2.847 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.320 5.652 -1.735 1.00 0.00 C ATOM 0 H ALA A 89 -8.383 4.180 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.765 6.901 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.086 6.382 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.605 5.749 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.259 4.647 -2.153 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.075 4.600 -2.734 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.062 4.342 -3.779 1.00 0.00 C ATOM 1492 C ARG A 90 -12.388 5.032 -3.466 1.00 0.00 C ATOM 1493 O ARG A 90 -12.894 5.824 -4.261 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.281 2.834 -3.905 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.325 2.441 -4.934 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.723 0.984 -4.773 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.268 0.711 -3.440 1.00 0.00 N ATOM 1498 CZ ARG A 90 -14.225 -0.185 -3.190 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -14.744 -0.914 -4.173 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.666 -0.362 -1.948 1.00 0.00 N ATOM 0 H ARG A 90 -9.668 3.755 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.685 4.744 -4.720 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.334 2.361 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.578 2.439 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.204 3.076 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.933 2.606 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.464 0.724 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.854 0.349 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.892 1.240 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.411 -0.791 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.475 -1.596 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.273 0.188 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.398 -1.047 -1.759 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.921 4.753 -2.286 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.224 5.267 -1.876 1.00 0.00 C ATOM 1516 C GLU A 91 -14.153 6.735 -1.468 1.00 0.00 C ATOM 1517 O GLU A 91 -15.110 7.291 -0.930 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.762 4.414 -0.734 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.088 2.994 -1.168 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.233 2.031 -0.011 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.328 1.953 0.580 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.254 1.319 0.289 1.00 0.00 O ATOM 0 H GLU A 91 -12.466 4.166 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.902 5.209 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.027 4.384 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.659 4.881 -0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.014 3.001 -1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.302 2.636 -1.833 1.00 0.00 H new ATOM 1529 N SER A 92 -13.012 7.356 -1.721 1.00 0.00 N ATOM 1530 CA SER A 92 -12.848 8.781 -1.505 1.00 0.00 C ATOM 1531 C SER A 92 -12.544 9.474 -2.833 1.00 0.00 C ATOM 1532 O SER A 92 -12.211 10.660 -2.873 1.00 0.00 O ATOM 1533 CB SER A 92 -11.731 9.030 -0.494 1.00 0.00 C ATOM 1534 OG SER A 92 -12.024 8.408 0.749 1.00 0.00 O ATOM 0 H SER A 92 -12.179 6.888 -2.080 1.00 0.00 H new ATOM 0 HA SER A 92 -13.773 9.195 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.789 8.645 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.601 10.102 -0.347 1.00 0.00 H new ATOM 0 HG SER A 92 -11.862 7.444 0.679 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.648 8.711 -3.920 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.449 9.260 -5.247 1.00 0.00 C ATOM 1542 C GLY A 93 -10.990 9.508 -5.568 1.00 0.00 C ATOM 1543 O GLY A 93 -10.669 10.179 -6.548 1.00 0.00 O ATOM 0 H GLY A 93 -12.868 7.715 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.867 8.575 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.999 10.197 -5.334 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.107 8.964 -4.747 1.00 0.00 N ATOM 1548 CA LEU A 94 -8.677 9.159 -4.931 1.00 0.00 C ATOM 1549 C LEU A 94 -8.085 8.027 -5.758 1.00 0.00 C ATOM 1550 O LEU A 94 -6.986 8.143 -6.292 1.00 0.00 O ATOM 1551 CB LEU A 94 -7.976 9.240 -3.577 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.504 10.328 -2.642 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.823 10.238 -1.291 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.296 11.707 -3.252 1.00 0.00 C ATOM 0 H LEU A 94 -10.355 8.383 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.524 10.097 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.070 8.276 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.913 9.410 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.574 10.173 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.209 11.019 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.021 9.262 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.748 10.368 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.678 12.467 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.232 11.873 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.828 11.769 -4.201 1.00 0.00 H new ATOM 1566 N LEU A 95 -8.824 6.933 -5.850 1.00 0.00 N ATOM 1567 CA LEU A 95 -8.413 5.795 -6.650 1.00 0.00 C ATOM 1568 C LEU A 95 -9.635 5.185 -7.327 1.00 0.00 C ATOM 1569 O LEU A 95 -10.616 4.852 -6.669 1.00 0.00 O ATOM 1570 CB LEU A 95 -7.707 4.759 -5.774 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.034 3.612 -6.529 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.069 4.148 -7.573 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.306 2.704 -5.554 1.00 0.00 C ATOM 0 H LEU A 95 -9.719 6.811 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.711 6.125 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.953 5.269 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.435 4.338 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.804 3.036 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.602 3.315 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.612 4.768 -8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.300 4.746 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.830 1.890 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.547 3.276 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.018 2.293 -4.839 1.00 0.00 H new ATOM 1585 N LEU A 96 -9.573 5.059 -8.642 1.00 0.00 N ATOM 1586 CA LEU A 96 -10.720 4.611 -9.430 1.00 0.00 C ATOM 1587 C LEU A 96 -10.898 3.096 -9.382 1.00 0.00 C ATOM 1588 O LEU A 96 -11.977 2.580 -9.685 1.00 0.00 O ATOM 1589 CB LEU A 96 -10.580 5.069 -10.891 1.00 0.00 C ATOM 1590 CG LEU A 96 -9.466 4.397 -11.714 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -9.623 4.743 -13.185 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -8.082 4.821 -11.235 1.00 0.00 C ATOM 0 H LEU A 96 -8.739 5.261 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.606 5.065 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.530 4.896 -11.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.408 6.145 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.558 3.320 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.830 4.263 -13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.592 4.391 -13.540 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.560 5.824 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.321 4.327 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.978 5.902 -11.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.956 4.538 -10.190 1.00 0.00 H new ATOM 1604 N GLN A 97 -9.850 2.382 -9.000 1.00 0.00 N ATOM 1605 CA GLN A 97 -9.866 0.924 -9.035 1.00 0.00 C ATOM 1606 C GLN A 97 -9.326 0.337 -7.738 1.00 0.00 C ATOM 1607 O GLN A 97 -8.765 1.053 -6.914 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.017 0.419 -10.207 1.00 0.00 C ATOM 1609 CG GLN A 97 -7.536 0.753 -10.073 1.00 0.00 C ATOM 1610 CD GLN A 97 -6.696 0.204 -11.209 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.027 -0.820 -11.807 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -5.590 0.867 -11.498 1.00 0.00 N ATOM 0 H GLN A 97 -8.977 2.787 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.900 0.604 -9.160 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.132 -0.662 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.396 0.851 -11.133 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.416 1.836 -10.031 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.164 0.355 -9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.351 1.712 -10.979 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.975 0.534 -12.240 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.505 -0.965 -7.560 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.839 -1.679 -6.478 1.00 0.00 C ATOM 1623 C ASN A 98 -7.739 -2.571 -7.050 1.00 0.00 C ATOM 1624 O ASN A 98 -7.982 -3.694 -7.488 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.833 -2.480 -5.612 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.905 -3.247 -6.387 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -12.033 -3.379 -5.916 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.570 -3.789 -7.547 1.00 0.00 N ATOM 0 H ASN A 98 -10.103 -1.546 -8.148 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.383 -0.945 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.271 -3.189 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.327 -1.793 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.255 -4.332 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.627 -3.664 -7.915 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.501 -2.069 -7.063 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.380 -2.745 -7.713 1.00 0.00 C ATOM 1637 C PRO A 99 -4.957 -4.014 -6.982 1.00 0.00 C ATOM 1638 O PRO A 99 -4.343 -4.898 -7.572 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.251 -1.705 -7.682 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.896 -0.420 -7.280 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.087 -0.801 -6.455 1.00 0.00 C ATOM 0 HA PRO A 99 -5.642 -3.072 -8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.474 -1.992 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.774 -1.615 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.207 0.201 -6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.195 0.158 -8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.830 -0.920 -5.402 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.875 -0.049 -6.508 1.00 0.00 H new ATOM 1649 N THR A 100 -5.311 -4.104 -5.706 1.00 0.00 N ATOM 1650 CA THR A 100 -4.923 -5.237 -4.876 1.00 0.00 C ATOM 1651 C THR A 100 -5.512 -6.546 -5.396 1.00 0.00 C ATOM 1652 O THR A 100 -4.852 -7.585 -5.373 1.00 0.00 O ATOM 1653 CB THR A 100 -5.374 -5.025 -3.421 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.773 -4.710 -3.388 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.573 -3.908 -2.763 1.00 0.00 C ATOM 0 H THR A 100 -5.869 -3.401 -5.221 1.00 0.00 H new ATOM 0 HA THR A 100 -3.836 -5.304 -4.917 1.00 0.00 H new ATOM 0 HB THR A 100 -5.197 -5.946 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.295 -5.539 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.909 -3.776 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.514 -4.168 -2.768 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.721 -2.980 -3.315 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.740 -6.480 -5.893 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.464 -7.678 -6.304 1.00 0.00 C ATOM 1665 C GLU A 101 -6.884 -8.252 -7.592 1.00 0.00 C ATOM 1666 O GLU A 101 -7.100 -9.422 -7.918 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.950 -7.360 -6.482 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.555 -6.624 -5.296 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.248 -7.291 -3.968 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.017 -8.179 -3.550 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -8.238 -6.920 -3.335 1.00 0.00 O ATOM 0 H GLU A 101 -7.257 -5.610 -6.022 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.355 -8.429 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.080 -6.756 -7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.497 -8.289 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.178 -5.601 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.636 -6.563 -5.425 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.144 -7.428 -8.317 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.472 -7.871 -9.528 1.00 0.00 C ATOM 1680 C ALA A 102 -3.978 -8.032 -9.279 1.00 0.00 C ATOM 1681 O ALA A 102 -3.243 -8.542 -10.129 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.724 -6.891 -10.665 1.00 0.00 C ATOM 0 H ALA A 102 -5.993 -6.446 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.878 -8.841 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.214 -7.238 -11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.795 -6.825 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.344 -5.907 -10.389 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.538 -7.623 -8.096 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.128 -7.660 -7.747 1.00 0.00 C ATOM 1690 C ALA A 103 -1.757 -9.002 -7.151 1.00 0.00 C ATOM 1691 O ALA A 103 -1.966 -9.257 -5.964 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.784 -6.539 -6.783 1.00 0.00 C ATOM 0 H ALA A 103 -4.143 -7.260 -7.360 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.550 -7.519 -8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.724 -6.585 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.006 -5.578 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.375 -6.647 -5.873 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.232 -9.861 -7.999 1.00 0.00 N ATOM 1699 CA LYS A 104 -0.816 -11.189 -7.605 1.00 0.00 C ATOM 1700 C LYS A 104 0.596 -11.452 -8.110 1.00 0.00 C ATOM 1701 O LYS A 104 0.883 -11.221 -9.283 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.789 -12.223 -8.171 1.00 0.00 C ATOM 1703 CG LYS A 104 -2.113 -11.992 -9.639 1.00 0.00 C ATOM 1704 CD LYS A 104 -3.083 -13.025 -10.183 1.00 0.00 C ATOM 1705 CE LYS A 104 -3.519 -12.660 -11.591 1.00 0.00 C ATOM 1706 NZ LYS A 104 -4.238 -11.357 -11.620 1.00 0.00 N ATOM 0 H LYS A 104 -1.081 -9.656 -8.987 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.820 -11.266 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.363 -13.219 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.713 -12.200 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.539 -10.996 -9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -1.192 -12.019 -10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.612 -14.008 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.955 -13.091 -9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.646 -12.609 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.166 -13.443 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.819 -11.300 -12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.851 -11.280 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.547 -10.579 -11.616 1.00 0.00 H new