USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 867 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 72 THR OG1 : rot 33:sc= 0.201 USER MOD Set 1.2: A 89 SER OG : rot 67:sc= 0.806 USER MOD Single : A 1 VAL N :NH3+ 167:sc= -1.13 (180deg=-1.26) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.1 K(o=-1.1,f=-7.9!) USER MOD Single : A 27 SER OG : rot 82:sc= 1.26 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 51 THR OG1 : rot -61:sc= -1.48 USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.128) USER MOD Single : A 66 SER OG : rot -56:sc= 0.261 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= 0.0982 (180deg=0.0685) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.772 X(o=-0.77,f=-0.5) USER MOD Single : A 98 HIS : no HD1:sc= -0.585 X(o=-0.58,f=-0.33) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 22.506 -2.546 -3.501 1.00 0.00 N ATOM 2 CA VAL A 1 22.822 -3.890 -2.940 1.00 0.00 C ATOM 3 C VAL A 1 21.587 -4.452 -2.235 1.00 0.00 C ATOM 4 O VAL A 1 21.625 -4.790 -1.069 1.00 0.00 O ATOM 5 CB VAL A 1 23.970 -3.768 -1.936 1.00 0.00 C ATOM 6 CG1 VAL A 1 25.242 -3.323 -2.663 1.00 0.00 C ATOM 7 CG2 VAL A 1 23.605 -2.732 -0.871 1.00 0.00 C ATOM 0 H1 VAL A 1 23.387 -2.072 -3.783 1.00 0.00 H new ATOM 0 H2 VAL A 1 21.889 -2.653 -4.332 1.00 0.00 H new ATOM 0 H3 VAL A 1 22.020 -1.974 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 1 23.116 -4.560 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 1 24.142 -4.735 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 1 26.059 -3.236 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 1 25.503 -4.059 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 1 25.071 -2.356 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 1 24.422 -2.643 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 1 23.433 -1.766 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 1 22.700 -3.047 -0.352 1.00 0.00 H new ATOM 19 N THR A 2 20.489 -4.552 -2.933 1.00 0.00 N ATOM 20 CA THR A 2 19.252 -5.091 -2.303 1.00 0.00 C ATOM 21 C THR A 2 19.072 -4.469 -0.917 1.00 0.00 C ATOM 22 O THR A 2 19.246 -5.120 0.093 1.00 0.00 O ATOM 23 CB THR A 2 19.368 -6.611 -2.167 1.00 0.00 C ATOM 24 OG1 THR A 2 20.618 -7.037 -2.689 1.00 0.00 O ATOM 25 CG2 THR A 2 18.234 -7.283 -2.942 1.00 0.00 C ATOM 0 H THR A 2 20.396 -4.283 -3.913 1.00 0.00 H new ATOM 0 HA THR A 2 18.392 -4.846 -2.926 1.00 0.00 H new ATOM 0 HB THR A 2 19.299 -6.888 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.695 -8.010 -2.601 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.318 -8.365 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.275 -6.956 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.300 -7.008 -3.995 1.00 0.00 H new ATOM 33 N ALA A 3 18.724 -3.213 -0.861 1.00 0.00 N ATOM 34 CA ALA A 3 18.531 -2.553 0.460 1.00 0.00 C ATOM 35 C ALA A 3 17.045 -2.565 0.822 1.00 0.00 C ATOM 36 O ALA A 3 16.565 -1.717 1.547 1.00 0.00 O ATOM 37 CB ALA A 3 19.028 -1.107 0.387 1.00 0.00 C ATOM 0 H ALA A 3 18.565 -2.616 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 3 19.095 -3.091 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.887 -0.624 1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.087 -1.099 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.465 -0.567 -0.374 1.00 0.00 H new ATOM 43 N GLU A 4 16.311 -3.521 0.321 1.00 0.00 N ATOM 44 CA GLU A 4 14.857 -3.587 0.635 1.00 0.00 C ATOM 45 C GLU A 4 14.158 -2.344 0.081 1.00 0.00 C ATOM 46 O GLU A 4 14.793 -1.419 -0.383 1.00 0.00 O ATOM 47 CB GLU A 4 14.666 -3.647 2.152 1.00 0.00 C ATOM 48 CG GLU A 4 15.716 -4.578 2.762 1.00 0.00 C ATOM 49 CD GLU A 4 15.068 -5.434 3.853 1.00 0.00 C ATOM 50 OE1 GLU A 4 14.548 -6.487 3.521 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.102 -5.021 5.000 1.00 0.00 O ATOM 0 H GLU A 4 16.656 -4.259 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 4 14.427 -4.478 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.757 -2.649 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.664 -4.006 2.389 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.143 -5.217 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.535 -3.994 3.182 1.00 0.00 H new ATOM 58 N ILE A 5 12.853 -2.315 0.127 1.00 0.00 N ATOM 59 CA ILE A 5 12.115 -1.131 -0.398 1.00 0.00 C ATOM 60 C ILE A 5 10.965 -0.784 0.548 1.00 0.00 C ATOM 61 O ILE A 5 10.297 -1.654 1.071 1.00 0.00 O ATOM 62 CB ILE A 5 11.558 -1.454 -1.785 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.681 -2.001 -2.670 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.986 -0.183 -2.416 1.00 0.00 C ATOM 65 CD1 ILE A 5 12.184 -2.120 -4.111 1.00 0.00 C ATOM 0 H ILE A 5 12.267 -3.059 0.505 1.00 0.00 H new ATOM 0 HA ILE A 5 12.793 -0.281 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 5 10.769 -2.200 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.547 -1.341 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.005 -2.975 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.589 -0.414 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.187 0.208 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.774 0.564 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.984 -2.509 -4.741 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.331 -2.798 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.882 -1.138 -4.474 1.00 0.00 H new ATOM 77 N ARG A 6 10.726 0.479 0.773 1.00 0.00 N ATOM 78 CA ARG A 6 9.619 0.876 1.687 1.00 0.00 C ATOM 79 C ARG A 6 8.352 1.137 0.871 1.00 0.00 C ATOM 80 O ARG A 6 8.165 2.204 0.321 1.00 0.00 O ATOM 81 CB ARG A 6 10.011 2.147 2.444 1.00 0.00 C ATOM 82 CG ARG A 6 10.279 1.803 3.910 1.00 0.00 C ATOM 83 CD ARG A 6 11.568 0.983 4.015 1.00 0.00 C ATOM 84 NE ARG A 6 12.737 1.856 3.714 1.00 0.00 N ATOM 85 CZ ARG A 6 13.947 1.367 3.762 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.410 0.673 2.760 1.00 0.00 N ATOM 87 NH2 ARG A 6 14.691 1.572 4.815 1.00 0.00 N ATOM 0 H ARG A 6 11.250 1.253 0.363 1.00 0.00 H new ATOM 0 HA ARG A 6 9.432 0.073 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.899 2.591 1.995 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.214 2.887 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 6 10.367 2.716 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.442 1.239 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.663 0.562 5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 6 11.537 0.145 3.318 1.00 0.00 H new ATOM 0 HE ARG A 6 12.592 2.836 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.827 0.512 1.939 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.355 0.291 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 6 14.327 2.114 5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 6 15.636 1.191 4.854 1.00 0.00 H new ATOM 101 N LEU A 7 7.477 0.172 0.793 1.00 0.00 N ATOM 102 CA LEU A 7 6.221 0.365 0.016 1.00 0.00 C ATOM 103 C LEU A 7 5.043 0.509 0.981 1.00 0.00 C ATOM 104 O LEU A 7 5.098 0.069 2.113 1.00 0.00 O ATOM 105 CB LEU A 7 5.989 -0.845 -0.891 1.00 0.00 C ATOM 106 CG LEU A 7 7.031 -0.856 -2.009 1.00 0.00 C ATOM 107 CD1 LEU A 7 8.008 -2.012 -1.785 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.330 -1.038 -3.356 1.00 0.00 C ATOM 0 H LEU A 7 7.578 -0.742 1.234 1.00 0.00 H new ATOM 0 HA LEU A 7 6.307 1.265 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.054 -1.765 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.986 -0.807 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 7 7.577 0.088 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.751 -2.020 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.508 -1.885 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.462 -2.956 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.072 -1.046 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.785 -1.982 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.633 -0.216 -3.517 1.00 0.00 H new ATOM 120 N TYR A 8 3.977 1.120 0.544 1.00 0.00 N ATOM 121 CA TYR A 8 2.796 1.288 1.437 1.00 0.00 C ATOM 122 C TYR A 8 1.564 0.673 0.770 1.00 0.00 C ATOM 123 O TYR A 8 1.161 1.075 -0.303 1.00 0.00 O ATOM 124 CB TYR A 8 2.552 2.778 1.684 1.00 0.00 C ATOM 125 CG TYR A 8 1.613 2.944 2.855 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.821 2.209 4.030 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.533 3.833 2.767 1.00 0.00 C ATOM 128 CE1 TYR A 8 0.949 2.363 5.116 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.339 3.986 3.854 1.00 0.00 C ATOM 130 CZ TYR A 8 -0.131 3.251 5.028 1.00 0.00 C ATOM 131 OH TYR A 8 -0.989 3.402 6.098 1.00 0.00 O ATOM 0 H TYR A 8 3.872 1.510 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 8 2.983 0.788 2.388 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.496 3.284 1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.126 3.241 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.653 1.524 4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.373 4.400 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.110 1.797 6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.171 4.671 3.786 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.682 4.056 5.871 1.00 0.00 H new ATOM 141 N ILE A 9 0.962 -0.300 1.397 1.00 0.00 N ATOM 142 CA ILE A 9 -0.242 -0.939 0.798 1.00 0.00 C ATOM 143 C ILE A 9 -1.474 -0.594 1.636 1.00 0.00 C ATOM 144 O ILE A 9 -1.462 -0.699 2.846 1.00 0.00 O ATOM 145 CB ILE A 9 -0.054 -2.456 0.770 1.00 0.00 C ATOM 146 CG1 ILE A 9 1.345 -2.787 0.243 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.104 -3.084 -0.148 1.00 0.00 C ATOM 148 CD1 ILE A 9 1.606 -4.286 0.396 1.00 0.00 C ATOM 0 H ILE A 9 1.252 -0.680 2.298 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.380 -0.571 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.168 -2.854 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.429 -2.498 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.096 -2.218 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.970 -4.166 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.101 -2.849 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.991 -2.686 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.602 -4.522 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.540 -4.561 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.862 -4.845 -0.172 1.00 0.00 H new ATOM 160 N THR A 10 -2.538 -0.184 1.002 1.00 0.00 N ATOM 161 CA THR A 10 -3.771 0.167 1.760 1.00 0.00 C ATOM 162 C THR A 10 -4.219 -1.038 2.592 1.00 0.00 C ATOM 163 O THR A 10 -3.461 -1.958 2.825 1.00 0.00 O ATOM 164 CB THR A 10 -4.880 0.551 0.779 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.299 0.938 -0.459 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.691 1.714 1.349 1.00 0.00 C ATOM 0 H THR A 10 -2.606 -0.077 -0.010 1.00 0.00 H new ATOM 0 HA THR A 10 -3.564 1.008 2.422 1.00 0.00 H new ATOM 0 HB THR A 10 -5.539 -0.303 0.623 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.007 1.183 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.480 1.985 0.648 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.136 1.417 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.036 2.571 1.508 1.00 0.00 H new ATOM 174 N GLU A 11 -5.445 -1.040 3.039 1.00 0.00 N ATOM 175 CA GLU A 11 -5.940 -2.185 3.854 1.00 0.00 C ATOM 176 C GLU A 11 -7.410 -2.451 3.517 1.00 0.00 C ATOM 177 O GLU A 11 -8.114 -1.580 3.047 1.00 0.00 O ATOM 178 CB GLU A 11 -5.809 -1.851 5.341 1.00 0.00 C ATOM 179 CG GLU A 11 -6.035 -0.351 5.550 1.00 0.00 C ATOM 180 CD GLU A 11 -5.979 -0.029 7.044 1.00 0.00 C ATOM 181 OE1 GLU A 11 -4.882 0.118 7.559 1.00 0.00 O ATOM 182 OE2 GLU A 11 -7.033 0.065 7.651 1.00 0.00 O ATOM 0 H GLU A 11 -6.125 -0.298 2.875 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.348 -3.073 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.536 -2.423 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.820 -2.134 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.276 0.220 5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.001 -0.058 5.140 1.00 0.00 H new ATOM 189 N GLY A 12 -7.879 -3.646 3.754 1.00 0.00 N ATOM 190 CA GLY A 12 -9.303 -3.956 3.442 1.00 0.00 C ATOM 191 C GLY A 12 -9.644 -5.370 3.917 1.00 0.00 C ATOM 192 O GLY A 12 -8.840 -6.041 4.534 1.00 0.00 O ATOM 0 H GLY A 12 -7.341 -4.417 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.957 -3.232 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.476 -3.872 2.369 1.00 0.00 H new ATOM 196 N GLU A 13 -10.833 -5.826 3.633 1.00 0.00 N ATOM 197 CA GLU A 13 -11.237 -7.194 4.064 1.00 0.00 C ATOM 198 C GLU A 13 -12.048 -7.854 2.947 1.00 0.00 C ATOM 199 O GLU A 13 -13.021 -8.540 3.193 1.00 0.00 O ATOM 200 CB GLU A 13 -12.097 -7.097 5.327 1.00 0.00 C ATOM 201 CG GLU A 13 -11.785 -8.276 6.251 1.00 0.00 C ATOM 202 CD GLU A 13 -11.986 -7.850 7.706 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.935 -7.129 7.966 1.00 0.00 O ATOM 204 OE2 GLU A 13 -11.186 -8.251 8.537 1.00 0.00 O ATOM 0 H GLU A 13 -11.545 -5.308 3.119 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.349 -7.789 4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.901 -6.156 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.154 -7.100 5.061 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.434 -9.119 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.759 -8.611 6.097 1.00 0.00 H new ATOM 211 N VAL A 14 -11.657 -7.648 1.719 1.00 0.00 N ATOM 212 CA VAL A 14 -12.406 -8.258 0.586 1.00 0.00 C ATOM 213 C VAL A 14 -11.509 -9.263 -0.139 1.00 0.00 C ATOM 214 O VAL A 14 -10.426 -9.581 0.311 1.00 0.00 O ATOM 215 CB VAL A 14 -12.832 -7.159 -0.389 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.967 -6.341 0.229 1.00 0.00 C ATOM 217 CG2 VAL A 14 -11.640 -6.242 -0.674 1.00 0.00 C ATOM 0 H VAL A 14 -10.851 -7.083 1.452 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.289 -8.771 0.967 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.175 -7.611 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.271 -5.558 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.816 -6.993 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.624 -5.888 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.942 -5.458 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.298 -5.790 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.830 -6.824 -1.113 1.00 0.00 H new ATOM 227 N GLU A 15 -11.953 -9.768 -1.258 1.00 0.00 N ATOM 228 CA GLU A 15 -11.127 -10.755 -2.010 1.00 0.00 C ATOM 229 C GLU A 15 -10.127 -10.013 -2.900 1.00 0.00 C ATOM 230 O GLU A 15 -9.230 -10.604 -3.467 1.00 0.00 O ATOM 231 CB GLU A 15 -12.038 -11.624 -2.880 1.00 0.00 C ATOM 232 CG GLU A 15 -11.853 -13.096 -2.503 1.00 0.00 C ATOM 233 CD GLU A 15 -11.080 -13.813 -3.609 1.00 0.00 C ATOM 234 OE1 GLU A 15 -11.455 -13.664 -4.761 1.00 0.00 O ATOM 235 OE2 GLU A 15 -10.125 -14.502 -3.287 1.00 0.00 O ATOM 0 H GLU A 15 -12.851 -9.540 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.586 -11.387 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.079 -11.330 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.802 -11.475 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.315 -13.175 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.824 -13.570 -2.358 1.00 0.00 H new ATOM 242 N ASP A 16 -10.275 -8.723 -3.030 1.00 0.00 N ATOM 243 CA ASP A 16 -9.332 -7.946 -3.884 1.00 0.00 C ATOM 244 C ASP A 16 -8.007 -7.753 -3.144 1.00 0.00 C ATOM 245 O ASP A 16 -7.014 -8.378 -3.456 1.00 0.00 O ATOM 246 CB ASP A 16 -9.939 -6.578 -4.202 1.00 0.00 C ATOM 247 CG ASP A 16 -11.301 -6.765 -4.873 1.00 0.00 C ATOM 248 OD1 ASP A 16 -11.630 -7.894 -5.198 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.993 -5.777 -5.049 1.00 0.00 O ATOM 0 H ASP A 16 -11.008 -8.173 -2.582 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.154 -8.491 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.050 -5.996 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.273 -6.017 -4.858 1.00 0.00 H new ATOM 254 N TYR A 17 -7.981 -6.888 -2.167 1.00 0.00 N ATOM 255 CA TYR A 17 -6.719 -6.652 -1.411 1.00 0.00 C ATOM 256 C TYR A 17 -6.138 -7.991 -0.949 1.00 0.00 C ATOM 257 O TYR A 17 -4.947 -8.125 -0.747 1.00 0.00 O ATOM 258 CB TYR A 17 -7.012 -5.776 -0.190 1.00 0.00 C ATOM 259 CG TYR A 17 -5.760 -5.629 0.640 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.504 -5.609 0.019 1.00 0.00 C ATOM 261 CD2 TYR A 17 -5.854 -5.511 2.034 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.343 -5.472 0.792 1.00 0.00 C ATOM 263 CE2 TYR A 17 -4.693 -5.374 2.806 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.437 -5.354 2.185 1.00 0.00 C ATOM 265 OH TYR A 17 -2.294 -5.219 2.945 1.00 0.00 O ATOM 0 H TYR A 17 -8.780 -6.334 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.000 -6.149 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.366 -4.796 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.807 -6.222 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.431 -5.699 -1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.822 -5.526 2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.375 -5.457 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.766 -5.284 3.880 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.537 -5.148 3.892 1.00 0.00 H new ATOM 275 N ARG A 18 -6.968 -8.983 -0.781 1.00 0.00 N ATOM 276 CA ARG A 18 -6.461 -10.310 -0.332 1.00 0.00 C ATOM 277 C ARG A 18 -5.697 -10.980 -1.475 1.00 0.00 C ATOM 278 O ARG A 18 -4.494 -11.141 -1.420 1.00 0.00 O ATOM 279 CB ARG A 18 -7.642 -11.194 0.078 1.00 0.00 C ATOM 280 CG ARG A 18 -7.132 -12.366 0.919 1.00 0.00 C ATOM 281 CD ARG A 18 -7.663 -12.239 2.349 1.00 0.00 C ATOM 282 NE ARG A 18 -7.548 -13.554 3.038 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.833 -13.662 4.124 1.00 0.00 C ATOM 284 NH1 ARG A 18 -5.564 -13.956 4.044 1.00 0.00 N ATOM 285 NH2 ARG A 18 -7.386 -13.473 5.290 1.00 0.00 N ATOM 0 H ARG A 18 -7.975 -8.932 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.794 -10.174 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.366 -10.611 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.158 -11.565 -0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.458 -13.310 0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.042 -12.376 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.099 -11.481 2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.703 -11.913 2.335 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.028 -14.371 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.131 -14.101 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.005 -14.040 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.377 -13.241 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.827 -13.557 6.139 1.00 0.00 H new ATOM 299 N VAL A 19 -6.388 -11.375 -2.508 1.00 0.00 N ATOM 300 CA VAL A 19 -5.706 -12.039 -3.655 1.00 0.00 C ATOM 301 C VAL A 19 -4.412 -11.294 -3.991 1.00 0.00 C ATOM 302 O VAL A 19 -3.379 -11.893 -4.210 1.00 0.00 O ATOM 303 CB VAL A 19 -6.631 -12.022 -4.873 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.904 -12.625 -6.076 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.885 -12.845 -4.568 1.00 0.00 C ATOM 0 H VAL A 19 -7.397 -11.267 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.469 -13.068 -3.386 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.915 -10.995 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.564 -12.613 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.010 -12.040 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.619 -13.653 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.546 -12.835 -5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.600 -13.872 -4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.403 -12.415 -3.711 1.00 0.00 H new ATOM 315 N PHE A 20 -4.461 -9.991 -4.039 1.00 0.00 N ATOM 316 CA PHE A 20 -3.235 -9.210 -4.366 1.00 0.00 C ATOM 317 C PHE A 20 -2.153 -9.487 -3.320 1.00 0.00 C ATOM 318 O PHE A 20 -1.001 -9.694 -3.645 1.00 0.00 O ATOM 319 CB PHE A 20 -3.569 -7.717 -4.370 1.00 0.00 C ATOM 320 CG PHE A 20 -2.307 -6.919 -4.589 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.641 -6.985 -5.820 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.800 -6.115 -3.559 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.469 -6.245 -6.022 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.627 -5.376 -3.762 1.00 0.00 C ATOM 325 CZ PHE A 20 0.039 -5.440 -4.993 1.00 0.00 C ATOM 0 H PHE A 20 -5.297 -9.433 -3.866 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.870 -9.506 -5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.292 -7.497 -5.156 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.031 -7.434 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.031 -7.606 -6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.313 -6.065 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.044 -6.295 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.236 -4.756 -2.969 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.943 -4.870 -5.149 1.00 0.00 H new ATOM 335 N LEU A 21 -2.511 -9.489 -2.066 1.00 0.00 N ATOM 336 CA LEU A 21 -1.501 -9.748 -1.001 1.00 0.00 C ATOM 337 C LEU A 21 -0.844 -11.109 -1.235 1.00 0.00 C ATOM 338 O LEU A 21 0.350 -11.269 -1.074 1.00 0.00 O ATOM 339 CB LEU A 21 -2.187 -9.742 0.366 1.00 0.00 C ATOM 340 CG LEU A 21 -1.267 -9.084 1.397 1.00 0.00 C ATOM 341 CD1 LEU A 21 -1.998 -8.971 2.736 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.010 -9.938 1.575 1.00 0.00 C ATOM 0 H LEU A 21 -3.460 -9.322 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.739 -8.969 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.131 -9.201 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.422 -10.762 0.671 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.987 -8.089 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.342 -8.502 3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.895 -8.364 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.278 -9.966 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.646 -9.471 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.292 -10.932 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.512 -10.020 0.622 1.00 0.00 H new ATOM 354 N GLU A 22 -1.613 -12.096 -1.609 1.00 0.00 N ATOM 355 CA GLU A 22 -1.029 -13.445 -1.847 1.00 0.00 C ATOM 356 C GLU A 22 -0.006 -13.369 -2.982 1.00 0.00 C ATOM 357 O GLU A 22 1.081 -13.904 -2.888 1.00 0.00 O ATOM 358 CB GLU A 22 -2.143 -14.422 -2.229 1.00 0.00 C ATOM 359 CG GLU A 22 -2.469 -15.318 -1.032 1.00 0.00 C ATOM 360 CD GLU A 22 -2.843 -16.716 -1.527 1.00 0.00 C ATOM 361 OE1 GLU A 22 -2.847 -16.916 -2.731 1.00 0.00 O ATOM 362 OE2 GLU A 22 -3.118 -17.564 -0.694 1.00 0.00 O ATOM 0 H GLU A 22 -2.619 -12.025 -1.760 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.536 -13.791 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.032 -13.873 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.832 -15.030 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.610 -15.375 -0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.292 -14.892 -0.459 1.00 0.00 H new ATOM 369 N ARG A 23 -0.343 -12.708 -4.056 1.00 0.00 N ATOM 370 CA ARG A 23 0.613 -12.600 -5.195 1.00 0.00 C ATOM 371 C ARG A 23 1.786 -11.704 -4.793 1.00 0.00 C ATOM 372 O ARG A 23 2.831 -11.717 -5.412 1.00 0.00 O ATOM 373 CB ARG A 23 -0.101 -11.993 -6.405 1.00 0.00 C ATOM 374 CG ARG A 23 -0.717 -13.109 -7.249 1.00 0.00 C ATOM 375 CD ARG A 23 -0.663 -12.719 -8.727 1.00 0.00 C ATOM 376 NE ARG A 23 0.583 -13.260 -9.339 1.00 0.00 N ATOM 377 CZ ARG A 23 0.511 -14.035 -10.387 1.00 0.00 C ATOM 378 NH1 ARG A 23 0.312 -15.316 -10.239 1.00 0.00 N ATOM 379 NH2 ARG A 23 0.638 -13.528 -11.582 1.00 0.00 N ATOM 0 H ARG A 23 -1.238 -12.239 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 23 0.985 -13.592 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.877 -11.303 -6.074 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.604 -11.416 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.177 -14.042 -7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.749 -13.282 -6.945 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.536 -13.110 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.689 -11.634 -8.829 1.00 0.00 H new ATOM 0 HE ARG A 23 1.492 -13.025 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.213 -15.712 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.256 -15.921 -11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.793 -12.527 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.582 -14.133 -12.401 1.00 0.00 H new ATOM 393 N LEU A 24 1.622 -10.923 -3.759 1.00 0.00 N ATOM 394 CA LEU A 24 2.730 -10.026 -3.320 1.00 0.00 C ATOM 395 C LEU A 24 3.834 -10.860 -2.666 1.00 0.00 C ATOM 396 O LEU A 24 4.978 -10.820 -3.074 1.00 0.00 O ATOM 397 CB LEU A 24 2.194 -9.010 -2.307 1.00 0.00 C ATOM 398 CG LEU A 24 2.636 -7.603 -2.712 1.00 0.00 C ATOM 399 CD1 LEU A 24 1.819 -6.567 -1.940 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.120 -7.423 -2.388 1.00 0.00 C ATOM 0 H LEU A 24 0.770 -10.867 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 24 3.134 -9.500 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.106 -9.063 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.564 -9.246 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 24 2.476 -7.467 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.135 -5.565 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.761 -6.694 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.978 -6.702 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.436 -6.421 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.278 -7.560 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.705 -8.160 -2.938 1.00 0.00 H new ATOM 412 N GLU A 25 3.502 -11.614 -1.655 1.00 0.00 N ATOM 413 CA GLU A 25 4.533 -12.448 -0.977 1.00 0.00 C ATOM 414 C GLU A 25 5.028 -13.531 -1.939 1.00 0.00 C ATOM 415 O GLU A 25 6.207 -13.810 -2.023 1.00 0.00 O ATOM 416 CB GLU A 25 3.922 -13.105 0.263 1.00 0.00 C ATOM 417 CG GLU A 25 4.068 -12.165 1.462 1.00 0.00 C ATOM 418 CD GLU A 25 2.764 -12.154 2.264 1.00 0.00 C ATOM 419 OE1 GLU A 25 1.814 -12.778 1.823 1.00 0.00 O ATOM 420 OE2 GLU A 25 2.740 -11.521 3.307 1.00 0.00 O ATOM 0 H GLU A 25 2.561 -11.689 -1.269 1.00 0.00 H new ATOM 0 HA GLU A 25 5.371 -11.819 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.870 -13.328 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.419 -14.053 0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.894 -12.491 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.306 -11.158 1.121 1.00 0.00 H new ATOM 427 N GLN A 26 4.135 -14.143 -2.667 1.00 0.00 N ATOM 428 CA GLN A 26 4.554 -15.206 -3.623 1.00 0.00 C ATOM 429 C GLN A 26 5.608 -14.643 -4.580 1.00 0.00 C ATOM 430 O GLN A 26 6.359 -15.376 -5.193 1.00 0.00 O ATOM 431 CB GLN A 26 3.340 -15.679 -4.426 1.00 0.00 C ATOM 432 CG GLN A 26 2.976 -17.106 -4.010 1.00 0.00 C ATOM 433 CD GLN A 26 2.378 -17.090 -2.601 1.00 0.00 C ATOM 434 OE1 GLN A 26 2.794 -16.318 -1.761 1.00 0.00 O ATOM 435 NE2 GLN A 26 1.414 -17.918 -2.306 1.00 0.00 N ATOM 0 H GLN A 26 3.133 -13.953 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 26 4.974 -16.046 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.495 -15.012 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.561 -15.645 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.261 -17.531 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.862 -17.740 -4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.065 -18.566 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.010 -17.917 -1.370 1.00 0.00 H new ATOM 444 N SER A 27 5.668 -13.347 -4.714 1.00 0.00 N ATOM 445 CA SER A 27 6.672 -12.738 -5.633 1.00 0.00 C ATOM 446 C SER A 27 8.076 -12.920 -5.052 1.00 0.00 C ATOM 447 O SER A 27 8.927 -13.549 -5.648 1.00 0.00 O ATOM 448 CB SER A 27 6.378 -11.246 -5.792 1.00 0.00 C ATOM 449 OG SER A 27 5.120 -11.081 -6.434 1.00 0.00 O ATOM 0 H SER A 27 5.066 -12.683 -4.227 1.00 0.00 H new ATOM 0 HA SER A 27 6.615 -13.227 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.368 -10.760 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.164 -10.769 -6.378 1.00 0.00 H new ATOM 0 HG SER A 27 4.402 -11.167 -5.773 1.00 0.00 H new ATOM 455 N GLY A 28 8.325 -12.376 -3.892 1.00 0.00 N ATOM 456 CA GLY A 28 9.675 -12.521 -3.277 1.00 0.00 C ATOM 457 C GLY A 28 10.211 -11.143 -2.886 1.00 0.00 C ATOM 458 O GLY A 28 9.460 -10.225 -2.622 1.00 0.00 O ATOM 0 H GLY A 28 7.653 -11.838 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.618 -13.163 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.356 -13.001 -3.979 1.00 0.00 H new ATOM 462 N LEU A 29 11.506 -10.991 -2.844 1.00 0.00 N ATOM 463 CA LEU A 29 12.092 -9.674 -2.469 1.00 0.00 C ATOM 464 C LEU A 29 11.746 -9.359 -1.012 1.00 0.00 C ATOM 465 O LEU A 29 10.812 -9.900 -0.454 1.00 0.00 O ATOM 466 CB LEU A 29 11.520 -8.585 -3.377 1.00 0.00 C ATOM 467 CG LEU A 29 12.650 -7.668 -3.848 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.834 -7.820 -5.359 1.00 0.00 C ATOM 469 CD2 LEU A 29 12.297 -6.215 -3.521 1.00 0.00 C ATOM 0 H LEU A 29 12.184 -11.723 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 29 13.175 -9.711 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.022 -9.037 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.768 -8.007 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 29 13.575 -7.941 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.639 -7.167 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.085 -8.855 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.909 -7.547 -5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.102 -5.561 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.372 -5.942 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.165 -6.106 -2.444 1.00 0.00 H new ATOM 481 N GLU A 30 12.493 -8.489 -0.388 1.00 0.00 N ATOM 482 CA GLU A 30 12.206 -8.145 1.033 1.00 0.00 C ATOM 483 C GLU A 30 11.740 -6.693 1.128 1.00 0.00 C ATOM 484 O GLU A 30 12.537 -5.778 1.197 1.00 0.00 O ATOM 485 CB GLU A 30 13.476 -8.326 1.867 1.00 0.00 C ATOM 486 CG GLU A 30 13.911 -9.792 1.823 1.00 0.00 C ATOM 487 CD GLU A 30 15.149 -9.929 0.935 1.00 0.00 C ATOM 488 OE1 GLU A 30 15.018 -9.740 -0.263 1.00 0.00 O ATOM 489 OE2 GLU A 30 16.207 -10.223 1.468 1.00 0.00 O ATOM 0 H GLU A 30 13.289 -8.002 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 30 11.422 -8.801 1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.271 -7.688 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.294 -8.020 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.131 -10.148 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.102 -10.411 1.436 1.00 0.00 H new ATOM 496 N TRP A 31 10.455 -6.474 1.142 1.00 0.00 N ATOM 497 CA TRP A 31 9.938 -5.080 1.244 1.00 0.00 C ATOM 498 C TRP A 31 9.251 -4.902 2.599 1.00 0.00 C ATOM 499 O TRP A 31 9.023 -5.855 3.317 1.00 0.00 O ATOM 500 CB TRP A 31 8.936 -4.818 0.116 1.00 0.00 C ATOM 501 CG TRP A 31 7.937 -5.929 0.064 1.00 0.00 C ATOM 502 CD1 TRP A 31 8.142 -7.131 -0.523 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.584 -5.961 0.602 1.00 0.00 C ATOM 504 NE1 TRP A 31 7.002 -7.901 -0.376 1.00 0.00 N ATOM 505 CE2 TRP A 31 6.013 -7.223 0.310 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.805 -5.027 1.310 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.714 -7.545 0.707 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.497 -5.348 1.710 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.954 -6.605 1.410 1.00 0.00 C ATOM 0 H TRP A 31 9.740 -7.199 1.087 1.00 0.00 H new ATOM 0 HA TRP A 31 10.763 -4.373 1.156 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.429 -3.867 0.280 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.459 -4.740 -0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 31 9.048 -7.439 -1.024 1.00 0.00 H new ATOM 0 HE1 TRP A 31 6.904 -8.852 -0.731 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.215 -4.057 1.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.299 -8.514 0.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.907 -4.623 2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 31 2.949 -6.847 1.722 1.00 0.00 H new ATOM 520 N ARG A 32 8.923 -3.692 2.960 1.00 0.00 N ATOM 521 CA ARG A 32 8.255 -3.468 4.274 1.00 0.00 C ATOM 522 C ARG A 32 7.232 -2.336 4.151 1.00 0.00 C ATOM 523 O ARG A 32 7.270 -1.564 3.213 1.00 0.00 O ATOM 524 CB ARG A 32 9.306 -3.089 5.321 1.00 0.00 C ATOM 525 CG ARG A 32 9.902 -4.359 5.929 1.00 0.00 C ATOM 526 CD ARG A 32 11.423 -4.338 5.763 1.00 0.00 C ATOM 527 NE ARG A 32 11.945 -3.001 6.162 1.00 0.00 N ATOM 528 CZ ARG A 32 11.657 -2.510 7.336 1.00 0.00 C ATOM 529 NH1 ARG A 32 11.310 -3.309 8.309 1.00 0.00 N ATOM 530 NH2 ARG A 32 11.713 -1.223 7.538 1.00 0.00 N ATOM 0 H ARG A 32 9.087 -2.852 2.405 1.00 0.00 H new ATOM 0 HA ARG A 32 7.746 -4.383 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.092 -2.489 4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.853 -2.477 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.642 -4.426 6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.484 -5.240 5.441 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.878 -5.116 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.690 -4.551 4.728 1.00 0.00 H new ATOM 0 HE ARG A 32 12.528 -2.469 5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.264 -4.316 8.151 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.085 -2.926 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.982 -0.599 6.778 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.488 -0.841 8.456 1.00 0.00 H new ATOM 544 N PRO A 33 6.344 -2.275 5.112 1.00 0.00 N ATOM 545 CA PRO A 33 5.288 -1.249 5.154 1.00 0.00 C ATOM 546 C PRO A 33 5.859 0.080 5.658 1.00 0.00 C ATOM 547 O PRO A 33 6.357 0.173 6.762 1.00 0.00 O ATOM 548 CB PRO A 33 4.274 -1.820 6.150 1.00 0.00 C ATOM 549 CG PRO A 33 5.048 -2.827 7.032 1.00 0.00 C ATOM 550 CD PRO A 33 6.312 -3.223 6.244 1.00 0.00 C ATOM 0 HA PRO A 33 4.849 -1.042 4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.838 -1.027 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.452 -2.311 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.313 -2.379 7.990 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.436 -3.703 7.248 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.208 -3.139 6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.259 -4.255 5.898 1.00 0.00 H new ATOM 558 N ALA A 34 5.790 1.109 4.858 1.00 0.00 N ATOM 559 CA ALA A 34 6.330 2.427 5.294 1.00 0.00 C ATOM 560 C ALA A 34 5.171 3.370 5.618 1.00 0.00 C ATOM 561 O ALA A 34 4.015 2.996 5.549 1.00 0.00 O ATOM 562 CB ALA A 34 7.179 3.026 4.172 1.00 0.00 C ATOM 0 H ALA A 34 5.383 1.094 3.923 1.00 0.00 H new ATOM 0 HA ALA A 34 6.947 2.292 6.183 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.575 3.991 4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.005 2.353 3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.563 3.162 3.283 1.00 0.00 H new ATOM 568 N THR A 35 5.466 4.590 5.971 1.00 0.00 N ATOM 569 CA THR A 35 4.380 5.555 6.300 1.00 0.00 C ATOM 570 C THR A 35 4.014 6.359 5.048 1.00 0.00 C ATOM 571 O THR A 35 4.669 6.248 4.031 1.00 0.00 O ATOM 572 CB THR A 35 4.858 6.509 7.397 1.00 0.00 C ATOM 573 OG1 THR A 35 6.242 6.297 7.637 1.00 0.00 O ATOM 574 CG2 THR A 35 4.071 6.249 8.682 1.00 0.00 C ATOM 0 H THR A 35 6.413 4.961 6.046 1.00 0.00 H new ATOM 0 HA THR A 35 3.504 5.009 6.650 1.00 0.00 H new ATOM 0 HB THR A 35 4.697 7.539 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.550 6.909 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.413 6.929 9.462 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.009 6.412 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.229 5.220 9.004 1.00 0.00 H new ATOM 582 N PRO A 36 2.977 7.148 5.166 1.00 0.00 N ATOM 583 CA PRO A 36 2.491 7.991 4.060 1.00 0.00 C ATOM 584 C PRO A 36 3.372 9.235 3.913 1.00 0.00 C ATOM 585 O PRO A 36 3.224 10.007 2.986 1.00 0.00 O ATOM 586 CB PRO A 36 1.073 8.372 4.496 1.00 0.00 C ATOM 587 CG PRO A 36 1.033 8.212 6.035 1.00 0.00 C ATOM 588 CD PRO A 36 2.194 7.272 6.412 1.00 0.00 C ATOM 0 HA PRO A 36 2.512 7.488 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.839 9.396 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.334 7.729 4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.142 9.178 6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.078 7.796 6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.796 7.686 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.828 6.303 6.751 1.00 0.00 H new ATOM 596 N GLU A 37 4.291 9.432 4.819 1.00 0.00 N ATOM 597 CA GLU A 37 5.183 10.622 4.733 1.00 0.00 C ATOM 598 C GLU A 37 6.608 10.170 4.405 1.00 0.00 C ATOM 599 O GLU A 37 7.508 10.974 4.270 1.00 0.00 O ATOM 600 CB GLU A 37 5.179 11.360 6.074 1.00 0.00 C ATOM 601 CG GLU A 37 5.247 12.869 5.829 1.00 0.00 C ATOM 602 CD GLU A 37 6.578 13.413 6.349 1.00 0.00 C ATOM 603 OE1 GLU A 37 6.748 13.451 7.557 1.00 0.00 O ATOM 604 OE2 GLU A 37 7.405 13.782 5.532 1.00 0.00 O ATOM 0 H GLU A 37 4.462 8.819 5.616 1.00 0.00 H new ATOM 0 HA GLU A 37 4.824 11.289 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.277 11.113 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.028 11.041 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.147 13.080 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.418 13.367 6.331 1.00 0.00 H new ATOM 611 N ASP A 38 6.821 8.888 4.277 1.00 0.00 N ATOM 612 CA ASP A 38 8.189 8.388 3.958 1.00 0.00 C ATOM 613 C ASP A 38 8.091 6.989 3.345 1.00 0.00 C ATOM 614 O ASP A 38 8.686 6.047 3.828 1.00 0.00 O ATOM 615 CB ASP A 38 9.019 8.325 5.243 1.00 0.00 C ATOM 616 CG ASP A 38 10.376 8.990 5.006 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.417 9.965 4.273 1.00 0.00 O ATOM 618 OD2 ASP A 38 11.353 8.512 5.560 1.00 0.00 O ATOM 0 H ASP A 38 6.108 8.166 4.379 1.00 0.00 H new ATOM 0 HA ASP A 38 8.667 9.063 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.492 8.828 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.158 7.288 5.548 1.00 0.00 H new ATOM 623 N ALA A 39 7.346 6.848 2.283 1.00 0.00 N ATOM 624 CA ALA A 39 7.212 5.510 1.639 1.00 0.00 C ATOM 625 C ALA A 39 7.876 5.542 0.261 1.00 0.00 C ATOM 626 O ALA A 39 7.489 6.298 -0.608 1.00 0.00 O ATOM 627 CB ALA A 39 5.730 5.164 1.484 1.00 0.00 C ATOM 0 H ALA A 39 6.825 7.601 1.833 1.00 0.00 H new ATOM 0 HA ALA A 39 7.696 4.756 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.632 4.186 1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.257 5.143 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.244 5.916 0.863 1.00 0.00 H new ATOM 633 N ASP A 40 8.876 4.727 0.054 1.00 0.00 N ATOM 634 CA ASP A 40 9.565 4.713 -1.268 1.00 0.00 C ATOM 635 C ASP A 40 8.525 4.600 -2.384 1.00 0.00 C ATOM 636 O ASP A 40 8.620 5.256 -3.403 1.00 0.00 O ATOM 637 CB ASP A 40 10.518 3.518 -1.334 1.00 0.00 C ATOM 638 CG ASP A 40 11.642 3.815 -2.328 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.342 4.000 -3.496 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.785 3.854 -1.904 1.00 0.00 O ATOM 0 H ASP A 40 9.245 4.071 0.743 1.00 0.00 H new ATOM 0 HA ASP A 40 10.132 5.636 -1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.935 3.317 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.975 2.623 -1.639 1.00 0.00 H new ATOM 645 N ALA A 41 7.532 3.773 -2.201 1.00 0.00 N ATOM 646 CA ALA A 41 6.488 3.620 -3.252 1.00 0.00 C ATOM 647 C ALA A 41 5.135 3.363 -2.589 1.00 0.00 C ATOM 648 O ALA A 41 5.060 2.867 -1.482 1.00 0.00 O ATOM 649 CB ALA A 41 6.845 2.440 -4.158 1.00 0.00 C ATOM 0 H ALA A 41 7.399 3.197 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 41 6.434 4.531 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.081 2.328 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.811 2.622 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.898 1.528 -3.564 1.00 0.00 H new ATOM 655 N VAL A 42 4.065 3.699 -3.254 1.00 0.00 N ATOM 656 CA VAL A 42 2.718 3.475 -2.659 1.00 0.00 C ATOM 657 C VAL A 42 1.892 2.590 -3.592 1.00 0.00 C ATOM 658 O VAL A 42 1.476 3.008 -4.654 1.00 0.00 O ATOM 659 CB VAL A 42 2.014 4.820 -2.474 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.761 4.627 -1.618 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.962 5.798 -1.778 1.00 0.00 C ATOM 0 H VAL A 42 4.065 4.119 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 42 2.823 2.984 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 42 1.730 5.219 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.259 5.586 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.086 3.929 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.044 4.228 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.462 6.757 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.246 5.399 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.855 5.936 -2.388 1.00 0.00 H new ATOM 671 N ILE A 43 1.648 1.368 -3.205 1.00 0.00 N ATOM 672 CA ILE A 43 0.847 0.460 -4.070 1.00 0.00 C ATOM 673 C ILE A 43 -0.627 0.546 -3.670 1.00 0.00 C ATOM 674 O ILE A 43 -1.077 -0.133 -2.769 1.00 0.00 O ATOM 675 CB ILE A 43 1.342 -0.976 -3.897 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.770 -1.087 -4.435 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.430 -1.929 -4.671 1.00 0.00 C ATOM 678 CD1 ILE A 43 3.408 -2.384 -3.936 1.00 0.00 C ATOM 0 H ILE A 43 1.969 0.960 -2.327 1.00 0.00 H new ATOM 0 HA ILE A 43 0.958 0.758 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 43 1.328 -1.241 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.761 -1.070 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.360 -0.231 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.784 -2.952 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.588 -1.848 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.443 -1.666 -5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.425 -2.461 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.431 -2.382 -2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.823 -3.235 -4.285 1.00 0.00 H new ATOM 690 N VAL A 44 -1.381 1.381 -4.332 1.00 0.00 N ATOM 691 CA VAL A 44 -2.824 1.517 -3.988 1.00 0.00 C ATOM 692 C VAL A 44 -3.640 0.512 -4.802 1.00 0.00 C ATOM 693 O VAL A 44 -3.497 0.410 -6.005 1.00 0.00 O ATOM 694 CB VAL A 44 -3.294 2.937 -4.313 1.00 0.00 C ATOM 695 CG1 VAL A 44 -4.644 3.194 -3.642 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.268 3.947 -3.793 1.00 0.00 C ATOM 0 H VAL A 44 -1.059 1.975 -5.096 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.964 1.322 -2.925 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.397 3.046 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.979 4.205 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.376 2.476 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.541 3.084 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.603 4.958 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.164 3.837 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.305 3.766 -4.270 1.00 0.00 H new ATOM 706 N LEU A 45 -4.499 -0.231 -4.158 1.00 0.00 N ATOM 707 CA LEU A 45 -5.324 -1.228 -4.897 1.00 0.00 C ATOM 708 C LEU A 45 -6.609 -0.558 -5.390 1.00 0.00 C ATOM 709 O LEU A 45 -7.429 -0.118 -4.611 1.00 0.00 O ATOM 710 CB LEU A 45 -5.678 -2.390 -3.966 1.00 0.00 C ATOM 711 CG LEU A 45 -4.776 -3.586 -4.275 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.165 -4.185 -5.628 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.318 -3.125 -4.325 1.00 0.00 C ATOM 0 H LEU A 45 -4.665 -0.190 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.760 -1.607 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.554 -2.087 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.724 -2.667 -4.095 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.895 -4.339 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.522 -5.037 -5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.204 -4.514 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.047 -3.432 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.674 -3.977 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.201 -2.371 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.038 -2.698 -3.362 1.00 0.00 H new ATOM 725 N ALA A 46 -6.789 -0.477 -6.680 1.00 0.00 N ATOM 726 CA ALA A 46 -8.020 0.165 -7.223 1.00 0.00 C ATOM 727 C ALA A 46 -9.254 -0.553 -6.675 1.00 0.00 C ATOM 728 O ALA A 46 -10.336 -0.001 -6.632 1.00 0.00 O ATOM 729 CB ALA A 46 -8.010 0.076 -8.749 1.00 0.00 C ATOM 0 H ALA A 46 -6.137 -0.828 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.048 1.212 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.910 0.545 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.131 0.590 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.982 -0.971 -9.052 1.00 0.00 H new ATOM 735 N GLY A 47 -9.102 -1.776 -6.250 1.00 0.00 N ATOM 736 CA GLY A 47 -10.267 -2.524 -5.701 1.00 0.00 C ATOM 737 C GLY A 47 -10.370 -2.267 -4.197 1.00 0.00 C ATOM 738 O GLY A 47 -10.747 -3.135 -3.433 1.00 0.00 O ATOM 0 H GLY A 47 -8.221 -2.290 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.184 -2.208 -6.199 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.152 -3.591 -5.892 1.00 0.00 H new ATOM 742 N LEU A 48 -10.034 -1.082 -3.764 1.00 0.00 N ATOM 743 CA LEU A 48 -10.110 -0.773 -2.308 1.00 0.00 C ATOM 744 C LEU A 48 -11.058 0.406 -2.078 1.00 0.00 C ATOM 745 O LEU A 48 -11.655 0.532 -1.028 1.00 0.00 O ATOM 746 CB LEU A 48 -8.716 -0.410 -1.790 1.00 0.00 C ATOM 747 CG LEU A 48 -8.116 -1.611 -1.057 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.028 -2.007 0.107 1.00 0.00 C ATOM 749 CD2 LEU A 48 -7.989 -2.788 -2.026 1.00 0.00 C ATOM 0 H LEU A 48 -9.711 -0.316 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.484 -1.647 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.072 -0.118 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.777 0.446 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.131 -1.347 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.600 -2.863 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.120 -1.169 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.013 -2.271 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.561 -3.644 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.975 -3.052 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.340 -2.508 -2.856 1.00 0.00 H new ATOM 761 N TRP A 49 -11.203 1.273 -3.044 1.00 0.00 N ATOM 762 CA TRP A 49 -12.116 2.436 -2.854 1.00 0.00 C ATOM 763 C TRP A 49 -13.553 1.933 -2.716 1.00 0.00 C ATOM 764 O TRP A 49 -14.409 2.610 -2.179 1.00 0.00 O ATOM 765 CB TRP A 49 -12.009 3.389 -4.051 1.00 0.00 C ATOM 766 CG TRP A 49 -12.473 2.707 -5.301 1.00 0.00 C ATOM 767 CD1 TRP A 49 -13.715 2.205 -5.505 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.725 2.460 -6.527 1.00 0.00 C ATOM 769 NE1 TRP A 49 -13.772 1.658 -6.775 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.571 1.791 -7.444 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.405 2.744 -6.926 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.125 1.419 -8.713 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -9.953 2.373 -8.204 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.811 1.711 -9.094 1.00 0.00 C ATOM 0 H TRP A 49 -10.733 1.227 -3.948 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.831 2.975 -1.950 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -12.610 4.280 -3.870 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -10.977 3.719 -4.170 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.527 2.228 -4.793 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.600 1.211 -7.169 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.736 3.250 -6.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.789 0.910 -9.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.940 2.599 -8.502 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.457 1.426 -10.074 1.00 0.00 H new ATOM 785 N GLY A 50 -13.826 0.750 -3.193 1.00 0.00 N ATOM 786 CA GLY A 50 -15.207 0.202 -3.088 1.00 0.00 C ATOM 787 C GLY A 50 -15.620 0.138 -1.617 1.00 0.00 C ATOM 788 O GLY A 50 -16.789 0.046 -1.294 1.00 0.00 O ATOM 0 H GLY A 50 -13.151 0.138 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.902 0.830 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.250 -0.792 -3.532 1.00 0.00 H new ATOM 792 N THR A 51 -14.672 0.186 -0.721 1.00 0.00 N ATOM 793 CA THR A 51 -15.014 0.128 0.728 1.00 0.00 C ATOM 794 C THR A 51 -14.748 1.492 1.371 1.00 0.00 C ATOM 795 O THR A 51 -15.496 1.948 2.211 1.00 0.00 O ATOM 796 CB THR A 51 -14.153 -0.935 1.416 1.00 0.00 C ATOM 797 OG1 THR A 51 -12.888 -0.379 1.746 1.00 0.00 O ATOM 798 CG2 THR A 51 -13.960 -2.126 0.477 1.00 0.00 C ATOM 0 H THR A 51 -13.677 0.263 -0.930 1.00 0.00 H new ATOM 0 HA THR A 51 -16.067 -0.129 0.841 1.00 0.00 H new ATOM 0 HB THR A 51 -14.650 -1.271 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.435 -0.088 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.347 -2.881 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.931 -2.553 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.464 -1.794 -0.435 1.00 0.00 H new ATOM 806 N ARG A 52 -13.685 2.144 0.983 1.00 0.00 N ATOM 807 CA ARG A 52 -13.373 3.477 1.575 1.00 0.00 C ATOM 808 C ARG A 52 -12.820 4.402 0.490 1.00 0.00 C ATOM 809 O ARG A 52 -11.729 4.925 0.606 1.00 0.00 O ATOM 810 CB ARG A 52 -12.329 3.311 2.680 1.00 0.00 C ATOM 811 CG ARG A 52 -12.975 2.656 3.903 1.00 0.00 C ATOM 812 CD ARG A 52 -12.489 1.210 4.023 1.00 0.00 C ATOM 813 NE ARG A 52 -11.953 0.980 5.394 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.111 0.005 5.609 1.00 0.00 C ATOM 815 NH1 ARG A 52 -11.530 -1.230 5.615 1.00 0.00 N ATOM 816 NH2 ARG A 52 -9.850 0.268 5.818 1.00 0.00 N ATOM 0 H ARG A 52 -13.021 1.812 0.284 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.282 3.910 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.501 2.699 2.323 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.915 4.282 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.720 3.213 4.805 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.061 2.680 3.811 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.309 0.521 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.716 1.012 3.280 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.243 1.583 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.516 -1.435 5.452 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.872 -1.991 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.523 1.234 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.191 -0.493 5.986 1.00 0.00 H new ATOM 830 N ARG A 53 -13.560 4.611 -0.563 1.00 0.00 N ATOM 831 CA ARG A 53 -13.073 5.504 -1.651 1.00 0.00 C ATOM 832 C ARG A 53 -12.679 6.859 -1.058 1.00 0.00 C ATOM 833 O ARG A 53 -11.905 7.598 -1.636 1.00 0.00 O ATOM 834 CB ARG A 53 -14.183 5.702 -2.686 1.00 0.00 C ATOM 835 CG ARG A 53 -13.622 6.453 -3.896 1.00 0.00 C ATOM 836 CD ARG A 53 -14.375 6.023 -5.156 1.00 0.00 C ATOM 837 NE ARG A 53 -14.668 7.221 -5.992 1.00 0.00 N ATOM 838 CZ ARG A 53 -15.578 7.160 -6.925 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.721 6.578 -6.682 1.00 0.00 N ATOM 840 NH2 ARG A 53 -15.345 7.680 -8.099 1.00 0.00 N ATOM 0 H ARG A 53 -14.481 4.202 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.206 5.051 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.582 4.736 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.009 6.262 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.722 7.528 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.558 6.244 -4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.779 5.308 -5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.303 5.520 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.157 8.090 -5.835 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.902 6.172 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.434 6.529 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.451 8.134 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.057 7.632 -8.828 1.00 0.00 H new ATOM 854 N ASP A 54 -13.203 7.191 0.090 1.00 0.00 N ATOM 855 CA ASP A 54 -12.857 8.497 0.717 1.00 0.00 C ATOM 856 C ASP A 54 -11.436 8.432 1.282 1.00 0.00 C ATOM 857 O ASP A 54 -10.661 9.357 1.145 1.00 0.00 O ATOM 858 CB ASP A 54 -13.843 8.796 1.849 1.00 0.00 C ATOM 859 CG ASP A 54 -14.191 10.286 1.842 1.00 0.00 C ATOM 860 OD1 ASP A 54 -13.319 11.079 2.157 1.00 0.00 O ATOM 861 OD2 ASP A 54 -15.323 10.609 1.521 1.00 0.00 O ATOM 0 H ASP A 54 -13.856 6.614 0.621 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.914 9.286 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.747 8.200 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.407 8.518 2.808 1.00 0.00 H new ATOM 866 N GLU A 55 -11.088 7.345 1.916 1.00 0.00 N ATOM 867 CA GLU A 55 -9.718 7.222 2.487 1.00 0.00 C ATOM 868 C GLU A 55 -8.694 7.173 1.350 1.00 0.00 C ATOM 869 O GLU A 55 -7.698 7.869 1.368 1.00 0.00 O ATOM 870 CB GLU A 55 -9.623 5.939 3.316 1.00 0.00 C ATOM 871 CG GLU A 55 -8.867 6.224 4.615 1.00 0.00 C ATOM 872 CD GLU A 55 -9.746 7.062 5.545 1.00 0.00 C ATOM 873 OE1 GLU A 55 -10.191 8.115 5.118 1.00 0.00 O ATOM 874 OE2 GLU A 55 -9.959 6.636 6.669 1.00 0.00 O ATOM 0 H GLU A 55 -11.694 6.538 2.063 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.512 8.082 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.622 5.563 3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.110 5.163 2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.594 5.288 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.939 6.754 4.399 1.00 0.00 H new ATOM 881 N ILE A 56 -8.931 6.357 0.359 1.00 0.00 N ATOM 882 CA ILE A 56 -7.970 6.267 -0.777 1.00 0.00 C ATOM 883 C ILE A 56 -7.858 7.634 -1.456 1.00 0.00 C ATOM 884 O ILE A 56 -6.795 8.039 -1.882 1.00 0.00 O ATOM 885 CB ILE A 56 -8.469 5.230 -1.786 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.273 3.827 -1.207 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.677 5.357 -3.088 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.638 3.186 -0.948 1.00 0.00 C ATOM 0 H ILE A 56 -9.747 5.750 0.287 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.991 5.966 -0.405 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.526 5.400 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.697 3.213 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.703 3.881 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.034 4.618 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.812 6.357 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.619 5.187 -2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.498 2.187 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.198 3.796 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.192 3.118 -1.884 1.00 0.00 H new ATOM 900 N LEU A 57 -8.944 8.352 -1.556 1.00 0.00 N ATOM 901 CA LEU A 57 -8.893 9.693 -2.203 1.00 0.00 C ATOM 902 C LEU A 57 -7.922 10.589 -1.432 1.00 0.00 C ATOM 903 O LEU A 57 -6.996 11.144 -1.991 1.00 0.00 O ATOM 904 CB LEU A 57 -10.288 10.323 -2.191 1.00 0.00 C ATOM 905 CG LEU A 57 -10.441 11.246 -3.402 1.00 0.00 C ATOM 906 CD1 LEU A 57 -11.912 11.625 -3.572 1.00 0.00 C ATOM 907 CD2 LEU A 57 -9.610 12.512 -3.183 1.00 0.00 C ATOM 0 H LEU A 57 -9.863 8.068 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.554 9.587 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.051 9.545 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.436 10.886 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.093 10.732 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.021 12.282 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.505 10.723 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.261 12.140 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.717 13.171 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.959 13.026 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.561 12.242 -3.061 1.00 0.00 H new ATOM 919 N GLY A 58 -8.124 10.732 -0.150 1.00 0.00 N ATOM 920 CA GLY A 58 -7.209 11.590 0.655 1.00 0.00 C ATOM 921 C GLY A 58 -5.765 11.142 0.431 1.00 0.00 C ATOM 922 O GLY A 58 -4.869 11.949 0.280 1.00 0.00 O ATOM 0 H GLY A 58 -8.881 10.293 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.326 12.635 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.463 11.520 1.713 1.00 0.00 H new ATOM 926 N ALA A 59 -5.532 9.858 0.403 1.00 0.00 N ATOM 927 CA ALA A 59 -4.147 9.356 0.185 1.00 0.00 C ATOM 928 C ALA A 59 -3.603 9.930 -1.124 1.00 0.00 C ATOM 929 O ALA A 59 -2.453 10.316 -1.215 1.00 0.00 O ATOM 930 CB ALA A 59 -4.166 7.828 0.105 1.00 0.00 C ATOM 0 H ALA A 59 -6.242 9.135 0.522 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.510 9.667 1.013 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.153 7.459 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.558 7.420 1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.801 7.515 -0.724 1.00 0.00 H new ATOM 936 N VAL A 60 -4.419 9.991 -2.141 1.00 0.00 N ATOM 937 CA VAL A 60 -3.947 10.542 -3.442 1.00 0.00 C ATOM 938 C VAL A 60 -3.669 12.038 -3.287 1.00 0.00 C ATOM 939 O VAL A 60 -2.769 12.579 -3.898 1.00 0.00 O ATOM 940 CB VAL A 60 -5.025 10.330 -4.506 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.536 10.884 -5.845 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.309 8.832 -4.649 1.00 0.00 C ATOM 0 H VAL A 60 -5.391 9.683 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.033 10.031 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.937 10.849 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.304 10.733 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.330 11.950 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.625 10.365 -6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.077 8.678 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.397 8.316 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.656 8.435 -3.695 1.00 0.00 H new ATOM 952 N ASP A 61 -4.432 12.711 -2.470 1.00 0.00 N ATOM 953 CA ASP A 61 -4.207 14.171 -2.274 1.00 0.00 C ATOM 954 C ASP A 61 -2.792 14.396 -1.737 1.00 0.00 C ATOM 955 O ASP A 61 -2.030 15.172 -2.277 1.00 0.00 O ATOM 956 CB ASP A 61 -5.227 14.714 -1.270 1.00 0.00 C ATOM 957 CG ASP A 61 -6.596 14.830 -1.941 1.00 0.00 C ATOM 958 OD1 ASP A 61 -6.740 14.323 -3.043 1.00 0.00 O ATOM 959 OD2 ASP A 61 -7.479 15.423 -1.344 1.00 0.00 O ATOM 0 H ASP A 61 -5.201 12.313 -1.930 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.324 14.690 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.289 14.053 -0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.907 15.689 -0.903 1.00 0.00 H new ATOM 964 N LEU A 62 -2.436 13.721 -0.679 1.00 0.00 N ATOM 965 CA LEU A 62 -1.070 13.895 -0.111 1.00 0.00 C ATOM 966 C LEU A 62 -0.034 13.387 -1.115 1.00 0.00 C ATOM 967 O LEU A 62 1.077 13.876 -1.179 1.00 0.00 O ATOM 968 CB LEU A 62 -0.952 13.101 1.192 1.00 0.00 C ATOM 969 CG LEU A 62 0.453 13.276 1.771 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.460 14.456 2.744 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.860 12.001 2.514 1.00 0.00 C ATOM 0 H LEU A 62 -3.031 13.057 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.893 14.951 0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.698 13.445 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.152 12.046 1.006 1.00 0.00 H new ATOM 0 HG LEU A 62 1.158 13.467 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.461 14.581 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.169 15.364 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.245 14.265 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.861 12.124 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.155 11.810 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.854 11.159 1.822 1.00 0.00 H new ATOM 983 N ALA A 63 -0.389 12.408 -1.903 1.00 0.00 N ATOM 984 CA ALA A 63 0.575 11.870 -2.904 1.00 0.00 C ATOM 985 C ALA A 63 0.754 12.886 -4.034 1.00 0.00 C ATOM 986 O ALA A 63 1.729 12.859 -4.758 1.00 0.00 O ATOM 987 CB ALA A 63 0.037 10.558 -3.479 1.00 0.00 C ATOM 0 H ALA A 63 -1.304 11.958 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 63 1.535 11.687 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.743 10.165 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.092 9.834 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.923 10.739 -3.962 1.00 0.00 H new ATOM 993 N ARG A 64 -0.179 13.786 -4.187 1.00 0.00 N ATOM 994 CA ARG A 64 -0.062 14.805 -5.268 1.00 0.00 C ATOM 995 C ARG A 64 1.121 15.728 -4.969 1.00 0.00 C ATOM 996 O ARG A 64 1.525 16.522 -5.796 1.00 0.00 O ATOM 997 CB ARG A 64 -1.349 15.632 -5.331 1.00 0.00 C ATOM 998 CG ARG A 64 -2.081 15.340 -6.643 1.00 0.00 C ATOM 999 CD ARG A 64 -3.590 15.452 -6.418 1.00 0.00 C ATOM 1000 NE ARG A 64 -4.214 16.157 -7.572 1.00 0.00 N ATOM 1001 CZ ARG A 64 -5.307 16.849 -7.400 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -6.465 16.246 -7.381 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -5.243 18.142 -7.246 1.00 0.00 N ATOM 0 H ARG A 64 -1.017 13.859 -3.610 1.00 0.00 H new ATOM 0 HA ARG A 64 0.096 14.306 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.990 15.391 -4.483 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.115 16.694 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.764 16.043 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.828 14.341 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.026 14.459 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.791 15.995 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.787 16.099 -8.497 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.515 15.234 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.319 16.787 -7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.338 18.613 -7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.098 18.683 -7.112 1.00 0.00 H new ATOM 1017 N LYS A 65 1.679 15.632 -3.793 1.00 0.00 N ATOM 1018 CA LYS A 65 2.835 16.504 -3.444 1.00 0.00 C ATOM 1019 C LYS A 65 4.049 16.106 -4.287 1.00 0.00 C ATOM 1020 O LYS A 65 5.058 16.781 -4.295 1.00 0.00 O ATOM 1021 CB LYS A 65 3.168 16.341 -1.960 1.00 0.00 C ATOM 1022 CG LYS A 65 4.217 17.380 -1.556 1.00 0.00 C ATOM 1023 CD LYS A 65 3.783 18.063 -0.258 1.00 0.00 C ATOM 1024 CE LYS A 65 5.017 18.580 0.483 1.00 0.00 C ATOM 1025 NZ LYS A 65 5.686 19.626 -0.339 1.00 0.00 N ATOM 0 H LYS A 65 1.384 14.988 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 65 2.579 17.544 -3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.267 16.465 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.544 15.336 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.186 16.900 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.335 18.120 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.105 18.888 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.236 17.360 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.728 18.992 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.707 17.759 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.373 20.142 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.180 19.177 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.973 20.290 -0.703 1.00 0.00 H new ATOM 1039 N SER A 66 3.957 15.012 -4.995 1.00 0.00 N ATOM 1040 CA SER A 66 5.104 14.569 -5.838 1.00 0.00 C ATOM 1041 C SER A 66 6.264 14.134 -4.940 1.00 0.00 C ATOM 1042 O SER A 66 7.403 14.497 -5.162 1.00 0.00 O ATOM 1043 CB SER A 66 5.555 15.723 -6.735 1.00 0.00 C ATOM 1044 OG SER A 66 6.484 15.235 -7.694 1.00 0.00 O ATOM 0 H SER A 66 3.137 14.406 -5.026 1.00 0.00 H new ATOM 0 HA SER A 66 4.793 13.728 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.695 16.166 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.013 16.509 -6.134 1.00 0.00 H new ATOM 0 HG SER A 66 7.228 14.794 -7.234 1.00 0.00 H new ATOM 1050 N SER A 67 5.986 13.358 -3.929 1.00 0.00 N ATOM 1051 CA SER A 67 7.072 12.897 -3.020 1.00 0.00 C ATOM 1052 C SER A 67 7.290 11.396 -3.214 1.00 0.00 C ATOM 1053 O SER A 67 8.403 10.909 -3.178 1.00 0.00 O ATOM 1054 CB SER A 67 6.676 13.173 -1.569 1.00 0.00 C ATOM 1055 OG SER A 67 7.697 13.936 -0.940 1.00 0.00 O ATOM 0 H SER A 67 5.052 13.023 -3.693 1.00 0.00 H new ATOM 0 HA SER A 67 7.993 13.432 -3.251 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.730 13.713 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.527 12.234 -1.036 1.00 0.00 H new ATOM 0 HG SER A 67 7.445 14.116 -0.010 1.00 0.00 H new ATOM 1061 N LYS A 68 6.234 10.660 -3.425 1.00 0.00 N ATOM 1062 CA LYS A 68 6.374 9.190 -3.629 1.00 0.00 C ATOM 1063 C LYS A 68 5.662 8.794 -4.927 1.00 0.00 C ATOM 1064 O LYS A 68 4.763 9.480 -5.371 1.00 0.00 O ATOM 1065 CB LYS A 68 5.748 8.444 -2.448 1.00 0.00 C ATOM 1066 CG LYS A 68 4.309 8.920 -2.242 1.00 0.00 C ATOM 1067 CD LYS A 68 4.078 9.223 -0.758 1.00 0.00 C ATOM 1068 CE LYS A 68 4.685 10.583 -0.413 1.00 0.00 C ATOM 1069 NZ LYS A 68 3.623 11.478 0.129 1.00 0.00 N ATOM 0 H LYS A 68 5.278 11.014 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 68 7.430 8.928 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.763 7.370 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.332 8.619 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.121 9.812 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.610 8.156 -2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.010 9.223 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.530 8.445 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.483 10.462 0.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.133 11.029 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.980 12.454 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.789 11.442 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.358 11.163 1.084 1.00 0.00 H new ATOM 1083 N PRO A 69 6.089 7.697 -5.497 1.00 0.00 N ATOM 1084 CA PRO A 69 5.514 7.181 -6.751 1.00 0.00 C ATOM 1085 C PRO A 69 4.173 6.493 -6.484 1.00 0.00 C ATOM 1086 O PRO A 69 4.083 5.568 -5.701 1.00 0.00 O ATOM 1087 CB PRO A 69 6.560 6.173 -7.236 1.00 0.00 C ATOM 1088 CG PRO A 69 7.375 5.755 -5.989 1.00 0.00 C ATOM 1089 CD PRO A 69 7.180 6.869 -4.943 1.00 0.00 C ATOM 0 HA PRO A 69 5.310 7.963 -7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.082 5.308 -7.695 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.207 6.618 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.029 4.796 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.430 5.637 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.914 6.459 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.091 7.451 -4.806 1.00 0.00 H new ATOM 1097 N ILE A 70 3.129 6.940 -7.129 1.00 0.00 N ATOM 1098 CA ILE A 70 1.796 6.313 -6.911 1.00 0.00 C ATOM 1099 C ILE A 70 1.583 5.199 -7.938 1.00 0.00 C ATOM 1100 O ILE A 70 1.732 5.401 -9.127 1.00 0.00 O ATOM 1101 CB ILE A 70 0.701 7.370 -7.069 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.910 8.474 -6.031 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.670 6.725 -6.858 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.162 9.552 -6.208 1.00 0.00 C ATOM 0 H ILE A 70 3.143 7.711 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 70 1.752 5.894 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 70 0.749 7.796 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.858 8.057 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.902 8.911 -6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.448 7.480 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.819 5.937 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.721 6.298 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.013 10.338 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.089 9.977 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.149 9.109 -6.073 1.00 0.00 H new ATOM 1116 N ILE A 71 1.239 4.024 -7.488 1.00 0.00 N ATOM 1117 CA ILE A 71 1.017 2.897 -8.437 1.00 0.00 C ATOM 1118 C ILE A 71 -0.388 2.329 -8.229 1.00 0.00 C ATOM 1119 O ILE A 71 -0.695 1.770 -7.196 1.00 0.00 O ATOM 1120 CB ILE A 71 2.055 1.802 -8.179 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.455 2.351 -8.468 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.777 0.609 -9.094 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.146 2.705 -7.149 1.00 0.00 C ATOM 0 H ILE A 71 1.102 3.795 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 71 1.116 3.256 -9.461 1.00 0.00 H new ATOM 0 HB ILE A 71 1.996 1.482 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.042 1.611 -9.012 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.387 3.234 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.516 -0.171 -8.910 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.780 0.219 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.836 0.927 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.143 3.096 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.561 3.460 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.227 1.812 -6.529 1.00 0.00 H new ATOM 1135 N THR A 72 -1.244 2.470 -9.204 1.00 0.00 N ATOM 1136 CA THR A 72 -2.629 1.939 -9.061 1.00 0.00 C ATOM 1137 C THR A 72 -2.713 0.553 -9.704 1.00 0.00 C ATOM 1138 O THR A 72 -2.446 0.386 -10.878 1.00 0.00 O ATOM 1139 CB THR A 72 -3.610 2.884 -9.756 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.122 3.201 -11.052 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.755 4.166 -8.936 1.00 0.00 C ATOM 0 H THR A 72 -1.044 2.929 -10.092 1.00 0.00 H new ATOM 0 HA THR A 72 -2.883 1.864 -8.004 1.00 0.00 H new ATOM 0 HB THR A 72 -4.582 2.399 -9.842 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.629 2.434 -11.413 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.454 4.838 -9.433 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.130 3.922 -7.942 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.784 4.653 -8.848 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.083 -0.441 -8.946 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.185 -1.814 -9.515 1.00 0.00 C ATOM 1151 C VAL A 73 -4.646 -2.115 -9.854 1.00 0.00 C ATOM 1152 O VAL A 73 -5.512 -2.073 -9.002 1.00 0.00 O ATOM 1153 CB VAL A 73 -2.681 -2.831 -8.489 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -2.831 -4.244 -9.053 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.205 -2.559 -8.188 1.00 0.00 C ATOM 0 H VAL A 73 -3.319 -0.362 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.579 -1.879 -10.419 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.265 -2.742 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.472 -4.968 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.881 -4.439 -9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.247 -4.334 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.843 -3.282 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.624 -2.649 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.095 -1.552 -7.786 1.00 0.00 H new ATOM 1165 N ARG A 74 -4.930 -2.417 -11.093 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.335 -2.720 -11.486 1.00 0.00 C ATOM 1167 C ARG A 74 -6.979 -3.622 -10.429 1.00 0.00 C ATOM 1168 O ARG A 74 -6.298 -4.374 -9.762 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.345 -3.433 -12.839 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.147 -2.410 -13.959 1.00 0.00 C ATOM 1171 CD ARG A 74 -7.511 -1.952 -14.478 1.00 0.00 C ATOM 1172 NE ARG A 74 -7.372 -1.464 -15.878 1.00 0.00 N ATOM 1173 CZ ARG A 74 -8.363 -1.595 -16.716 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -9.549 -1.157 -16.397 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -8.168 -2.165 -17.874 1.00 0.00 N ATOM 0 H ARG A 74 -4.248 -2.467 -11.850 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.898 -1.790 -11.562 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.554 -4.182 -12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.289 -3.960 -12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.581 -1.555 -13.589 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.567 -2.850 -14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.223 -2.777 -14.438 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.906 -1.159 -13.843 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.502 -1.027 -16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.702 -0.712 -15.492 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.324 -1.259 -17.052 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.240 -2.508 -18.124 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.943 -2.267 -18.529 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.278 -3.514 -10.309 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.055 -4.306 -9.341 1.00 0.00 C ATOM 1191 C PRO A 75 -9.266 -5.732 -9.860 1.00 0.00 C ATOM 1192 O PRO A 75 -9.299 -5.972 -11.051 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.386 -3.557 -9.251 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.514 -2.735 -10.556 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.092 -2.593 -11.129 1.00 0.00 C ATOM 0 HA PRO A 75 -8.560 -4.406 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.218 -4.254 -9.148 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.406 -2.905 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.170 -3.237 -11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.950 -1.756 -10.356 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.059 -2.864 -12.184 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.732 -1.567 -11.052 1.00 0.00 H new ATOM 1203 N TYR A 76 -9.409 -6.680 -8.974 1.00 0.00 N ATOM 1204 CA TYR A 76 -9.620 -8.088 -9.416 1.00 0.00 C ATOM 1205 C TYR A 76 -10.731 -8.127 -10.468 1.00 0.00 C ATOM 1206 O TYR A 76 -10.580 -8.708 -11.525 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.016 -8.945 -8.208 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.607 -10.256 -8.676 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.771 -11.351 -8.936 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.993 -10.376 -8.849 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -10.322 -12.565 -9.368 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -12.543 -11.591 -9.281 1.00 0.00 C ATOM 1213 CZ TYR A 76 -11.707 -12.685 -9.541 1.00 0.00 C ATOM 1214 OH TYR A 76 -12.249 -13.880 -9.967 1.00 0.00 O ATOM 0 H TYR A 76 -9.389 -6.540 -7.964 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.700 -8.481 -9.849 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.143 -9.133 -7.583 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.739 -8.409 -7.593 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.703 -11.259 -8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.637 -9.532 -8.649 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.678 -13.409 -9.568 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.611 -11.684 -9.413 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.223 -13.792 -10.034 1.00 0.00 H new ATOM 1224 N GLY A 77 -11.848 -7.513 -10.188 1.00 0.00 N ATOM 1225 CA GLY A 77 -12.966 -7.515 -11.172 1.00 0.00 C ATOM 1226 C GLY A 77 -14.297 -7.351 -10.435 1.00 0.00 C ATOM 1227 O GLY A 77 -14.732 -8.227 -9.715 1.00 0.00 O ATOM 0 H GLY A 77 -12.034 -7.010 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.834 -6.705 -11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.964 -8.446 -11.738 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.947 -6.233 -10.611 1.00 0.00 N ATOM 1232 CA LEU A 78 -16.249 -6.012 -9.922 1.00 0.00 C ATOM 1233 C LEU A 78 -16.944 -4.792 -10.530 1.00 0.00 C ATOM 1234 O LEU A 78 -18.121 -4.820 -10.831 1.00 0.00 O ATOM 1235 CB LEU A 78 -16.005 -5.769 -8.432 1.00 0.00 C ATOM 1236 CG LEU A 78 -17.152 -6.373 -7.621 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -17.044 -7.899 -7.642 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -17.071 -5.877 -6.177 1.00 0.00 C ATOM 0 H LEU A 78 -14.632 -5.464 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.880 -6.892 -10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.058 -6.216 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.930 -4.700 -8.235 1.00 0.00 H new ATOM 0 HG LEU A 78 -18.104 -6.070 -8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -17.862 -8.330 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -17.101 -8.254 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -16.092 -8.202 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.888 -6.307 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.119 -6.180 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.148 -4.790 -6.161 1.00 0.00 H new ATOM 1250 N GLU A 79 -16.223 -3.720 -10.714 1.00 0.00 N ATOM 1251 CA GLU A 79 -16.835 -2.500 -11.303 1.00 0.00 C ATOM 1252 C GLU A 79 -15.970 -2.022 -12.471 1.00 0.00 C ATOM 1253 O GLU A 79 -15.414 -2.814 -13.207 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.914 -1.407 -10.233 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.455 -2.005 -8.933 1.00 0.00 C ATOM 1256 CD GLU A 79 -18.649 -1.180 -8.448 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -19.278 -0.543 -9.276 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -18.913 -1.200 -7.257 1.00 0.00 O ATOM 0 H GLU A 79 -15.233 -3.638 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 79 -17.839 -2.723 -11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.927 -0.976 -10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -17.562 -0.598 -10.571 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.756 -3.040 -9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.674 -2.015 -8.173 1.00 0.00 H new ATOM 1265 N ASN A 80 -15.852 -0.738 -12.650 1.00 0.00 N ATOM 1266 CA ASN A 80 -15.023 -0.215 -13.771 1.00 0.00 C ATOM 1267 C ASN A 80 -14.111 0.900 -13.256 1.00 0.00 C ATOM 1268 O ASN A 80 -14.569 1.940 -12.824 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.937 0.337 -14.866 1.00 0.00 C ATOM 1270 CG ASN A 80 -15.792 -0.515 -16.129 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -14.884 -0.315 -16.911 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -16.657 -1.465 -16.362 1.00 0.00 N ATOM 0 H ASN A 80 -16.294 -0.026 -12.068 1.00 0.00 H new ATOM 0 HA ASN A 80 -14.414 -1.021 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.973 0.331 -14.527 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.678 1.374 -15.082 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.570 -2.039 -17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.419 -1.633 -15.705 1.00 0.00 H new ATOM 1279 N VAL A 81 -12.823 0.693 -13.299 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.883 1.742 -12.812 1.00 0.00 C ATOM 1281 C VAL A 81 -12.245 3.085 -13.458 1.00 0.00 C ATOM 1282 O VAL A 81 -12.477 3.150 -14.649 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.453 1.358 -13.198 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.504 2.511 -12.868 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -10.031 0.113 -12.414 1.00 0.00 C ATOM 0 H VAL A 81 -12.381 -0.157 -13.650 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.956 1.828 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.411 1.149 -14.267 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.486 2.235 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.803 3.399 -13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.546 2.722 -11.799 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.012 -0.162 -12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.075 0.324 -11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -10.705 -0.711 -12.649 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.285 4.121 -12.655 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.619 5.475 -13.128 1.00 0.00 C ATOM 1297 C PRO A 82 -11.413 6.108 -13.830 1.00 0.00 C ATOM 1298 O PRO A 82 -10.281 5.836 -13.481 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.962 6.230 -11.840 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.272 5.464 -10.688 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.000 4.039 -11.207 1.00 0.00 C ATOM 0 HA PRO A 82 -13.433 5.489 -13.853 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.609 7.260 -11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.041 6.270 -11.689 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.343 5.955 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.908 5.439 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.969 3.737 -11.020 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.641 3.307 -10.716 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.695 6.936 -14.804 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.655 7.629 -15.584 1.00 0.00 C ATOM 1311 C PRO A 83 -10.084 8.807 -14.788 1.00 0.00 C ATOM 1312 O PRO A 83 -9.161 9.470 -15.220 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.406 8.121 -16.824 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.901 8.185 -16.433 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.077 7.256 -15.216 1.00 0.00 C ATOM 0 HA PRO A 83 -9.807 6.991 -15.830 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.043 9.101 -17.134 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.253 7.444 -17.665 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.194 9.206 -16.187 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.532 7.863 -17.261 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.628 7.749 -14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.633 6.356 -15.479 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.624 9.074 -13.631 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.109 10.208 -12.814 1.00 0.00 C ATOM 1325 C GLU A 84 -8.924 9.735 -11.971 1.00 0.00 C ATOM 1326 O GLU A 84 -7.922 10.413 -11.856 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.220 10.719 -11.892 1.00 0.00 C ATOM 1328 CG GLU A 84 -11.473 12.202 -12.172 1.00 0.00 C ATOM 1329 CD GLU A 84 -10.317 13.031 -11.613 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -9.784 12.650 -10.582 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -9.980 14.032 -12.224 1.00 0.00 O ATOM 0 H GLU A 84 -11.399 8.556 -13.216 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.786 11.013 -13.474 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.133 10.146 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.936 10.578 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.569 12.369 -13.245 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.412 12.514 -11.716 1.00 0.00 H new ATOM 1338 N LEU A 85 -9.026 8.575 -11.383 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.902 8.062 -10.551 1.00 0.00 C ATOM 1340 C LEU A 85 -6.704 7.748 -11.450 1.00 0.00 C ATOM 1341 O LEU A 85 -5.565 7.860 -11.043 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.343 6.788 -9.827 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.414 6.530 -8.639 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -8.216 6.605 -7.339 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.791 5.140 -8.773 1.00 0.00 C ATOM 0 H LEU A 85 -9.838 7.961 -11.443 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.619 8.817 -9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.372 6.890 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.319 5.941 -10.512 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.626 7.283 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.555 6.421 -6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.662 7.595 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.004 5.852 -7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.129 4.955 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.580 4.388 -8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.220 5.085 -9.700 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.952 7.355 -12.670 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.828 7.036 -13.593 1.00 0.00 C ATOM 1359 C GLU A 86 -5.276 8.330 -14.197 1.00 0.00 C ATOM 1360 O GLU A 86 -4.345 8.313 -14.978 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.334 6.126 -14.714 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.357 4.966 -14.911 1.00 0.00 C ATOM 1363 CD GLU A 86 -5.848 4.072 -16.052 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -6.811 4.448 -16.699 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -5.251 3.028 -16.259 1.00 0.00 O ATOM 0 H GLU A 86 -7.885 7.241 -13.067 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.037 6.529 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.324 5.743 -14.467 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.433 6.693 -15.640 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.362 5.349 -15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.274 4.387 -13.991 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.843 9.453 -13.847 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.350 10.743 -14.404 1.00 0.00 C ATOM 1374 C ALA A 87 -4.054 11.147 -13.697 1.00 0.00 C ATOM 1375 O ALA A 87 -3.095 11.553 -14.322 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.408 11.828 -14.189 1.00 0.00 C ATOM 0 H ALA A 87 -6.627 9.532 -13.199 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.158 10.627 -15.471 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.048 12.773 -14.596 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -7.330 11.542 -14.695 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.600 11.943 -13.122 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.019 11.044 -12.396 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.786 11.427 -11.651 1.00 0.00 C ATOM 1384 C VAL A 88 -1.934 10.182 -11.385 1.00 0.00 C ATOM 1385 O VAL A 88 -0.876 10.260 -10.794 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.175 12.074 -10.321 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -3.962 13.358 -10.590 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.044 11.104 -9.517 1.00 0.00 C ATOM 0 H VAL A 88 -4.790 10.711 -11.817 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.210 12.136 -12.247 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.274 12.311 -9.755 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.240 13.820 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.345 14.050 -11.164 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.863 13.121 -11.156 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.322 11.565 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.945 10.868 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.485 10.188 -9.326 1.00 0.00 H new ATOM 1398 N SER A 89 -2.384 9.036 -11.817 1.00 0.00 N ATOM 1399 CA SER A 89 -1.593 7.792 -11.587 1.00 0.00 C ATOM 1400 C SER A 89 -0.369 7.794 -12.505 1.00 0.00 C ATOM 1401 O SER A 89 -0.476 7.999 -13.699 1.00 0.00 O ATOM 1402 CB SER A 89 -2.462 6.572 -11.897 1.00 0.00 C ATOM 1403 OG SER A 89 -3.441 6.423 -10.879 1.00 0.00 O ATOM 0 H SER A 89 -3.263 8.906 -12.318 1.00 0.00 H new ATOM 0 HA SER A 89 -1.269 7.751 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.945 6.692 -12.867 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.844 5.676 -11.957 1.00 0.00 H new ATOM 0 HG SER A 89 -4.069 7.174 -10.917 1.00 0.00 H new ATOM 1409 N SER A 90 0.797 7.575 -11.960 1.00 0.00 N ATOM 1410 CA SER A 90 2.024 7.572 -12.806 1.00 0.00 C ATOM 1411 C SER A 90 2.281 6.164 -13.347 1.00 0.00 C ATOM 1412 O SER A 90 3.003 5.982 -14.308 1.00 0.00 O ATOM 1413 CB SER A 90 3.221 8.022 -11.968 1.00 0.00 C ATOM 1414 OG SER A 90 3.187 9.436 -11.824 1.00 0.00 O ATOM 0 H SER A 90 0.953 7.398 -10.968 1.00 0.00 H new ATOM 0 HA SER A 90 1.884 8.257 -13.642 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.194 7.544 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.151 7.716 -12.447 1.00 0.00 H new ATOM 0 HG SER A 90 3.952 9.728 -11.286 1.00 0.00 H new ATOM 1420 N GLU A 91 1.700 5.165 -12.742 1.00 0.00 N ATOM 1421 CA GLU A 91 1.923 3.774 -13.232 1.00 0.00 C ATOM 1422 C GLU A 91 0.715 2.901 -12.886 1.00 0.00 C ATOM 1423 O GLU A 91 0.117 3.037 -11.838 1.00 0.00 O ATOM 1424 CB GLU A 91 3.175 3.194 -12.571 1.00 0.00 C ATOM 1425 CG GLU A 91 4.381 3.404 -13.490 1.00 0.00 C ATOM 1426 CD GLU A 91 5.424 4.266 -12.778 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.585 4.098 -11.580 1.00 0.00 O ATOM 1428 OE2 GLU A 91 6.045 5.079 -13.442 1.00 0.00 O ATOM 0 H GLU A 91 1.084 5.250 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 91 2.055 3.793 -14.314 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.349 3.677 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.036 2.131 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.815 2.442 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.066 3.886 -14.415 1.00 0.00 H new ATOM 1435 N VAL A 92 0.359 2.001 -13.761 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.805 1.112 -13.490 1.00 0.00 C ATOM 1437 C VAL A 92 -0.349 -0.347 -13.576 1.00 0.00 C ATOM 1438 O VAL A 92 0.051 -0.821 -14.620 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.896 1.369 -14.529 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -3.174 0.634 -14.121 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -2.177 2.870 -14.611 1.00 0.00 C ATOM 0 H VAL A 92 0.826 1.843 -14.654 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.201 1.316 -12.495 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.563 1.006 -15.502 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.952 0.818 -14.862 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.975 -0.436 -14.061 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.507 0.996 -13.148 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.955 3.055 -15.352 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.509 3.232 -13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.267 3.395 -14.902 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.399 -1.060 -12.485 1.00 0.00 N ATOM 1452 CA VAL A 93 0.039 -2.485 -12.509 1.00 0.00 C ATOM 1453 C VAL A 93 -1.143 -3.385 -12.870 1.00 0.00 C ATOM 1454 O VAL A 93 -2.282 -3.084 -12.575 1.00 0.00 O ATOM 1455 CB VAL A 93 0.571 -2.878 -11.132 1.00 0.00 C ATOM 1456 CG1 VAL A 93 0.905 -4.370 -11.120 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.836 -2.071 -10.826 1.00 0.00 C ATOM 0 H VAL A 93 -0.723 -0.719 -11.580 1.00 0.00 H new ATOM 0 HA VAL A 93 0.825 -2.605 -13.254 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.187 -2.669 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.285 -4.650 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.006 -4.946 -11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.663 -4.579 -11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.217 -2.350 -9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.593 -2.281 -11.582 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.600 -1.007 -10.834 1.00 0.00 H new ATOM 1467 N GLY A 94 -0.878 -4.493 -13.506 1.00 0.00 N ATOM 1468 CA GLY A 94 -1.980 -5.420 -13.885 1.00 0.00 C ATOM 1469 C GLY A 94 -1.993 -6.610 -12.927 1.00 0.00 C ATOM 1470 O GLY A 94 -1.691 -6.480 -11.757 1.00 0.00 O ATOM 0 H GLY A 94 0.057 -4.796 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.937 -4.899 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.844 -5.765 -14.910 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.337 -7.771 -13.410 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.367 -8.967 -12.523 1.00 0.00 C ATOM 1476 C TRP A 95 -1.292 -9.961 -12.966 1.00 0.00 C ATOM 1477 O TRP A 95 -1.578 -11.099 -13.281 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.742 -9.630 -12.606 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.753 -8.762 -11.928 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.826 -8.202 -12.533 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -4.807 -8.347 -10.533 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.534 -7.468 -11.598 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -5.946 -7.526 -10.350 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -3.984 -8.599 -9.418 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.259 -6.977 -9.105 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.296 -8.048 -8.164 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.431 -7.238 -8.008 1.00 0.00 C ATOM 0 H TRP A 95 -2.599 -7.943 -14.381 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.174 -8.660 -11.495 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.021 -9.786 -13.648 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.714 -10.612 -12.133 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.087 -8.310 -13.575 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.386 -6.948 -11.805 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.107 -9.220 -9.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.134 -6.355 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.659 -8.249 -7.315 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.665 -6.816 -7.042 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.056 -9.542 -12.991 1.00 0.00 N ATOM 1499 CA ASN A 96 1.037 -10.464 -13.412 1.00 0.00 C ATOM 1500 C ASN A 96 2.173 -10.408 -12.386 1.00 0.00 C ATOM 1501 O ASN A 96 2.186 -9.552 -11.525 1.00 0.00 O ATOM 1502 CB ASN A 96 1.566 -10.041 -14.783 1.00 0.00 C ATOM 1503 CG ASN A 96 1.031 -10.994 -15.854 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.163 -11.177 -15.979 1.00 0.00 O ATOM 1505 ND2 ASN A 96 1.872 -11.614 -16.637 1.00 0.00 N ATOM 0 H ASN A 96 0.244 -8.601 -12.738 1.00 0.00 H new ATOM 0 HA ASN A 96 0.650 -11.481 -13.473 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.258 -9.019 -15.004 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.656 -10.052 -14.783 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.526 -12.252 -17.354 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.875 -11.460 -16.532 1.00 0.00 H new ATOM 1512 N PRO A 97 3.093 -11.330 -12.511 1.00 0.00 N ATOM 1513 CA PRO A 97 4.254 -11.422 -11.608 1.00 0.00 C ATOM 1514 C PRO A 97 5.314 -10.380 -11.983 1.00 0.00 C ATOM 1515 O PRO A 97 5.698 -9.554 -11.178 1.00 0.00 O ATOM 1516 CB PRO A 97 4.779 -12.841 -11.843 1.00 0.00 C ATOM 1517 CG PRO A 97 4.266 -13.271 -13.239 1.00 0.00 C ATOM 1518 CD PRO A 97 3.062 -12.367 -13.564 1.00 0.00 C ATOM 0 HA PRO A 97 4.000 -11.232 -10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.868 -12.863 -11.806 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.420 -13.521 -11.071 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.048 -13.160 -13.990 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.973 -14.321 -13.237 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.150 -11.928 -14.558 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.127 -12.927 -13.544 1.00 0.00 H new ATOM 1526 N HIS A 98 5.792 -10.415 -13.197 1.00 0.00 N ATOM 1527 CA HIS A 98 6.829 -9.431 -13.620 1.00 0.00 C ATOM 1528 C HIS A 98 6.214 -8.032 -13.699 1.00 0.00 C ATOM 1529 O HIS A 98 6.910 -7.047 -13.842 1.00 0.00 O ATOM 1530 CB HIS A 98 7.373 -9.826 -14.994 1.00 0.00 C ATOM 1531 CG HIS A 98 8.848 -9.535 -15.048 1.00 0.00 C ATOM 1532 ND1 HIS A 98 9.512 -9.304 -16.243 1.00 0.00 N ATOM 1533 CD2 HIS A 98 9.799 -9.434 -14.064 1.00 0.00 C ATOM 1534 CE1 HIS A 98 10.805 -9.078 -15.949 1.00 0.00 C ATOM 1535 NE2 HIS A 98 11.035 -9.145 -14.635 1.00 0.00 N ATOM 0 H HIS A 98 5.509 -11.083 -13.914 1.00 0.00 H new ATOM 0 HA HIS A 98 7.640 -9.427 -12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.193 -10.885 -15.178 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.853 -9.273 -15.776 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.616 -9.560 -13.007 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.565 -8.868 -16.686 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.925 -9.013 -14.154 1.00 0.00 H new ATOM 1543 N CYS A 99 4.917 -7.934 -13.606 1.00 0.00 N ATOM 1544 CA CYS A 99 4.265 -6.596 -13.678 1.00 0.00 C ATOM 1545 C CYS A 99 4.480 -5.852 -12.357 1.00 0.00 C ATOM 1546 O CYS A 99 5.104 -4.810 -12.315 1.00 0.00 O ATOM 1547 CB CYS A 99 2.766 -6.769 -13.927 1.00 0.00 C ATOM 1548 SG CYS A 99 2.299 -5.886 -15.437 1.00 0.00 S ATOM 0 H CYS A 99 4.281 -8.722 -13.483 1.00 0.00 H new ATOM 0 HA CYS A 99 4.704 -6.023 -14.495 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.522 -7.827 -14.022 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.199 -6.386 -13.079 1.00 0.00 H new ATOM 0 HG CYS A 99 1.025 -6.035 -15.650 1.00 0.00 H new ATOM 1554 N ILE A 100 3.967 -6.378 -11.278 1.00 0.00 N ATOM 1555 CA ILE A 100 4.143 -5.699 -9.963 1.00 0.00 C ATOM 1556 C ILE A 100 5.623 -5.383 -9.747 1.00 0.00 C ATOM 1557 O ILE A 100 5.976 -4.502 -8.988 1.00 0.00 O ATOM 1558 CB ILE A 100 3.650 -6.618 -8.845 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.207 -7.038 -9.131 1.00 0.00 C ATOM 1560 CG2 ILE A 100 3.709 -5.873 -7.510 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.013 -8.503 -8.734 1.00 0.00 C ATOM 0 H ILE A 100 3.434 -7.247 -11.250 1.00 0.00 H new ATOM 0 HA ILE A 100 3.568 -4.773 -9.952 1.00 0.00 H new ATOM 0 HB ILE A 100 4.284 -7.503 -8.795 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.516 -6.405 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.981 -6.904 -10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.358 -6.527 -6.712 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.737 -5.572 -7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.075 -4.988 -7.559 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.985 -8.802 -8.938 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.694 -9.129 -9.310 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.222 -8.623 -7.671 1.00 0.00 H new ATOM 1573 N ARG A 101 6.493 -6.096 -10.407 1.00 0.00 N ATOM 1574 CA ARG A 101 7.950 -5.837 -10.239 1.00 0.00 C ATOM 1575 C ARG A 101 8.327 -4.549 -10.974 1.00 0.00 C ATOM 1576 O ARG A 101 9.022 -3.704 -10.446 1.00 0.00 O ATOM 1577 CB ARG A 101 8.744 -7.009 -10.821 1.00 0.00 C ATOM 1578 CG ARG A 101 10.015 -7.223 -9.996 1.00 0.00 C ATOM 1579 CD ARG A 101 10.995 -6.079 -10.261 1.00 0.00 C ATOM 1580 NE ARG A 101 12.381 -6.618 -10.323 1.00 0.00 N ATOM 1581 CZ ARG A 101 12.876 -7.015 -11.463 1.00 0.00 C ATOM 1582 NH1 ARG A 101 12.644 -6.332 -12.549 1.00 0.00 N ATOM 1583 NH2 ARG A 101 13.605 -8.098 -11.517 1.00 0.00 N ATOM 0 H ARG A 101 6.258 -6.847 -11.056 1.00 0.00 H new ATOM 0 HA ARG A 101 8.182 -5.730 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.136 -7.914 -10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.002 -6.807 -11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.769 -7.267 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.474 -8.177 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.745 -5.581 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.919 -5.331 -9.472 1.00 0.00 H new ATOM 0 HE ARG A 101 12.944 -6.677 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.075 -5.486 -12.508 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.031 -6.643 -13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.787 -8.633 -10.668 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.992 -8.408 -12.408 1.00 0.00 H new ATOM 1597 N ASP A 102 7.874 -4.394 -12.187 1.00 0.00 N ATOM 1598 CA ASP A 102 8.207 -3.160 -12.953 1.00 0.00 C ATOM 1599 C ASP A 102 7.606 -1.944 -12.247 1.00 0.00 C ATOM 1600 O ASP A 102 7.934 -0.814 -12.549 1.00 0.00 O ATOM 1601 CB ASP A 102 7.631 -3.266 -14.366 1.00 0.00 C ATOM 1602 CG ASP A 102 8.270 -4.452 -15.090 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.475 -4.610 -14.977 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.546 -5.182 -15.746 1.00 0.00 O ATOM 0 H ASP A 102 7.288 -5.067 -12.681 1.00 0.00 H new ATOM 0 HA ASP A 102 9.290 -3.049 -13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.549 -3.394 -14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.820 -2.345 -14.917 1.00 0.00 H new ATOM 1609 N ALA A 103 6.729 -2.166 -11.307 1.00 0.00 N ATOM 1610 CA ALA A 103 6.109 -1.021 -10.583 1.00 0.00 C ATOM 1611 C ALA A 103 7.165 -0.350 -9.704 1.00 0.00 C ATOM 1612 O ALA A 103 7.479 0.812 -9.871 1.00 0.00 O ATOM 1613 CB ALA A 103 4.963 -1.529 -9.707 1.00 0.00 C ATOM 0 H ALA A 103 6.415 -3.090 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 103 5.720 -0.301 -11.303 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.510 -0.690 -9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.212 -2.011 -10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.349 -2.248 -8.985 1.00 0.00 H new ATOM 1619 N LEU A 104 7.721 -1.072 -8.770 1.00 0.00 N ATOM 1620 CA LEU A 104 8.759 -0.471 -7.889 1.00 0.00 C ATOM 1621 C LEU A 104 10.014 -0.184 -8.714 1.00 0.00 C ATOM 1622 O LEU A 104 10.800 0.684 -8.387 1.00 0.00 O ATOM 1623 CB LEU A 104 9.099 -1.446 -6.760 1.00 0.00 C ATOM 1624 CG LEU A 104 9.347 -2.837 -7.343 1.00 0.00 C ATOM 1625 CD1 LEU A 104 10.712 -3.349 -6.880 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.253 -3.792 -6.860 1.00 0.00 C ATOM 0 H LEU A 104 7.501 -2.050 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 104 8.383 0.458 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.983 -1.103 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.282 -1.483 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 104 9.330 -2.784 -8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 104 10.889 -4.341 -7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.491 -2.668 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.730 -3.403 -5.792 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.428 -4.785 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.271 -3.845 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.280 -3.427 -7.190 1.00 0.00 H new ATOM 1638 N GLU A 105 10.208 -0.905 -9.785 1.00 0.00 N ATOM 1639 CA GLU A 105 11.410 -0.670 -10.634 1.00 0.00 C ATOM 1640 C GLU A 105 11.485 0.813 -11.001 1.00 0.00 C ATOM 1641 O GLU A 105 12.522 1.439 -10.889 1.00 0.00 O ATOM 1642 CB GLU A 105 11.308 -1.508 -11.910 1.00 0.00 C ATOM 1643 CG GLU A 105 12.682 -2.086 -12.251 1.00 0.00 C ATOM 1644 CD GLU A 105 13.499 -1.043 -13.017 1.00 0.00 C ATOM 1645 OE1 GLU A 105 13.422 0.121 -12.660 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.187 -1.426 -13.948 1.00 0.00 O ATOM 0 H GLU A 105 9.586 -1.646 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 105 12.307 -0.957 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.587 -2.314 -11.772 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.946 -0.893 -12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.204 -2.374 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.570 -2.988 -12.852 1.00 0.00 H new ATOM 1653 N ASP A 106 10.395 1.382 -11.436 1.00 0.00 N ATOM 1654 CA ASP A 106 10.407 2.825 -11.805 1.00 0.00 C ATOM 1655 C ASP A 106 10.506 3.671 -10.534 1.00 0.00 C ATOM 1656 O ASP A 106 10.932 4.809 -10.564 1.00 0.00 O ATOM 1657 CB ASP A 106 9.116 3.172 -12.551 1.00 0.00 C ATOM 1658 CG ASP A 106 9.458 3.900 -13.853 1.00 0.00 C ATOM 1659 OD1 ASP A 106 10.214 3.349 -14.635 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.957 4.995 -14.044 1.00 0.00 O ATOM 0 H ASP A 106 9.498 0.911 -11.552 1.00 0.00 H new ATOM 0 HA ASP A 106 11.263 3.031 -12.448 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.553 2.264 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.481 3.800 -11.927 1.00 0.00 H new ATOM 1665 N ALA A 107 10.115 3.122 -9.417 1.00 0.00 N ATOM 1666 CA ALA A 107 10.187 3.891 -8.142 1.00 0.00 C ATOM 1667 C ALA A 107 11.647 4.018 -7.704 1.00 0.00 C ATOM 1668 O ALA A 107 11.997 4.874 -6.918 1.00 0.00 O ATOM 1669 CB ALA A 107 9.393 3.159 -7.058 1.00 0.00 C ATOM 0 H ALA A 107 9.749 2.174 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 107 9.765 4.884 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.446 3.722 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.352 3.068 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 107 9.815 2.165 -6.907 1.00 0.00 H new ATOM 1675 N LEU A 108 12.504 3.172 -8.209 1.00 0.00 N ATOM 1676 CA LEU A 108 13.940 3.247 -7.820 1.00 0.00 C ATOM 1677 C LEU A 108 14.658 4.257 -8.715 1.00 0.00 C ATOM 1678 O LEU A 108 15.683 4.803 -8.355 1.00 0.00 O ATOM 1679 CB LEU A 108 14.587 1.869 -7.988 1.00 0.00 C ATOM 1680 CG LEU A 108 15.424 1.544 -6.749 1.00 0.00 C ATOM 1681 CD1 LEU A 108 16.545 2.575 -6.604 1.00 0.00 C ATOM 1682 CD2 LEU A 108 14.529 1.583 -5.508 1.00 0.00 C ATOM 0 H LEU A 108 12.271 2.434 -8.873 1.00 0.00 H new ATOM 0 HA LEU A 108 14.018 3.562 -6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.818 1.109 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.216 1.857 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 108 15.859 0.550 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.141 2.343 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.181 2.548 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.113 3.570 -6.499 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.123 1.352 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.095 2.577 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.731 0.848 -5.612 1.00 0.00 H new ATOM 1694 N ASP A 109 14.129 4.512 -9.879 1.00 0.00 N ATOM 1695 CA ASP A 109 14.780 5.486 -10.799 1.00 0.00 C ATOM 1696 C ASP A 109 13.828 6.655 -11.060 1.00 0.00 C ATOM 1697 O ASP A 109 12.634 6.475 -11.200 1.00 0.00 O ATOM 1698 CB ASP A 109 15.113 4.794 -12.122 1.00 0.00 C ATOM 1699 CG ASP A 109 13.817 4.487 -12.876 1.00 0.00 C ATOM 1700 OD1 ASP A 109 13.150 5.426 -13.276 1.00 0.00 O ATOM 1701 OD2 ASP A 109 13.514 3.317 -13.039 1.00 0.00 O ATOM 0 H ASP A 109 13.272 4.087 -10.234 1.00 0.00 H new ATOM 0 HA ASP A 109 15.697 5.859 -10.344 1.00 0.00 H new ATOM 0 HB2 ASP A 109 15.756 5.433 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 109 15.664 3.873 -11.934 1.00 0.00 H new ATOM 1706 N VAL A 110 14.346 7.850 -11.129 1.00 0.00 N ATOM 1707 CA VAL A 110 13.469 9.027 -11.383 1.00 0.00 C ATOM 1708 C VAL A 110 13.851 9.669 -12.718 1.00 0.00 C ATOM 1709 O VAL A 110 13.117 10.468 -13.267 1.00 0.00 O ATOM 1710 CB VAL A 110 13.645 10.049 -10.260 1.00 0.00 C ATOM 1711 CG1 VAL A 110 12.508 11.070 -10.315 1.00 0.00 C ATOM 1712 CG2 VAL A 110 13.618 9.331 -8.908 1.00 0.00 C ATOM 0 H VAL A 110 15.338 8.062 -11.021 1.00 0.00 H new ATOM 0 HA VAL A 110 12.429 8.702 -11.418 1.00 0.00 H new ATOM 0 HB VAL A 110 14.600 10.561 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.634 11.798 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.525 11.582 -11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.553 10.558 -10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.743 10.059 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.663 8.819 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 110 14.428 8.603 -8.867 1.00 0.00 H new ATOM 1722 N ILE A 111 14.994 9.325 -13.247 1.00 0.00 N ATOM 1723 CA ILE A 111 15.422 9.916 -14.546 1.00 0.00 C ATOM 1724 C ILE A 111 16.240 8.889 -15.329 1.00 0.00 C ATOM 1725 O ILE A 111 15.796 7.757 -15.426 1.00 0.00 O ATOM 1726 CB ILE A 111 16.278 11.157 -14.283 1.00 0.00 C ATOM 1727 CG1 ILE A 111 17.441 10.787 -13.360 1.00 0.00 C ATOM 1728 CG2 ILE A 111 15.423 12.237 -13.618 1.00 0.00 C ATOM 1729 CD1 ILE A 111 18.762 11.207 -14.009 1.00 0.00 C ATOM 1730 OXT ILE A 111 17.296 9.252 -15.819 1.00 0.00 O ATOM 0 H ILE A 111 15.649 8.660 -12.835 1.00 0.00 H new ATOM 0 HA ILE A 111 14.542 10.197 -15.125 1.00 0.00 H new ATOM 0 HB ILE A 111 16.669 11.535 -15.228 1.00 0.00 H new ATOM 0 HG12 ILE A 111 17.325 11.281 -12.395 1.00 0.00 H new ATOM 0 HG13 ILE A 111 17.442 9.714 -13.171 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.033 13.120 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 111 14.594 12.501 -14.275 1.00 0.00 H new ATOM 0 HG23 ILE A 111 15.031 11.860 -12.673 1.00 0.00 H new ATOM 0 HD11 ILE A 111 19.590 10.943 -13.351 1.00 0.00 H new ATOM 0 HD12 ILE A 111 18.878 10.693 -14.963 1.00 0.00 H new ATOM 0 HD13 ILE A 111 18.759 12.284 -14.175 1.00 0.00 H new TER 1742 ILE A 111