USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 639 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.5) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 83:sc= 0.0526 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 150:sc=-0.00812 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 34 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0105 USER MOD Single : A 45 CYS SG : rot 85:sc= 0.704 USER MOD Single : A 49 SER OG : rot -91:sc= 1.93 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 63 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.58) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -76:sc= -0.104 USER MOD Single : A 70 SER OG : rot 180:sc= -0.258 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 144:sc= -0.324 (180deg=-2.19!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.909 USER MOD Single : A 78 ASN : amide:sc= -0.209 K(o=-0.21,f=-0.92) USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 82 THR OG1 : rot 109:sc= 0.21 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.225 -33.757 -1.884 1.00 0.00 N ATOM 2 CA GLY A 1 -27.301 -34.623 -2.329 1.00 0.00 C ATOM 3 C GLY A 1 -27.997 -34.093 -3.566 1.00 0.00 C ATOM 4 O GLY A 1 -29.192 -33.799 -3.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.781 -34.163 -1.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.515 -33.670 -2.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.607 -32.816 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.902 -35.616 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.029 -34.735 -1.526 1.00 0.00 H new ATOM 8 N SER A 2 -27.249 -33.969 -4.658 1.00 0.00 N ATOM 9 CA SER A 2 -27.801 -33.465 -5.910 1.00 0.00 C ATOM 10 C SER A 2 -27.361 -34.333 -7.085 1.00 0.00 C ATOM 11 O SER A 2 -26.168 -34.545 -7.302 1.00 0.00 O ATOM 12 CB SER A 2 -27.363 -32.017 -6.139 1.00 0.00 C ATOM 13 OG SER A 2 -28.038 -31.450 -7.248 1.00 0.00 O ATOM 0 H SER A 2 -26.259 -34.211 -4.701 1.00 0.00 H new ATOM 0 HA SER A 2 -28.888 -33.501 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.566 -31.427 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.287 -31.982 -6.307 1.00 0.00 H new ATOM 0 HG SER A 2 -27.742 -30.524 -7.373 1.00 0.00 H new ATOM 19 N SER A 3 -28.334 -34.832 -7.841 1.00 0.00 N ATOM 20 CA SER A 3 -28.049 -35.680 -8.992 1.00 0.00 C ATOM 21 C SER A 3 -27.602 -34.843 -10.186 1.00 0.00 C ATOM 22 O SER A 3 -28.393 -34.107 -10.775 1.00 0.00 O ATOM 23 CB SER A 3 -29.285 -36.502 -9.365 1.00 0.00 C ATOM 24 OG SER A 3 -29.033 -37.316 -10.498 1.00 0.00 O ATOM 0 H SER A 3 -29.326 -34.663 -7.677 1.00 0.00 H new ATOM 0 HA SER A 3 -27.239 -36.357 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.578 -37.127 -8.522 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.121 -35.834 -9.572 1.00 0.00 H new ATOM 0 HG SER A 3 -29.837 -37.832 -10.715 1.00 0.00 H new ATOM 30 N GLY A 4 -26.325 -34.961 -10.539 1.00 0.00 N ATOM 31 CA GLY A 4 -25.793 -34.209 -11.661 1.00 0.00 C ATOM 32 C GLY A 4 -25.166 -32.897 -11.234 1.00 0.00 C ATOM 33 O GLY A 4 -25.547 -32.321 -10.215 1.00 0.00 O ATOM 0 H GLY A 4 -25.650 -35.564 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.048 -34.813 -12.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.593 -34.011 -12.374 1.00 0.00 H new ATOM 37 N SER A 5 -24.201 -32.422 -12.015 1.00 0.00 N ATOM 38 CA SER A 5 -23.516 -31.171 -11.710 1.00 0.00 C ATOM 39 C SER A 5 -22.761 -30.653 -12.930 1.00 0.00 C ATOM 40 O SER A 5 -22.291 -31.432 -13.759 1.00 0.00 O ATOM 41 CB SER A 5 -22.547 -31.368 -10.542 1.00 0.00 C ATOM 42 OG SER A 5 -21.554 -32.328 -10.860 1.00 0.00 O ATOM 0 H SER A 5 -23.876 -32.885 -12.864 1.00 0.00 H new ATOM 0 HA SER A 5 -24.267 -30.433 -11.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.073 -30.418 -10.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.098 -31.689 -9.658 1.00 0.00 H new ATOM 0 HG SER A 5 -20.946 -32.435 -10.099 1.00 0.00 H new ATOM 48 N SER A 6 -22.649 -29.333 -13.032 1.00 0.00 N ATOM 49 CA SER A 6 -21.955 -28.709 -14.153 1.00 0.00 C ATOM 50 C SER A 6 -20.444 -28.758 -13.951 1.00 0.00 C ATOM 51 O SER A 6 -19.893 -28.032 -13.124 1.00 0.00 O ATOM 52 CB SER A 6 -22.412 -27.259 -14.319 1.00 0.00 C ATOM 53 OG SER A 6 -23.790 -27.192 -14.644 1.00 0.00 O ATOM 0 H SER A 6 -23.030 -28.675 -12.352 1.00 0.00 H new ATOM 0 HA SER A 6 -22.201 -29.266 -15.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.225 -26.708 -13.397 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.827 -26.777 -15.102 1.00 0.00 H new ATOM 0 HG SER A 6 -24.058 -26.254 -14.743 1.00 0.00 H new ATOM 59 N GLY A 7 -19.778 -29.621 -14.713 1.00 0.00 N ATOM 60 CA GLY A 7 -18.337 -29.750 -14.603 1.00 0.00 C ATOM 61 C GLY A 7 -17.599 -28.631 -15.311 1.00 0.00 C ATOM 62 O GLY A 7 -17.774 -28.427 -16.512 1.00 0.00 O ATOM 0 H GLY A 7 -20.211 -30.233 -15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.055 -29.758 -13.550 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.028 -30.707 -15.023 1.00 0.00 H new ATOM 66 N GLU A 8 -16.774 -27.903 -14.565 1.00 0.00 N ATOM 67 CA GLU A 8 -16.009 -26.797 -15.129 1.00 0.00 C ATOM 68 C GLU A 8 -14.960 -26.300 -14.139 1.00 0.00 C ATOM 69 O GLU A 8 -15.274 -25.986 -12.991 1.00 0.00 O ATOM 70 CB GLU A 8 -16.943 -25.649 -15.519 1.00 0.00 C ATOM 71 CG GLU A 8 -16.272 -24.579 -16.364 1.00 0.00 C ATOM 72 CD GLU A 8 -16.187 -24.960 -17.829 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.640 -26.042 -18.129 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.667 -24.178 -18.675 1.00 0.00 O ATOM 0 H GLU A 8 -16.618 -28.059 -13.569 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.498 -27.160 -16.021 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.793 -26.054 -16.068 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.338 -25.190 -14.613 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.825 -23.645 -16.267 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.268 -24.396 -15.981 1.00 0.00 H new ATOM 81 N ASP A 9 -13.713 -26.232 -14.592 1.00 0.00 N ATOM 82 CA ASP A 9 -12.616 -25.773 -13.748 1.00 0.00 C ATOM 83 C ASP A 9 -12.390 -24.274 -13.918 1.00 0.00 C ATOM 84 O ASP A 9 -12.760 -23.692 -14.936 1.00 0.00 O ATOM 85 CB ASP A 9 -11.334 -26.536 -14.082 1.00 0.00 C ATOM 86 CG ASP A 9 -11.342 -27.950 -13.535 1.00 0.00 C ATOM 87 OD1 ASP A 9 -11.260 -28.108 -12.299 1.00 0.00 O ATOM 88 OD2 ASP A 9 -11.429 -28.898 -14.343 1.00 0.00 O ATOM 0 H ASP A 9 -13.437 -26.489 -15.540 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.884 -25.966 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.206 -26.569 -15.164 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.478 -25.997 -13.676 1.00 0.00 H new ATOM 93 N ASN A 10 -11.782 -23.655 -12.911 1.00 0.00 N ATOM 94 CA ASN A 10 -11.508 -22.223 -12.949 1.00 0.00 C ATOM 95 C ASN A 10 -10.062 -21.935 -12.557 1.00 0.00 C ATOM 96 O ASN A 10 -9.438 -22.710 -11.833 1.00 0.00 O ATOM 97 CB ASN A 10 -12.460 -21.476 -12.013 1.00 0.00 C ATOM 98 CG ASN A 10 -12.565 -22.134 -10.650 1.00 0.00 C ATOM 99 OD1 ASN A 10 -13.190 -23.184 -10.503 1.00 0.00 O ATOM 100 ND2 ASN A 10 -11.954 -21.516 -9.646 1.00 0.00 N ATOM 0 H ASN A 10 -11.470 -24.122 -12.060 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.665 -21.875 -13.970 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.115 -20.449 -11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.449 -21.428 -12.468 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.991 -21.910 -8.706 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.447 -20.647 -9.815 1.00 0.00 H new ATOM 107 N ARG A 11 -9.535 -20.815 -13.041 1.00 0.00 N ATOM 108 CA ARG A 11 -8.162 -20.425 -12.742 1.00 0.00 C ATOM 109 C ARG A 11 -8.080 -19.716 -11.393 1.00 0.00 C ATOM 110 O ARG A 11 -8.918 -18.873 -11.072 1.00 0.00 O ATOM 111 CB ARG A 11 -7.618 -19.513 -13.844 1.00 0.00 C ATOM 112 CG ARG A 11 -7.258 -20.251 -15.123 1.00 0.00 C ATOM 113 CD ARG A 11 -8.468 -20.419 -16.028 1.00 0.00 C ATOM 114 NE ARG A 11 -8.894 -19.151 -16.614 1.00 0.00 N ATOM 115 CZ ARG A 11 -8.351 -18.627 -17.707 1.00 0.00 C ATOM 116 NH1 ARG A 11 -7.366 -19.259 -18.330 1.00 0.00 N ATOM 117 NH2 ARG A 11 -8.793 -17.469 -18.180 1.00 0.00 N ATOM 0 H ARG A 11 -10.038 -20.162 -13.642 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.555 -21.329 -12.695 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.362 -18.750 -14.072 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.734 -18.995 -13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.479 -19.704 -15.653 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.848 -21.230 -14.876 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.230 -21.124 -16.824 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.291 -20.849 -15.457 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.650 -18.640 -16.159 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.023 -20.150 -17.970 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.951 -18.854 -19.169 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.551 -16.980 -17.704 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.375 -17.068 -19.019 1.00 0.00 H new ATOM 131 N ARG A 12 -7.065 -20.065 -10.609 1.00 0.00 N ATOM 132 CA ARG A 12 -6.875 -19.464 -9.294 1.00 0.00 C ATOM 133 C ARG A 12 -6.479 -17.996 -9.420 1.00 0.00 C ATOM 134 O ARG A 12 -5.977 -17.549 -10.452 1.00 0.00 O ATOM 135 CB ARG A 12 -5.804 -20.227 -8.512 1.00 0.00 C ATOM 136 CG ARG A 12 -6.334 -21.461 -7.800 1.00 0.00 C ATOM 137 CD ARG A 12 -6.477 -22.636 -8.754 1.00 0.00 C ATOM 138 NE ARG A 12 -7.322 -23.691 -8.200 1.00 0.00 N ATOM 139 CZ ARG A 12 -7.970 -24.580 -8.944 1.00 0.00 C ATOM 140 NH1 ARG A 12 -7.871 -24.542 -10.265 1.00 0.00 N ATOM 141 NH2 ARG A 12 -8.720 -25.510 -8.366 1.00 0.00 N ATOM 0 H ARG A 12 -6.362 -20.760 -10.861 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.820 -19.523 -8.755 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.010 -20.526 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.357 -19.558 -7.777 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.660 -21.731 -6.987 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.301 -21.236 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.902 -22.289 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.491 -23.042 -8.979 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.420 -23.748 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.296 -23.829 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.370 -25.226 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.799 -25.542 -7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.217 -26.192 -8.938 1.00 0.00 H new ATOM 155 N PRO A 13 -6.709 -17.227 -8.345 1.00 0.00 N ATOM 156 CA PRO A 13 -6.383 -15.798 -8.311 1.00 0.00 C ATOM 157 C PRO A 13 -4.880 -15.546 -8.291 1.00 0.00 C ATOM 158 O PRO A 13 -4.103 -16.398 -7.858 1.00 0.00 O ATOM 159 CB PRO A 13 -7.023 -15.320 -7.004 1.00 0.00 C ATOM 160 CG PRO A 13 -7.084 -16.536 -6.146 1.00 0.00 C ATOM 161 CD PRO A 13 -7.303 -17.693 -7.082 1.00 0.00 C ATOM 0 HA PRO A 13 -6.746 -15.276 -9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.429 -14.535 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.017 -14.907 -7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.161 -16.661 -5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.895 -16.462 -5.421 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.818 -18.600 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.362 -17.922 -7.197 1.00 0.00 H new ATOM 169 N LEU A 14 -4.475 -14.371 -8.762 1.00 0.00 N ATOM 170 CA LEU A 14 -3.063 -14.006 -8.797 1.00 0.00 C ATOM 171 C LEU A 14 -2.570 -13.601 -7.412 1.00 0.00 C ATOM 172 O LEU A 14 -1.515 -14.049 -6.963 1.00 0.00 O ATOM 173 CB LEU A 14 -2.837 -12.861 -9.787 1.00 0.00 C ATOM 174 CG LEU A 14 -3.050 -13.198 -11.263 1.00 0.00 C ATOM 175 CD1 LEU A 14 -4.530 -13.166 -11.610 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.271 -12.235 -12.147 1.00 0.00 C ATOM 0 H LEU A 14 -5.105 -13.655 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.496 -14.878 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.505 -12.041 -9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.818 -12.495 -9.662 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.678 -14.207 -11.443 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.662 -13.408 -12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.062 -13.896 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.928 -12.170 -11.414 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.434 -12.489 -13.194 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.612 -11.216 -11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.208 -12.309 -11.917 1.00 0.00 H new ATOM 188 N TRP A 15 -3.341 -12.753 -6.740 1.00 0.00 N ATOM 189 CA TRP A 15 -2.983 -12.290 -5.404 1.00 0.00 C ATOM 190 C TRP A 15 -3.643 -13.152 -4.334 1.00 0.00 C ATOM 191 O TRP A 15 -4.338 -14.119 -4.645 1.00 0.00 O ATOM 192 CB TRP A 15 -3.393 -10.828 -5.223 1.00 0.00 C ATOM 193 CG TRP A 15 -3.133 -9.983 -6.433 1.00 0.00 C ATOM 194 CD1 TRP A 15 -4.053 -9.559 -7.350 1.00 0.00 C ATOM 195 CD2 TRP A 15 -1.869 -9.462 -6.860 1.00 0.00 C ATOM 196 NE1 TRP A 15 -3.437 -8.806 -8.320 1.00 0.00 N ATOM 197 CE2 TRP A 15 -2.097 -8.731 -8.042 1.00 0.00 C ATOM 198 CE3 TRP A 15 -0.568 -9.541 -6.357 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -1.072 -8.085 -8.727 1.00 0.00 C ATOM 200 CZ3 TRP A 15 0.449 -8.900 -7.038 1.00 0.00 C ATOM 201 CH2 TRP A 15 0.193 -8.179 -8.212 1.00 0.00 C ATOM 0 H TRP A 15 -4.217 -12.372 -7.098 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.902 -12.374 -5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.454 -10.784 -4.979 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.853 -10.409 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.109 -9.783 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.902 -8.373 -9.118 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.361 -10.093 -5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.268 -7.530 -9.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.459 -8.956 -6.659 1.00 0.00 H new ATOM 0 HH2 TRP A 15 1.010 -7.688 -8.720 1.00 0.00 H new ATOM 212 N GLU A 16 -3.420 -12.796 -3.073 1.00 0.00 N ATOM 213 CA GLU A 16 -3.994 -13.540 -1.957 1.00 0.00 C ATOM 214 C GLU A 16 -5.040 -12.703 -1.226 1.00 0.00 C ATOM 215 O GLU A 16 -5.067 -11.476 -1.321 1.00 0.00 O ATOM 216 CB GLU A 16 -2.895 -13.968 -0.982 1.00 0.00 C ATOM 217 CG GLU A 16 -2.218 -15.274 -1.362 1.00 0.00 C ATOM 218 CD GLU A 16 -3.180 -16.446 -1.378 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.792 -16.696 -2.437 1.00 0.00 O ATOM 220 OE2 GLU A 16 -3.320 -17.113 -0.332 1.00 0.00 O ATOM 0 H GLU A 16 -2.847 -11.998 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.481 -14.429 -2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.143 -13.181 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.324 -14.068 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.762 -15.170 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.412 -15.480 -0.658 1.00 0.00 H new ATOM 227 N PRO A 17 -5.924 -13.382 -0.481 1.00 0.00 N ATOM 228 CA PRO A 17 -6.989 -12.723 0.281 1.00 0.00 C ATOM 229 C PRO A 17 -6.449 -11.931 1.467 1.00 0.00 C ATOM 230 O PRO A 17 -6.904 -10.821 1.742 1.00 0.00 O ATOM 231 CB PRO A 17 -7.853 -13.889 0.766 1.00 0.00 C ATOM 232 CG PRO A 17 -6.928 -15.057 0.802 1.00 0.00 C ATOM 233 CD PRO A 17 -5.952 -14.846 -0.322 1.00 0.00 C ATOM 0 HA PRO A 17 -7.531 -11.996 -0.323 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.274 -13.687 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.691 -14.068 0.092 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.412 -15.117 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.474 -15.992 0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.966 -15.242 -0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.278 -15.343 -1.236 1.00 0.00 H new ATOM 241 N GLU A 18 -5.476 -12.508 2.164 1.00 0.00 N ATOM 242 CA GLU A 18 -4.875 -11.855 3.321 1.00 0.00 C ATOM 243 C GLU A 18 -4.140 -10.583 2.906 1.00 0.00 C ATOM 244 O GLU A 18 -4.284 -9.537 3.539 1.00 0.00 O ATOM 245 CB GLU A 18 -3.908 -12.807 4.028 1.00 0.00 C ATOM 246 CG GLU A 18 -2.791 -13.316 3.132 1.00 0.00 C ATOM 247 CD GLU A 18 -2.152 -14.585 3.661 1.00 0.00 C ATOM 248 OE1 GLU A 18 -1.567 -14.540 4.764 1.00 0.00 O ATOM 249 OE2 GLU A 18 -2.236 -15.624 2.973 1.00 0.00 O ATOM 0 H GLU A 18 -5.087 -13.426 1.948 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.676 -11.585 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.470 -12.296 4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.468 -13.658 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.187 -13.502 2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.028 -12.543 3.034 1.00 0.00 H new ATOM 256 N GLU A 19 -3.353 -10.682 1.840 1.00 0.00 N ATOM 257 CA GLU A 19 -2.595 -9.540 1.342 1.00 0.00 C ATOM 258 C GLU A 19 -3.530 -8.452 0.821 1.00 0.00 C ATOM 259 O GLU A 19 -4.419 -8.715 0.011 1.00 0.00 O ATOM 260 CB GLU A 19 -1.638 -9.980 0.232 1.00 0.00 C ATOM 261 CG GLU A 19 -0.270 -10.402 0.739 1.00 0.00 C ATOM 262 CD GLU A 19 -0.342 -11.559 1.717 1.00 0.00 C ATOM 263 OE1 GLU A 19 -0.529 -12.707 1.263 1.00 0.00 O ATOM 264 OE2 GLU A 19 -0.212 -11.317 2.935 1.00 0.00 O ATOM 0 H GLU A 19 -3.223 -11.540 1.305 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.016 -9.131 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.086 -10.810 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.517 -9.161 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.356 -10.685 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.212 -9.552 1.222 1.00 0.00 H new ATOM 271 N THR A 20 -3.323 -7.226 1.294 1.00 0.00 N ATOM 272 CA THR A 20 -4.147 -6.098 0.879 1.00 0.00 C ATOM 273 C THR A 20 -3.784 -5.642 -0.530 1.00 0.00 C ATOM 274 O THR A 20 -2.739 -5.028 -0.745 1.00 0.00 O ATOM 275 CB THR A 20 -3.998 -4.908 1.846 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.394 -5.297 3.166 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.840 -3.728 1.386 1.00 0.00 C ATOM 0 H THR A 20 -2.592 -6.990 1.965 1.00 0.00 H new ATOM 0 HA THR A 20 -5.182 -6.440 0.892 1.00 0.00 H new ATOM 0 HB THR A 20 -2.951 -4.605 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.295 -4.536 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.718 -2.900 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.517 -3.416 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.889 -4.022 1.350 1.00 0.00 H new ATOM 285 N VAL A 21 -4.656 -5.944 -1.487 1.00 0.00 N ATOM 286 CA VAL A 21 -4.428 -5.563 -2.876 1.00 0.00 C ATOM 287 C VAL A 21 -5.473 -4.558 -3.348 1.00 0.00 C ATOM 288 O VAL A 21 -6.667 -4.722 -3.095 1.00 0.00 O ATOM 289 CB VAL A 21 -4.454 -6.790 -3.806 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.219 -6.372 -5.249 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.420 -7.815 -3.365 1.00 0.00 C ATOM 0 H VAL A 21 -5.526 -6.451 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.440 -5.104 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.440 -7.251 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.241 -7.253 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.000 -5.678 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.247 -5.886 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.452 -8.675 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.427 -7.367 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.639 -8.138 -2.347 1.00 0.00 H new ATOM 301 N VAL A 22 -5.016 -3.518 -4.038 1.00 0.00 N ATOM 302 CA VAL A 22 -5.912 -2.486 -4.548 1.00 0.00 C ATOM 303 C VAL A 22 -5.884 -2.439 -6.071 1.00 0.00 C ATOM 304 O VAL A 22 -5.025 -3.052 -6.706 1.00 0.00 O ATOM 305 CB VAL A 22 -5.540 -1.097 -3.996 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.915 -0.989 -2.525 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.058 -0.823 -4.198 1.00 0.00 C ATOM 0 H VAL A 22 -4.031 -3.367 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.917 -2.745 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.104 -0.344 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.645 -0.001 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.989 -1.139 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.380 -1.750 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.813 0.163 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.473 -1.580 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.824 -0.855 -5.262 1.00 0.00 H new ATOM 317 N ILE A 23 -6.829 -1.708 -6.652 1.00 0.00 N ATOM 318 CA ILE A 23 -6.913 -1.580 -8.102 1.00 0.00 C ATOM 319 C ILE A 23 -7.062 -0.120 -8.517 1.00 0.00 C ATOM 320 O ILE A 23 -7.703 0.670 -7.825 1.00 0.00 O ATOM 321 CB ILE A 23 -8.094 -2.387 -8.672 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.121 -3.791 -8.063 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.000 -2.464 -10.188 1.00 0.00 C ATOM 324 CD1 ILE A 23 -8.874 -3.866 -6.753 1.00 0.00 C ATOM 0 H ILE A 23 -7.548 -1.195 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.983 -1.978 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.022 -1.879 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.577 -4.479 -8.775 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.097 -4.129 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.842 -3.038 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.023 -1.457 -10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.067 -2.952 -10.470 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.852 -4.890 -6.379 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.405 -3.204 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.908 -3.559 -6.910 1.00 0.00 H new ATOM 336 N ALA A 24 -6.467 0.230 -9.653 1.00 0.00 N ATOM 337 CA ALA A 24 -6.537 1.594 -10.162 1.00 0.00 C ATOM 338 C ALA A 24 -7.764 1.787 -11.047 1.00 0.00 C ATOM 339 O ALA A 24 -7.999 1.014 -11.977 1.00 0.00 O ATOM 340 CB ALA A 24 -5.270 1.936 -10.932 1.00 0.00 C ATOM 0 H ALA A 24 -5.932 -0.412 -10.238 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.625 2.269 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.336 2.958 -11.306 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.408 1.847 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.157 1.249 -11.771 1.00 0.00 H new ATOM 346 N LEU A 25 -8.544 2.821 -10.753 1.00 0.00 N ATOM 347 CA LEU A 25 -9.748 3.116 -11.522 1.00 0.00 C ATOM 348 C LEU A 25 -9.397 3.777 -12.851 1.00 0.00 C ATOM 349 O LEU A 25 -9.990 3.469 -13.885 1.00 0.00 O ATOM 350 CB LEU A 25 -10.681 4.023 -10.718 1.00 0.00 C ATOM 351 CG LEU A 25 -11.116 3.495 -9.351 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.420 4.647 -8.406 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.328 2.585 -9.491 1.00 0.00 C ATOM 0 H LEU A 25 -8.364 3.470 -9.987 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.257 2.175 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.186 4.983 -10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.574 4.211 -11.314 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.296 2.913 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.728 4.252 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.527 5.260 -8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.223 5.256 -8.821 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.623 2.219 -8.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.153 3.143 -9.933 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.077 1.740 -10.132 1.00 0.00 H new ATOM 365 N TYR A 26 -8.429 4.686 -12.816 1.00 0.00 N ATOM 366 CA TYR A 26 -7.999 5.392 -14.017 1.00 0.00 C ATOM 367 C TYR A 26 -6.481 5.344 -14.163 1.00 0.00 C ATOM 368 O TYR A 26 -5.762 5.063 -13.204 1.00 0.00 O ATOM 369 CB TYR A 26 -8.473 6.846 -13.977 1.00 0.00 C ATOM 370 CG TYR A 26 -9.831 7.022 -13.337 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.962 7.138 -11.959 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.984 7.075 -14.111 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.201 7.298 -11.370 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.227 7.237 -13.531 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.331 7.348 -12.160 1.00 0.00 C ATOM 376 OH TYR A 26 -13.567 7.509 -11.577 1.00 0.00 O ATOM 0 H TYR A 26 -7.927 4.951 -11.969 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.445 4.895 -14.879 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.743 7.443 -13.430 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.506 7.237 -14.994 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.080 7.102 -11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.907 6.988 -15.185 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.285 7.384 -10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.113 7.277 -14.148 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.257 7.525 -12.273 1.00 0.00 H new ATOM 386 N ASP A 27 -6.001 5.620 -15.370 1.00 0.00 N ATOM 387 CA ASP A 27 -4.568 5.611 -15.644 1.00 0.00 C ATOM 388 C ASP A 27 -3.906 6.880 -15.117 1.00 0.00 C ATOM 389 O ASP A 27 -4.170 7.979 -15.606 1.00 0.00 O ATOM 390 CB ASP A 27 -4.315 5.475 -17.146 1.00 0.00 C ATOM 391 CG ASP A 27 -5.166 4.392 -17.781 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.338 4.674 -18.109 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.660 3.263 -17.950 1.00 0.00 O ATOM 0 H ASP A 27 -6.583 5.853 -16.175 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.131 4.755 -15.131 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.521 6.428 -17.634 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.262 5.251 -17.315 1.00 0.00 H new ATOM 398 N TYR A 28 -3.047 6.721 -14.116 1.00 0.00 N ATOM 399 CA TYR A 28 -2.350 7.855 -13.520 1.00 0.00 C ATOM 400 C TYR A 28 -0.934 7.977 -14.076 1.00 0.00 C ATOM 401 O TYR A 28 -0.206 6.989 -14.171 1.00 0.00 O ATOM 402 CB TYR A 28 -2.302 7.708 -11.999 1.00 0.00 C ATOM 403 CG TYR A 28 -1.485 8.780 -11.312 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.041 10.017 -11.010 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.159 8.555 -10.966 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.298 10.999 -10.384 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.591 9.531 -10.338 1.00 0.00 C ATOM 408 CZ TYR A 28 0.017 10.751 -10.049 1.00 0.00 C ATOM 409 OH TYR A 28 0.759 11.727 -9.424 1.00 0.00 O ATOM 0 H TYR A 28 -2.817 5.818 -13.700 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.900 8.762 -13.773 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.319 7.732 -11.608 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.887 6.731 -11.750 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.071 10.214 -11.269 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.294 7.601 -11.192 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.744 11.956 -10.158 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.621 9.339 -10.075 1.00 0.00 H new ATOM 0 HH TYR A 28 0.581 11.706 -8.460 1.00 0.00 H new ATOM 419 N GLN A 29 -0.552 9.196 -14.441 1.00 0.00 N ATOM 420 CA GLN A 29 0.776 9.449 -14.987 1.00 0.00 C ATOM 421 C GLN A 29 1.479 10.563 -14.217 1.00 0.00 C ATOM 422 O GLN A 29 0.832 11.430 -13.629 1.00 0.00 O ATOM 423 CB GLN A 29 0.680 9.818 -16.468 1.00 0.00 C ATOM 424 CG GLN A 29 0.680 8.614 -17.396 1.00 0.00 C ATOM 425 CD GLN A 29 0.274 8.970 -18.813 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.022 9.626 -19.539 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.915 8.538 -19.215 1.00 0.00 N ATOM 0 H GLN A 29 -1.143 10.024 -14.369 1.00 0.00 H new ATOM 0 HA GLN A 29 1.363 8.536 -14.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.231 10.393 -16.632 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.517 10.466 -16.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.675 8.169 -17.408 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.002 7.859 -17.005 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.503 7.997 -18.580 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.241 8.747 -20.159 1.00 0.00 H new ATOM 436 N THR A 30 2.808 10.533 -14.225 1.00 0.00 N ATOM 437 CA THR A 30 3.598 11.539 -13.526 1.00 0.00 C ATOM 438 C THR A 30 4.951 11.739 -14.199 1.00 0.00 C ATOM 439 O THR A 30 5.489 10.822 -14.819 1.00 0.00 O ATOM 440 CB THR A 30 3.823 11.153 -12.052 1.00 0.00 C ATOM 441 OG1 THR A 30 4.659 12.125 -11.413 1.00 0.00 O ATOM 442 CG2 THR A 30 4.464 9.777 -11.945 1.00 0.00 C ATOM 0 H THR A 30 3.359 9.823 -14.707 1.00 0.00 H new ATOM 0 HA THR A 30 3.033 12.470 -13.567 1.00 0.00 H new ATOM 0 HB THR A 30 2.854 11.125 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.429 12.180 -10.462 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.613 9.526 -10.895 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.812 9.035 -12.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.426 9.783 -12.457 1.00 0.00 H new ATOM 450 N ASN A 31 5.497 12.945 -14.073 1.00 0.00 N ATOM 451 CA ASN A 31 6.789 13.265 -14.670 1.00 0.00 C ATOM 452 C ASN A 31 7.930 12.890 -13.730 1.00 0.00 C ATOM 453 O ASN A 31 9.033 12.569 -14.173 1.00 0.00 O ATOM 454 CB ASN A 31 6.862 14.755 -15.009 1.00 0.00 C ATOM 455 CG ASN A 31 8.153 15.125 -15.713 1.00 0.00 C ATOM 456 OD1 ASN A 31 8.756 14.302 -16.401 1.00 0.00 O ATOM 457 ND2 ASN A 31 8.584 16.370 -15.542 1.00 0.00 N ATOM 0 H ASN A 31 5.065 13.716 -13.563 1.00 0.00 H new ATOM 0 HA ASN A 31 6.891 12.685 -15.587 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.016 15.023 -15.642 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.771 15.338 -14.093 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.447 16.677 -15.990 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.052 17.019 -14.963 1.00 0.00 H new ATOM 464 N ASP A 32 7.657 12.931 -12.431 1.00 0.00 N ATOM 465 CA ASP A 32 8.660 12.594 -11.427 1.00 0.00 C ATOM 466 C ASP A 32 8.749 11.083 -11.234 1.00 0.00 C ATOM 467 O ASP A 32 7.751 10.365 -11.295 1.00 0.00 O ATOM 468 CB ASP A 32 8.330 13.272 -10.097 1.00 0.00 C ATOM 469 CG ASP A 32 7.949 14.729 -10.269 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.528 15.393 -11.153 1.00 0.00 O ATOM 471 OD2 ASP A 32 7.071 15.206 -9.518 1.00 0.00 O ATOM 0 H ASP A 32 6.749 13.194 -12.048 1.00 0.00 H new ATOM 0 HA ASP A 32 9.626 12.955 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.510 12.740 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.191 13.201 -9.433 1.00 0.00 H new ATOM 476 N PRO A 33 9.973 10.587 -10.997 1.00 0.00 N ATOM 477 CA PRO A 33 10.221 9.157 -10.791 1.00 0.00 C ATOM 478 C PRO A 33 9.654 8.655 -9.467 1.00 0.00 C ATOM 479 O PRO A 33 9.053 7.583 -9.407 1.00 0.00 O ATOM 480 CB PRO A 33 11.749 9.059 -10.790 1.00 0.00 C ATOM 481 CG PRO A 33 12.215 10.409 -10.367 1.00 0.00 C ATOM 482 CD PRO A 33 11.208 11.384 -10.911 1.00 0.00 C ATOM 0 HA PRO A 33 9.741 8.546 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.096 8.287 -10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.130 8.800 -11.778 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.277 10.478 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.211 10.618 -10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.086 12.244 -10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.507 11.768 -11.886 1.00 0.00 H new ATOM 490 N GLN A 34 9.850 9.437 -8.410 1.00 0.00 N ATOM 491 CA GLN A 34 9.357 9.071 -7.088 1.00 0.00 C ATOM 492 C GLN A 34 7.927 8.546 -7.165 1.00 0.00 C ATOM 493 O GLN A 34 7.590 7.542 -6.540 1.00 0.00 O ATOM 494 CB GLN A 34 9.422 10.273 -6.145 1.00 0.00 C ATOM 495 CG GLN A 34 10.756 10.416 -5.431 1.00 0.00 C ATOM 496 CD GLN A 34 10.687 11.361 -4.248 1.00 0.00 C ATOM 497 OE1 GLN A 34 9.630 11.913 -3.940 1.00 0.00 O ATOM 498 NE2 GLN A 34 11.816 11.553 -3.576 1.00 0.00 N ATOM 0 H GLN A 34 10.346 10.327 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 34 9.995 8.278 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.225 11.182 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.630 10.184 -5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 34 11.087 9.436 -5.089 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.504 10.777 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.669 11.075 -3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.830 12.178 -2.770 1.00 0.00 H new ATOM 507 N GLU A 35 7.091 9.234 -7.937 1.00 0.00 N ATOM 508 CA GLU A 35 5.697 8.837 -8.095 1.00 0.00 C ATOM 509 C GLU A 35 5.550 7.793 -9.198 1.00 0.00 C ATOM 510 O GLU A 35 6.149 7.914 -10.267 1.00 0.00 O ATOM 511 CB GLU A 35 4.829 10.056 -8.413 1.00 0.00 C ATOM 512 CG GLU A 35 4.406 10.840 -7.181 1.00 0.00 C ATOM 513 CD GLU A 35 5.524 11.701 -6.626 1.00 0.00 C ATOM 514 OE1 GLU A 35 6.259 12.311 -7.430 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.662 11.766 -5.387 1.00 0.00 O ATOM 0 H GLU A 35 7.355 10.068 -8.462 1.00 0.00 H new ATOM 0 HA GLU A 35 5.363 8.397 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.378 10.717 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.938 9.728 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.555 11.473 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.070 10.146 -6.411 1.00 0.00 H new ATOM 522 N LEU A 36 4.749 6.767 -8.930 1.00 0.00 N ATOM 523 CA LEU A 36 4.523 5.700 -9.899 1.00 0.00 C ATOM 524 C LEU A 36 3.254 5.957 -10.706 1.00 0.00 C ATOM 525 O LEU A 36 2.277 6.498 -10.189 1.00 0.00 O ATOM 526 CB LEU A 36 4.422 4.350 -9.186 1.00 0.00 C ATOM 527 CG LEU A 36 4.138 3.140 -10.077 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.431 2.588 -10.656 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.399 2.064 -9.295 1.00 0.00 C ATOM 0 H LEU A 36 4.246 6.652 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 36 5.370 5.680 -10.585 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.356 4.172 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.634 4.416 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 36 3.503 3.462 -10.903 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.209 1.728 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.921 3.358 -11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.092 2.282 -9.845 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.205 1.210 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.009 1.745 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.453 2.464 -8.930 1.00 0.00 H new ATOM 541 N ALA A 37 3.277 5.565 -11.975 1.00 0.00 N ATOM 542 CA ALA A 37 2.128 5.749 -12.852 1.00 0.00 C ATOM 543 C ALA A 37 1.231 4.515 -12.849 1.00 0.00 C ATOM 544 O ALA A 37 1.555 3.499 -13.465 1.00 0.00 O ATOM 545 CB ALA A 37 2.589 6.065 -14.268 1.00 0.00 C ATOM 0 H ALA A 37 4.079 5.118 -12.419 1.00 0.00 H new ATOM 0 HA ALA A 37 1.546 6.590 -12.475 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.720 6.200 -14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.182 6.980 -14.262 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.196 5.242 -14.645 1.00 0.00 H new ATOM 551 N LEU A 38 0.104 4.611 -12.152 1.00 0.00 N ATOM 552 CA LEU A 38 -0.839 3.502 -12.069 1.00 0.00 C ATOM 553 C LEU A 38 -1.321 3.090 -13.456 1.00 0.00 C ATOM 554 O LEU A 38 -1.042 3.766 -14.447 1.00 0.00 O ATOM 555 CB LEU A 38 -2.035 3.888 -11.196 1.00 0.00 C ATOM 556 CG LEU A 38 -1.755 4.030 -9.699 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.949 4.649 -8.989 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.413 2.678 -9.090 1.00 0.00 C ATOM 0 H LEU A 38 -0.178 5.445 -11.637 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.324 2.654 -11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.436 4.833 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.814 3.138 -11.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.898 4.692 -9.570 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.731 4.742 -7.925 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.149 5.636 -9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.824 4.013 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.217 2.798 -8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.250 1.994 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.527 2.272 -9.579 1.00 0.00 H new ATOM 570 N ARG A 39 -2.046 1.978 -13.520 1.00 0.00 N ATOM 571 CA ARG A 39 -2.567 1.477 -14.786 1.00 0.00 C ATOM 572 C ARG A 39 -4.038 1.092 -14.654 1.00 0.00 C ATOM 573 O ARG A 39 -4.441 0.468 -13.672 1.00 0.00 O ATOM 574 CB ARG A 39 -1.753 0.270 -15.255 1.00 0.00 C ATOM 575 CG ARG A 39 -1.777 0.067 -16.761 1.00 0.00 C ATOM 576 CD ARG A 39 -2.933 -0.825 -17.185 1.00 0.00 C ATOM 577 NE ARG A 39 -3.414 -0.499 -18.525 1.00 0.00 N ATOM 578 CZ ARG A 39 -2.775 -0.842 -19.638 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.636 -1.517 -19.572 1.00 0.00 N ATOM 580 NH2 ARG A 39 -3.276 -0.509 -20.821 1.00 0.00 N ATOM 0 H ARG A 39 -2.286 1.407 -12.710 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.482 2.273 -15.526 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.720 0.391 -14.930 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.137 -0.627 -14.770 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.861 1.033 -17.258 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.836 -0.377 -17.084 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.615 -1.867 -17.158 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.751 -0.722 -16.472 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.288 0.020 -18.611 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.248 -1.775 -18.665 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.148 -1.779 -20.429 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.152 0.011 -20.876 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.785 -0.773 -21.675 1.00 0.00 H new ATOM 594 N ARG A 40 -4.834 1.469 -15.649 1.00 0.00 N ATOM 595 CA ARG A 40 -6.260 1.165 -15.644 1.00 0.00 C ATOM 596 C ARG A 40 -6.494 -0.343 -15.621 1.00 0.00 C ATOM 597 O ARG A 40 -5.920 -1.082 -16.419 1.00 0.00 O ATOM 598 CB ARG A 40 -6.939 1.778 -16.870 1.00 0.00 C ATOM 599 CG ARG A 40 -8.439 1.540 -16.919 1.00 0.00 C ATOM 600 CD ARG A 40 -9.130 2.527 -17.845 1.00 0.00 C ATOM 601 NE ARG A 40 -10.394 2.005 -18.357 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.480 1.158 -19.378 1.00 0.00 C ATOM 603 NH1 ARG A 40 -9.381 0.741 -19.991 1.00 0.00 N ATOM 604 NH2 ARG A 40 -11.667 0.728 -19.786 1.00 0.00 N ATOM 0 H ARG A 40 -4.516 1.985 -16.469 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.695 1.597 -14.743 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.750 2.851 -16.881 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.485 1.365 -17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.636 0.523 -17.258 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.855 1.628 -15.916 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.313 3.459 -17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.471 2.763 -18.680 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.258 2.307 -17.907 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.467 1.070 -19.679 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.449 0.091 -20.774 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.514 1.047 -19.316 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.732 0.078 -20.569 1.00 0.00 H new ATOM 618 N ASN A 41 -7.340 -0.791 -14.699 1.00 0.00 N ATOM 619 CA ASN A 41 -7.650 -2.210 -14.571 1.00 0.00 C ATOM 620 C ASN A 41 -6.397 -3.011 -14.229 1.00 0.00 C ATOM 621 O ASN A 41 -6.072 -3.990 -14.900 1.00 0.00 O ATOM 622 CB ASN A 41 -8.268 -2.738 -15.867 1.00 0.00 C ATOM 623 CG ASN A 41 -9.604 -2.092 -16.176 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.262 -1.547 -15.289 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.013 -2.150 -17.438 1.00 0.00 N ATOM 0 H ASN A 41 -7.823 -0.192 -14.030 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.369 -2.328 -13.760 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.581 -2.558 -16.694 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.399 -3.817 -15.790 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.905 -1.733 -17.705 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.435 -2.612 -18.141 1.00 0.00 H new ATOM 632 N GLU A 42 -5.699 -2.588 -13.179 1.00 0.00 N ATOM 633 CA GLU A 42 -4.482 -3.266 -12.748 1.00 0.00 C ATOM 634 C GLU A 42 -4.345 -3.225 -11.229 1.00 0.00 C ATOM 635 O GLU A 42 -4.467 -2.166 -10.614 1.00 0.00 O ATOM 636 CB GLU A 42 -3.256 -2.624 -13.400 1.00 0.00 C ATOM 637 CG GLU A 42 -2.888 -3.237 -14.741 1.00 0.00 C ATOM 638 CD GLU A 42 -2.196 -4.579 -14.599 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.080 -4.613 -14.039 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.769 -5.593 -15.047 1.00 0.00 O ATOM 0 H GLU A 42 -5.955 -1.780 -12.612 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.547 -4.308 -13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.443 -1.559 -13.536 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.406 -2.714 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.790 -3.359 -15.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.236 -2.552 -15.283 1.00 0.00 H new ATOM 647 N GLU A 43 -4.091 -4.385 -10.632 1.00 0.00 N ATOM 648 CA GLU A 43 -3.939 -4.481 -9.185 1.00 0.00 C ATOM 649 C GLU A 43 -2.557 -4.000 -8.750 1.00 0.00 C ATOM 650 O GLU A 43 -1.637 -3.905 -9.562 1.00 0.00 O ATOM 651 CB GLU A 43 -4.158 -5.922 -8.721 1.00 0.00 C ATOM 652 CG GLU A 43 -5.518 -6.484 -9.101 1.00 0.00 C ATOM 653 CD GLU A 43 -5.531 -7.090 -10.491 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.844 -8.112 -10.699 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.230 -6.543 -11.369 1.00 0.00 O ATOM 0 H GLU A 43 -3.986 -5.270 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.690 -3.840 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.380 -6.555 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.045 -5.967 -7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.809 -7.243 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.263 -5.690 -9.048 1.00 0.00 H new ATOM 662 N TYR A 44 -2.421 -3.697 -7.464 1.00 0.00 N ATOM 663 CA TYR A 44 -1.153 -3.223 -6.921 1.00 0.00 C ATOM 664 C TYR A 44 -1.025 -3.582 -5.443 1.00 0.00 C ATOM 665 O TYR A 44 -1.913 -3.288 -4.642 1.00 0.00 O ATOM 666 CB TYR A 44 -1.031 -1.709 -7.101 1.00 0.00 C ATOM 667 CG TYR A 44 -0.827 -1.286 -8.538 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.903 -1.185 -9.413 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.440 -0.987 -9.022 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.721 -0.799 -10.727 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.631 -0.599 -10.334 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.453 -0.506 -11.182 1.00 0.00 C ATOM 673 OH TYR A 44 -0.267 -0.121 -12.490 1.00 0.00 O ATOM 0 H TYR A 44 -3.172 -3.771 -6.778 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.347 -3.714 -7.467 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.932 -1.232 -6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.196 -1.346 -6.502 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.898 -1.412 -9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.291 -1.059 -8.361 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.567 -0.727 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.623 -0.370 -10.694 1.00 0.00 H new ATOM 0 HH TYR A 44 0.685 0.050 -12.649 1.00 0.00 H new ATOM 683 N CYS A 45 0.086 -4.219 -5.090 1.00 0.00 N ATOM 684 CA CYS A 45 0.331 -4.620 -3.709 1.00 0.00 C ATOM 685 C CYS A 45 0.681 -3.411 -2.847 1.00 0.00 C ATOM 686 O CYS A 45 1.648 -2.699 -3.119 1.00 0.00 O ATOM 687 CB CYS A 45 1.461 -5.648 -3.648 1.00 0.00 C ATOM 688 SG CYS A 45 0.918 -7.357 -3.883 1.00 0.00 S ATOM 0 H CYS A 45 0.831 -4.469 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.582 -5.070 -3.319 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.200 -5.405 -4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.960 -5.566 -2.683 1.00 0.00 H new ATOM 0 HG CYS A 45 0.842 -7.617 -5.154 1.00 0.00 H new ATOM 694 N LEU A 46 -0.114 -3.184 -1.807 1.00 0.00 N ATOM 695 CA LEU A 46 0.110 -2.060 -0.904 1.00 0.00 C ATOM 696 C LEU A 46 1.372 -2.271 -0.074 1.00 0.00 C ATOM 697 O LEU A 46 1.499 -3.265 0.641 1.00 0.00 O ATOM 698 CB LEU A 46 -1.096 -1.874 0.019 1.00 0.00 C ATOM 699 CG LEU A 46 -1.044 -0.665 0.954 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.182 0.627 0.164 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.133 -0.764 2.013 1.00 0.00 C ATOM 0 H LEU A 46 -0.919 -3.763 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 46 0.240 -1.162 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.991 -1.793 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.206 -2.773 0.625 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.076 -0.658 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.143 1.476 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.367 0.702 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.135 0.630 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.082 0.104 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.109 -0.796 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.989 -1.672 2.599 1.00 0.00 H new ATOM 713 N LEU A 47 2.303 -1.328 -0.174 1.00 0.00 N ATOM 714 CA LEU A 47 3.556 -1.409 0.570 1.00 0.00 C ATOM 715 C LEU A 47 3.434 -0.709 1.920 1.00 0.00 C ATOM 716 O LEU A 47 3.739 -1.291 2.961 1.00 0.00 O ATOM 717 CB LEU A 47 4.693 -0.784 -0.240 1.00 0.00 C ATOM 718 CG LEU A 47 5.006 -1.449 -1.582 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.064 -0.658 -2.336 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.460 -2.886 -1.372 1.00 0.00 C ATOM 0 H LEU A 47 2.214 -0.499 -0.762 1.00 0.00 H new ATOM 0 HA LEU A 47 3.778 -2.461 0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.449 0.262 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.597 -0.798 0.369 1.00 0.00 H new ATOM 0 HG LEU A 47 4.095 -1.461 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.274 -1.146 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.701 0.353 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.977 -0.614 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.678 -3.343 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.358 -2.897 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.670 -3.448 -0.875 1.00 0.00 H new ATOM 732 N ASP A 48 2.985 0.541 1.894 1.00 0.00 N ATOM 733 CA ASP A 48 2.820 1.319 3.116 1.00 0.00 C ATOM 734 C ASP A 48 2.027 2.594 2.845 1.00 0.00 C ATOM 735 O ASP A 48 2.433 3.429 2.037 1.00 0.00 O ATOM 736 CB ASP A 48 4.184 1.669 3.712 1.00 0.00 C ATOM 737 CG ASP A 48 4.102 2.009 5.187 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.097 2.626 5.599 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.042 1.656 5.930 1.00 0.00 O ATOM 0 H ASP A 48 2.729 1.037 1.040 1.00 0.00 H new ATOM 0 HA ASP A 48 2.265 0.712 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.864 0.829 3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.608 2.515 3.170 1.00 0.00 H new ATOM 744 N SER A 49 0.894 2.737 3.525 1.00 0.00 N ATOM 745 CA SER A 49 0.042 3.907 3.354 1.00 0.00 C ATOM 746 C SER A 49 0.495 5.046 4.262 1.00 0.00 C ATOM 747 O SER A 49 -0.325 5.800 4.787 1.00 0.00 O ATOM 748 CB SER A 49 -1.416 3.551 3.652 1.00 0.00 C ATOM 749 OG SER A 49 -2.080 3.099 2.485 1.00 0.00 O ATOM 0 H SER A 49 0.545 2.056 4.200 1.00 0.00 H new ATOM 0 HA SER A 49 0.123 4.237 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.455 2.777 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.932 4.424 4.053 1.00 0.00 H new ATOM 0 HG SER A 49 -2.492 3.861 2.027 1.00 0.00 H new ATOM 755 N SER A 50 1.806 5.165 4.443 1.00 0.00 N ATOM 756 CA SER A 50 2.370 6.209 5.290 1.00 0.00 C ATOM 757 C SER A 50 1.568 7.501 5.167 1.00 0.00 C ATOM 758 O SER A 50 1.254 8.147 6.166 1.00 0.00 O ATOM 759 CB SER A 50 3.831 6.465 4.917 1.00 0.00 C ATOM 760 OG SER A 50 4.613 5.295 5.084 1.00 0.00 O ATOM 0 H SER A 50 2.498 4.551 4.014 1.00 0.00 H new ATOM 0 HA SER A 50 2.321 5.868 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.892 6.802 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.233 7.266 5.537 1.00 0.00 H new ATOM 0 HG SER A 50 5.542 5.485 4.837 1.00 0.00 H new ATOM 766 N GLU A 51 1.241 7.871 3.932 1.00 0.00 N ATOM 767 CA GLU A 51 0.476 9.087 3.678 1.00 0.00 C ATOM 768 C GLU A 51 -0.994 8.763 3.430 1.00 0.00 C ATOM 769 O GLU A 51 -1.355 7.609 3.195 1.00 0.00 O ATOM 770 CB GLU A 51 1.054 9.837 2.475 1.00 0.00 C ATOM 771 CG GLU A 51 2.130 10.843 2.845 1.00 0.00 C ATOM 772 CD GLU A 51 2.486 11.766 1.696 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.806 12.802 1.536 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.443 11.453 0.957 1.00 0.00 O ATOM 0 H GLU A 51 1.493 7.347 3.094 1.00 0.00 H new ATOM 0 HA GLU A 51 0.546 9.721 4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.470 9.115 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.246 10.355 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.790 11.438 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.024 10.310 3.169 1.00 0.00 H new ATOM 781 N ILE A 52 -1.838 9.788 3.485 1.00 0.00 N ATOM 782 CA ILE A 52 -3.268 9.613 3.267 1.00 0.00 C ATOM 783 C ILE A 52 -3.601 9.612 1.779 1.00 0.00 C ATOM 784 O ILE A 52 -3.946 8.577 1.209 1.00 0.00 O ATOM 785 CB ILE A 52 -4.083 10.718 3.964 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.784 10.734 5.464 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.571 10.514 3.717 1.00 0.00 C ATOM 788 CD1 ILE A 52 -2.664 11.675 5.847 1.00 0.00 C ATOM 0 H ILE A 52 -1.556 10.749 3.679 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.537 8.649 3.697 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.793 11.682 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.687 11.019 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.526 9.725 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.134 11.303 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.770 10.548 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.876 9.545 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.507 11.634 6.925 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.748 11.378 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.928 12.692 5.557 1.00 0.00 H new ATOM 800 N HIS A 53 -3.493 10.781 1.154 1.00 0.00 N ATOM 801 CA HIS A 53 -3.781 10.915 -0.270 1.00 0.00 C ATOM 802 C HIS A 53 -2.826 10.063 -1.100 1.00 0.00 C ATOM 803 O HIS A 53 -3.237 9.403 -2.054 1.00 0.00 O ATOM 804 CB HIS A 53 -3.678 12.380 -0.696 1.00 0.00 C ATOM 805 CG HIS A 53 -4.120 13.344 0.361 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.424 13.432 0.801 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.423 14.264 1.067 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.510 14.366 1.732 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.309 14.886 1.912 1.00 0.00 N ATOM 0 H HIS A 53 -3.209 11.648 1.611 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.798 10.564 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.645 12.599 -0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.282 12.533 -1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.366 14.471 0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.409 14.655 2.256 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.077 15.629 2.571 1.00 0.00 H new ATOM 818 N TRP A 54 -1.550 10.082 -0.730 1.00 0.00 N ATOM 819 CA TRP A 54 -0.537 9.311 -1.441 1.00 0.00 C ATOM 820 C TRP A 54 -0.275 7.981 -0.743 1.00 0.00 C ATOM 821 O TRP A 54 0.151 7.949 0.411 1.00 0.00 O ATOM 822 CB TRP A 54 0.763 10.111 -1.545 1.00 0.00 C ATOM 823 CG TRP A 54 0.582 11.459 -2.174 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.622 12.670 -1.545 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.329 11.732 -3.557 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.411 13.680 -2.452 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.229 13.131 -3.694 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.180 10.932 -4.693 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.014 13.743 -4.921 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.061 11.541 -5.910 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.156 12.935 -6.016 1.00 0.00 C ATOM 0 H TRP A 54 -1.193 10.623 0.058 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.911 9.106 -2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.184 10.237 -0.548 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.487 9.541 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.794 12.813 -0.488 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.393 14.677 -2.236 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.252 9.857 -4.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.088 14.817 -5.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.178 10.932 -6.794 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.345 13.381 -6.981 1.00 0.00 H new ATOM 842 N TRP A 55 -0.532 6.887 -1.450 1.00 0.00 N ATOM 843 CA TRP A 55 -0.324 5.553 -0.897 1.00 0.00 C ATOM 844 C TRP A 55 0.798 4.828 -1.632 1.00 0.00 C ATOM 845 O TRP A 55 0.900 4.903 -2.856 1.00 0.00 O ATOM 846 CB TRP A 55 -1.614 4.737 -0.979 1.00 0.00 C ATOM 847 CG TRP A 55 -2.505 4.913 0.214 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.357 5.824 1.221 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.680 4.156 0.525 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.369 5.679 2.138 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.195 4.664 1.734 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.350 3.102 -0.102 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.345 4.150 2.327 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.491 2.593 0.488 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.980 3.118 1.692 1.00 0.00 C ATOM 0 H TRP A 55 -0.885 6.897 -2.407 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.037 5.662 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.161 5.024 -1.877 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.362 3.682 -1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.561 6.551 1.286 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.487 6.237 2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.982 2.693 -1.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.722 4.552 3.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.015 1.777 0.013 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.876 2.700 2.127 1.00 0.00 H new ATOM 866 N ARG A 56 1.638 4.128 -0.877 1.00 0.00 N ATOM 867 CA ARG A 56 2.754 3.390 -1.458 1.00 0.00 C ATOM 868 C ARG A 56 2.314 1.997 -1.898 1.00 0.00 C ATOM 869 O ARG A 56 1.807 1.212 -1.097 1.00 0.00 O ATOM 870 CB ARG A 56 3.900 3.280 -0.451 1.00 0.00 C ATOM 871 CG ARG A 56 5.220 2.857 -1.074 1.00 0.00 C ATOM 872 CD ARG A 56 6.361 2.937 -0.071 1.00 0.00 C ATOM 873 NE ARG A 56 6.509 1.700 0.689 1.00 0.00 N ATOM 874 CZ ARG A 56 7.637 1.337 1.290 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.709 2.114 1.219 1.00 0.00 N ATOM 876 NH2 ARG A 56 7.694 0.195 1.964 1.00 0.00 N ATOM 0 H ARG A 56 1.567 4.056 0.138 1.00 0.00 H new ATOM 0 HA ARG A 56 3.101 3.937 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.033 4.243 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.626 2.562 0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.136 1.837 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.441 3.495 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.291 3.153 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.183 3.765 0.615 1.00 0.00 H new ATOM 0 HE ARG A 56 5.702 1.080 0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.669 2.992 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.574 1.833 1.681 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.871 -0.405 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.561 -0.082 2.425 1.00 0.00 H new ATOM 890 N VAL A 57 2.511 1.697 -3.178 1.00 0.00 N ATOM 891 CA VAL A 57 2.135 0.399 -3.726 1.00 0.00 C ATOM 892 C VAL A 57 3.148 -0.074 -4.763 1.00 0.00 C ATOM 893 O VAL A 57 3.963 0.709 -5.250 1.00 0.00 O ATOM 894 CB VAL A 57 0.738 0.446 -4.373 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.293 0.958 -3.380 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.760 1.309 -5.625 1.00 0.00 C ATOM 0 H VAL A 57 2.929 2.335 -3.855 1.00 0.00 H new ATOM 0 HA VAL A 57 2.118 -0.303 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 57 0.456 -0.566 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.274 0.984 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.326 0.295 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.019 1.962 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.235 1.331 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.063 2.323 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.468 0.893 -6.342 1.00 0.00 H new ATOM 906 N GLN A 58 3.090 -1.360 -5.095 1.00 0.00 N ATOM 907 CA GLN A 58 4.003 -1.937 -6.074 1.00 0.00 C ATOM 908 C GLN A 58 3.234 -2.656 -7.178 1.00 0.00 C ATOM 909 O GLN A 58 2.224 -3.310 -6.919 1.00 0.00 O ATOM 910 CB GLN A 58 4.968 -2.909 -5.392 1.00 0.00 C ATOM 911 CG GLN A 58 5.907 -3.612 -6.359 1.00 0.00 C ATOM 912 CD GLN A 58 6.933 -4.476 -5.652 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.700 -5.659 -5.404 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.077 -3.887 -5.322 1.00 0.00 N ATOM 0 H GLN A 58 2.421 -2.021 -4.701 1.00 0.00 H new ATOM 0 HA GLN A 58 4.574 -1.125 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.559 -2.365 -4.656 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.392 -3.658 -4.848 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.324 -4.231 -7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.421 -2.867 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.228 -2.904 -5.547 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.805 -4.418 -4.844 1.00 0.00 H new ATOM 923 N ASP A 59 3.718 -2.529 -8.408 1.00 0.00 N ATOM 924 CA ASP A 59 3.077 -3.167 -9.552 1.00 0.00 C ATOM 925 C ASP A 59 3.367 -4.665 -9.572 1.00 0.00 C ATOM 926 O ASP A 59 4.183 -5.159 -8.795 1.00 0.00 O ATOM 927 CB ASP A 59 3.554 -2.525 -10.855 1.00 0.00 C ATOM 928 CG ASP A 59 2.654 -2.858 -12.029 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.460 -3.143 -11.798 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.143 -2.836 -13.178 1.00 0.00 O ATOM 0 H ASP A 59 4.553 -1.990 -8.639 1.00 0.00 H new ATOM 0 HA ASP A 59 2.000 -3.025 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.596 -1.443 -10.729 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.568 -2.861 -11.072 1.00 0.00 H new ATOM 935 N ARG A 60 2.691 -5.381 -10.465 1.00 0.00 N ATOM 936 CA ARG A 60 2.875 -6.822 -10.584 1.00 0.00 C ATOM 937 C ARG A 60 4.271 -7.151 -11.104 1.00 0.00 C ATOM 938 O ARG A 60 4.881 -8.137 -10.692 1.00 0.00 O ATOM 939 CB ARG A 60 1.819 -7.417 -11.518 1.00 0.00 C ATOM 940 CG ARG A 60 2.096 -8.858 -11.912 1.00 0.00 C ATOM 941 CD ARG A 60 0.852 -9.531 -12.472 1.00 0.00 C ATOM 942 NE ARG A 60 1.122 -10.897 -12.915 1.00 0.00 N ATOM 943 CZ ARG A 60 1.356 -11.906 -12.083 1.00 0.00 C ATOM 944 NH1 ARG A 60 1.354 -11.704 -10.773 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.593 -13.121 -12.563 1.00 0.00 N ATOM 0 H ARG A 60 2.012 -4.987 -11.116 1.00 0.00 H new ATOM 0 HA ARG A 60 2.762 -7.260 -9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.845 -7.363 -11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.759 -6.808 -12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.892 -8.886 -12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.451 -9.412 -11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.073 -9.544 -11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.469 -8.947 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 60 1.131 -11.086 -13.917 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.172 -10.772 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.534 -12.481 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.595 -13.280 -13.571 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.773 -13.896 -11.924 1.00 0.00 H new ATOM 959 N ASN A 61 4.771 -6.319 -12.011 1.00 0.00 N ATOM 960 CA ASN A 61 6.095 -6.522 -12.588 1.00 0.00 C ATOM 961 C ASN A 61 7.186 -6.217 -11.565 1.00 0.00 C ATOM 962 O ASN A 61 8.075 -7.034 -11.329 1.00 0.00 O ATOM 963 CB ASN A 61 6.277 -5.638 -13.823 1.00 0.00 C ATOM 964 CG ASN A 61 5.374 -6.052 -14.968 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.157 -5.874 -14.909 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.967 -6.607 -16.019 1.00 0.00 N ATOM 0 H ASN A 61 4.279 -5.497 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 61 6.179 -7.568 -12.883 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.071 -4.601 -13.558 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.316 -5.683 -14.149 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.410 -6.905 -16.820 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.979 -6.735 -16.025 1.00 0.00 H new ATOM 973 N GLY A 62 7.111 -5.035 -10.962 1.00 0.00 N ATOM 974 CA GLY A 62 8.097 -4.644 -9.972 1.00 0.00 C ATOM 975 C GLY A 62 8.332 -3.146 -9.947 1.00 0.00 C ATOM 976 O GLY A 62 9.457 -2.690 -9.740 1.00 0.00 O ATOM 0 H GLY A 62 6.385 -4.341 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.768 -4.973 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.038 -5.153 -10.181 1.00 0.00 H new ATOM 980 N HIS A 63 7.268 -2.379 -10.162 1.00 0.00 N ATOM 981 CA HIS A 63 7.364 -0.923 -10.165 1.00 0.00 C ATOM 982 C HIS A 63 6.497 -0.319 -9.064 1.00 0.00 C ATOM 983 O HIS A 63 5.269 -0.373 -9.129 1.00 0.00 O ATOM 984 CB HIS A 63 6.942 -0.366 -11.525 1.00 0.00 C ATOM 985 CG HIS A 63 7.398 -1.201 -12.682 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.748 -1.222 -13.898 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.448 -2.047 -12.804 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.377 -2.046 -14.717 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.412 -2.560 -14.077 1.00 0.00 N ATOM 0 H HIS A 63 6.330 -2.741 -10.336 1.00 0.00 H new ATOM 0 HA HIS A 63 8.403 -0.652 -9.976 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.856 -0.283 -11.553 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.341 0.642 -11.635 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.178 -2.276 -12.042 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.093 -2.263 -15.736 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.076 -3.229 -14.465 1.00 0.00 H new ATOM 998 N GLU A 64 7.145 0.254 -8.055 1.00 0.00 N ATOM 999 CA GLU A 64 6.432 0.866 -6.940 1.00 0.00 C ATOM 1000 C GLU A 64 6.617 2.380 -6.941 1.00 0.00 C ATOM 1001 O GLU A 64 7.368 2.924 -7.749 1.00 0.00 O ATOM 1002 CB GLU A 64 6.920 0.282 -5.612 1.00 0.00 C ATOM 1003 CG GLU A 64 8.430 0.318 -5.449 1.00 0.00 C ATOM 1004 CD GLU A 64 8.960 1.723 -5.234 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.032 2.158 -4.066 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.303 2.386 -6.235 1.00 0.00 O ATOM 0 H GLU A 64 8.161 0.307 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 64 5.371 0.647 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.461 0.834 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.579 -0.750 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.715 -0.307 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.898 -0.111 -6.335 1.00 0.00 H new ATOM 1013 N GLY A 65 5.925 3.056 -6.028 1.00 0.00 N ATOM 1014 CA GLY A 65 6.026 4.501 -5.941 1.00 0.00 C ATOM 1015 C GLY A 65 4.864 5.119 -5.191 1.00 0.00 C ATOM 1016 O GLY A 65 4.086 4.414 -4.548 1.00 0.00 O ATOM 0 H GLY A 65 5.297 2.629 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.958 4.768 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.070 4.920 -6.946 1.00 0.00 H new ATOM 1020 N TYR A 66 4.745 6.440 -5.271 1.00 0.00 N ATOM 1021 CA TYR A 66 3.671 7.154 -4.590 1.00 0.00 C ATOM 1022 C TYR A 66 2.526 7.459 -5.551 1.00 0.00 C ATOM 1023 O TYR A 66 2.675 8.249 -6.483 1.00 0.00 O ATOM 1024 CB TYR A 66 4.200 8.453 -3.980 1.00 0.00 C ATOM 1025 CG TYR A 66 5.138 8.236 -2.814 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.683 7.677 -1.626 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.478 8.592 -2.900 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.536 7.478 -0.558 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.339 8.395 -1.837 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.863 7.838 -0.669 1.00 0.00 C ATOM 1031 OH TYR A 66 7.716 7.642 0.393 1.00 0.00 O ATOM 0 H TYR A 66 5.379 7.038 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 66 3.292 6.515 -3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.718 9.022 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.357 9.059 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.645 7.393 -1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.853 9.030 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.166 7.043 0.359 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.379 8.676 -1.921 1.00 0.00 H new ATOM 0 HH TYR A 66 8.615 7.948 0.151 1.00 0.00 H new ATOM 1041 N VAL A 67 1.380 6.827 -5.316 1.00 0.00 N ATOM 1042 CA VAL A 67 0.207 7.031 -6.158 1.00 0.00 C ATOM 1043 C VAL A 67 -0.974 7.540 -5.340 1.00 0.00 C ATOM 1044 O VAL A 67 -1.079 7.298 -4.137 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.201 5.731 -6.876 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.802 5.385 -7.966 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.332 4.590 -5.878 1.00 0.00 C ATOM 0 H VAL A 67 1.239 6.169 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 67 0.478 7.779 -6.903 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.172 5.885 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.497 4.464 -8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.840 6.194 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.788 5.249 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.621 3.679 -6.403 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.623 4.433 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.093 4.839 -5.138 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.888 8.262 -6.006 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.080 8.819 -5.361 1.00 0.00 C ATOM 1059 C PRO A 68 -4.081 7.740 -4.961 1.00 0.00 C ATOM 1060 O PRO A 68 -4.778 7.182 -5.808 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.676 9.727 -6.440 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.191 9.155 -7.727 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.827 8.589 -7.441 1.00 0.00 C ATOM 0 HA PRO A 68 -2.836 9.338 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.765 9.733 -6.395 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.346 10.758 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.867 8.380 -8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.141 9.921 -8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.623 7.706 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.039 9.311 -7.656 1.00 0.00 H new ATOM 1071 N SER A 69 -4.147 7.452 -3.665 1.00 0.00 N ATOM 1072 CA SER A 69 -5.061 6.437 -3.154 1.00 0.00 C ATOM 1073 C SER A 69 -6.395 6.486 -3.891 1.00 0.00 C ATOM 1074 O SER A 69 -6.928 5.455 -4.303 1.00 0.00 O ATOM 1075 CB SER A 69 -5.287 6.634 -1.653 1.00 0.00 C ATOM 1076 OG SER A 69 -5.992 7.836 -1.397 1.00 0.00 O ATOM 0 H SER A 69 -3.579 7.907 -2.950 1.00 0.00 H new ATOM 0 HA SER A 69 -4.609 5.459 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.846 5.788 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.327 6.655 -1.137 1.00 0.00 H new ATOM 0 HG SER A 69 -5.386 8.599 -1.501 1.00 0.00 H new ATOM 1082 N SER A 70 -6.930 7.692 -4.055 1.00 0.00 N ATOM 1083 CA SER A 70 -8.204 7.877 -4.740 1.00 0.00 C ATOM 1084 C SER A 70 -8.353 6.883 -5.888 1.00 0.00 C ATOM 1085 O SER A 70 -9.367 6.193 -5.999 1.00 0.00 O ATOM 1086 CB SER A 70 -8.320 9.307 -5.270 1.00 0.00 C ATOM 1087 OG SER A 70 -7.231 9.625 -6.119 1.00 0.00 O ATOM 0 H SER A 70 -6.501 8.556 -3.723 1.00 0.00 H new ATOM 0 HA SER A 70 -9.004 7.698 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.256 9.421 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.351 10.007 -4.435 1.00 0.00 H new ATOM 0 HG SER A 70 -7.329 10.544 -6.446 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.336 6.816 -6.739 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.353 5.910 -7.881 1.00 0.00 C ATOM 1095 C TYR A 71 -7.417 4.456 -7.422 1.00 0.00 C ATOM 1096 O TYR A 71 -8.127 3.638 -8.008 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.114 6.128 -8.751 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.220 7.326 -9.667 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.677 8.549 -9.192 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.864 7.235 -11.007 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.776 9.647 -10.025 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.959 8.327 -11.847 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.416 9.531 -11.352 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.513 10.621 -12.186 1.00 0.00 O ATOM 0 H TYR A 71 -6.489 7.379 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.244 6.126 -8.470 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.244 6.251 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.941 5.236 -9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.960 8.643 -8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.507 6.294 -11.398 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.133 10.591 -9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.677 8.239 -12.886 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.220 10.371 -13.087 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.670 4.143 -6.369 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.641 2.788 -5.828 1.00 0.00 C ATOM 1116 C LEU A 72 -7.948 2.457 -5.116 1.00 0.00 C ATOM 1117 O LEU A 72 -8.549 3.315 -4.468 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.466 2.629 -4.861 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.076 2.875 -5.448 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.018 2.823 -4.356 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.769 1.858 -6.538 1.00 0.00 C ATOM 0 H LEU A 72 -6.077 4.808 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.516 2.094 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.613 3.315 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.492 1.619 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.062 3.870 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.035 3.000 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.227 3.590 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.033 1.842 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.776 2.049 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.802 0.853 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.509 1.943 -7.334 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.383 1.208 -5.239 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.618 0.762 -4.604 1.00 0.00 C ATOM 1135 C VAL A 73 -9.412 -0.554 -3.863 1.00 0.00 C ATOM 1136 O VAL A 73 -8.696 -1.437 -4.335 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.748 0.585 -5.636 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.898 1.839 -6.484 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.484 -0.631 -6.511 1.00 0.00 C ATOM 0 H VAL A 73 -7.899 0.486 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.904 1.536 -3.892 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.684 0.423 -5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.701 1.695 -7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.136 2.687 -5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.965 2.035 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.292 -0.741 -7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.539 -0.501 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.431 -1.523 -5.887 1.00 0.00 H new ATOM 1149 N GLU A 74 -10.043 -0.677 -2.700 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.928 -1.887 -1.893 1.00 0.00 C ATOM 1151 C GLU A 74 -10.694 -3.042 -2.532 1.00 0.00 C ATOM 1152 O GLU A 74 -11.922 -3.098 -2.469 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.451 -1.634 -0.478 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.828 -2.539 0.572 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.704 -2.696 1.800 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.218 -1.672 2.297 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.874 -3.843 2.265 1.00 0.00 O ATOM 0 H GLU A 74 -10.639 0.045 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.874 -2.159 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.260 -0.595 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.532 -1.772 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.641 -3.520 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.861 -2.133 0.869 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.959 -3.963 -3.146 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.566 -5.118 -3.796 1.00 0.00 C ATOM 1166 C LYS A 75 -11.738 -5.650 -2.977 1.00 0.00 C ATOM 1167 O LYS A 75 -11.562 -6.097 -1.844 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.526 -6.222 -3.995 1.00 0.00 C ATOM 1169 CG LYS A 75 -9.888 -7.209 -5.092 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.652 -7.871 -5.677 1.00 0.00 C ATOM 1171 CE LYS A 75 -8.060 -8.893 -4.719 1.00 0.00 C ATOM 1172 NZ LYS A 75 -6.614 -9.129 -4.983 1.00 0.00 N ATOM 0 H LYS A 75 -8.941 -3.932 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.940 -4.801 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.565 -5.766 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.400 -6.764 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.555 -7.972 -4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.433 -6.693 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.910 -8.359 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.905 -7.111 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.190 -8.547 -3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.604 -9.833 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.118 -9.285 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.504 -9.967 -5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.209 -8.300 -5.462 1.00 0.00 H new ATOM 1186 N SER A 76 -12.932 -5.600 -3.558 1.00 0.00 N ATOM 1187 CA SER A 76 -14.133 -6.075 -2.881 1.00 0.00 C ATOM 1188 C SER A 76 -14.772 -7.226 -3.651 1.00 0.00 C ATOM 1189 O SER A 76 -14.785 -7.252 -4.882 1.00 0.00 O ATOM 1190 CB SER A 76 -15.139 -4.933 -2.720 1.00 0.00 C ATOM 1191 OG SER A 76 -16.277 -5.356 -1.990 1.00 0.00 O ATOM 0 H SER A 76 -13.094 -5.235 -4.497 1.00 0.00 H new ATOM 0 HA SER A 76 -13.844 -6.437 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.665 -4.096 -2.208 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.446 -4.573 -3.702 1.00 0.00 H new ATOM 0 HG SER A 76 -16.904 -4.608 -1.899 1.00 0.00 H new ATOM 1197 N PRO A 77 -15.314 -8.204 -2.910 1.00 0.00 N ATOM 1198 CA PRO A 77 -15.965 -9.376 -3.501 1.00 0.00 C ATOM 1199 C PRO A 77 -17.285 -9.026 -4.181 1.00 0.00 C ATOM 1200 O PRO A 77 -17.893 -9.864 -4.845 1.00 0.00 O ATOM 1201 CB PRO A 77 -16.210 -10.290 -2.297 1.00 0.00 C ATOM 1202 CG PRO A 77 -16.278 -9.368 -1.129 1.00 0.00 C ATOM 1203 CD PRO A 77 -15.334 -8.239 -1.438 1.00 0.00 C ATOM 0 HA PRO A 77 -15.355 -9.830 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.136 -10.854 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -15.406 -11.017 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -17.293 -8.999 -0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.988 -9.879 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.684 -7.296 -1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.341 -8.421 -1.027 1.00 0.00 H new ATOM 1211 N ASN A 78 -17.720 -7.782 -4.010 1.00 0.00 N ATOM 1212 CA ASN A 78 -18.968 -7.321 -4.608 1.00 0.00 C ATOM 1213 C ASN A 78 -18.990 -7.602 -6.108 1.00 0.00 C ATOM 1214 O ASN A 78 -17.948 -7.825 -6.722 1.00 0.00 O ATOM 1215 CB ASN A 78 -19.156 -5.823 -4.356 1.00 0.00 C ATOM 1216 CG ASN A 78 -20.595 -5.382 -4.543 1.00 0.00 C ATOM 1217 OD1 ASN A 78 -21.527 -6.081 -4.146 1.00 0.00 O ATOM 1218 ND2 ASN A 78 -20.781 -4.215 -5.149 1.00 0.00 N ATOM 0 H ASN A 78 -17.228 -7.076 -3.463 1.00 0.00 H new ATOM 0 HA ASN A 78 -19.788 -7.867 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -18.835 -5.585 -3.342 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.515 -5.260 -5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -21.727 -3.865 -5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.978 -3.669 -5.462 1.00 0.00 H new ATOM 1225 N ASN A 79 -20.185 -7.589 -6.690 1.00 0.00 N ATOM 1226 CA ASN A 79 -20.342 -7.842 -8.117 1.00 0.00 C ATOM 1227 C ASN A 79 -19.813 -9.225 -8.486 1.00 0.00 C ATOM 1228 O ASN A 79 -19.126 -9.390 -9.494 1.00 0.00 O ATOM 1229 CB ASN A 79 -19.613 -6.771 -8.930 1.00 0.00 C ATOM 1230 CG ASN A 79 -20.143 -5.377 -8.657 1.00 0.00 C ATOM 1231 OD1 ASN A 79 -21.287 -5.208 -8.235 1.00 0.00 O ATOM 1232 ND2 ASN A 79 -19.312 -4.370 -8.898 1.00 0.00 N ATOM 0 H ASN A 79 -21.058 -7.406 -6.195 1.00 0.00 H new ATOM 0 HA ASN A 79 -21.406 -7.805 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -18.549 -6.804 -8.697 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -19.714 -6.994 -9.992 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -19.613 -3.410 -8.734 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -18.372 -4.557 -9.247 1.00 0.00 H new ATOM 1239 N LEU A 80 -20.138 -10.216 -7.663 1.00 0.00 N ATOM 1240 CA LEU A 80 -19.697 -11.585 -7.902 1.00 0.00 C ATOM 1241 C LEU A 80 -20.784 -12.393 -8.602 1.00 0.00 C ATOM 1242 O LEU A 80 -21.970 -12.082 -8.492 1.00 0.00 O ATOM 1243 CB LEU A 80 -19.317 -12.257 -6.581 1.00 0.00 C ATOM 1244 CG LEU A 80 -20.445 -12.424 -5.564 1.00 0.00 C ATOM 1245 CD1 LEU A 80 -21.210 -13.713 -5.820 1.00 0.00 C ATOM 1246 CD2 LEU A 80 -19.893 -12.402 -4.146 1.00 0.00 C ATOM 0 H LEU A 80 -20.706 -10.097 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.822 -11.551 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -18.906 -13.242 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -18.520 -11.676 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 80 -21.135 -11.588 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -22.009 -13.814 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -21.639 -13.689 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -20.531 -14.562 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -20.711 -12.522 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -19.180 -13.217 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -19.392 -11.451 -3.965 1.00 0.00 H new ATOM 1258 N GLU A 81 -20.371 -13.433 -9.321 1.00 0.00 N ATOM 1259 CA GLU A 81 -21.312 -14.287 -10.038 1.00 0.00 C ATOM 1260 C GLU A 81 -22.003 -13.514 -11.158 1.00 0.00 C ATOM 1261 O GLU A 81 -23.201 -13.674 -11.391 1.00 0.00 O ATOM 1262 CB GLU A 81 -22.356 -14.854 -9.075 1.00 0.00 C ATOM 1263 CG GLU A 81 -23.159 -16.006 -9.656 1.00 0.00 C ATOM 1264 CD GLU A 81 -24.089 -16.641 -8.641 1.00 0.00 C ATOM 1265 OE1 GLU A 81 -25.064 -15.977 -8.232 1.00 0.00 O ATOM 1266 OE2 GLU A 81 -23.841 -17.802 -8.255 1.00 0.00 O ATOM 0 H GLU A 81 -19.393 -13.704 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 81 -20.752 -15.111 -10.480 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -21.855 -15.193 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -23.040 -14.057 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.743 -15.646 -10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -22.475 -16.763 -10.040 1.00 0.00 H new ATOM 1273 N THR A 82 -21.238 -12.675 -11.849 1.00 0.00 N ATOM 1274 CA THR A 82 -21.775 -11.876 -12.943 1.00 0.00 C ATOM 1275 C THR A 82 -21.381 -12.458 -14.295 1.00 0.00 C ATOM 1276 O THR A 82 -21.307 -11.742 -15.293 1.00 0.00 O ATOM 1277 CB THR A 82 -21.289 -10.416 -12.864 1.00 0.00 C ATOM 1278 OG1 THR A 82 -21.163 -10.015 -11.495 1.00 0.00 O ATOM 1279 CG2 THR A 82 -22.253 -9.485 -13.584 1.00 0.00 C ATOM 0 H THR A 82 -20.244 -12.531 -11.670 1.00 0.00 H new ATOM 0 HA THR A 82 -22.860 -11.896 -12.845 1.00 0.00 H new ATOM 0 HB THR A 82 -20.316 -10.353 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 82 -20.214 -9.930 -11.265 1.00 0.00 H new ATOM 0 HG21 THR A 82 -21.889 -8.460 -13.515 1.00 0.00 H new ATOM 0 HG22 THR A 82 -22.324 -9.775 -14.632 1.00 0.00 H new ATOM 0 HG23 THR A 82 -23.238 -9.552 -13.121 1.00 0.00 H new ATOM 1287 N TYR A 83 -21.128 -13.762 -14.321 1.00 0.00 N ATOM 1288 CA TYR A 83 -20.738 -14.441 -15.551 1.00 0.00 C ATOM 1289 C TYR A 83 -21.855 -15.356 -16.045 1.00 0.00 C ATOM 1290 O TYR A 83 -21.912 -16.532 -15.688 1.00 0.00 O ATOM 1291 CB TYR A 83 -19.461 -15.252 -15.328 1.00 0.00 C ATOM 1292 CG TYR A 83 -18.256 -14.403 -14.989 1.00 0.00 C ATOM 1293 CD1 TYR A 83 -17.451 -13.873 -15.990 1.00 0.00 C ATOM 1294 CD2 TYR A 83 -17.922 -14.133 -13.668 1.00 0.00 C ATOM 1295 CE1 TYR A 83 -16.350 -13.098 -15.684 1.00 0.00 C ATOM 1296 CE2 TYR A 83 -16.823 -13.357 -13.353 1.00 0.00 C ATOM 1297 CZ TYR A 83 -16.040 -12.842 -14.365 1.00 0.00 C ATOM 1298 OH TYR A 83 -14.943 -12.070 -14.056 1.00 0.00 O ATOM 0 H TYR A 83 -21.186 -14.370 -13.504 1.00 0.00 H new ATOM 0 HA TYR A 83 -20.550 -13.683 -16.311 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -19.630 -15.966 -14.522 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -19.246 -15.830 -16.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -17.690 -14.071 -17.024 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -18.532 -14.537 -12.873 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -15.734 -12.694 -16.474 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.579 -13.155 -12.321 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.866 -11.985 -13.083 1.00 0.00 H new ATOM 1308 N GLU A 84 -22.740 -14.805 -16.870 1.00 0.00 N ATOM 1309 CA GLU A 84 -23.856 -15.571 -17.414 1.00 0.00 C ATOM 1310 C GLU A 84 -23.419 -16.376 -18.634 1.00 0.00 C ATOM 1311 O GLU A 84 -24.126 -16.430 -19.641 1.00 0.00 O ATOM 1312 CB GLU A 84 -25.008 -14.638 -17.791 1.00 0.00 C ATOM 1313 CG GLU A 84 -24.642 -13.616 -18.854 1.00 0.00 C ATOM 1314 CD GLU A 84 -24.014 -12.366 -18.270 1.00 0.00 C ATOM 1315 OE1 GLU A 84 -24.633 -11.754 -17.375 1.00 0.00 O ATOM 1316 OE2 GLU A 84 -22.903 -11.999 -18.708 1.00 0.00 O ATOM 0 H GLU A 84 -22.706 -13.833 -17.176 1.00 0.00 H new ATOM 0 HA GLU A 84 -24.197 -16.265 -16.645 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -25.847 -15.236 -18.148 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -25.347 -14.114 -16.897 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -23.950 -14.068 -19.564 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -25.537 -13.342 -19.412 1.00 0.00 H new ATOM 1323 N TRP A 85 -22.251 -17.000 -18.537 1.00 0.00 N ATOM 1324 CA TRP A 85 -21.719 -17.803 -19.633 1.00 0.00 C ATOM 1325 C TRP A 85 -21.610 -19.269 -19.230 1.00 0.00 C ATOM 1326 O TRP A 85 -21.936 -19.640 -18.103 1.00 0.00 O ATOM 1327 CB TRP A 85 -20.349 -17.275 -20.060 1.00 0.00 C ATOM 1328 CG TRP A 85 -19.784 -17.985 -21.253 1.00 0.00 C ATOM 1329 CD1 TRP A 85 -19.756 -17.529 -22.540 1.00 0.00 C ATOM 1330 CD2 TRP A 85 -19.169 -19.278 -21.269 1.00 0.00 C ATOM 1331 NE1 TRP A 85 -19.160 -18.461 -23.356 1.00 0.00 N ATOM 1332 CE2 TRP A 85 -18.791 -19.542 -22.600 1.00 0.00 C ATOM 1333 CE3 TRP A 85 -18.900 -20.237 -20.289 1.00 0.00 C ATOM 1334 CZ2 TRP A 85 -18.159 -20.726 -22.973 1.00 0.00 C ATOM 1335 CZ3 TRP A 85 -18.273 -21.411 -20.661 1.00 0.00 C ATOM 1336 CH2 TRP A 85 -17.908 -21.647 -21.993 1.00 0.00 C ATOM 0 H TRP A 85 -21.654 -16.966 -17.711 1.00 0.00 H new ATOM 0 HA TRP A 85 -22.408 -17.727 -20.474 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -20.431 -16.212 -20.284 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -19.654 -17.372 -19.226 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -20.145 -16.576 -22.868 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -19.016 -18.363 -24.361 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -19.177 -20.064 -19.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -17.877 -20.910 -23.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -18.061 -22.160 -19.912 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -17.419 -22.575 -22.251 1.00 0.00 H new TER 1347 TRP A 85