USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=15 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 -80:sc= -0.167 USER MOD Set 1.2: A 89 SER OG : rot -170:sc= 0 USER MOD Single : A 1 VAL N :NH3+ 159:sc= -0.275 (180deg=-0.979) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00227 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc=6.04e-06 USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.035) USER MOD Single : A 27 SER OG : rot -63:sc= 0.365 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 51 THR OG1 : rot 134:sc= -1.53! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.2) USER MOD Single : A 99 CYS SG : rot 172:sc= -2.3 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 24.745 -5.637 2.757 1.00 0.00 N ATOM 2 CA VAL A 1 24.029 -4.417 2.288 1.00 0.00 C ATOM 3 C VAL A 1 22.519 -4.645 2.378 1.00 0.00 C ATOM 4 O VAL A 1 22.063 -5.645 2.897 1.00 0.00 O ATOM 5 CB VAL A 1 24.415 -4.128 0.837 1.00 0.00 C ATOM 6 CG1 VAL A 1 25.783 -3.444 0.800 1.00 0.00 C ATOM 7 CG2 VAL A 1 24.483 -5.442 0.056 1.00 0.00 C ATOM 0 H1 VAL A 1 25.714 -5.638 2.379 1.00 0.00 H new ATOM 0 H2 VAL A 1 24.779 -5.642 3.796 1.00 0.00 H new ATOM 0 H3 VAL A 1 24.243 -6.484 2.423 1.00 0.00 H new ATOM 0 HA VAL A 1 24.306 -3.569 2.915 1.00 0.00 H new ATOM 0 HB VAL A 1 23.668 -3.474 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 1 26.059 -3.238 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 1 25.737 -2.508 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 1 26.529 -4.098 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 1 24.758 -5.237 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 1 25.230 -6.095 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 1 23.509 -5.932 0.082 1.00 0.00 H new ATOM 19 N THR A 2 21.739 -3.726 1.879 1.00 0.00 N ATOM 20 CA THR A 2 20.259 -3.891 1.937 1.00 0.00 C ATOM 21 C THR A 2 19.763 -4.495 0.623 1.00 0.00 C ATOM 22 O THR A 2 20.488 -4.570 -0.350 1.00 0.00 O ATOM 23 CB THR A 2 19.602 -2.526 2.154 1.00 0.00 C ATOM 24 OG1 THR A 2 20.590 -1.585 2.554 1.00 0.00 O ATOM 25 CG2 THR A 2 18.532 -2.638 3.240 1.00 0.00 C ATOM 0 H THR A 2 22.063 -2.867 1.433 1.00 0.00 H new ATOM 0 HA THR A 2 19.998 -4.554 2.762 1.00 0.00 H new ATOM 0 HB THR A 2 19.138 -2.194 1.225 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.171 -0.710 2.692 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.065 -1.665 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.775 -3.359 2.932 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.992 -2.970 4.171 1.00 0.00 H new ATOM 33 N ALA A 3 18.534 -4.929 0.584 1.00 0.00 N ATOM 34 CA ALA A 3 17.996 -5.529 -0.669 1.00 0.00 C ATOM 35 C ALA A 3 16.470 -5.618 -0.583 1.00 0.00 C ATOM 36 O ALA A 3 15.898 -6.689 -0.625 1.00 0.00 O ATOM 37 CB ALA A 3 18.580 -6.931 -0.853 1.00 0.00 C ATOM 0 H ALA A 3 17.879 -4.894 1.365 1.00 0.00 H new ATOM 0 HA ALA A 3 18.273 -4.904 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.187 -7.371 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.666 -6.867 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.303 -7.555 -0.003 1.00 0.00 H new ATOM 43 N GLU A 4 15.808 -4.500 -0.464 1.00 0.00 N ATOM 44 CA GLU A 4 14.320 -4.523 -0.377 1.00 0.00 C ATOM 45 C GLU A 4 13.768 -3.137 -0.720 1.00 0.00 C ATOM 46 O GLU A 4 14.493 -2.258 -1.142 1.00 0.00 O ATOM 47 CB GLU A 4 13.897 -4.904 1.044 1.00 0.00 C ATOM 48 CG GLU A 4 14.422 -3.863 2.033 1.00 0.00 C ATOM 49 CD GLU A 4 14.516 -4.485 3.427 1.00 0.00 C ATOM 50 OE1 GLU A 4 14.365 -5.692 3.527 1.00 0.00 O ATOM 51 OE2 GLU A 4 14.737 -3.745 4.371 1.00 0.00 O ATOM 0 H GLU A 4 16.232 -3.573 -0.423 1.00 0.00 H new ATOM 0 HA GLU A 4 13.926 -5.256 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.810 -4.964 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.286 -5.890 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.402 -3.506 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.759 -2.998 2.053 1.00 0.00 H new ATOM 58 N ILE A 5 12.491 -2.934 -0.546 1.00 0.00 N ATOM 59 CA ILE A 5 11.897 -1.605 -0.866 1.00 0.00 C ATOM 60 C ILE A 5 10.768 -1.297 0.120 1.00 0.00 C ATOM 61 O ILE A 5 10.024 -2.170 0.518 1.00 0.00 O ATOM 62 CB ILE A 5 11.335 -1.625 -2.288 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.342 -2.295 -3.227 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.079 -0.192 -2.756 1.00 0.00 C ATOM 65 CD1 ILE A 5 11.808 -2.253 -4.660 1.00 0.00 C ATOM 0 H ILE A 5 11.833 -3.631 -0.196 1.00 0.00 H new ATOM 0 HA ILE A 5 12.668 -0.838 -0.789 1.00 0.00 H new ATOM 0 HB ILE A 5 10.399 -2.184 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.303 -1.785 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.511 -3.327 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.678 -0.206 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.361 0.286 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.014 0.367 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.524 -2.730 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.857 -2.783 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.662 -1.216 -4.964 1.00 0.00 H new ATOM 77 N ARG A 6 10.632 -0.060 0.511 1.00 0.00 N ATOM 78 CA ARG A 6 9.547 0.303 1.465 1.00 0.00 C ATOM 79 C ARG A 6 8.255 0.560 0.685 1.00 0.00 C ATOM 80 O ARG A 6 8.104 1.573 0.032 1.00 0.00 O ATOM 81 CB ARG A 6 9.940 1.569 2.231 1.00 0.00 C ATOM 82 CG ARG A 6 11.211 1.304 3.039 1.00 0.00 C ATOM 83 CD ARG A 6 11.263 2.256 4.235 1.00 0.00 C ATOM 84 NE ARG A 6 11.974 1.597 5.365 1.00 0.00 N ATOM 85 CZ ARG A 6 13.278 1.619 5.417 1.00 0.00 C ATOM 86 NH1 ARG A 6 13.914 2.756 5.355 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.945 0.503 5.531 1.00 0.00 N ATOM 0 H ARG A 6 11.225 0.714 0.211 1.00 0.00 H new ATOM 0 HA ARG A 6 9.394 -0.513 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.104 2.392 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.130 1.871 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.227 0.270 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.090 1.444 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.775 3.178 3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.253 2.531 4.538 1.00 0.00 H new ATOM 0 HE ARG A 6 11.442 1.128 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.392 3.628 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.933 2.773 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.447 -0.386 5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.964 0.520 5.572 1.00 0.00 H new ATOM 101 N LEU A 7 7.323 -0.351 0.742 1.00 0.00 N ATOM 102 CA LEU A 7 6.047 -0.154 -0.001 1.00 0.00 C ATOM 103 C LEU A 7 4.931 0.215 0.980 1.00 0.00 C ATOM 104 O LEU A 7 5.084 0.108 2.181 1.00 0.00 O ATOM 105 CB LEU A 7 5.677 -1.447 -0.731 1.00 0.00 C ATOM 106 CG LEU A 7 6.420 -1.512 -2.066 1.00 0.00 C ATOM 107 CD1 LEU A 7 7.888 -1.862 -1.817 1.00 0.00 C ATOM 108 CD2 LEU A 7 5.783 -2.588 -2.950 1.00 0.00 C ATOM 0 H LEU A 7 7.390 -1.221 1.270 1.00 0.00 H new ATOM 0 HA LEU A 7 6.172 0.651 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.935 -2.310 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.601 -1.486 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 7 6.357 -0.545 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.417 -1.908 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.342 -1.098 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.952 -2.829 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.311 -2.636 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.847 -3.555 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.736 -2.340 -3.128 1.00 0.00 H new ATOM 120 N TYR A 8 3.808 0.645 0.473 1.00 0.00 N ATOM 121 CA TYR A 8 2.675 1.017 1.367 1.00 0.00 C ATOM 122 C TYR A 8 1.356 0.824 0.616 1.00 0.00 C ATOM 123 O TYR A 8 1.019 1.584 -0.269 1.00 0.00 O ATOM 124 CB TYR A 8 2.814 2.481 1.789 1.00 0.00 C ATOM 125 CG TYR A 8 1.864 2.767 2.927 1.00 0.00 C ATOM 126 CD1 TYR A 8 2.102 2.217 4.193 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.742 3.581 2.717 1.00 0.00 C ATOM 128 CE1 TYR A 8 1.219 2.480 5.250 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.141 3.843 3.774 1.00 0.00 C ATOM 130 CZ TYR A 8 0.098 3.293 5.040 1.00 0.00 C ATOM 131 OH TYR A 8 -0.771 3.551 6.081 1.00 0.00 O ATOM 0 H TYR A 8 3.626 0.755 -0.525 1.00 0.00 H new ATOM 0 HA TYR A 8 2.687 0.384 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.839 2.687 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.596 3.136 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.966 1.590 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.558 4.006 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.403 2.056 6.226 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.006 4.469 3.612 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.495 4.132 5.767 1.00 0.00 H new ATOM 141 N ILE A 9 0.611 -0.191 0.956 1.00 0.00 N ATOM 142 CA ILE A 9 -0.681 -0.435 0.256 1.00 0.00 C ATOM 143 C ILE A 9 -1.843 0.029 1.138 1.00 0.00 C ATOM 144 O ILE A 9 -1.877 -0.232 2.324 1.00 0.00 O ATOM 145 CB ILE A 9 -0.831 -1.930 -0.030 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.478 -2.471 -0.611 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.963 -2.148 -1.036 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.406 -3.997 -0.695 1.00 0.00 C ATOM 0 H ILE A 9 0.841 -0.862 1.689 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.692 0.122 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.063 -2.455 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.651 -2.049 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.318 -2.170 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.069 -3.214 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.895 -1.763 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.732 -1.623 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.338 -4.383 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.253 -4.409 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.424 -4.287 -1.339 1.00 0.00 H new ATOM 160 N THR A 10 -2.797 0.711 0.567 1.00 0.00 N ATOM 161 CA THR A 10 -3.957 1.185 1.372 1.00 0.00 C ATOM 162 C THR A 10 -4.546 0.005 2.147 1.00 0.00 C ATOM 163 O THR A 10 -4.706 -1.078 1.619 1.00 0.00 O ATOM 164 CB THR A 10 -5.022 1.768 0.439 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.415 2.697 -0.447 1.00 0.00 O ATOM 166 CG2 THR A 10 -6.096 2.477 1.266 1.00 0.00 C ATOM 0 H THR A 10 -2.823 0.960 -0.422 1.00 0.00 H new ATOM 0 HA THR A 10 -3.629 1.955 2.071 1.00 0.00 H new ATOM 0 HB THR A 10 -5.481 0.963 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.006 3.470 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.853 2.891 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.562 1.764 1.946 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.639 3.282 1.842 1.00 0.00 H new ATOM 174 N GLU A 11 -4.869 0.202 3.395 1.00 0.00 N ATOM 175 CA GLU A 11 -5.443 -0.913 4.198 1.00 0.00 C ATOM 176 C GLU A 11 -6.728 -1.413 3.533 1.00 0.00 C ATOM 177 O GLU A 11 -7.593 -0.640 3.171 1.00 0.00 O ATOM 178 CB GLU A 11 -5.760 -0.416 5.610 1.00 0.00 C ATOM 179 CG GLU A 11 -5.356 -1.482 6.629 1.00 0.00 C ATOM 180 CD GLU A 11 -6.469 -1.647 7.666 1.00 0.00 C ATOM 181 OE1 GLU A 11 -6.825 -0.659 8.285 1.00 0.00 O ATOM 182 OE2 GLU A 11 -6.946 -2.759 7.822 1.00 0.00 O ATOM 0 H GLU A 11 -4.760 1.086 3.893 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.722 -1.728 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.225 0.513 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.824 -0.197 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.171 -2.430 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.426 -1.196 7.121 1.00 0.00 H new ATOM 189 N GLY A 12 -6.857 -2.701 3.372 1.00 0.00 N ATOM 190 CA GLY A 12 -8.085 -3.251 2.732 1.00 0.00 C ATOM 191 C GLY A 12 -8.779 -4.210 3.699 1.00 0.00 C ATOM 192 O GLY A 12 -8.143 -4.894 4.476 1.00 0.00 O ATOM 0 H GLY A 12 -6.166 -3.396 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.761 -2.440 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.825 -3.772 1.810 1.00 0.00 H new ATOM 196 N GLU A 13 -10.081 -4.265 3.657 1.00 0.00 N ATOM 197 CA GLU A 13 -10.818 -5.179 4.573 1.00 0.00 C ATOM 198 C GLU A 13 -11.526 -6.258 3.751 1.00 0.00 C ATOM 199 O GLU A 13 -12.424 -6.924 4.224 1.00 0.00 O ATOM 200 CB GLU A 13 -11.853 -4.377 5.367 1.00 0.00 C ATOM 201 CG GLU A 13 -11.266 -3.990 6.725 1.00 0.00 C ATOM 202 CD GLU A 13 -11.534 -5.109 7.734 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.577 -5.073 8.365 1.00 0.00 O ATOM 204 OE2 GLU A 13 -10.691 -5.983 7.858 1.00 0.00 O ATOM 0 H GLU A 13 -10.667 -3.716 3.028 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.117 -5.650 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.138 -3.482 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.758 -4.968 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.194 -3.817 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.711 -3.058 7.073 1.00 0.00 H new ATOM 211 N VAL A 14 -11.126 -6.433 2.521 1.00 0.00 N ATOM 212 CA VAL A 14 -11.773 -7.467 1.666 1.00 0.00 C ATOM 213 C VAL A 14 -10.839 -8.670 1.524 1.00 0.00 C ATOM 214 O VAL A 14 -9.800 -8.738 2.149 1.00 0.00 O ATOM 215 CB VAL A 14 -12.057 -6.876 0.283 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.173 -5.836 0.390 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.789 -6.208 -0.254 1.00 0.00 C ATOM 0 H VAL A 14 -10.379 -5.904 2.072 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.708 -7.787 2.126 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.367 -7.671 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.374 -5.416 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.076 -6.310 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.865 -5.040 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.989 -5.786 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.481 -5.413 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.993 -6.948 -0.331 1.00 0.00 H new ATOM 227 N GLU A 15 -11.200 -9.619 0.705 1.00 0.00 N ATOM 228 CA GLU A 15 -10.331 -10.816 0.523 1.00 0.00 C ATOM 229 C GLU A 15 -9.366 -10.571 -0.638 1.00 0.00 C ATOM 230 O GLU A 15 -8.430 -11.317 -0.850 1.00 0.00 O ATOM 231 CB GLU A 15 -11.199 -12.037 0.214 1.00 0.00 C ATOM 232 CG GLU A 15 -10.351 -13.307 0.322 1.00 0.00 C ATOM 233 CD GLU A 15 -10.210 -13.704 1.792 1.00 0.00 C ATOM 234 OE1 GLU A 15 -9.518 -13.003 2.512 1.00 0.00 O ATOM 235 OE2 GLU A 15 -10.797 -14.703 2.174 1.00 0.00 O ATOM 0 H GLU A 15 -12.058 -9.618 0.154 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.765 -10.996 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.037 -12.086 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.621 -11.953 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.816 -14.116 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.367 -13.138 -0.116 1.00 0.00 H new ATOM 242 N ASP A 16 -9.586 -9.531 -1.394 1.00 0.00 N ATOM 243 CA ASP A 16 -8.682 -9.239 -2.541 1.00 0.00 C ATOM 244 C ASP A 16 -7.345 -8.712 -2.017 1.00 0.00 C ATOM 245 O ASP A 16 -6.305 -8.941 -2.602 1.00 0.00 O ATOM 246 CB ASP A 16 -9.328 -8.184 -3.443 1.00 0.00 C ATOM 247 CG ASP A 16 -10.750 -8.619 -3.801 1.00 0.00 C ATOM 248 OD1 ASP A 16 -11.225 -9.573 -3.208 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.340 -7.989 -4.664 1.00 0.00 O ATOM 0 H ASP A 16 -10.353 -8.871 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.513 -10.152 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.348 -7.220 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.737 -8.054 -4.350 1.00 0.00 H new ATOM 254 N TYR A 17 -7.361 -8.009 -0.918 1.00 0.00 N ATOM 255 CA TYR A 17 -6.088 -7.470 -0.361 1.00 0.00 C ATOM 256 C TYR A 17 -5.257 -8.620 0.212 1.00 0.00 C ATOM 257 O TYR A 17 -4.043 -8.575 0.227 1.00 0.00 O ATOM 258 CB TYR A 17 -6.398 -6.463 0.747 1.00 0.00 C ATOM 259 CG TYR A 17 -5.105 -5.908 1.294 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.334 -6.672 2.181 1.00 0.00 C ATOM 261 CD2 TYR A 17 -4.676 -4.630 0.914 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.134 -6.157 2.687 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.475 -4.115 1.421 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.704 -4.879 2.307 1.00 0.00 C ATOM 265 OH TYR A 17 -1.522 -4.371 2.806 1.00 0.00 O ATOM 0 H TYR A 17 -8.199 -7.785 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.527 -6.974 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.017 -5.655 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.966 -6.944 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.665 -7.657 2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.270 -4.042 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.540 -6.745 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.144 -3.129 1.129 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.900 -5.107 2.987 1.00 0.00 H new ATOM 275 N ARG A 18 -5.901 -9.653 0.682 1.00 0.00 N ATOM 276 CA ARG A 18 -5.147 -10.804 1.252 1.00 0.00 C ATOM 277 C ARG A 18 -4.535 -11.622 0.112 1.00 0.00 C ATOM 278 O ARG A 18 -3.370 -11.963 0.136 1.00 0.00 O ATOM 279 CB ARG A 18 -6.100 -11.686 2.062 1.00 0.00 C ATOM 280 CG ARG A 18 -6.658 -10.885 3.241 1.00 0.00 C ATOM 281 CD ARG A 18 -5.786 -11.117 4.476 1.00 0.00 C ATOM 282 NE ARG A 18 -6.465 -10.557 5.679 1.00 0.00 N ATOM 283 CZ ARG A 18 -7.104 -9.422 5.598 1.00 0.00 C ATOM 284 NH1 ARG A 18 -6.482 -8.350 5.188 1.00 0.00 N ATOM 285 NH2 ARG A 18 -8.365 -9.357 5.929 1.00 0.00 N ATOM 0 H ARG A 18 -6.916 -9.749 0.696 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.354 -10.436 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.915 -12.037 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.575 -12.570 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.682 -9.824 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.685 -11.188 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.605 -12.183 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.813 -10.644 4.341 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.430 -11.061 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.496 -8.399 4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.982 -7.463 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.851 -10.194 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.864 -8.470 5.865 1.00 0.00 H new ATOM 299 N VAL A 19 -5.312 -11.937 -0.888 1.00 0.00 N ATOM 300 CA VAL A 19 -4.773 -12.729 -2.029 1.00 0.00 C ATOM 301 C VAL A 19 -3.647 -11.944 -2.705 1.00 0.00 C ATOM 302 O VAL A 19 -2.635 -12.496 -3.088 1.00 0.00 O ATOM 303 CB VAL A 19 -5.891 -12.991 -3.040 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.323 -13.737 -4.249 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.981 -13.841 -2.383 1.00 0.00 C ATOM 0 H VAL A 19 -6.296 -11.680 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.385 -13.679 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.315 -12.042 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.120 -13.923 -4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.545 -13.133 -4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.898 -14.687 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.779 -14.029 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.555 -14.790 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.386 -13.310 -1.522 1.00 0.00 H new ATOM 315 N PHE A 20 -3.815 -10.658 -2.855 1.00 0.00 N ATOM 316 CA PHE A 20 -2.755 -9.838 -3.507 1.00 0.00 C ATOM 317 C PHE A 20 -1.493 -9.860 -2.642 1.00 0.00 C ATOM 318 O PHE A 20 -0.433 -10.256 -3.084 1.00 0.00 O ATOM 319 CB PHE A 20 -3.248 -8.397 -3.657 1.00 0.00 C ATOM 320 CG PHE A 20 -2.481 -7.713 -4.763 1.00 0.00 C ATOM 321 CD1 PHE A 20 -2.266 -8.373 -5.980 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.985 -6.414 -4.574 1.00 0.00 C ATOM 323 CE1 PHE A 20 -1.556 -7.736 -7.008 1.00 0.00 C ATOM 324 CE2 PHE A 20 -1.276 -5.779 -5.601 1.00 0.00 C ATOM 325 CZ PHE A 20 -1.061 -6.440 -6.817 1.00 0.00 C ATOM 0 H PHE A 20 -4.641 -10.140 -2.554 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.528 -10.248 -4.491 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.315 -8.388 -3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.115 -7.857 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.647 -9.373 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.150 -5.904 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.391 -8.245 -7.946 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.895 -4.779 -5.455 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.513 -5.950 -7.608 1.00 0.00 H new ATOM 335 N LEU A 21 -1.597 -9.436 -1.413 1.00 0.00 N ATOM 336 CA LEU A 21 -0.404 -9.432 -0.521 1.00 0.00 C ATOM 337 C LEU A 21 0.187 -10.841 -0.456 1.00 0.00 C ATOM 338 O LEU A 21 1.347 -11.025 -0.149 1.00 0.00 O ATOM 339 CB LEU A 21 -0.817 -8.986 0.883 1.00 0.00 C ATOM 340 CG LEU A 21 0.263 -8.074 1.466 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.268 -6.741 0.715 1.00 0.00 C ATOM 342 CD2 LEU A 21 -0.028 -7.824 2.946 1.00 0.00 C ATOM 0 H LEU A 21 -2.458 -9.092 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 21 0.342 -8.742 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.770 -8.459 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.960 -9.855 1.525 1.00 0.00 H new ATOM 0 HG LEU A 21 1.237 -8.552 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.038 -6.092 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.475 -6.919 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.705 -6.262 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.741 -7.174 3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.002 -7.346 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.031 -8.773 3.482 1.00 0.00 H new ATOM 354 N GLU A 22 -0.603 -11.840 -0.745 1.00 0.00 N ATOM 355 CA GLU A 22 -0.086 -13.235 -0.701 1.00 0.00 C ATOM 356 C GLU A 22 0.886 -13.453 -1.863 1.00 0.00 C ATOM 357 O GLU A 22 2.019 -13.847 -1.671 1.00 0.00 O ATOM 358 CB GLU A 22 -1.253 -14.216 -0.825 1.00 0.00 C ATOM 359 CG GLU A 22 -1.905 -14.410 0.546 1.00 0.00 C ATOM 360 CD GLU A 22 -3.224 -15.167 0.381 1.00 0.00 C ATOM 361 OE1 GLU A 22 -3.605 -15.415 -0.751 1.00 0.00 O ATOM 362 OE2 GLU A 22 -3.831 -15.485 1.391 1.00 0.00 O ATOM 0 H GLU A 22 -1.584 -11.749 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 22 0.430 -13.402 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.986 -13.838 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.899 -15.172 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.235 -14.964 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.085 -13.443 1.015 1.00 0.00 H new ATOM 369 N ARG A 23 0.449 -13.198 -3.066 1.00 0.00 N ATOM 370 CA ARG A 23 1.346 -13.391 -4.240 1.00 0.00 C ATOM 371 C ARG A 23 2.601 -12.533 -4.070 1.00 0.00 C ATOM 372 O ARG A 23 3.677 -12.899 -4.503 1.00 0.00 O ATOM 373 CB ARG A 23 0.612 -12.970 -5.515 1.00 0.00 C ATOM 374 CG ARG A 23 1.140 -13.783 -6.698 1.00 0.00 C ATOM 375 CD ARG A 23 0.534 -13.248 -7.996 1.00 0.00 C ATOM 376 NE ARG A 23 0.408 -14.360 -8.979 1.00 0.00 N ATOM 377 CZ ARG A 23 -0.754 -14.916 -9.192 1.00 0.00 C ATOM 378 NH1 ARG A 23 -1.500 -15.273 -8.183 1.00 0.00 N ATOM 379 NH2 ARG A 23 -1.166 -15.117 -10.413 1.00 0.00 N ATOM 0 H ARG A 23 -0.489 -12.865 -3.286 1.00 0.00 H new ATOM 0 HA ARG A 23 1.630 -14.441 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.460 -13.129 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.758 -11.905 -5.697 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.227 -13.721 -6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.886 -14.835 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.444 -12.809 -7.800 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.162 -12.456 -8.404 1.00 0.00 H new ATOM 0 HE ARG A 23 1.230 -14.687 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.175 -15.118 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.408 -15.707 -8.349 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.581 -14.840 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.074 -15.551 -10.580 1.00 0.00 H new ATOM 393 N LEU A 24 2.474 -11.396 -3.446 1.00 0.00 N ATOM 394 CA LEU A 24 3.660 -10.516 -3.250 1.00 0.00 C ATOM 395 C LEU A 24 4.762 -11.294 -2.527 1.00 0.00 C ATOM 396 O LEU A 24 5.859 -11.442 -3.025 1.00 0.00 O ATOM 397 CB LEU A 24 3.261 -9.299 -2.411 1.00 0.00 C ATOM 398 CG LEU A 24 3.649 -8.018 -3.150 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.890 -7.942 -4.477 1.00 0.00 C ATOM 400 CD2 LEU A 24 3.291 -6.806 -2.288 1.00 0.00 C ATOM 0 H LEU A 24 1.599 -11.037 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 24 4.028 -10.184 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.188 -9.311 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.756 -9.335 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 24 4.721 -8.022 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.167 -7.028 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.144 -8.806 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.817 -7.938 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.567 -5.892 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.219 -6.803 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.832 -6.859 -1.343 1.00 0.00 H new ATOM 412 N GLU A 25 4.478 -11.791 -1.354 1.00 0.00 N ATOM 413 CA GLU A 25 5.511 -12.555 -0.600 1.00 0.00 C ATOM 414 C GLU A 25 5.760 -13.900 -1.287 1.00 0.00 C ATOM 415 O GLU A 25 6.773 -14.538 -1.074 1.00 0.00 O ATOM 416 CB GLU A 25 5.024 -12.797 0.830 1.00 0.00 C ATOM 417 CG GLU A 25 5.654 -11.762 1.764 1.00 0.00 C ATOM 418 CD GLU A 25 4.975 -11.828 3.133 1.00 0.00 C ATOM 419 OE1 GLU A 25 5.412 -12.621 3.951 1.00 0.00 O ATOM 420 OE2 GLU A 25 4.031 -11.084 3.342 1.00 0.00 O ATOM 0 H GLU A 25 3.576 -11.701 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 25 6.438 -11.983 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.937 -12.727 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.292 -13.804 1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.722 -11.952 1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.547 -10.763 1.341 1.00 0.00 H new ATOM 427 N GLN A 26 4.847 -14.337 -2.109 1.00 0.00 N ATOM 428 CA GLN A 26 5.037 -15.641 -2.806 1.00 0.00 C ATOM 429 C GLN A 26 6.300 -15.576 -3.668 1.00 0.00 C ATOM 430 O GLN A 26 7.075 -16.510 -3.720 1.00 0.00 O ATOM 431 CB GLN A 26 3.826 -15.928 -3.697 1.00 0.00 C ATOM 432 CG GLN A 26 4.145 -17.092 -4.636 1.00 0.00 C ATOM 433 CD GLN A 26 2.949 -18.045 -4.696 1.00 0.00 C ATOM 434 OE1 GLN A 26 3.118 -19.245 -4.775 1.00 0.00 O ATOM 435 NE2 GLN A 26 1.740 -17.557 -4.663 1.00 0.00 N ATOM 0 H GLN A 26 3.979 -13.849 -2.328 1.00 0.00 H new ATOM 0 HA GLN A 26 5.139 -16.436 -2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.959 -16.170 -3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.569 -15.041 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.374 -16.716 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.029 -17.624 -4.285 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.599 -16.549 -4.597 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.936 -18.183 -4.704 1.00 0.00 H new ATOM 444 N SER A 27 6.514 -14.480 -4.343 1.00 0.00 N ATOM 445 CA SER A 27 7.727 -14.360 -5.199 1.00 0.00 C ATOM 446 C SER A 27 7.671 -13.048 -5.984 1.00 0.00 C ATOM 447 O SER A 27 7.367 -13.028 -7.159 1.00 0.00 O ATOM 448 CB SER A 27 7.782 -15.536 -6.174 1.00 0.00 C ATOM 449 OG SER A 27 8.779 -15.288 -7.154 1.00 0.00 O ATOM 0 H SER A 27 5.902 -13.664 -4.339 1.00 0.00 H new ATOM 0 HA SER A 27 8.617 -14.368 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.005 -16.458 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.812 -15.672 -6.652 1.00 0.00 H new ATOM 0 HG SER A 27 8.539 -14.491 -7.671 1.00 0.00 H new ATOM 455 N GLY A 28 7.965 -11.950 -5.341 1.00 0.00 N ATOM 456 CA GLY A 28 7.932 -10.637 -6.046 1.00 0.00 C ATOM 457 C GLY A 28 8.873 -9.662 -5.338 1.00 0.00 C ATOM 458 O GLY A 28 8.466 -8.613 -4.879 1.00 0.00 O ATOM 0 H GLY A 28 8.227 -11.906 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.234 -10.762 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.917 -10.240 -6.054 1.00 0.00 H new ATOM 462 N LEU A 29 10.128 -10.004 -5.239 1.00 0.00 N ATOM 463 CA LEU A 29 11.096 -9.101 -4.556 1.00 0.00 C ATOM 464 C LEU A 29 10.676 -8.921 -3.096 1.00 0.00 C ATOM 465 O LEU A 29 9.547 -9.182 -2.729 1.00 0.00 O ATOM 466 CB LEU A 29 11.114 -7.741 -5.256 1.00 0.00 C ATOM 467 CG LEU A 29 12.441 -7.568 -5.995 1.00 0.00 C ATOM 468 CD1 LEU A 29 12.174 -7.093 -7.425 1.00 0.00 C ATOM 469 CD2 LEU A 29 13.299 -6.531 -5.268 1.00 0.00 C ATOM 0 H LEU A 29 10.525 -10.871 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 29 12.093 -9.539 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.283 -7.670 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.985 -6.942 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 29 12.966 -8.523 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.121 -6.970 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.563 -7.831 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.647 -6.139 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 29 14.245 -6.408 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.772 -5.577 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.492 -6.868 -4.250 1.00 0.00 H new ATOM 481 N GLU A 30 11.574 -8.481 -2.259 1.00 0.00 N ATOM 482 CA GLU A 30 11.224 -8.291 -0.824 1.00 0.00 C ATOM 483 C GLU A 30 10.812 -6.836 -0.585 1.00 0.00 C ATOM 484 O GLU A 30 11.294 -5.929 -1.233 1.00 0.00 O ATOM 485 CB GLU A 30 12.436 -8.628 0.046 1.00 0.00 C ATOM 486 CG GLU A 30 12.100 -9.818 0.947 1.00 0.00 C ATOM 487 CD GLU A 30 12.326 -9.433 2.411 1.00 0.00 C ATOM 488 OE1 GLU A 30 13.445 -9.079 2.743 1.00 0.00 O ATOM 489 OE2 GLU A 30 11.376 -9.500 3.173 1.00 0.00 O ATOM 0 H GLU A 30 12.535 -8.245 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 30 10.395 -8.949 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.294 -8.865 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.713 -7.766 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.064 -10.120 0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.723 -10.673 0.685 1.00 0.00 H new ATOM 496 N TRP A 31 9.922 -6.609 0.341 1.00 0.00 N ATOM 497 CA TRP A 31 9.477 -5.216 0.624 1.00 0.00 C ATOM 498 C TRP A 31 9.089 -5.093 2.099 1.00 0.00 C ATOM 499 O TRP A 31 9.067 -6.064 2.829 1.00 0.00 O ATOM 500 CB TRP A 31 8.270 -4.878 -0.252 1.00 0.00 C ATOM 501 CG TRP A 31 7.153 -5.826 0.048 1.00 0.00 C ATOM 502 CD1 TRP A 31 6.895 -6.963 -0.639 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.145 -5.741 1.096 1.00 0.00 C ATOM 504 NE1 TRP A 31 5.791 -7.582 -0.078 1.00 0.00 N ATOM 505 CE2 TRP A 31 5.294 -6.868 0.994 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.889 -4.805 2.117 1.00 0.00 C ATOM 507 CZ2 TRP A 31 4.225 -7.058 1.873 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.815 -4.993 3.004 1.00 0.00 C ATOM 509 CH2 TRP A 31 3.985 -6.118 2.881 1.00 0.00 C ATOM 0 H TRP A 31 9.483 -7.329 0.915 1.00 0.00 H new ATOM 0 HA TRP A 31 10.290 -4.524 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.950 -3.852 -0.068 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.543 -4.943 -1.305 1.00 0.00 H new ATOM 0 HD1 TRP A 31 7.458 -7.328 -1.486 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.393 -8.459 -0.415 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.523 -3.936 2.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.588 -7.925 1.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.628 -4.269 3.783 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.161 -6.258 3.565 1.00 0.00 H new ATOM 520 N ARG A 32 8.785 -3.906 2.541 1.00 0.00 N ATOM 521 CA ARG A 32 8.400 -3.717 3.968 1.00 0.00 C ATOM 522 C ARG A 32 7.298 -2.656 4.064 1.00 0.00 C ATOM 523 O ARG A 32 7.261 -1.731 3.277 1.00 0.00 O ATOM 524 CB ARG A 32 9.623 -3.256 4.767 1.00 0.00 C ATOM 525 CG ARG A 32 10.079 -4.381 5.700 1.00 0.00 C ATOM 526 CD ARG A 32 11.292 -5.088 5.092 1.00 0.00 C ATOM 527 NE ARG A 32 12.252 -5.450 6.173 1.00 0.00 N ATOM 528 CZ ARG A 32 12.134 -6.589 6.799 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.950 -7.047 7.102 1.00 0.00 N ATOM 530 NH2 ARG A 32 13.200 -7.271 7.119 1.00 0.00 N ATOM 0 H ARG A 32 8.786 -3.057 1.976 1.00 0.00 H new ATOM 0 HA ARG A 32 8.033 -4.659 4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.431 -2.982 4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.377 -2.366 5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.334 -3.975 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.268 -5.093 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.974 -5.984 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.777 -4.438 4.363 1.00 0.00 H new ATOM 0 HE ARG A 32 13.002 -4.806 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.117 -6.515 6.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.857 -7.937 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.125 -6.914 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.108 -8.161 7.608 1.00 0.00 H new ATOM 544 N PRO A 33 6.433 -2.822 5.032 1.00 0.00 N ATOM 545 CA PRO A 33 5.314 -1.893 5.266 1.00 0.00 C ATOM 546 C PRO A 33 5.812 -0.625 5.964 1.00 0.00 C ATOM 547 O PRO A 33 6.076 -0.620 7.150 1.00 0.00 O ATOM 548 CB PRO A 33 4.372 -2.687 6.175 1.00 0.00 C ATOM 549 CG PRO A 33 5.238 -3.772 6.859 1.00 0.00 C ATOM 550 CD PRO A 33 6.492 -3.951 5.983 1.00 0.00 C ATOM 0 HA PRO A 33 4.830 -1.562 4.347 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.907 -2.037 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.566 -3.140 5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.511 -3.469 7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.688 -4.709 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.403 -3.921 6.581 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.482 -4.910 5.464 1.00 0.00 H new ATOM 558 N ALA A 34 5.943 0.452 5.237 1.00 0.00 N ATOM 559 CA ALA A 34 6.425 1.716 5.861 1.00 0.00 C ATOM 560 C ALA A 34 5.236 2.640 6.132 1.00 0.00 C ATOM 561 O ALA A 34 4.093 2.244 6.026 1.00 0.00 O ATOM 562 CB ALA A 34 7.407 2.411 4.915 1.00 0.00 C ATOM 0 H ALA A 34 5.737 0.510 4.240 1.00 0.00 H new ATOM 0 HA ALA A 34 6.927 1.487 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.760 3.336 5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.256 1.754 4.724 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.906 2.639 3.974 1.00 0.00 H new ATOM 568 N THR A 35 5.497 3.870 6.484 1.00 0.00 N ATOM 569 CA THR A 35 4.383 4.817 6.765 1.00 0.00 C ATOM 570 C THR A 35 3.870 5.412 5.450 1.00 0.00 C ATOM 571 O THR A 35 4.494 5.262 4.418 1.00 0.00 O ATOM 572 CB THR A 35 4.890 5.945 7.667 1.00 0.00 C ATOM 573 OG1 THR A 35 6.310 5.982 7.624 1.00 0.00 O ATOM 574 CG2 THR A 35 4.428 5.694 9.105 1.00 0.00 C ATOM 0 H THR A 35 6.434 4.259 6.589 1.00 0.00 H new ATOM 0 HA THR A 35 3.573 4.285 7.263 1.00 0.00 H new ATOM 0 HB THR A 35 4.491 6.898 7.319 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.636 6.705 8.200 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.788 6.497 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.339 5.664 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.827 4.742 9.454 1.00 0.00 H new ATOM 582 N PRO A 36 2.742 6.071 5.530 1.00 0.00 N ATOM 583 CA PRO A 36 2.109 6.707 4.361 1.00 0.00 C ATOM 584 C PRO A 36 2.818 8.022 4.021 1.00 0.00 C ATOM 585 O PRO A 36 2.555 8.633 3.004 1.00 0.00 O ATOM 586 CB PRO A 36 0.674 6.965 4.828 1.00 0.00 C ATOM 587 CG PRO A 36 0.716 6.993 6.374 1.00 0.00 C ATOM 588 CD PRO A 36 1.995 6.244 6.793 1.00 0.00 C ATOM 0 HA PRO A 36 2.155 6.095 3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.301 7.910 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.003 6.183 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.729 8.019 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.169 6.515 6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.571 6.815 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.762 5.284 7.253 1.00 0.00 H new ATOM 596 N GLU A 37 3.713 8.460 4.864 1.00 0.00 N ATOM 597 CA GLU A 37 4.435 9.734 4.587 1.00 0.00 C ATOM 598 C GLU A 37 5.872 9.424 4.157 1.00 0.00 C ATOM 599 O GLU A 37 6.613 10.300 3.760 1.00 0.00 O ATOM 600 CB GLU A 37 4.456 10.596 5.851 1.00 0.00 C ATOM 601 CG GLU A 37 4.352 12.073 5.465 1.00 0.00 C ATOM 602 CD GLU A 37 3.901 12.887 6.680 1.00 0.00 C ATOM 603 OE1 GLU A 37 3.321 12.301 7.579 1.00 0.00 O ATOM 604 OE2 GLU A 37 4.144 14.083 6.691 1.00 0.00 O ATOM 0 H GLU A 37 3.975 7.991 5.731 1.00 0.00 H new ATOM 0 HA GLU A 37 3.925 10.273 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.628 10.321 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.375 10.419 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.316 12.436 5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.642 12.197 4.647 1.00 0.00 H new ATOM 611 N ASP A 38 6.271 8.183 4.234 1.00 0.00 N ATOM 612 CA ASP A 38 7.659 7.823 3.829 1.00 0.00 C ATOM 613 C ASP A 38 7.669 6.415 3.231 1.00 0.00 C ATOM 614 O ASP A 38 8.417 5.554 3.652 1.00 0.00 O ATOM 615 CB ASP A 38 8.575 7.861 5.054 1.00 0.00 C ATOM 616 CG ASP A 38 10.036 7.876 4.598 1.00 0.00 C ATOM 617 OD1 ASP A 38 10.475 8.907 4.117 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.690 6.856 4.739 1.00 0.00 O ATOM 0 H ASP A 38 5.697 7.405 4.559 1.00 0.00 H new ATOM 0 HA ASP A 38 8.015 8.536 3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.361 8.745 5.654 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.389 6.994 5.687 1.00 0.00 H new ATOM 623 N ALA A 39 6.847 6.172 2.247 1.00 0.00 N ATOM 624 CA ALA A 39 6.813 4.821 1.620 1.00 0.00 C ATOM 625 C ALA A 39 7.505 4.876 0.257 1.00 0.00 C ATOM 626 O ALA A 39 7.152 5.665 -0.598 1.00 0.00 O ATOM 627 CB ALA A 39 5.359 4.379 1.435 1.00 0.00 C ATOM 0 H ALA A 39 6.197 6.851 1.850 1.00 0.00 H new ATOM 0 HA ALA A 39 7.330 4.109 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.335 3.391 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.864 4.341 2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.842 5.090 0.791 1.00 0.00 H new ATOM 633 N ASP A 40 8.490 4.047 0.047 1.00 0.00 N ATOM 634 CA ASP A 40 9.204 4.056 -1.260 1.00 0.00 C ATOM 635 C ASP A 40 8.190 3.945 -2.400 1.00 0.00 C ATOM 636 O ASP A 40 8.407 4.446 -3.485 1.00 0.00 O ATOM 637 CB ASP A 40 10.170 2.871 -1.321 1.00 0.00 C ATOM 638 CG ASP A 40 11.273 3.164 -2.339 1.00 0.00 C ATOM 639 OD1 ASP A 40 11.840 4.242 -2.275 1.00 0.00 O ATOM 640 OD2 ASP A 40 11.532 2.306 -3.168 1.00 0.00 O ATOM 0 H ASP A 40 8.831 3.364 0.724 1.00 0.00 H new ATOM 0 HA ASP A 40 9.762 4.987 -1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.606 2.692 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.633 1.965 -1.601 1.00 0.00 H new ATOM 645 N ALA A 41 7.084 3.292 -2.167 1.00 0.00 N ATOM 646 CA ALA A 41 6.064 3.151 -3.245 1.00 0.00 C ATOM 647 C ALA A 41 4.663 3.113 -2.628 1.00 0.00 C ATOM 648 O ALA A 41 4.366 2.291 -1.784 1.00 0.00 O ATOM 649 CB ALA A 41 6.312 1.855 -4.016 1.00 0.00 C ATOM 0 H ALA A 41 6.843 2.851 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 41 6.139 4.001 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.566 1.752 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.307 1.880 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.240 1.007 -3.335 1.00 0.00 H new ATOM 655 N VAL A 42 3.798 3.993 -3.052 1.00 0.00 N ATOM 656 CA VAL A 42 2.413 4.005 -2.501 1.00 0.00 C ATOM 657 C VAL A 42 1.490 3.244 -3.455 1.00 0.00 C ATOM 658 O VAL A 42 1.023 3.780 -4.439 1.00 0.00 O ATOM 659 CB VAL A 42 1.932 5.451 -2.366 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.483 5.465 -1.877 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.816 6.189 -1.359 1.00 0.00 C ATOM 0 H VAL A 42 3.990 4.705 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 42 2.401 3.529 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 42 1.992 5.945 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.141 6.496 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.148 4.939 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.421 4.971 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.474 7.220 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.755 5.694 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.849 6.180 -1.707 1.00 0.00 H new ATOM 671 N ILE A 43 1.235 1.995 -3.178 1.00 0.00 N ATOM 672 CA ILE A 43 0.353 1.200 -4.078 1.00 0.00 C ATOM 673 C ILE A 43 -1.095 1.274 -3.591 1.00 0.00 C ATOM 674 O ILE A 43 -1.458 0.679 -2.595 1.00 0.00 O ATOM 675 CB ILE A 43 0.818 -0.257 -4.086 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.183 -0.348 -4.772 1.00 0.00 C ATOM 677 CG2 ILE A 43 -0.193 -1.112 -4.851 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.842 -1.683 -4.427 1.00 0.00 C ATOM 0 H ILE A 43 1.598 1.491 -2.369 1.00 0.00 H new ATOM 0 HA ILE A 43 0.409 1.608 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 43 0.898 -0.620 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.065 -0.257 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.819 0.477 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.139 -2.150 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.167 -1.045 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.273 -0.751 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.814 -1.746 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.974 -1.755 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.209 -2.501 -4.771 1.00 0.00 H new ATOM 690 N VAL A 44 -1.926 1.999 -4.289 1.00 0.00 N ATOM 691 CA VAL A 44 -3.353 2.114 -3.875 1.00 0.00 C ATOM 692 C VAL A 44 -4.161 0.974 -4.501 1.00 0.00 C ATOM 693 O VAL A 44 -4.044 0.691 -5.676 1.00 0.00 O ATOM 694 CB VAL A 44 -3.911 3.454 -4.354 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.338 3.631 -3.834 1.00 0.00 C ATOM 696 CG2 VAL A 44 -3.030 4.587 -3.827 1.00 0.00 C ATOM 0 H VAL A 44 -1.677 2.518 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.423 2.054 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.920 3.476 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.734 4.587 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.965 2.823 -4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.333 3.610 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.426 5.544 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.022 4.565 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.014 4.461 -4.200 1.00 0.00 H new ATOM 706 N LEU A 45 -4.982 0.320 -3.726 1.00 0.00 N ATOM 707 CA LEU A 45 -5.798 -0.798 -4.279 1.00 0.00 C ATOM 708 C LEU A 45 -7.100 -0.241 -4.856 1.00 0.00 C ATOM 709 O LEU A 45 -7.886 0.371 -4.160 1.00 0.00 O ATOM 710 CB LEU A 45 -6.119 -1.794 -3.163 1.00 0.00 C ATOM 711 CG LEU A 45 -5.572 -3.172 -3.536 1.00 0.00 C ATOM 712 CD1 LEU A 45 -6.278 -3.682 -4.793 1.00 0.00 C ATOM 713 CD2 LEU A 45 -4.069 -3.066 -3.804 1.00 0.00 C ATOM 0 H LEU A 45 -5.123 0.511 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.238 -1.303 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.679 -1.458 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.197 -1.848 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.749 -3.867 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.886 -4.664 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.349 -3.757 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.103 -2.989 -5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.677 -4.048 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.894 -2.370 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.564 -2.704 -2.908 1.00 0.00 H new ATOM 725 N ALA A 46 -7.337 -0.449 -6.122 1.00 0.00 N ATOM 726 CA ALA A 46 -8.590 0.069 -6.740 1.00 0.00 C ATOM 727 C ALA A 46 -9.786 -0.726 -6.211 1.00 0.00 C ATOM 728 O ALA A 46 -10.922 -0.320 -6.349 1.00 0.00 O ATOM 729 CB ALA A 46 -8.509 -0.082 -8.261 1.00 0.00 C ATOM 0 H ALA A 46 -6.717 -0.955 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.712 1.122 -6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.425 0.297 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.657 0.484 -8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.387 -1.135 -8.516 1.00 0.00 H new ATOM 735 N GLY A 47 -9.540 -1.857 -5.609 1.00 0.00 N ATOM 736 CA GLY A 47 -10.664 -2.678 -5.075 1.00 0.00 C ATOM 737 C GLY A 47 -11.340 -1.935 -3.921 1.00 0.00 C ATOM 738 O GLY A 47 -12.484 -2.185 -3.595 1.00 0.00 O ATOM 0 H GLY A 47 -8.609 -2.248 -5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.388 -2.879 -5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.291 -3.643 -4.731 1.00 0.00 H new ATOM 742 N LEU A 48 -10.643 -1.026 -3.297 1.00 0.00 N ATOM 743 CA LEU A 48 -11.248 -0.271 -2.163 1.00 0.00 C ATOM 744 C LEU A 48 -11.951 0.980 -2.698 1.00 0.00 C ATOM 745 O LEU A 48 -12.303 1.873 -1.952 1.00 0.00 O ATOM 746 CB LEU A 48 -10.147 0.141 -1.182 1.00 0.00 C ATOM 747 CG LEU A 48 -9.895 -0.997 -0.191 1.00 0.00 C ATOM 748 CD1 LEU A 48 -9.418 -2.237 -0.948 1.00 0.00 C ATOM 749 CD2 LEU A 48 -8.823 -0.570 0.815 1.00 0.00 C ATOM 0 H LEU A 48 -9.681 -0.773 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.974 -0.903 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.231 0.375 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.441 1.045 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.819 -1.228 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.238 -3.048 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.181 -2.542 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.494 -2.006 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.643 -1.381 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.899 -0.338 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.163 0.313 1.356 1.00 0.00 H new ATOM 761 N TRP A 49 -12.158 1.050 -3.985 1.00 0.00 N ATOM 762 CA TRP A 49 -12.837 2.241 -4.568 1.00 0.00 C ATOM 763 C TRP A 49 -14.326 2.208 -4.216 1.00 0.00 C ATOM 764 O TRP A 49 -14.965 3.232 -4.081 1.00 0.00 O ATOM 765 CB TRP A 49 -12.675 2.226 -6.090 1.00 0.00 C ATOM 766 CG TRP A 49 -13.122 3.535 -6.654 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.387 4.011 -6.606 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.330 4.542 -7.349 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.424 5.247 -7.227 1.00 0.00 N ATOM 770 CE2 TRP A 49 -13.181 5.618 -7.702 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.971 4.627 -7.704 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -12.699 6.737 -8.383 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.482 5.752 -8.390 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.345 6.804 -8.728 1.00 0.00 C ATOM 0 H TRP A 49 -11.886 0.333 -4.658 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.388 3.147 -4.161 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.633 2.042 -6.353 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.261 1.414 -6.520 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.231 3.508 -6.156 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.266 5.815 -7.322 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.299 3.822 -7.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.367 7.545 -8.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.437 5.806 -8.658 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.964 7.666 -9.255 1.00 0.00 H new ATOM 785 N GLY A 50 -14.885 1.038 -4.069 1.00 0.00 N ATOM 786 CA GLY A 50 -16.333 0.942 -3.729 1.00 0.00 C ATOM 787 C GLY A 50 -16.493 0.638 -2.239 1.00 0.00 C ATOM 788 O GLY A 50 -17.470 0.050 -1.818 1.00 0.00 O ATOM 0 H GLY A 50 -14.402 0.145 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.837 1.876 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.805 0.159 -4.323 1.00 0.00 H new ATOM 792 N THR A 51 -15.545 1.034 -1.436 1.00 0.00 N ATOM 793 CA THR A 51 -15.649 0.767 0.027 1.00 0.00 C ATOM 794 C THR A 51 -15.259 2.025 0.803 1.00 0.00 C ATOM 795 O THR A 51 -15.852 2.353 1.811 1.00 0.00 O ATOM 796 CB THR A 51 -14.707 -0.379 0.406 1.00 0.00 C ATOM 797 OG1 THR A 51 -13.456 -0.195 -0.243 1.00 0.00 O ATOM 798 CG2 THR A 51 -15.319 -1.711 -0.028 1.00 0.00 C ATOM 0 H THR A 51 -14.703 1.530 -1.728 1.00 0.00 H new ATOM 0 HA THR A 51 -16.674 0.491 0.274 1.00 0.00 H new ATOM 0 HB THR A 51 -14.559 -0.386 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.730 -0.338 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.647 -2.525 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.278 -1.851 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 51 -15.469 -1.708 -1.108 1.00 0.00 H new ATOM 806 N ARG A 52 -14.264 2.730 0.342 1.00 0.00 N ATOM 807 CA ARG A 52 -13.833 3.967 1.054 1.00 0.00 C ATOM 808 C ARG A 52 -13.453 5.035 0.027 1.00 0.00 C ATOM 809 O ARG A 52 -12.295 5.352 -0.152 1.00 0.00 O ATOM 810 CB ARG A 52 -12.620 3.661 1.942 1.00 0.00 C ATOM 811 CG ARG A 52 -12.594 2.172 2.301 1.00 0.00 C ATOM 812 CD ARG A 52 -11.278 1.841 3.008 1.00 0.00 C ATOM 813 NE ARG A 52 -11.556 1.001 4.207 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.621 1.551 5.388 1.00 0.00 C ATOM 815 NH1 ARG A 52 -12.561 2.417 5.655 1.00 0.00 N ATOM 816 NH2 ARG A 52 -10.747 1.235 6.305 1.00 0.00 N ATOM 0 H ARG A 52 -13.730 2.504 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.652 4.328 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.701 3.934 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.664 4.262 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.438 1.928 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.697 1.568 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.610 1.313 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.771 2.759 3.304 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.695 -0.004 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.245 2.664 4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.611 2.847 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.013 0.558 6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.798 1.665 7.228 1.00 0.00 H new ATOM 830 N ARG A 53 -14.420 5.588 -0.651 1.00 0.00 N ATOM 831 CA ARG A 53 -14.116 6.632 -1.669 1.00 0.00 C ATOM 832 C ARG A 53 -13.262 7.736 -1.040 1.00 0.00 C ATOM 833 O ARG A 53 -12.185 8.046 -1.512 1.00 0.00 O ATOM 834 CB ARG A 53 -15.427 7.230 -2.182 1.00 0.00 C ATOM 835 CG ARG A 53 -15.142 8.155 -3.367 1.00 0.00 C ATOM 836 CD ARG A 53 -16.464 8.617 -3.978 1.00 0.00 C ATOM 837 NE ARG A 53 -16.628 10.082 -3.758 1.00 0.00 N ATOM 838 CZ ARG A 53 -17.512 10.519 -2.903 1.00 0.00 C ATOM 839 NH1 ARG A 53 -17.297 10.396 -1.621 1.00 0.00 N ATOM 840 NH2 ARG A 53 -18.611 11.079 -3.328 1.00 0.00 N ATOM 0 H ARG A 53 -15.409 5.362 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.567 6.183 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.107 6.434 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.921 7.786 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.560 9.016 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.545 7.633 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.481 8.394 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.295 8.075 -3.526 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.049 10.743 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.438 9.958 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.988 10.738 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.780 11.176 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.301 11.420 -2.659 1.00 0.00 H new ATOM 854 N ASP A 54 -13.733 8.335 0.019 1.00 0.00 N ATOM 855 CA ASP A 54 -12.948 9.420 0.674 1.00 0.00 C ATOM 856 C ASP A 54 -11.562 8.895 1.051 1.00 0.00 C ATOM 857 O ASP A 54 -10.574 9.593 0.940 1.00 0.00 O ATOM 858 CB ASP A 54 -13.676 9.888 1.936 1.00 0.00 C ATOM 859 CG ASP A 54 -13.043 11.188 2.436 1.00 0.00 C ATOM 860 OD1 ASP A 54 -12.276 11.775 1.691 1.00 0.00 O ATOM 861 OD2 ASP A 54 -13.335 11.573 3.556 1.00 0.00 O ATOM 0 H ASP A 54 -14.628 8.120 0.459 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.843 10.257 -0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.733 10.044 1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.617 9.121 2.709 1.00 0.00 H new ATOM 866 N GLU A 55 -11.478 7.673 1.499 1.00 0.00 N ATOM 867 CA GLU A 55 -10.153 7.112 1.883 1.00 0.00 C ATOM 868 C GLU A 55 -9.197 7.204 0.692 1.00 0.00 C ATOM 869 O GLU A 55 -8.075 7.652 0.819 1.00 0.00 O ATOM 870 CB GLU A 55 -10.317 5.648 2.295 1.00 0.00 C ATOM 871 CG GLU A 55 -9.304 5.312 3.393 1.00 0.00 C ATOM 872 CD GLU A 55 -8.537 4.044 3.013 1.00 0.00 C ATOM 873 OE1 GLU A 55 -8.605 3.656 1.858 1.00 0.00 O ATOM 874 OE2 GLU A 55 -7.895 3.481 3.884 1.00 0.00 O ATOM 0 H GLU A 55 -12.269 7.039 1.616 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.747 7.680 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.331 5.471 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.166 4.997 1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.610 6.142 3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.817 5.167 4.344 1.00 0.00 H new ATOM 881 N ILE A 56 -9.632 6.788 -0.466 1.00 0.00 N ATOM 882 CA ILE A 56 -8.744 6.861 -1.660 1.00 0.00 C ATOM 883 C ILE A 56 -8.398 8.325 -1.930 1.00 0.00 C ATOM 884 O ILE A 56 -7.316 8.646 -2.382 1.00 0.00 O ATOM 885 CB ILE A 56 -9.461 6.271 -2.876 1.00 0.00 C ATOM 886 CG1 ILE A 56 -10.035 4.896 -2.519 1.00 0.00 C ATOM 887 CG2 ILE A 56 -8.468 6.120 -4.029 1.00 0.00 C ATOM 888 CD1 ILE A 56 -8.902 3.965 -2.082 1.00 0.00 C ATOM 0 H ILE A 56 -10.561 6.402 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.833 6.292 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.271 6.936 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.768 4.993 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.555 4.474 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.978 5.700 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.059 7.097 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.658 5.456 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.312 2.987 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.185 3.858 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.401 4.386 -1.210 1.00 0.00 H new ATOM 900 N LEU A 57 -9.309 9.215 -1.651 1.00 0.00 N ATOM 901 CA LEU A 57 -9.037 10.662 -1.882 1.00 0.00 C ATOM 902 C LEU A 57 -8.073 11.168 -0.808 1.00 0.00 C ATOM 903 O LEU A 57 -7.403 12.167 -0.982 1.00 0.00 O ATOM 904 CB LEU A 57 -10.349 11.446 -1.805 1.00 0.00 C ATOM 905 CG LEU A 57 -10.403 12.465 -2.942 1.00 0.00 C ATOM 906 CD1 LEU A 57 -10.369 11.733 -4.285 1.00 0.00 C ATOM 907 CD2 LEU A 57 -11.696 13.277 -2.838 1.00 0.00 C ATOM 0 H LEU A 57 -10.232 9.003 -1.272 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.592 10.801 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.197 10.764 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.425 11.954 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.546 13.134 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.408 12.460 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.449 11.153 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.226 11.064 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.735 14.004 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.553 12.607 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.722 13.799 -1.881 1.00 0.00 H new ATOM 919 N GLY A 58 -7.996 10.483 0.300 1.00 0.00 N ATOM 920 CA GLY A 58 -7.071 10.919 1.383 1.00 0.00 C ATOM 921 C GLY A 58 -5.638 10.551 1.001 1.00 0.00 C ATOM 922 O GLY A 58 -4.759 11.389 0.969 1.00 0.00 O ATOM 0 H GLY A 58 -8.534 9.640 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.154 11.995 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.343 10.441 2.324 1.00 0.00 H new ATOM 926 N ALA A 59 -5.395 9.303 0.706 1.00 0.00 N ATOM 927 CA ALA A 59 -4.019 8.883 0.319 1.00 0.00 C ATOM 928 C ALA A 59 -3.579 9.677 -0.910 1.00 0.00 C ATOM 929 O ALA A 59 -2.476 10.186 -0.970 1.00 0.00 O ATOM 930 CB ALA A 59 -4.014 7.389 -0.010 1.00 0.00 C ATOM 0 H ALA A 59 -6.090 8.556 0.716 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.332 9.073 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.007 7.082 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.333 6.823 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.698 7.196 -0.837 1.00 0.00 H new ATOM 936 N VAL A 60 -4.433 9.795 -1.889 1.00 0.00 N ATOM 937 CA VAL A 60 -4.062 10.563 -3.109 1.00 0.00 C ATOM 938 C VAL A 60 -3.703 11.993 -2.708 1.00 0.00 C ATOM 939 O VAL A 60 -2.728 12.552 -3.168 1.00 0.00 O ATOM 940 CB VAL A 60 -5.246 10.584 -4.077 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.928 11.507 -5.254 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.504 9.169 -4.596 1.00 0.00 C ATOM 0 H VAL A 60 -5.370 9.393 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.208 10.093 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.132 10.950 -3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.772 11.521 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.743 12.516 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.042 11.142 -5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.348 9.183 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.617 8.804 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.731 8.510 -3.758 1.00 0.00 H new ATOM 952 N ASP A 61 -4.486 12.589 -1.850 1.00 0.00 N ATOM 953 CA ASP A 61 -4.192 13.982 -1.415 1.00 0.00 C ATOM 954 C ASP A 61 -2.793 14.036 -0.796 1.00 0.00 C ATOM 955 O ASP A 61 -2.040 14.964 -1.017 1.00 0.00 O ATOM 956 CB ASP A 61 -5.226 14.419 -0.376 1.00 0.00 C ATOM 957 CG ASP A 61 -6.542 14.760 -1.078 1.00 0.00 C ATOM 958 OD1 ASP A 61 -6.491 15.138 -2.237 1.00 0.00 O ATOM 959 OD2 ASP A 61 -7.577 14.636 -0.445 1.00 0.00 O ATOM 0 H ASP A 61 -5.317 12.170 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.236 14.650 -2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.385 13.623 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.860 15.286 0.175 1.00 0.00 H new ATOM 964 N LEU A 62 -2.439 13.046 -0.023 1.00 0.00 N ATOM 965 CA LEU A 62 -1.090 13.039 0.609 1.00 0.00 C ATOM 966 C LEU A 62 -0.025 12.835 -0.471 1.00 0.00 C ATOM 967 O LEU A 62 1.099 13.276 -0.339 1.00 0.00 O ATOM 968 CB LEU A 62 -1.010 11.899 1.627 1.00 0.00 C ATOM 969 CG LEU A 62 -1.157 12.465 3.039 1.00 0.00 C ATOM 970 CD1 LEU A 62 -1.168 11.316 4.050 1.00 0.00 C ATOM 971 CD2 LEU A 62 0.021 13.395 3.340 1.00 0.00 C ATOM 0 H LEU A 62 -3.026 12.242 0.198 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.919 13.989 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.795 11.168 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.058 11.377 1.530 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.090 13.023 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.273 11.719 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.005 10.651 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.234 10.759 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.083 13.799 4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.954 12.836 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.032 14.213 2.620 1.00 0.00 H new ATOM 983 N ALA A 63 -0.369 12.170 -1.539 1.00 0.00 N ATOM 984 CA ALA A 63 0.623 11.938 -2.627 1.00 0.00 C ATOM 985 C ALA A 63 0.791 13.221 -3.444 1.00 0.00 C ATOM 986 O ALA A 63 1.833 13.471 -4.018 1.00 0.00 O ATOM 987 CB ALA A 63 0.129 10.813 -3.538 1.00 0.00 C ATOM 0 H ALA A 63 -1.295 11.777 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 63 1.581 11.656 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.855 10.644 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.009 9.899 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.830 11.093 -3.975 1.00 0.00 H new ATOM 993 N ARG A 64 -0.225 14.037 -3.502 1.00 0.00 N ATOM 994 CA ARG A 64 -0.121 15.302 -4.282 1.00 0.00 C ATOM 995 C ARG A 64 0.712 16.319 -3.500 1.00 0.00 C ATOM 996 O ARG A 64 0.930 17.428 -3.944 1.00 0.00 O ATOM 997 CB ARG A 64 -1.522 15.870 -4.523 1.00 0.00 C ATOM 998 CG ARG A 64 -2.372 14.838 -5.265 1.00 0.00 C ATOM 999 CD ARG A 64 -3.517 15.547 -5.991 1.00 0.00 C ATOM 1000 NE ARG A 64 -2.964 16.622 -6.862 1.00 0.00 N ATOM 1001 CZ ARG A 64 -2.722 16.381 -8.121 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -3.709 16.147 -8.942 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -1.492 16.374 -8.559 1.00 0.00 N ATOM 0 H ARG A 64 -1.123 13.882 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 64 0.359 15.098 -5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.990 16.126 -3.573 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.458 16.789 -5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.757 14.291 -5.980 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.771 14.106 -4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.079 14.832 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.212 15.972 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.775 17.546 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.670 16.153 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.520 15.959 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.721 16.557 -7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.302 16.186 -9.543 1.00 0.00 H new ATOM 1017 N LYS A 65 1.182 15.952 -2.338 1.00 0.00 N ATOM 1018 CA LYS A 65 2.001 16.902 -1.533 1.00 0.00 C ATOM 1019 C LYS A 65 3.457 16.842 -2.002 1.00 0.00 C ATOM 1020 O LYS A 65 4.182 17.815 -1.932 1.00 0.00 O ATOM 1021 CB LYS A 65 1.925 16.516 -0.055 1.00 0.00 C ATOM 1022 CG LYS A 65 2.561 17.619 0.794 1.00 0.00 C ATOM 1023 CD LYS A 65 1.462 18.458 1.448 1.00 0.00 C ATOM 1024 CE LYS A 65 2.053 19.781 1.938 1.00 0.00 C ATOM 1025 NZ LYS A 65 1.869 19.892 3.414 1.00 0.00 N ATOM 0 H LYS A 65 1.034 15.037 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 65 1.618 17.914 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.886 16.368 0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.441 15.571 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.202 17.180 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.194 18.251 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.661 18.648 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.022 17.913 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.113 19.833 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.566 20.617 1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.271 20.791 3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.854 19.861 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.353 19.101 3.885 1.00 0.00 H new ATOM 1039 N SER A 66 3.890 15.709 -2.483 1.00 0.00 N ATOM 1040 CA SER A 66 5.299 15.589 -2.956 1.00 0.00 C ATOM 1041 C SER A 66 5.329 14.827 -4.283 1.00 0.00 C ATOM 1042 O SER A 66 6.343 14.286 -4.675 1.00 0.00 O ATOM 1043 CB SER A 66 6.126 14.836 -1.913 1.00 0.00 C ATOM 1044 OG SER A 66 5.285 13.928 -1.213 1.00 0.00 O ATOM 0 H SER A 66 3.330 14.861 -2.569 1.00 0.00 H new ATOM 0 HA SER A 66 5.720 16.584 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.940 14.296 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.581 15.540 -1.216 1.00 0.00 H new ATOM 0 HG SER A 66 5.812 13.442 -0.545 1.00 0.00 H new ATOM 1050 N SER A 67 4.225 14.780 -4.977 1.00 0.00 N ATOM 1051 CA SER A 67 4.191 14.053 -6.278 1.00 0.00 C ATOM 1052 C SER A 67 4.781 12.653 -6.102 1.00 0.00 C ATOM 1053 O SER A 67 5.240 12.040 -7.045 1.00 0.00 O ATOM 1054 CB SER A 67 5.010 14.823 -7.314 1.00 0.00 C ATOM 1055 OG SER A 67 4.354 14.757 -8.574 1.00 0.00 O ATOM 0 H SER A 67 3.345 15.214 -4.699 1.00 0.00 H new ATOM 0 HA SER A 67 3.158 13.970 -6.617 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.125 15.862 -7.005 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.012 14.400 -7.390 1.00 0.00 H new ATOM 0 HG SER A 67 4.876 15.251 -9.241 1.00 0.00 H new ATOM 1061 N LYS A 68 4.775 12.141 -4.902 1.00 0.00 N ATOM 1062 CA LYS A 68 5.335 10.781 -4.672 1.00 0.00 C ATOM 1063 C LYS A 68 4.786 9.819 -5.730 1.00 0.00 C ATOM 1064 O LYS A 68 3.811 10.117 -6.391 1.00 0.00 O ATOM 1065 CB LYS A 68 4.936 10.293 -3.278 1.00 0.00 C ATOM 1066 CG LYS A 68 6.081 10.560 -2.299 1.00 0.00 C ATOM 1067 CD LYS A 68 5.565 10.448 -0.863 1.00 0.00 C ATOM 1068 CE LYS A 68 5.351 8.975 -0.508 1.00 0.00 C ATOM 1069 NZ LYS A 68 4.359 8.871 0.599 1.00 0.00 N ATOM 0 H LYS A 68 4.407 12.606 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 68 6.422 10.818 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.033 10.805 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.707 9.228 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.887 9.845 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.496 11.553 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.279 10.899 -0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.629 10.997 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.997 8.427 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.296 8.521 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.213 7.870 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.715 9.381 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.456 9.290 0.297 1.00 0.00 H new ATOM 1083 N PRO A 69 5.435 8.690 -5.859 1.00 0.00 N ATOM 1084 CA PRO A 69 5.043 7.655 -6.831 1.00 0.00 C ATOM 1085 C PRO A 69 3.831 6.869 -6.322 1.00 0.00 C ATOM 1086 O PRO A 69 3.906 6.163 -5.335 1.00 0.00 O ATOM 1087 CB PRO A 69 6.281 6.757 -6.920 1.00 0.00 C ATOM 1088 CG PRO A 69 7.077 6.983 -5.612 1.00 0.00 C ATOM 1089 CD PRO A 69 6.619 8.339 -5.046 1.00 0.00 C ATOM 0 HA PRO A 69 4.750 8.065 -7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.995 5.710 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.884 7.012 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.886 6.181 -4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.149 6.987 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.368 8.265 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.401 9.093 -5.136 1.00 0.00 H new ATOM 1097 N ILE A 70 2.714 6.988 -6.987 1.00 0.00 N ATOM 1098 CA ILE A 70 1.498 6.250 -6.542 1.00 0.00 C ATOM 1099 C ILE A 70 1.128 5.201 -7.593 1.00 0.00 C ATOM 1100 O ILE A 70 0.654 5.524 -8.663 1.00 0.00 O ATOM 1101 CB ILE A 70 0.328 7.226 -6.371 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.820 8.538 -5.748 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.725 6.600 -5.455 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.028 9.706 -6.339 1.00 0.00 C ATOM 0 H ILE A 70 2.591 7.565 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 70 1.704 5.763 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.105 7.434 -7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.695 8.509 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.884 8.670 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.558 7.292 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.087 5.672 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.282 6.389 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.375 10.641 -5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.176 9.737 -7.418 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.032 9.574 -6.122 1.00 0.00 H new ATOM 1116 N ILE A 71 1.337 3.947 -7.298 1.00 0.00 N ATOM 1117 CA ILE A 71 0.992 2.882 -8.283 1.00 0.00 C ATOM 1118 C ILE A 71 -0.394 2.318 -7.959 1.00 0.00 C ATOM 1119 O ILE A 71 -0.649 1.874 -6.858 1.00 0.00 O ATOM 1120 CB ILE A 71 2.028 1.759 -8.206 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.435 2.356 -8.312 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.804 0.778 -9.358 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.469 1.229 -8.319 1.00 0.00 C ATOM 0 H ILE A 71 1.731 3.614 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 71 0.988 3.305 -9.288 1.00 0.00 H new ATOM 0 HB ILE A 71 1.925 1.234 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.522 2.949 -9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.620 3.028 -7.474 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.542 -0.022 -9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.803 0.354 -9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.907 1.303 -10.308 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.470 1.654 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.387 0.655 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.288 0.574 -9.171 1.00 0.00 H new ATOM 1135 N THR A 72 -1.290 2.331 -8.905 1.00 0.00 N ATOM 1136 CA THR A 72 -2.654 1.792 -8.639 1.00 0.00 C ATOM 1137 C THR A 72 -2.685 0.299 -8.971 1.00 0.00 C ATOM 1138 O THR A 72 -1.893 -0.188 -9.753 1.00 0.00 O ATOM 1139 CB THR A 72 -3.676 2.531 -9.508 1.00 0.00 C ATOM 1140 OG1 THR A 72 -3.803 3.870 -9.049 1.00 0.00 O ATOM 1141 CG2 THR A 72 -5.031 1.828 -9.415 1.00 0.00 C ATOM 0 H THR A 72 -1.139 2.690 -9.848 1.00 0.00 H new ATOM 0 HA THR A 72 -2.902 1.936 -7.588 1.00 0.00 H new ATOM 0 HB THR A 72 -3.340 2.531 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.391 3.893 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.757 2.355 -10.034 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.933 0.801 -9.766 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.370 1.827 -8.379 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.590 -0.433 -8.382 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.663 -1.895 -8.666 1.00 0.00 C ATOM 1151 C VAL A 73 -5.067 -2.253 -9.158 1.00 0.00 C ATOM 1152 O VAL A 73 -6.050 -2.030 -8.479 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.352 -2.679 -7.390 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.013 -4.126 -7.750 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -2.157 -2.039 -6.680 1.00 0.00 C ATOM 0 H VAL A 73 -4.281 -0.084 -7.718 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.935 -2.151 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.221 -2.662 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.791 -4.685 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.862 -4.583 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.144 -4.143 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.933 -2.596 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.289 -2.058 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.396 -1.007 -6.424 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.167 -2.811 -10.333 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.505 -3.189 -10.871 1.00 0.00 C ATOM 1167 C ARG A 74 -7.260 -4.009 -9.822 1.00 0.00 C ATOM 1168 O ARG A 74 -6.655 -4.702 -9.028 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.327 -4.029 -12.140 1.00 0.00 C ATOM 1170 CG ARG A 74 -5.476 -3.261 -13.153 1.00 0.00 C ATOM 1171 CD ARG A 74 -5.262 -4.121 -14.399 1.00 0.00 C ATOM 1172 NE ARG A 74 -3.900 -3.870 -14.949 1.00 0.00 N ATOM 1173 CZ ARG A 74 -3.235 -4.839 -15.518 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -3.852 -5.684 -16.297 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -1.953 -4.960 -15.307 1.00 0.00 N ATOM 0 H ARG A 74 -4.379 -3.022 -10.945 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.070 -2.287 -11.108 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.850 -4.978 -11.895 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.300 -4.263 -12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.969 -2.327 -13.423 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.515 -2.998 -12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.376 -5.176 -14.150 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.017 -3.887 -15.149 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.487 -2.940 -14.881 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.854 -5.588 -16.462 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.332 -6.441 -16.741 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.472 -4.298 -14.698 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.432 -5.716 -15.751 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.563 -3.906 -9.853 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.437 -4.633 -8.916 1.00 0.00 C ATOM 1191 C PRO A 75 -9.564 -6.098 -9.342 1.00 0.00 C ATOM 1192 O PRO A 75 -9.018 -6.512 -10.345 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.779 -3.907 -9.041 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.765 -3.198 -10.416 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.286 -3.059 -10.824 1.00 0.00 C ATOM 0 HA PRO A 75 -9.061 -4.644 -7.893 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.609 -4.611 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.907 -3.186 -8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.318 -3.776 -11.156 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.243 -2.220 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.121 -3.396 -11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.954 -2.022 -10.773 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.279 -6.886 -8.588 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.436 -8.321 -8.953 1.00 0.00 C ATOM 1205 C TYR A 76 -10.793 -8.433 -10.437 1.00 0.00 C ATOM 1206 O TYR A 76 -10.527 -9.432 -11.077 1.00 0.00 O ATOM 1207 CB TYR A 76 -11.551 -8.942 -8.111 1.00 0.00 C ATOM 1208 CG TYR A 76 -11.009 -10.133 -7.359 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.917 -9.977 -6.494 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.595 -11.394 -7.526 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.412 -11.083 -5.798 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.091 -12.499 -6.830 1.00 0.00 C ATOM 1213 CZ TYR A 76 -9.999 -12.343 -5.965 1.00 0.00 C ATOM 1214 OH TYR A 76 -9.503 -13.432 -5.278 1.00 0.00 O ATOM 0 H TYR A 76 -10.761 -6.599 -7.736 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.502 -8.849 -8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.946 -8.206 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -12.378 -9.248 -8.752 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.465 -9.005 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.436 -11.514 -8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.570 -10.964 -5.133 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.543 -13.471 -6.959 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.025 -14.229 -5.507 1.00 0.00 H new ATOM 1224 N GLY A 77 -11.392 -7.414 -10.990 1.00 0.00 N ATOM 1225 CA GLY A 77 -11.766 -7.462 -12.432 1.00 0.00 C ATOM 1226 C GLY A 77 -13.192 -6.939 -12.606 1.00 0.00 C ATOM 1227 O GLY A 77 -14.143 -7.695 -12.615 1.00 0.00 O ATOM 0 H GLY A 77 -11.639 -6.551 -10.506 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.072 -6.860 -13.019 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.694 -8.484 -12.804 1.00 0.00 H new ATOM 1231 N LEU A 78 -13.349 -5.651 -12.742 1.00 0.00 N ATOM 1232 CA LEU A 78 -14.715 -5.083 -12.912 1.00 0.00 C ATOM 1233 C LEU A 78 -14.711 -4.083 -14.071 1.00 0.00 C ATOM 1234 O LEU A 78 -15.069 -4.409 -15.185 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.134 -4.371 -11.624 1.00 0.00 C ATOM 1236 CG LEU A 78 -15.233 -5.391 -10.489 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -14.590 -4.815 -9.225 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.706 -5.702 -10.214 1.00 0.00 C ATOM 0 H LEU A 78 -12.591 -4.968 -12.743 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.419 -5.886 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.409 -3.598 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.094 -3.874 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.713 -6.305 -10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.661 -5.543 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.541 -4.591 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.109 -3.901 -8.937 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.780 -6.429 -9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.224 -4.787 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.165 -6.112 -11.113 1.00 0.00 H new ATOM 1250 N GLU A 79 -14.309 -2.867 -13.818 1.00 0.00 N ATOM 1251 CA GLU A 79 -14.285 -1.851 -14.906 1.00 0.00 C ATOM 1252 C GLU A 79 -12.990 -1.048 -14.823 1.00 0.00 C ATOM 1253 O GLU A 79 -12.868 0.023 -15.384 1.00 0.00 O ATOM 1254 CB GLU A 79 -15.473 -0.907 -14.750 1.00 0.00 C ATOM 1255 CG GLU A 79 -16.520 -1.220 -15.820 1.00 0.00 C ATOM 1256 CD GLU A 79 -17.903 -0.795 -15.320 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -17.970 -0.204 -14.255 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -18.870 -1.068 -16.011 1.00 0.00 O ATOM 0 H GLU A 79 -13.997 -2.535 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.343 -2.354 -15.871 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.909 -1.016 -13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.143 0.128 -14.841 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -16.279 -0.696 -16.745 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.516 -2.286 -16.048 1.00 0.00 H new ATOM 1265 N ASN A 80 -12.024 -1.563 -14.127 1.00 0.00 N ATOM 1266 CA ASN A 80 -10.725 -0.845 -13.997 1.00 0.00 C ATOM 1267 C ASN A 80 -10.952 0.498 -13.299 1.00 0.00 C ATOM 1268 O ASN A 80 -12.053 0.828 -12.906 1.00 0.00 O ATOM 1269 CB ASN A 80 -10.136 -0.601 -15.388 1.00 0.00 C ATOM 1270 CG ASN A 80 -8.851 -1.417 -15.549 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -8.763 -2.271 -16.407 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -7.841 -1.185 -14.754 1.00 0.00 N ATOM 0 H ASN A 80 -12.074 -2.456 -13.637 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.034 -1.449 -13.409 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -10.857 -0.884 -16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.925 0.460 -15.524 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.979 -1.721 -14.854 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.914 -0.468 -14.033 1.00 0.00 H new ATOM 1279 N VAL A 81 -9.915 1.274 -13.143 1.00 0.00 N ATOM 1280 CA VAL A 81 -10.064 2.597 -12.474 1.00 0.00 C ATOM 1281 C VAL A 81 -10.482 3.647 -13.508 1.00 0.00 C ATOM 1282 O VAL A 81 -10.293 3.454 -14.693 1.00 0.00 O ATOM 1283 CB VAL A 81 -8.727 3.003 -11.847 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -8.316 1.965 -10.801 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -7.655 3.080 -12.936 1.00 0.00 C ATOM 0 H VAL A 81 -8.969 1.048 -13.451 1.00 0.00 H new ATOM 0 HA VAL A 81 -10.825 2.529 -11.697 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.832 3.977 -11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.364 2.255 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.079 1.910 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.212 0.990 -11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.703 3.369 -12.490 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.551 2.106 -13.414 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.946 3.820 -13.681 1.00 0.00 H new ATOM 1295 N PRO A 82 -11.038 4.730 -13.027 1.00 0.00 N ATOM 1296 CA PRO A 82 -11.496 5.837 -13.885 1.00 0.00 C ATOM 1297 C PRO A 82 -10.305 6.688 -14.340 1.00 0.00 C ATOM 1298 O PRO A 82 -9.190 6.469 -13.910 1.00 0.00 O ATOM 1299 CB PRO A 82 -12.429 6.638 -12.972 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.024 6.288 -11.519 1.00 0.00 C ATOM 1301 CD PRO A 82 -11.262 4.951 -11.583 1.00 0.00 C ATOM 0 HA PRO A 82 -11.990 5.499 -14.796 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.329 7.708 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.471 6.379 -13.158 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.397 7.071 -11.093 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.904 6.202 -10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.320 5.003 -11.037 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.842 4.141 -11.141 1.00 0.00 H new ATOM 1309 N PRO A 83 -10.579 7.635 -15.202 1.00 0.00 N ATOM 1310 CA PRO A 83 -9.549 8.538 -15.743 1.00 0.00 C ATOM 1311 C PRO A 83 -9.186 9.614 -14.716 1.00 0.00 C ATOM 1312 O PRO A 83 -8.057 10.060 -14.645 1.00 0.00 O ATOM 1313 CB PRO A 83 -10.222 9.157 -16.971 1.00 0.00 C ATOM 1314 CG PRO A 83 -11.746 9.020 -16.747 1.00 0.00 C ATOM 1315 CD PRO A 83 -11.940 7.892 -15.716 1.00 0.00 C ATOM 0 HA PRO A 83 -8.617 8.028 -15.987 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.938 10.203 -17.084 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.915 8.644 -17.882 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.170 9.956 -16.382 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.255 8.783 -17.681 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.617 8.194 -14.917 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.367 7.001 -16.176 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.130 10.034 -13.919 1.00 0.00 N ATOM 1324 CA GLU A 84 -9.829 11.079 -12.901 1.00 0.00 C ATOM 1325 C GLU A 84 -8.712 10.580 -11.984 1.00 0.00 C ATOM 1326 O GLU A 84 -7.881 11.340 -11.530 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.084 11.366 -12.072 1.00 0.00 C ATOM 1328 CG GLU A 84 -10.830 12.569 -11.161 1.00 0.00 C ATOM 1329 CD GLU A 84 -11.926 13.613 -11.376 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -12.989 13.240 -11.846 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -11.686 14.769 -11.069 1.00 0.00 O ATOM 0 H GLU A 84 -11.094 9.700 -13.929 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.512 11.995 -13.400 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.929 11.567 -12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.346 10.493 -11.474 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.815 12.252 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.853 13.002 -11.377 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.681 9.303 -11.715 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.611 8.756 -10.836 1.00 0.00 C ATOM 1340 C LEU A 85 -6.450 8.273 -11.703 1.00 0.00 C ATOM 1341 O LEU A 85 -5.334 8.129 -11.243 1.00 0.00 O ATOM 1342 CB LEU A 85 -8.164 7.582 -10.024 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.027 6.932 -9.233 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -7.454 6.755 -7.775 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.704 5.564 -9.840 1.00 0.00 C ATOM 0 H LEU A 85 -9.349 8.617 -12.066 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.264 9.533 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.942 7.930 -9.345 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.624 6.851 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.143 7.569 -9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.644 6.292 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.686 7.729 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.337 6.118 -7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.894 5.099 -9.278 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.588 4.928 -9.796 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.399 5.690 -10.879 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.701 8.027 -12.961 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.611 7.559 -13.861 1.00 0.00 C ATOM 1359 C GLU A 86 -4.590 8.683 -14.037 1.00 0.00 C ATOM 1360 O GLU A 86 -3.403 8.446 -14.140 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.196 7.183 -15.224 1.00 0.00 C ATOM 1362 CG GLU A 86 -5.084 6.642 -16.125 1.00 0.00 C ATOM 1363 CD GLU A 86 -4.731 7.686 -17.185 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -5.616 8.061 -17.936 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -3.582 8.094 -17.227 1.00 0.00 O ATOM 0 H GLU A 86 -7.614 8.130 -13.403 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.126 6.686 -13.425 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.977 6.433 -15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.661 8.055 -15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.204 6.402 -15.529 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.407 5.718 -16.604 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.041 9.907 -14.068 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.093 11.045 -14.231 1.00 0.00 C ATOM 1374 C ALA A 87 -3.245 11.179 -12.966 1.00 0.00 C ATOM 1375 O ALA A 87 -2.262 11.893 -12.937 1.00 0.00 O ATOM 1376 CB ALA A 87 -4.880 12.338 -14.458 1.00 0.00 C ATOM 0 H ALA A 87 -6.024 10.168 -13.988 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.445 10.862 -15.088 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.186 13.170 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.488 12.241 -15.358 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.527 12.525 -13.601 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.618 10.496 -11.917 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.836 10.581 -10.652 1.00 0.00 C ATOM 1384 C VAL A 88 -2.145 9.240 -10.390 1.00 0.00 C ATOM 1385 O VAL A 88 -1.564 9.024 -9.345 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.779 10.904 -9.492 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.984 11.537 -8.349 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.853 11.885 -9.968 1.00 0.00 C ATOM 0 H VAL A 88 -4.432 9.882 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.085 11.366 -10.739 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.252 9.986 -9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.656 11.767 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.217 10.841 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.512 12.455 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.526 12.116 -9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.379 12.802 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.420 11.436 -10.784 1.00 0.00 H new ATOM 1398 N SER A 89 -2.203 8.337 -11.331 1.00 0.00 N ATOM 1399 CA SER A 89 -1.550 7.013 -11.137 1.00 0.00 C ATOM 1400 C SER A 89 -0.271 6.949 -11.974 1.00 0.00 C ATOM 1401 O SER A 89 -0.313 6.848 -13.184 1.00 0.00 O ATOM 1402 CB SER A 89 -2.504 5.903 -11.581 1.00 0.00 C ATOM 1403 OG SER A 89 -1.837 4.649 -11.506 1.00 0.00 O ATOM 0 H SER A 89 -2.675 8.460 -12.227 1.00 0.00 H new ATOM 0 HA SER A 89 -1.304 6.881 -10.083 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.390 5.895 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.844 6.086 -12.600 1.00 0.00 H new ATOM 0 HG SER A 89 -2.386 3.960 -11.936 1.00 0.00 H new ATOM 1409 N SER A 90 0.868 7.008 -11.339 1.00 0.00 N ATOM 1410 CA SER A 90 2.147 6.952 -12.099 1.00 0.00 C ATOM 1411 C SER A 90 2.168 5.694 -12.970 1.00 0.00 C ATOM 1412 O SER A 90 2.547 5.733 -14.124 1.00 0.00 O ATOM 1413 CB SER A 90 3.323 6.913 -11.121 1.00 0.00 C ATOM 1414 OG SER A 90 4.305 7.856 -11.530 1.00 0.00 O ATOM 0 H SER A 90 0.967 7.093 -10.327 1.00 0.00 H new ATOM 0 HA SER A 90 2.231 7.835 -12.732 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.980 7.142 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.753 5.912 -11.091 1.00 0.00 H new ATOM 0 HG SER A 90 5.059 7.835 -10.905 1.00 0.00 H new ATOM 1420 N GLU A 91 1.763 4.579 -12.427 1.00 0.00 N ATOM 1421 CA GLU A 91 1.760 3.320 -13.224 1.00 0.00 C ATOM 1422 C GLU A 91 0.593 2.437 -12.780 1.00 0.00 C ATOM 1423 O GLU A 91 0.121 2.528 -11.663 1.00 0.00 O ATOM 1424 CB GLU A 91 3.078 2.573 -13.005 1.00 0.00 C ATOM 1425 CG GLU A 91 4.212 3.319 -13.710 1.00 0.00 C ATOM 1426 CD GLU A 91 4.003 3.250 -15.224 1.00 0.00 C ATOM 1427 OE1 GLU A 91 3.206 4.023 -15.728 1.00 0.00 O ATOM 1428 OE2 GLU A 91 4.643 2.424 -15.854 1.00 0.00 O ATOM 0 H GLU A 91 1.434 4.485 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 91 1.651 3.561 -14.281 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.289 2.492 -11.939 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.001 1.557 -13.392 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.237 4.358 -13.382 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.173 2.878 -13.444 1.00 0.00 H new ATOM 1435 N VAL A 92 0.122 1.582 -13.646 1.00 0.00 N ATOM 1436 CA VAL A 92 -1.013 0.694 -13.274 1.00 0.00 C ATOM 1437 C VAL A 92 -0.558 -0.768 -13.338 1.00 0.00 C ATOM 1438 O VAL A 92 -0.160 -1.260 -14.375 1.00 0.00 O ATOM 1439 CB VAL A 92 -2.179 0.925 -14.243 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -1.905 0.216 -15.573 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -3.469 0.373 -13.630 1.00 0.00 C ATOM 0 H VAL A 92 0.475 1.461 -14.595 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.342 0.921 -12.260 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.285 1.995 -14.423 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.739 0.386 -16.254 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.990 0.611 -16.014 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.791 -0.854 -15.398 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.298 0.537 -14.318 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.356 -0.695 -13.446 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.672 0.884 -12.689 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.612 -1.464 -12.235 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.181 -2.891 -12.229 1.00 0.00 C ATOM 1453 C VAL A 93 -1.408 -3.792 -12.076 1.00 0.00 C ATOM 1454 O VAL A 93 -2.470 -3.349 -11.689 1.00 0.00 O ATOM 1455 CB VAL A 93 0.774 -3.128 -11.057 1.00 0.00 C ATOM 1456 CG1 VAL A 93 -0.009 -3.084 -9.745 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.439 -4.497 -11.208 1.00 0.00 C ATOM 0 H VAL A 93 -0.936 -1.106 -11.337 1.00 0.00 H new ATOM 0 HA VAL A 93 0.326 -3.123 -13.165 1.00 0.00 H new ATOM 0 HB VAL A 93 1.539 -2.352 -11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.671 -3.253 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.482 -2.108 -9.636 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.775 -3.860 -9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.119 -4.665 -10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.675 -5.274 -11.216 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.998 -4.529 -12.143 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.273 -5.056 -12.375 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.435 -5.981 -12.243 1.00 0.00 C ATOM 1469 C GLY A 94 -2.046 -7.163 -11.353 1.00 0.00 C ATOM 1470 O GLY A 94 -1.125 -7.082 -10.565 1.00 0.00 O ATOM 0 H GLY A 94 -0.409 -5.487 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.287 -5.453 -11.814 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.743 -6.338 -13.226 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.741 -8.262 -11.472 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.408 -9.447 -10.632 1.00 0.00 C ATOM 1476 C TRP A 95 -1.360 -10.298 -11.353 1.00 0.00 C ATOM 1477 O TRP A 95 -1.407 -11.513 -11.327 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.669 -10.282 -10.398 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.717 -9.435 -9.751 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.340 -8.388 -10.340 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.275 -9.541 -8.409 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.245 -7.845 -9.445 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.241 -8.521 -8.241 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -5.038 -10.415 -7.330 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.949 -8.373 -7.046 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.748 -10.270 -6.126 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -6.702 -9.250 -5.985 1.00 0.00 C ATOM 0 H TRP A 95 -3.524 -8.390 -12.114 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.013 -9.113 -9.672 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.038 -10.675 -11.345 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.438 -11.139 -9.766 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.160 -8.034 -11.344 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -6.842 -7.044 -9.650 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.305 -11.202 -7.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.682 -7.587 -6.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.559 -10.946 -5.306 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -7.245 -9.143 -5.058 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.416 -9.670 -12.001 1.00 0.00 N ATOM 1499 CA ASN A 96 0.631 -10.442 -12.724 1.00 0.00 C ATOM 1500 C ASN A 96 1.926 -10.433 -11.910 1.00 0.00 C ATOM 1501 O ASN A 96 2.186 -9.504 -11.171 1.00 0.00 O ATOM 1502 CB ASN A 96 0.884 -9.801 -14.091 1.00 0.00 C ATOM 1503 CG ASN A 96 0.048 -10.516 -15.153 1.00 0.00 C ATOM 1504 OD1 ASN A 96 0.515 -10.756 -16.250 1.00 0.00 O ATOM 1505 ND2 ASN A 96 -1.177 -10.867 -14.875 1.00 0.00 N ATOM 0 H ASN A 96 -0.326 -8.656 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 96 0.295 -11.470 -12.860 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.625 -8.743 -14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.943 -9.864 -14.343 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -1.743 -11.343 -15.578 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.569 -10.666 -13.955 1.00 0.00 H new ATOM 1512 N PRO A 97 2.702 -11.475 -12.070 1.00 0.00 N ATOM 1513 CA PRO A 97 3.984 -11.628 -11.361 1.00 0.00 C ATOM 1514 C PRO A 97 5.067 -10.774 -12.029 1.00 0.00 C ATOM 1515 O PRO A 97 5.807 -10.068 -11.373 1.00 0.00 O ATOM 1516 CB PRO A 97 4.298 -13.120 -11.506 1.00 0.00 C ATOM 1517 CG PRO A 97 3.505 -13.614 -12.740 1.00 0.00 C ATOM 1518 CD PRO A 97 2.372 -12.597 -12.972 1.00 0.00 C ATOM 0 HA PRO A 97 3.941 -11.306 -10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.368 -13.281 -11.642 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.004 -13.668 -10.611 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.152 -13.680 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.101 -14.611 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.334 -12.274 -14.012 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.398 -13.025 -12.735 1.00 0.00 H new ATOM 1526 N HIS A 98 5.165 -10.833 -13.329 1.00 0.00 N ATOM 1527 CA HIS A 98 6.198 -10.026 -14.038 1.00 0.00 C ATOM 1528 C HIS A 98 5.801 -8.547 -14.008 1.00 0.00 C ATOM 1529 O HIS A 98 6.641 -7.669 -14.045 1.00 0.00 O ATOM 1530 CB HIS A 98 6.304 -10.496 -15.490 1.00 0.00 C ATOM 1531 CG HIS A 98 7.739 -10.439 -15.934 1.00 0.00 C ATOM 1532 ND1 HIS A 98 8.095 -10.197 -17.250 1.00 0.00 N ATOM 1533 CD2 HIS A 98 8.918 -10.592 -15.247 1.00 0.00 C ATOM 1534 CE1 HIS A 98 9.439 -10.210 -17.315 1.00 0.00 C ATOM 1535 NE2 HIS A 98 9.991 -10.447 -16.122 1.00 0.00 N ATOM 0 H HIS A 98 4.574 -11.406 -13.931 1.00 0.00 H new ATOM 0 HA HIS A 98 7.161 -10.153 -13.543 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.924 -11.514 -15.582 1.00 0.00 H new ATOM 0 HB3 HIS A 98 5.688 -9.867 -16.133 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.000 -10.794 -14.189 1.00 0.00 H new ATOM 0 HE1 HIS A 98 10.003 -10.048 -18.222 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.985 -10.508 -15.900 1.00 0.00 H new ATOM 1543 N CYS A 99 4.529 -8.266 -13.943 1.00 0.00 N ATOM 1544 CA CYS A 99 4.082 -6.845 -13.913 1.00 0.00 C ATOM 1545 C CYS A 99 4.561 -6.185 -12.618 1.00 0.00 C ATOM 1546 O CYS A 99 5.210 -5.158 -12.635 1.00 0.00 O ATOM 1547 CB CYS A 99 2.553 -6.790 -13.978 1.00 0.00 C ATOM 1548 SG CYS A 99 2.004 -7.259 -15.637 1.00 0.00 S ATOM 0 H CYS A 99 3.780 -8.958 -13.909 1.00 0.00 H new ATOM 0 HA CYS A 99 4.502 -6.314 -14.767 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.122 -7.463 -13.237 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.204 -5.786 -13.738 1.00 0.00 H new ATOM 0 HG CYS A 99 0.710 -7.380 -15.648 1.00 0.00 H new ATOM 1554 N ILE A 100 4.245 -6.766 -11.493 1.00 0.00 N ATOM 1555 CA ILE A 100 4.684 -6.173 -10.199 1.00 0.00 C ATOM 1556 C ILE A 100 6.167 -5.813 -10.281 1.00 0.00 C ATOM 1557 O ILE A 100 6.648 -4.952 -9.570 1.00 0.00 O ATOM 1558 CB ILE A 100 4.471 -7.187 -9.074 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.982 -7.525 -8.970 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.954 -6.591 -7.751 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.214 -6.301 -8.467 1.00 0.00 C ATOM 0 H ILE A 100 3.702 -7.626 -11.414 1.00 0.00 H new ATOM 0 HA ILE A 100 4.101 -5.275 -9.996 1.00 0.00 H new ATOM 0 HB ILE A 100 5.036 -8.094 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.599 -7.833 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.835 -8.364 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.802 -7.314 -6.949 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.014 -6.350 -7.826 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.390 -5.684 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.154 -6.542 -8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.590 -6.014 -7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.350 -5.474 -9.164 1.00 0.00 H new ATOM 1573 N ARG A 101 6.896 -6.466 -11.142 1.00 0.00 N ATOM 1574 CA ARG A 101 8.349 -6.165 -11.270 1.00 0.00 C ATOM 1575 C ARG A 101 8.535 -4.825 -11.986 1.00 0.00 C ATOM 1576 O ARG A 101 9.221 -3.945 -11.506 1.00 0.00 O ATOM 1577 CB ARG A 101 9.027 -7.274 -12.076 1.00 0.00 C ATOM 1578 CG ARG A 101 10.537 -7.035 -12.103 1.00 0.00 C ATOM 1579 CD ARG A 101 11.150 -7.791 -13.282 1.00 0.00 C ATOM 1580 NE ARG A 101 12.123 -8.798 -12.773 1.00 0.00 N ATOM 1581 CZ ARG A 101 13.404 -8.580 -12.883 1.00 0.00 C ATOM 1582 NH1 ARG A 101 13.951 -8.491 -14.064 1.00 0.00 N ATOM 1583 NH2 ARG A 101 14.137 -8.446 -11.812 1.00 0.00 N ATOM 0 H ARG A 101 6.548 -7.196 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 101 8.797 -6.109 -10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.810 -8.245 -11.632 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.633 -7.293 -13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.746 -5.969 -12.192 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.986 -7.371 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.367 -8.284 -13.858 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.650 -7.094 -13.955 1.00 0.00 H new ATOM 0 HE ARG A 101 11.787 -9.658 -12.339 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.377 -8.592 -14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.953 -8.320 -14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.708 -8.512 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.139 -8.276 -11.898 1.00 0.00 H new ATOM 1597 N ASP A 102 7.930 -4.664 -13.132 1.00 0.00 N ATOM 1598 CA ASP A 102 8.073 -3.382 -13.877 1.00 0.00 C ATOM 1599 C ASP A 102 7.446 -2.246 -13.065 1.00 0.00 C ATOM 1600 O ASP A 102 7.665 -1.082 -13.335 1.00 0.00 O ATOM 1601 CB ASP A 102 7.364 -3.497 -15.228 1.00 0.00 C ATOM 1602 CG ASP A 102 8.194 -2.793 -16.303 1.00 0.00 C ATOM 1603 OD1 ASP A 102 9.409 -2.823 -16.199 1.00 0.00 O ATOM 1604 OD2 ASP A 102 7.601 -2.239 -17.213 1.00 0.00 O ATOM 0 H ASP A 102 7.343 -5.365 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 102 9.130 -3.171 -14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.226 -4.546 -15.490 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.372 -3.050 -15.169 1.00 0.00 H new ATOM 1609 N ALA A 103 6.663 -2.576 -12.074 1.00 0.00 N ATOM 1610 CA ALA A 103 6.018 -1.518 -11.247 1.00 0.00 C ATOM 1611 C ALA A 103 7.049 -0.901 -10.299 1.00 0.00 C ATOM 1612 O ALA A 103 7.161 0.304 -10.188 1.00 0.00 O ATOM 1613 CB ALA A 103 4.882 -2.135 -10.428 1.00 0.00 C ATOM 0 H ALA A 103 6.442 -3.534 -11.802 1.00 0.00 H new ATOM 0 HA ALA A 103 5.620 -0.742 -11.902 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.409 -1.362 -9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.144 -2.571 -11.101 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.283 -2.912 -9.777 1.00 0.00 H new ATOM 1619 N LEU A 104 7.799 -1.717 -9.611 1.00 0.00 N ATOM 1620 CA LEU A 104 8.818 -1.176 -8.667 1.00 0.00 C ATOM 1621 C LEU A 104 10.039 -0.688 -9.451 1.00 0.00 C ATOM 1622 O LEU A 104 10.766 0.179 -9.006 1.00 0.00 O ATOM 1623 CB LEU A 104 9.243 -2.276 -7.692 1.00 0.00 C ATOM 1624 CG LEU A 104 8.225 -2.364 -6.554 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.470 -3.640 -5.747 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.377 -1.146 -5.640 1.00 0.00 C ATOM 0 H LEU A 104 7.751 -2.735 -9.661 1.00 0.00 H new ATOM 0 HA LEU A 104 8.390 -0.342 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.309 -3.232 -8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.234 -2.061 -7.293 1.00 0.00 H new ATOM 0 HG LEU A 104 7.217 -2.385 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.744 -3.703 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.363 -4.508 -6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.478 -3.620 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.652 -1.207 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.385 -1.126 -5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.203 -0.236 -6.214 1.00 0.00 H new ATOM 1638 N GLU A 105 10.271 -1.235 -10.612 1.00 0.00 N ATOM 1639 CA GLU A 105 11.447 -0.799 -11.417 1.00 0.00 C ATOM 1640 C GLU A 105 11.164 0.570 -12.040 1.00 0.00 C ATOM 1641 O GLU A 105 12.069 1.296 -12.400 1.00 0.00 O ATOM 1642 CB GLU A 105 11.712 -1.817 -12.527 1.00 0.00 C ATOM 1643 CG GLU A 105 13.170 -1.708 -12.981 1.00 0.00 C ATOM 1644 CD GLU A 105 13.298 -0.601 -14.029 1.00 0.00 C ATOM 1645 OE1 GLU A 105 12.285 -0.239 -14.606 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.405 -0.133 -14.237 1.00 0.00 O ATOM 0 H GLU A 105 9.698 -1.964 -11.038 1.00 0.00 H new ATOM 0 HA GLU A 105 12.321 -0.729 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.506 -2.825 -12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.043 -1.636 -13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.812 -1.491 -12.127 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.504 -2.658 -13.398 1.00 0.00 H new ATOM 1653 N ASP A 106 9.916 0.930 -12.174 1.00 0.00 N ATOM 1654 CA ASP A 106 9.584 2.251 -12.777 1.00 0.00 C ATOM 1655 C ASP A 106 9.820 3.359 -11.748 1.00 0.00 C ATOM 1656 O ASP A 106 10.275 4.437 -12.076 1.00 0.00 O ATOM 1657 CB ASP A 106 8.115 2.261 -13.207 1.00 0.00 C ATOM 1658 CG ASP A 106 8.030 2.207 -14.734 1.00 0.00 C ATOM 1659 OD1 ASP A 106 8.515 1.242 -15.301 1.00 0.00 O ATOM 1660 OD2 ASP A 106 7.481 3.132 -15.310 1.00 0.00 O ATOM 0 H ASP A 106 9.114 0.367 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 106 10.220 2.422 -13.646 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.592 1.409 -12.773 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.623 3.160 -12.836 1.00 0.00 H new ATOM 1665 N ALA A 107 9.512 3.104 -10.506 1.00 0.00 N ATOM 1666 CA ALA A 107 9.719 4.143 -9.457 1.00 0.00 C ATOM 1667 C ALA A 107 11.157 4.662 -9.525 1.00 0.00 C ATOM 1668 O ALA A 107 11.394 5.846 -9.660 1.00 0.00 O ATOM 1669 CB ALA A 107 9.462 3.533 -8.079 1.00 0.00 C ATOM 0 H ALA A 107 9.126 2.221 -10.172 1.00 0.00 H new ATOM 0 HA ALA A 107 9.028 4.969 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.613 4.292 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.437 3.165 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.152 2.706 -7.913 1.00 0.00 H new ATOM 1675 N LEU A 108 12.118 3.785 -9.432 1.00 0.00 N ATOM 1676 CA LEU A 108 13.539 4.232 -9.490 1.00 0.00 C ATOM 1677 C LEU A 108 13.785 5.280 -8.405 1.00 0.00 C ATOM 1678 O LEU A 108 14.478 6.256 -8.615 1.00 0.00 O ATOM 1679 CB LEU A 108 13.824 4.842 -10.864 1.00 0.00 C ATOM 1680 CG LEU A 108 14.833 3.969 -11.612 1.00 0.00 C ATOM 1681 CD1 LEU A 108 14.280 3.618 -12.995 1.00 0.00 C ATOM 1682 CD2 LEU A 108 16.148 4.733 -11.770 1.00 0.00 C ATOM 0 H LEU A 108 11.982 2.780 -9.319 1.00 0.00 H new ATOM 0 HA LEU A 108 14.198 3.379 -9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.900 4.921 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.216 5.853 -10.750 1.00 0.00 H new ATOM 0 HG LEU A 108 15.008 3.053 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.000 2.996 -13.527 1.00 0.00 H new ATOM 0 HD12 LEU A 108 13.342 3.074 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.104 4.534 -13.560 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.868 4.112 -12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.971 5.649 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.544 4.984 -10.786 1.00 0.00 H new ATOM 1694 N ASP A 109 13.220 5.090 -7.244 1.00 0.00 N ATOM 1695 CA ASP A 109 13.420 6.077 -6.147 1.00 0.00 C ATOM 1696 C ASP A 109 14.261 5.446 -5.034 1.00 0.00 C ATOM 1697 O ASP A 109 13.779 4.647 -4.258 1.00 0.00 O ATOM 1698 CB ASP A 109 12.060 6.492 -5.583 1.00 0.00 C ATOM 1699 CG ASP A 109 12.098 7.970 -5.190 1.00 0.00 C ATOM 1700 OD1 ASP A 109 13.133 8.585 -5.381 1.00 0.00 O ATOM 1701 OD2 ASP A 109 11.092 8.459 -4.704 1.00 0.00 O ATOM 0 H ASP A 109 12.628 4.293 -7.008 1.00 0.00 H new ATOM 0 HA ASP A 109 13.937 6.953 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 109 11.280 6.322 -6.325 1.00 0.00 H new ATOM 0 HB3 ASP A 109 11.813 5.881 -4.715 1.00 0.00 H new ATOM 1706 N VAL A 110 15.513 5.802 -4.951 1.00 0.00 N ATOM 1707 CA VAL A 110 16.382 5.224 -3.886 1.00 0.00 C ATOM 1708 C VAL A 110 16.131 3.718 -3.783 1.00 0.00 C ATOM 1709 O VAL A 110 15.358 3.263 -2.964 1.00 0.00 O ATOM 1710 CB VAL A 110 16.055 5.887 -2.548 1.00 0.00 C ATOM 1711 CG1 VAL A 110 17.014 5.370 -1.474 1.00 0.00 C ATOM 1712 CG2 VAL A 110 16.208 7.403 -2.682 1.00 0.00 C ATOM 0 H VAL A 110 15.972 6.467 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 110 17.428 5.401 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 110 15.030 5.648 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 110 16.781 5.843 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 110 16.906 4.289 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 110 18.039 5.609 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.975 7.878 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 110 17.233 7.642 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 110 15.525 7.771 -3.447 1.00 0.00 H new ATOM 1722 N ILE A 111 16.780 2.942 -4.606 1.00 0.00 N ATOM 1723 CA ILE A 111 16.579 1.467 -4.553 1.00 0.00 C ATOM 1724 C ILE A 111 17.634 0.843 -3.637 1.00 0.00 C ATOM 1725 O ILE A 111 17.253 0.306 -2.609 1.00 0.00 O ATOM 1726 CB ILE A 111 16.718 0.882 -5.960 1.00 0.00 C ATOM 1727 CG1 ILE A 111 16.062 1.825 -6.972 1.00 0.00 C ATOM 1728 CG2 ILE A 111 16.028 -0.482 -6.015 1.00 0.00 C ATOM 1729 CD1 ILE A 111 14.613 2.090 -6.558 1.00 0.00 C ATOM 1730 OXT ILE A 111 18.803 0.910 -3.978 1.00 0.00 O ATOM 0 H ILE A 111 17.441 3.265 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 111 15.584 1.249 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 111 17.774 0.766 -6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 111 16.614 2.763 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 111 16.092 1.384 -7.968 1.00 0.00 H new ATOM 0 HG21 ILE A 111 16.127 -0.899 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 111 16.493 -1.154 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 111 14.972 -0.365 -5.773 1.00 0.00 H new ATOM 0 HD11 ILE A 111 14.146 2.761 -7.278 1.00 0.00 H new ATOM 0 HD12 ILE A 111 14.064 1.149 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.595 2.549 -5.570 1.00 0.00 H new TER 1742 ILE A 111