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 42:sc= 0.178 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0208 K(o=-0.021,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot 110:sc= 0.0112 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.898 K(o=-0.9,f=-11!) USER MOD Single : A 41 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.47) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.064) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.965 K(o=-0.97,f=0.43) USER MOD Single : A 63 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.52) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -135:sc= 0.341 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= 0.0298 (180deg=0.00127) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.3!) USER MOD Single : A 79 ASN : amide:sc= -0.0866 K(o=-0.087,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.673 -31.074 -37.382 1.00 0.00 N ATOM 2 CA GLY A 1 -13.442 -31.270 -35.963 1.00 0.00 C ATOM 3 C GLY A 1 -13.013 -29.995 -35.264 1.00 0.00 C ATOM 4 O GLY A 1 -13.733 -28.998 -35.280 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.964 -31.974 -37.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.423 -30.367 -37.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.797 -30.740 -37.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.353 -31.647 -35.498 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.675 -32.032 -35.825 1.00 0.00 H new ATOM 8 N SER A 2 -11.836 -30.028 -34.647 1.00 0.00 N ATOM 9 CA SER A 2 -11.314 -28.868 -33.934 1.00 0.00 C ATOM 10 C SER A 2 -11.032 -27.719 -34.898 1.00 0.00 C ATOM 11 O SER A 2 -10.450 -27.918 -35.964 1.00 0.00 O ATOM 12 CB SER A 2 -10.036 -29.239 -33.179 1.00 0.00 C ATOM 13 OG SER A 2 -9.486 -28.110 -32.523 1.00 0.00 O ATOM 0 H SER A 2 -11.226 -30.845 -34.627 1.00 0.00 H new ATOM 0 HA SER A 2 -12.069 -28.543 -33.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.255 -30.018 -32.448 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.305 -29.651 -33.875 1.00 0.00 H new ATOM 0 HG SER A 2 -8.671 -28.373 -32.046 1.00 0.00 H new ATOM 19 N SER A 3 -11.451 -26.517 -34.515 1.00 0.00 N ATOM 20 CA SER A 3 -11.248 -25.336 -35.346 1.00 0.00 C ATOM 21 C SER A 3 -11.437 -24.060 -34.532 1.00 0.00 C ATOM 22 O SER A 3 -12.044 -24.077 -33.462 1.00 0.00 O ATOM 23 CB SER A 3 -12.217 -25.347 -36.530 1.00 0.00 C ATOM 24 OG SER A 3 -11.852 -24.378 -37.497 1.00 0.00 O ATOM 0 H SER A 3 -11.933 -26.335 -33.635 1.00 0.00 H new ATOM 0 HA SER A 3 -10.225 -25.358 -35.722 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.226 -26.336 -36.987 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.229 -25.150 -36.177 1.00 0.00 H new ATOM 0 HG SER A 3 -12.486 -24.406 -38.244 1.00 0.00 H new ATOM 30 N GLY A 4 -10.911 -22.953 -35.048 1.00 0.00 N ATOM 31 CA GLY A 4 -11.031 -21.683 -34.356 1.00 0.00 C ATOM 32 C GLY A 4 -9.912 -21.458 -33.359 1.00 0.00 C ATOM 33 O GLY A 4 -8.792 -21.929 -33.555 1.00 0.00 O ATOM 0 H GLY A 4 -10.404 -22.913 -35.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.031 -20.874 -35.086 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.989 -21.645 -33.837 1.00 0.00 H new ATOM 37 N SER A 5 -10.214 -20.734 -32.286 1.00 0.00 N ATOM 38 CA SER A 5 -9.224 -20.442 -31.256 1.00 0.00 C ATOM 39 C SER A 5 -9.623 -21.071 -29.925 1.00 0.00 C ATOM 40 O SER A 5 -10.704 -20.804 -29.399 1.00 0.00 O ATOM 41 CB SER A 5 -9.059 -18.930 -31.091 1.00 0.00 C ATOM 42 OG SER A 5 -8.028 -18.628 -30.167 1.00 0.00 O ATOM 0 H SER A 5 -11.137 -20.339 -32.107 1.00 0.00 H new ATOM 0 HA SER A 5 -8.272 -20.871 -31.569 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.830 -18.478 -32.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.998 -18.494 -30.749 1.00 0.00 H new ATOM 0 HG SER A 5 -7.941 -17.656 -30.080 1.00 0.00 H new ATOM 48 N SER A 6 -8.743 -21.908 -29.385 1.00 0.00 N ATOM 49 CA SER A 6 -9.004 -22.578 -28.116 1.00 0.00 C ATOM 50 C SER A 6 -7.750 -22.605 -27.248 1.00 0.00 C ATOM 51 O SER A 6 -6.729 -23.176 -27.629 1.00 0.00 O ATOM 52 CB SER A 6 -9.499 -24.005 -28.362 1.00 0.00 C ATOM 53 OG SER A 6 -8.632 -24.701 -29.240 1.00 0.00 O ATOM 0 H SER A 6 -7.843 -22.138 -29.806 1.00 0.00 H new ATOM 0 HA SER A 6 -9.777 -22.018 -27.589 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.566 -24.538 -27.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.504 -23.977 -28.784 1.00 0.00 H new ATOM 0 HG SER A 6 -7.701 -24.498 -29.010 1.00 0.00 H new ATOM 59 N GLY A 7 -7.835 -21.982 -26.076 1.00 0.00 N ATOM 60 CA GLY A 7 -6.701 -21.946 -25.171 1.00 0.00 C ATOM 61 C GLY A 7 -6.863 -20.906 -24.080 1.00 0.00 C ATOM 62 O GLY A 7 -6.520 -19.739 -24.270 1.00 0.00 O ATOM 0 H GLY A 7 -8.669 -21.502 -25.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.572 -22.928 -24.716 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.794 -21.735 -25.738 1.00 0.00 H new ATOM 66 N GLU A 8 -7.390 -21.328 -22.935 1.00 0.00 N ATOM 67 CA GLU A 8 -7.600 -20.423 -21.811 1.00 0.00 C ATOM 68 C GLU A 8 -7.049 -21.023 -20.520 1.00 0.00 C ATOM 69 O GLU A 8 -7.269 -22.197 -20.225 1.00 0.00 O ATOM 70 CB GLU A 8 -9.089 -20.114 -21.648 1.00 0.00 C ATOM 71 CG GLU A 8 -9.366 -18.901 -20.775 1.00 0.00 C ATOM 72 CD GLU A 8 -8.681 -17.647 -21.283 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.583 -17.483 -22.517 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.243 -16.830 -20.446 1.00 0.00 O ATOM 0 H GLU A 8 -7.679 -22.291 -22.761 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.065 -19.496 -22.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.528 -19.951 -22.632 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.587 -20.983 -21.217 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.441 -18.729 -20.729 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.032 -19.106 -19.758 1.00 0.00 H new ATOM 81 N ASP A 9 -6.331 -20.207 -19.756 1.00 0.00 N ATOM 82 CA ASP A 9 -5.748 -20.655 -18.497 1.00 0.00 C ATOM 83 C ASP A 9 -6.832 -20.888 -17.449 1.00 0.00 C ATOM 84 O ASP A 9 -7.901 -20.282 -17.503 1.00 0.00 O ATOM 85 CB ASP A 9 -4.737 -19.628 -17.984 1.00 0.00 C ATOM 86 CG ASP A 9 -3.677 -19.294 -19.015 1.00 0.00 C ATOM 87 OD1 ASP A 9 -4.022 -18.671 -20.040 1.00 0.00 O ATOM 88 OD2 ASP A 9 -2.502 -19.655 -18.795 1.00 0.00 O ATOM 0 H ASP A 9 -6.139 -19.232 -19.987 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.234 -21.599 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.262 -18.716 -17.699 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.256 -20.013 -17.085 1.00 0.00 H new ATOM 93 N ASN A 10 -6.548 -21.771 -16.497 1.00 0.00 N ATOM 94 CA ASN A 10 -7.499 -22.085 -15.437 1.00 0.00 C ATOM 95 C ASN A 10 -7.674 -20.899 -14.494 1.00 0.00 C ATOM 96 O ASN A 10 -6.700 -20.256 -14.102 1.00 0.00 O ATOM 97 CB ASN A 10 -7.032 -23.312 -14.651 1.00 0.00 C ATOM 98 CG ASN A 10 -7.782 -23.481 -13.344 1.00 0.00 C ATOM 99 OD1 ASN A 10 -8.905 -23.984 -13.320 1.00 0.00 O ATOM 100 ND2 ASN A 10 -7.162 -23.060 -12.248 1.00 0.00 N ATOM 0 H ASN A 10 -5.667 -22.282 -16.438 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.462 -22.303 -15.900 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.167 -24.204 -15.262 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.965 -23.224 -14.446 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.617 -23.148 -11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.231 -22.649 -12.315 1.00 0.00 H new ATOM 107 N ARG A 11 -8.921 -20.616 -14.133 1.00 0.00 N ATOM 108 CA ARG A 11 -9.224 -19.507 -13.236 1.00 0.00 C ATOM 109 C ARG A 11 -8.599 -19.733 -11.862 1.00 0.00 C ATOM 110 O ARG A 11 -8.922 -20.701 -11.174 1.00 0.00 O ATOM 111 CB ARG A 11 -10.738 -19.335 -13.097 1.00 0.00 C ATOM 112 CG ARG A 11 -11.164 -17.903 -12.814 1.00 0.00 C ATOM 113 CD ARG A 11 -11.112 -17.591 -11.327 1.00 0.00 C ATOM 114 NE ARG A 11 -11.567 -16.233 -11.037 1.00 0.00 N ATOM 115 CZ ARG A 11 -12.830 -15.841 -11.153 1.00 0.00 C ATOM 116 NH1 ARG A 11 -13.760 -16.698 -11.551 1.00 0.00 N ATOM 117 NH2 ARG A 11 -13.166 -14.589 -10.871 1.00 0.00 N ATOM 0 H ARG A 11 -9.738 -21.139 -14.448 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.800 -18.599 -13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.220 -19.674 -14.014 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.096 -19.978 -12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.514 -17.215 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.176 -17.743 -13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.732 -18.305 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.091 -17.716 -10.966 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.876 -15.549 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.506 -17.661 -11.769 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.730 -16.394 -11.639 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.454 -13.926 -10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.137 -14.289 -10.961 1.00 0.00 H new ATOM 131 N ARG A 12 -7.703 -18.833 -11.471 1.00 0.00 N ATOM 132 CA ARG A 12 -7.032 -18.935 -10.181 1.00 0.00 C ATOM 133 C ARG A 12 -6.378 -17.609 -9.802 1.00 0.00 C ATOM 134 O ARG A 12 -5.809 -16.908 -10.639 1.00 0.00 O ATOM 135 CB ARG A 12 -5.978 -20.044 -10.216 1.00 0.00 C ATOM 136 CG ARG A 12 -5.756 -20.716 -8.871 1.00 0.00 C ATOM 137 CD ARG A 12 -4.965 -22.006 -9.017 1.00 0.00 C ATOM 138 NE ARG A 12 -5.836 -23.161 -9.225 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.393 -24.411 -9.301 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.097 -24.667 -9.185 1.00 0.00 N ATOM 141 NH2 ARG A 12 -6.247 -25.408 -9.492 1.00 0.00 N ATOM 0 H ARG A 12 -7.425 -18.025 -12.029 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.782 -19.179 -9.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.280 -20.797 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.034 -19.625 -10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.224 -20.035 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.719 -20.929 -8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.276 -21.916 -9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.360 -22.164 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.839 -22.998 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.438 -23.903 -9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.760 -25.628 -9.244 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.245 -25.215 -9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.906 -26.368 -9.550 1.00 0.00 H new ATOM 155 N PRO A 13 -6.460 -17.256 -8.511 1.00 0.00 N ATOM 156 CA PRO A 13 -5.882 -16.013 -7.992 1.00 0.00 C ATOM 157 C PRO A 13 -4.357 -16.039 -7.989 1.00 0.00 C ATOM 158 O PRO A 13 -3.745 -17.105 -7.913 1.00 0.00 O ATOM 159 CB PRO A 13 -6.418 -15.943 -6.560 1.00 0.00 C ATOM 160 CG PRO A 13 -6.694 -17.359 -6.189 1.00 0.00 C ATOM 161 CD PRO A 13 -7.123 -18.043 -7.458 1.00 0.00 C ATOM 0 HA PRO A 13 -6.150 -15.152 -8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.689 -15.492 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.322 -15.336 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -5.806 -17.833 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.474 -17.419 -5.430 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.809 -19.086 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.207 -18.035 -7.572 1.00 0.00 H new ATOM 169 N LEU A 14 -3.749 -14.861 -8.072 1.00 0.00 N ATOM 170 CA LEU A 14 -2.295 -14.749 -8.078 1.00 0.00 C ATOM 171 C LEU A 14 -1.781 -14.261 -6.727 1.00 0.00 C ATOM 172 O LEU A 14 -0.946 -14.912 -6.098 1.00 0.00 O ATOM 173 CB LEU A 14 -1.842 -13.795 -9.184 1.00 0.00 C ATOM 174 CG LEU A 14 -2.324 -14.127 -10.596 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.350 -12.875 -11.460 1.00 0.00 C ATOM 176 CD2 LEU A 14 -1.439 -15.193 -11.225 1.00 0.00 C ATOM 0 H LEU A 14 -4.241 -13.970 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.880 -15.739 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.183 -12.791 -8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.752 -13.769 -9.190 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.339 -14.519 -10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.696 -13.131 -12.461 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.026 -12.143 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.347 -12.453 -11.519 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.797 -15.417 -12.230 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.413 -14.829 -11.278 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.472 -16.098 -10.618 1.00 0.00 H new ATOM 188 N TRP A 15 -2.286 -13.114 -6.287 1.00 0.00 N ATOM 189 CA TRP A 15 -1.879 -12.541 -5.010 1.00 0.00 C ATOM 190 C TRP A 15 -2.461 -13.335 -3.846 1.00 0.00 C ATOM 191 O TRP A 15 -3.125 -14.351 -4.048 1.00 0.00 O ATOM 192 CB TRP A 15 -2.323 -11.080 -4.919 1.00 0.00 C ATOM 193 CG TRP A 15 -2.200 -10.340 -6.216 1.00 0.00 C ATOM 194 CD1 TRP A 15 -3.073 -10.376 -7.266 1.00 0.00 C ATOM 195 CD2 TRP A 15 -1.142 -9.456 -6.602 1.00 0.00 C ATOM 196 NE1 TRP A 15 -2.621 -9.567 -8.281 1.00 0.00 N ATOM 197 CE2 TRP A 15 -1.439 -8.990 -7.898 1.00 0.00 C ATOM 198 CE3 TRP A 15 0.026 -9.010 -5.978 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -0.609 -8.104 -8.579 1.00 0.00 C ATOM 200 CZ3 TRP A 15 0.849 -8.130 -6.655 1.00 0.00 C ATOM 201 CH2 TRP A 15 0.528 -7.684 -7.944 1.00 0.00 C ATOM 0 H TRP A 15 -2.978 -12.563 -6.796 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.792 -12.588 -4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.360 -11.043 -4.585 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.726 -10.573 -4.161 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -3.984 -10.955 -7.294 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.090 -9.420 -9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.281 -9.347 -4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -0.854 -7.760 -9.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.755 -7.780 -6.183 1.00 0.00 H new ATOM 0 HH2 TRP A 15 1.191 -6.995 -8.446 1.00 0.00 H new ATOM 212 N GLU A 16 -2.207 -12.866 -2.628 1.00 0.00 N ATOM 213 CA GLU A 16 -2.706 -13.535 -1.433 1.00 0.00 C ATOM 214 C GLU A 16 -3.818 -12.720 -0.778 1.00 0.00 C ATOM 215 O GLU A 16 -3.900 -11.501 -0.929 1.00 0.00 O ATOM 216 CB GLU A 16 -1.569 -13.761 -0.435 1.00 0.00 C ATOM 217 CG GLU A 16 -0.739 -14.999 -0.728 1.00 0.00 C ATOM 218 CD GLU A 16 0.282 -14.771 -1.825 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.640 -13.599 -2.068 1.00 0.00 O ATOM 220 OE2 GLU A 16 0.723 -15.763 -2.442 1.00 0.00 O ATOM 0 H GLU A 16 -1.659 -12.026 -2.443 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.114 -14.501 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.917 -12.888 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.988 -13.844 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.226 -15.311 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.401 -15.815 -1.017 1.00 0.00 H new ATOM 227 N PRO A 17 -4.695 -13.409 -0.033 1.00 0.00 N ATOM 228 CA PRO A 17 -5.818 -12.770 0.661 1.00 0.00 C ATOM 229 C PRO A 17 -5.360 -11.901 1.827 1.00 0.00 C ATOM 230 O PRO A 17 -5.755 -10.741 1.939 1.00 0.00 O ATOM 231 CB PRO A 17 -6.642 -13.956 1.169 1.00 0.00 C ATOM 232 CG PRO A 17 -5.663 -15.073 1.290 1.00 0.00 C ATOM 233 CD PRO A 17 -4.658 -14.864 0.191 1.00 0.00 C ATOM 0 HA PRO A 17 -6.372 -12.097 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.108 -13.732 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.445 -14.206 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.180 -15.064 2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.158 -16.039 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.664 -15.200 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.927 -15.416 -0.710 1.00 0.00 H new ATOM 241 N GLU A 18 -4.526 -12.470 2.691 1.00 0.00 N ATOM 242 CA GLU A 18 -4.016 -11.745 3.849 1.00 0.00 C ATOM 243 C GLU A 18 -3.466 -10.382 3.439 1.00 0.00 C ATOM 244 O GLU A 18 -3.705 -9.378 4.109 1.00 0.00 O ATOM 245 CB GLU A 18 -2.924 -12.558 4.548 1.00 0.00 C ATOM 246 CG GLU A 18 -2.701 -12.160 5.997 1.00 0.00 C ATOM 247 CD GLU A 18 -1.577 -12.940 6.650 1.00 0.00 C ATOM 248 OE1 GLU A 18 -0.519 -13.107 6.008 1.00 0.00 O ATOM 249 OE2 GLU A 18 -1.755 -13.383 7.804 1.00 0.00 O ATOM 0 H GLU A 18 -4.189 -13.430 2.611 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.844 -11.591 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.187 -13.615 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.989 -12.441 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.476 -11.095 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.622 -12.317 6.559 1.00 0.00 H new ATOM 256 N GLU A 19 -2.727 -10.357 2.334 1.00 0.00 N ATOM 257 CA GLU A 19 -2.142 -9.118 1.835 1.00 0.00 C ATOM 258 C GLU A 19 -3.222 -8.184 1.296 1.00 0.00 C ATOM 259 O GLU A 19 -4.273 -8.631 0.837 1.00 0.00 O ATOM 260 CB GLU A 19 -1.117 -9.417 0.739 1.00 0.00 C ATOM 261 CG GLU A 19 0.062 -10.247 1.218 1.00 0.00 C ATOM 262 CD GLU A 19 0.796 -10.929 0.079 1.00 0.00 C ATOM 263 OE1 GLU A 19 0.197 -11.084 -1.005 1.00 0.00 O ATOM 264 OE2 GLU A 19 1.969 -11.309 0.274 1.00 0.00 O ATOM 0 H GLU A 19 -2.519 -11.180 1.768 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.640 -8.623 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.613 -9.943 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.747 -8.476 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.757 -9.606 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.291 -11.001 1.921 1.00 0.00 H new ATOM 271 N THR A 20 -2.955 -6.883 1.355 1.00 0.00 N ATOM 272 CA THR A 20 -3.903 -5.886 0.876 1.00 0.00 C ATOM 273 C THR A 20 -3.641 -5.535 -0.584 1.00 0.00 C ATOM 274 O THR A 20 -2.600 -4.969 -0.920 1.00 0.00 O ATOM 275 CB THR A 20 -3.840 -4.599 1.720 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.960 -4.919 3.111 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.946 -3.634 1.320 1.00 0.00 C ATOM 0 H THR A 20 -2.089 -6.496 1.730 1.00 0.00 H new ATOM 0 HA THR A 20 -4.896 -6.325 0.969 1.00 0.00 H new ATOM 0 HB THR A 20 -2.878 -4.119 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.917 -4.096 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.881 -2.733 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.835 -3.369 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.916 -4.107 1.475 1.00 0.00 H new ATOM 285 N VAL A 21 -4.591 -5.875 -1.450 1.00 0.00 N ATOM 286 CA VAL A 21 -4.463 -5.594 -2.875 1.00 0.00 C ATOM 287 C VAL A 21 -5.500 -4.574 -3.329 1.00 0.00 C ATOM 288 O VAL A 21 -6.671 -4.655 -2.958 1.00 0.00 O ATOM 289 CB VAL A 21 -4.616 -6.875 -3.716 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.515 -6.556 -5.199 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.573 -7.905 -3.311 1.00 0.00 C ATOM 0 H VAL A 21 -5.458 -6.345 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.464 -5.185 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.603 -7.297 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.625 -7.474 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.304 -5.856 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.543 -6.109 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.696 -8.804 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.576 -7.495 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.699 -8.156 -2.258 1.00 0.00 H new ATOM 301 N VAL A 22 -5.063 -3.612 -4.136 1.00 0.00 N ATOM 302 CA VAL A 22 -5.954 -2.576 -4.644 1.00 0.00 C ATOM 303 C VAL A 22 -5.917 -2.516 -6.167 1.00 0.00 C ATOM 304 O VAL A 22 -5.058 -3.130 -6.801 1.00 0.00 O ATOM 305 CB VAL A 22 -5.585 -1.192 -4.078 1.00 0.00 C ATOM 306 CG1 VAL A 22 -6.043 -1.067 -2.632 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.088 -0.951 -4.194 1.00 0.00 C ATOM 0 H VAL A 22 -4.097 -3.529 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.961 -2.838 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.099 -0.430 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.774 -0.083 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.124 -1.193 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.559 -1.836 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.845 0.032 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.552 -1.717 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.793 -0.995 -5.242 1.00 0.00 H new ATOM 317 N ILE A 23 -6.853 -1.773 -6.747 1.00 0.00 N ATOM 318 CA ILE A 23 -6.925 -1.631 -8.196 1.00 0.00 C ATOM 319 C ILE A 23 -7.024 -0.165 -8.601 1.00 0.00 C ATOM 320 O ILE A 23 -7.582 0.655 -7.873 1.00 0.00 O ATOM 321 CB ILE A 23 -8.131 -2.394 -8.776 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.116 -3.850 -8.304 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.120 -2.325 -10.296 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.478 -4.509 -8.335 1.00 0.00 C ATOM 0 H ILE A 23 -7.572 -1.260 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.006 -2.056 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.046 -1.924 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.431 -4.420 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.725 -3.890 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.978 -2.869 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.173 -1.284 -10.613 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.201 -2.773 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.392 -5.539 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.161 -3.963 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.863 -4.501 -9.355 1.00 0.00 H new ATOM 336 N ALA A 24 -6.479 0.159 -9.770 1.00 0.00 N ATOM 337 CA ALA A 24 -6.508 1.526 -10.274 1.00 0.00 C ATOM 338 C ALA A 24 -7.718 1.753 -11.175 1.00 0.00 C ATOM 339 O ALA A 24 -7.872 1.091 -12.202 1.00 0.00 O ATOM 340 CB ALA A 24 -5.222 1.839 -11.025 1.00 0.00 C ATOM 0 H ALA A 24 -6.012 -0.507 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.591 2.200 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.257 2.863 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.371 1.726 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.115 1.152 -11.865 1.00 0.00 H new ATOM 346 N LEU A 25 -8.573 2.690 -10.783 1.00 0.00 N ATOM 347 CA LEU A 25 -9.770 3.004 -11.555 1.00 0.00 C ATOM 348 C LEU A 25 -9.404 3.616 -12.904 1.00 0.00 C ATOM 349 O LEU A 25 -10.022 3.312 -13.924 1.00 0.00 O ATOM 350 CB LEU A 25 -10.668 3.965 -10.773 1.00 0.00 C ATOM 351 CG LEU A 25 -11.093 3.502 -9.379 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.379 4.698 -8.484 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.311 2.595 -9.467 1.00 0.00 C ATOM 0 H LEU A 25 -8.460 3.246 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.311 2.075 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.148 4.918 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.566 4.151 -11.362 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.273 2.934 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.680 4.349 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.481 5.309 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.182 5.294 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.599 2.275 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.137 3.138 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.071 1.721 -10.072 1.00 0.00 H new ATOM 365 N TYR A 26 -8.394 4.479 -12.901 1.00 0.00 N ATOM 366 CA TYR A 26 -7.945 5.134 -14.124 1.00 0.00 C ATOM 367 C TYR A 26 -6.431 5.021 -14.278 1.00 0.00 C ATOM 368 O TYR A 26 -5.701 4.916 -13.292 1.00 0.00 O ATOM 369 CB TYR A 26 -8.359 6.606 -14.120 1.00 0.00 C ATOM 370 CG TYR A 26 -9.724 6.849 -13.516 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.869 6.816 -14.303 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.868 7.113 -12.160 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.118 7.039 -13.756 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.113 7.335 -11.604 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.235 7.297 -12.406 1.00 0.00 C ATOM 376 OH TYR A 26 -13.477 7.519 -11.856 1.00 0.00 O ATOM 0 H TYR A 26 -7.871 4.741 -12.066 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.417 4.633 -14.969 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.618 7.182 -13.566 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.352 6.980 -15.144 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.781 6.613 -15.360 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.992 7.145 -11.530 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.998 7.011 -14.382 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.208 7.537 -10.547 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.384 7.684 -10.895 1.00 0.00 H new ATOM 386 N ASP A 27 -5.967 5.043 -15.522 1.00 0.00 N ATOM 387 CA ASP A 27 -4.540 4.944 -15.808 1.00 0.00 C ATOM 388 C ASP A 27 -3.825 6.245 -15.458 1.00 0.00 C ATOM 389 O ASP A 27 -3.793 7.183 -16.256 1.00 0.00 O ATOM 390 CB ASP A 27 -4.316 4.606 -17.283 1.00 0.00 C ATOM 391 CG ASP A 27 -4.976 5.604 -18.213 1.00 0.00 C ATOM 392 OD1 ASP A 27 -4.332 6.620 -18.548 1.00 0.00 O ATOM 393 OD2 ASP A 27 -6.138 5.368 -18.606 1.00 0.00 O ATOM 0 H ASP A 27 -6.558 5.129 -16.349 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.126 4.145 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.246 4.576 -17.487 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.707 3.609 -17.488 1.00 0.00 H new ATOM 398 N TYR A 28 -3.253 6.296 -14.260 1.00 0.00 N ATOM 399 CA TYR A 28 -2.541 7.483 -13.802 1.00 0.00 C ATOM 400 C TYR A 28 -1.179 7.597 -14.480 1.00 0.00 C ATOM 401 O TYR A 28 -0.447 6.614 -14.594 1.00 0.00 O ATOM 402 CB TYR A 28 -2.366 7.444 -12.283 1.00 0.00 C ATOM 403 CG TYR A 28 -1.602 8.627 -11.731 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.151 9.904 -11.751 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.333 8.468 -11.189 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.456 10.987 -11.248 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.368 9.545 -10.683 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.197 10.803 -10.716 1.00 0.00 C ATOM 409 OH TYR A 28 0.497 11.879 -10.213 1.00 0.00 O ATOM 0 H TYR A 28 -3.269 5.529 -13.588 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.134 8.357 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.349 7.406 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.846 6.526 -12.009 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.137 10.052 -12.166 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.113 7.485 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.897 11.973 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.353 9.403 -10.264 1.00 0.00 H new ATOM 0 HH TYR A 28 1.366 11.579 -9.875 1.00 0.00 H new ATOM 419 N GLN A 29 -0.847 8.804 -14.927 1.00 0.00 N ATOM 420 CA GLN A 29 0.427 9.047 -15.593 1.00 0.00 C ATOM 421 C GLN A 29 1.277 10.034 -14.800 1.00 0.00 C ATOM 422 O GLN A 29 0.756 10.966 -14.187 1.00 0.00 O ATOM 423 CB GLN A 29 0.193 9.579 -17.008 1.00 0.00 C ATOM 424 CG GLN A 29 -0.001 8.485 -18.045 1.00 0.00 C ATOM 425 CD GLN A 29 -0.593 9.007 -19.340 1.00 0.00 C ATOM 426 OE1 GLN A 29 -1.041 10.152 -19.414 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.599 8.168 -20.369 1.00 0.00 N ATOM 0 H GLN A 29 -1.442 9.628 -14.840 1.00 0.00 H new ATOM 0 HA GLN A 29 0.964 8.100 -15.652 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.686 10.224 -17.004 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.042 10.198 -17.299 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.959 8.013 -18.253 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.654 7.714 -17.636 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.217 7.228 -20.263 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.985 8.463 -21.266 1.00 0.00 H new ATOM 436 N THR A 30 2.590 9.822 -14.814 1.00 0.00 N ATOM 437 CA THR A 30 3.512 10.692 -14.095 1.00 0.00 C ATOM 438 C THR A 30 4.951 10.452 -14.537 1.00 0.00 C ATOM 439 O THR A 30 5.477 9.349 -14.397 1.00 0.00 O ATOM 440 CB THR A 30 3.412 10.480 -12.573 1.00 0.00 C ATOM 441 OG1 THR A 30 4.378 11.296 -11.900 1.00 0.00 O ATOM 442 CG2 THR A 30 3.636 9.019 -12.214 1.00 0.00 C ATOM 0 H THR A 30 3.038 9.055 -15.316 1.00 0.00 H new ATOM 0 HA THR A 30 3.229 11.718 -14.331 1.00 0.00 H new ATOM 0 HB THR A 30 2.410 10.766 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.919 12.015 -11.418 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.561 8.894 -11.134 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.881 8.404 -12.704 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.627 8.710 -12.547 1.00 0.00 H new ATOM 450 N ASN A 31 5.583 11.493 -15.069 1.00 0.00 N ATOM 451 CA ASN A 31 6.963 11.395 -15.532 1.00 0.00 C ATOM 452 C ASN A 31 7.938 11.740 -14.410 1.00 0.00 C ATOM 453 O ASN A 31 8.931 12.433 -14.629 1.00 0.00 O ATOM 454 CB ASN A 31 7.190 12.326 -16.725 1.00 0.00 C ATOM 455 CG ASN A 31 8.258 11.806 -17.668 1.00 0.00 C ATOM 456 OD1 ASN A 31 9.393 12.285 -17.662 1.00 0.00 O ATOM 457 ND2 ASN A 31 7.899 10.822 -18.484 1.00 0.00 N ATOM 0 H ASN A 31 5.162 12.414 -15.190 1.00 0.00 H new ATOM 0 HA ASN A 31 7.144 10.366 -15.843 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.255 12.447 -17.271 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.478 13.313 -16.363 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.575 10.432 -19.141 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.947 10.456 -18.454 1.00 0.00 H new ATOM 464 N ASP A 32 7.647 11.251 -13.210 1.00 0.00 N ATOM 465 CA ASP A 32 8.499 11.505 -12.054 1.00 0.00 C ATOM 466 C ASP A 32 9.010 10.198 -11.457 1.00 0.00 C ATOM 467 O ASP A 32 8.329 9.172 -11.471 1.00 0.00 O ATOM 468 CB ASP A 32 7.733 12.299 -10.994 1.00 0.00 C ATOM 469 CG ASP A 32 7.869 13.797 -11.182 1.00 0.00 C ATOM 470 OD1 ASP A 32 8.844 14.227 -11.832 1.00 0.00 O ATOM 471 OD2 ASP A 32 7.001 14.540 -10.678 1.00 0.00 O ATOM 0 H ASP A 32 6.828 10.676 -13.012 1.00 0.00 H new ATOM 0 HA ASP A 32 9.356 12.090 -12.387 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.679 12.025 -11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.099 12.025 -10.004 1.00 0.00 H new ATOM 476 N PRO A 33 10.238 10.232 -10.920 1.00 0.00 N ATOM 477 CA PRO A 33 10.869 9.058 -10.309 1.00 0.00 C ATOM 478 C PRO A 33 10.200 8.659 -8.998 1.00 0.00 C ATOM 479 O PRO A 33 9.894 7.487 -8.780 1.00 0.00 O ATOM 480 CB PRO A 33 12.307 9.518 -10.057 1.00 0.00 C ATOM 481 CG PRO A 33 12.216 11.001 -9.943 1.00 0.00 C ATOM 482 CD PRO A 33 11.107 11.420 -10.868 1.00 0.00 C ATOM 0 HA PRO A 33 10.795 8.177 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.711 9.075 -9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.966 9.223 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.003 11.301 -8.917 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.158 11.473 -10.224 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.574 12.291 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.486 11.684 -11.855 1.00 0.00 H new ATOM 490 N GLN A 34 9.978 9.640 -8.129 1.00 0.00 N ATOM 491 CA GLN A 34 9.345 9.388 -6.839 1.00 0.00 C ATOM 492 C GLN A 34 7.857 9.103 -7.009 1.00 0.00 C ATOM 493 O GLN A 34 7.149 8.850 -6.034 1.00 0.00 O ATOM 494 CB GLN A 34 9.545 10.585 -5.908 1.00 0.00 C ATOM 495 CG GLN A 34 8.689 11.788 -6.272 1.00 0.00 C ATOM 496 CD GLN A 34 9.366 12.705 -7.271 1.00 0.00 C ATOM 497 OE1 GLN A 34 9.624 12.318 -8.411 1.00 0.00 O ATOM 498 NE2 GLN A 34 9.658 13.930 -6.848 1.00 0.00 N ATOM 0 H GLN A 34 10.227 10.615 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 34 9.815 8.510 -6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.316 10.282 -4.886 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.595 10.878 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.741 11.443 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.456 12.351 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.426 14.209 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.114 14.591 -7.477 1.00 0.00 H new ATOM 507 N GLU A 35 7.389 9.146 -8.253 1.00 0.00 N ATOM 508 CA GLU A 35 5.984 8.893 -8.548 1.00 0.00 C ATOM 509 C GLU A 35 5.833 7.715 -9.508 1.00 0.00 C ATOM 510 O GLU A 35 6.658 7.518 -10.401 1.00 0.00 O ATOM 511 CB GLU A 35 5.334 10.141 -9.149 1.00 0.00 C ATOM 512 CG GLU A 35 5.072 11.240 -8.133 1.00 0.00 C ATOM 513 CD GLU A 35 4.222 12.363 -8.694 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.738 13.138 -9.527 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.041 12.467 -8.301 1.00 0.00 O ATOM 0 H GLU A 35 7.962 9.353 -9.071 1.00 0.00 H new ATOM 0 HA GLU A 35 5.482 8.644 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.978 10.532 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.391 9.859 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.575 10.813 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.023 11.646 -7.790 1.00 0.00 H new ATOM 522 N LEU A 36 4.775 6.936 -9.316 1.00 0.00 N ATOM 523 CA LEU A 36 4.515 5.777 -10.163 1.00 0.00 C ATOM 524 C LEU A 36 3.233 5.967 -10.968 1.00 0.00 C ATOM 525 O LEU A 36 2.272 6.568 -10.489 1.00 0.00 O ATOM 526 CB LEU A 36 4.413 4.510 -9.312 1.00 0.00 C ATOM 527 CG LEU A 36 3.975 3.242 -10.045 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.178 2.529 -10.642 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.217 2.317 -9.104 1.00 0.00 C ATOM 0 H LEU A 36 4.083 7.085 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 36 5.347 5.673 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.385 4.324 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.710 4.697 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 36 3.307 3.527 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.847 1.629 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.679 3.191 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.871 2.256 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.913 1.420 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.861 2.039 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.333 2.829 -8.724 1.00 0.00 H new ATOM 541 N ALA A 37 3.226 5.449 -12.192 1.00 0.00 N ATOM 542 CA ALA A 37 2.061 5.558 -13.061 1.00 0.00 C ATOM 543 C ALA A 37 1.200 4.302 -12.985 1.00 0.00 C ATOM 544 O ALA A 37 1.547 3.264 -13.549 1.00 0.00 O ATOM 545 CB ALA A 37 2.496 5.816 -14.496 1.00 0.00 C ATOM 0 H ALA A 37 4.014 4.950 -12.604 1.00 0.00 H new ATOM 0 HA ALA A 37 1.460 6.400 -12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.616 5.895 -15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.063 6.746 -14.543 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.121 4.992 -14.840 1.00 0.00 H new ATOM 551 N LEU A 38 0.076 4.403 -12.283 1.00 0.00 N ATOM 552 CA LEU A 38 -0.835 3.274 -12.132 1.00 0.00 C ATOM 553 C LEU A 38 -1.338 2.795 -13.490 1.00 0.00 C ATOM 554 O LEU A 38 -1.224 3.504 -14.491 1.00 0.00 O ATOM 555 CB LEU A 38 -2.020 3.665 -11.246 1.00 0.00 C ATOM 556 CG LEU A 38 -1.731 3.772 -9.749 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.918 4.381 -9.018 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.390 2.406 -9.172 1.00 0.00 C ATOM 0 H LEU A 38 -0.226 5.255 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.288 2.458 -11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.405 4.625 -11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.814 2.932 -11.391 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.871 4.427 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.694 4.449 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.115 5.378 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.797 3.753 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.187 2.502 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.230 1.728 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.508 2.009 -9.675 1.00 0.00 H new ATOM 570 N ARG A 39 -1.895 1.589 -13.517 1.00 0.00 N ATOM 571 CA ARG A 39 -2.416 1.015 -14.752 1.00 0.00 C ATOM 572 C ARG A 39 -3.900 0.688 -14.616 1.00 0.00 C ATOM 573 O ARG A 39 -4.316 0.031 -13.661 1.00 0.00 O ATOM 574 CB ARG A 39 -1.636 -0.248 -15.122 1.00 0.00 C ATOM 575 CG ARG A 39 -1.877 -0.717 -16.547 1.00 0.00 C ATOM 576 CD ARG A 39 -1.158 0.168 -17.554 1.00 0.00 C ATOM 577 NE ARG A 39 -0.987 -0.496 -18.843 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.191 -1.543 -19.030 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.503 -2.043 -18.017 1.00 0.00 N ATOM 580 NH2 ARG A 39 -0.088 -2.093 -20.234 1.00 0.00 N ATOM 0 H ARG A 39 -1.997 0.990 -12.698 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.295 1.753 -15.545 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.571 -0.060 -14.986 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.909 -1.048 -14.434 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.534 -1.746 -16.655 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.947 -0.714 -16.756 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.722 1.090 -17.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.182 0.448 -17.158 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.507 -0.136 -19.643 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.427 -1.624 -17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.113 -2.847 -18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.620 -1.712 -21.016 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.523 -2.897 -20.377 1.00 0.00 H new ATOM 594 N ARG A 40 -4.694 1.151 -15.577 1.00 0.00 N ATOM 595 CA ARG A 40 -6.131 0.909 -15.563 1.00 0.00 C ATOM 596 C ARG A 40 -6.431 -0.586 -15.602 1.00 0.00 C ATOM 597 O ARG A 40 -5.908 -1.313 -16.445 1.00 0.00 O ATOM 598 CB ARG A 40 -6.798 1.605 -16.751 1.00 0.00 C ATOM 599 CG ARG A 40 -8.317 1.609 -16.680 1.00 0.00 C ATOM 600 CD ARG A 40 -8.928 2.320 -17.877 1.00 0.00 C ATOM 601 NE ARG A 40 -10.383 2.399 -17.782 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.174 2.668 -18.816 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.652 2.881 -20.016 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.489 2.722 -18.650 1.00 0.00 N ATOM 0 H ARG A 40 -4.366 1.696 -16.375 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.534 1.319 -14.637 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.442 2.634 -16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.487 1.112 -17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.683 0.583 -16.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.638 2.099 -15.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.514 3.326 -17.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.652 1.794 -18.791 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.816 2.239 -16.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.641 2.839 -20.147 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.261 3.087 -20.808 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.894 2.557 -17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.095 2.928 -19.444 1.00 0.00 H new ATOM 618 N ASN A 41 -7.277 -1.039 -14.682 1.00 0.00 N ATOM 619 CA ASN A 41 -7.647 -2.448 -14.610 1.00 0.00 C ATOM 620 C ASN A 41 -6.439 -3.309 -14.254 1.00 0.00 C ATOM 621 O ASN A 41 -6.139 -4.287 -14.938 1.00 0.00 O ATOM 622 CB ASN A 41 -8.241 -2.909 -15.943 1.00 0.00 C ATOM 623 CG ASN A 41 -9.422 -2.061 -16.373 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.198 -1.590 -15.541 1.00 0.00 O ATOM 625 ND2 ASN A 41 -9.564 -1.864 -17.678 1.00 0.00 N ATOM 0 H ASN A 41 -7.719 -0.451 -13.976 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.396 -2.562 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.471 -2.872 -16.713 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.556 -3.949 -15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.341 -1.303 -18.028 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.896 -2.274 -18.331 1.00 0.00 H new ATOM 632 N GLU A 42 -5.750 -2.938 -13.180 1.00 0.00 N ATOM 633 CA GLU A 42 -4.575 -3.677 -12.734 1.00 0.00 C ATOM 634 C GLU A 42 -4.477 -3.676 -11.211 1.00 0.00 C ATOM 635 O GLU A 42 -4.679 -2.647 -10.567 1.00 0.00 O ATOM 636 CB GLU A 42 -3.305 -3.073 -13.338 1.00 0.00 C ATOM 637 CG GLU A 42 -2.930 -3.667 -14.685 1.00 0.00 C ATOM 638 CD GLU A 42 -2.055 -4.898 -14.557 1.00 0.00 C ATOM 639 OE1 GLU A 42 -0.816 -4.742 -14.511 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.607 -6.016 -14.503 1.00 0.00 O ATOM 0 H GLU A 42 -5.985 -2.131 -12.603 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.676 -4.708 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.442 -1.997 -13.450 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.478 -3.218 -12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.838 -3.927 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.408 -2.915 -15.277 1.00 0.00 H new ATOM 647 N GLU A 43 -4.167 -4.837 -10.642 1.00 0.00 N ATOM 648 CA GLU A 43 -4.044 -4.970 -9.195 1.00 0.00 C ATOM 649 C GLU A 43 -2.702 -4.427 -8.711 1.00 0.00 C ATOM 650 O GLU A 43 -1.721 -4.413 -9.455 1.00 0.00 O ATOM 651 CB GLU A 43 -4.193 -6.435 -8.781 1.00 0.00 C ATOM 652 CG GLU A 43 -5.597 -6.982 -8.974 1.00 0.00 C ATOM 653 CD GLU A 43 -5.617 -8.488 -9.155 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.347 -9.207 -8.171 1.00 0.00 O ATOM 655 OE2 GLU A 43 -5.903 -8.946 -10.281 1.00 0.00 O ATOM 0 H GLU A 43 -3.997 -5.698 -11.161 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.840 -4.387 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.494 -7.040 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.913 -6.538 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.208 -6.715 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.051 -6.509 -9.845 1.00 0.00 H new ATOM 662 N TYR A 44 -2.668 -3.980 -7.461 1.00 0.00 N ATOM 663 CA TYR A 44 -1.449 -3.433 -6.877 1.00 0.00 C ATOM 664 C TYR A 44 -1.395 -3.702 -5.376 1.00 0.00 C ATOM 665 O TYR A 44 -2.335 -3.389 -4.645 1.00 0.00 O ATOM 666 CB TYR A 44 -1.363 -1.929 -7.141 1.00 0.00 C ATOM 667 CG TYR A 44 -1.090 -1.583 -8.588 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.111 -1.603 -9.531 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.187 -1.237 -9.011 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.867 -1.288 -10.854 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.439 -0.918 -10.332 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.590 -0.946 -11.249 1.00 0.00 C ATOM 673 OH TYR A 44 -0.342 -0.631 -12.565 1.00 0.00 O ATOM 0 H TYR A 44 -3.471 -3.986 -6.832 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.598 -3.927 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.298 -1.461 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.575 -1.504 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.112 -1.869 -9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.996 -1.217 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.671 -1.309 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.437 -0.648 -10.644 1.00 0.00 H new ATOM 0 HH TYR A 44 0.607 -0.412 -12.676 1.00 0.00 H new ATOM 683 N CYS A 45 -0.289 -4.282 -4.925 1.00 0.00 N ATOM 684 CA CYS A 45 -0.111 -4.594 -3.512 1.00 0.00 C ATOM 685 C CYS A 45 0.224 -3.336 -2.716 1.00 0.00 C ATOM 686 O CYS A 45 1.074 -2.541 -3.119 1.00 0.00 O ATOM 687 CB CYS A 45 0.996 -5.635 -3.333 1.00 0.00 C ATOM 688 SG CYS A 45 1.189 -6.222 -1.634 1.00 0.00 S ATOM 0 H CYS A 45 0.498 -4.546 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.048 -5.003 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.786 -6.488 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.941 -5.206 -3.668 1.00 0.00 H new ATOM 0 HG CYS A 45 2.146 -7.100 -1.584 1.00 0.00 H new ATOM 694 N LEU A 46 -0.451 -3.162 -1.585 1.00 0.00 N ATOM 695 CA LEU A 46 -0.227 -1.999 -0.732 1.00 0.00 C ATOM 696 C LEU A 46 0.997 -2.203 0.155 1.00 0.00 C ATOM 697 O LEU A 46 0.960 -2.972 1.116 1.00 0.00 O ATOM 698 CB LEU A 46 -1.460 -1.732 0.133 1.00 0.00 C ATOM 699 CG LEU A 46 -1.405 -0.481 1.011 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.541 0.773 0.161 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.493 -0.527 2.074 1.00 0.00 C ATOM 0 H LEU A 46 -1.157 -3.811 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.048 -1.136 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.328 -1.655 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.622 -2.597 0.777 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.437 -0.454 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.500 1.653 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.727 0.812 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.494 0.753 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.439 0.371 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.470 -0.579 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.351 -1.406 2.702 1.00 0.00 H new ATOM 713 N LEU A 47 2.080 -1.507 -0.172 1.00 0.00 N ATOM 714 CA LEU A 47 3.316 -1.609 0.596 1.00 0.00 C ATOM 715 C LEU A 47 3.145 -1.004 1.986 1.00 0.00 C ATOM 716 O LEU A 47 3.355 -1.675 2.996 1.00 0.00 O ATOM 717 CB LEU A 47 4.458 -0.906 -0.141 1.00 0.00 C ATOM 718 CG LEU A 47 4.776 -1.431 -1.541 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.744 -0.499 -2.253 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.346 -2.839 -1.466 1.00 0.00 C ATOM 0 H LEU A 47 2.127 -0.866 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 47 3.559 -2.666 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.216 0.154 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.359 -0.983 0.468 1.00 0.00 H new ATOM 0 HG LEU A 47 3.850 -1.466 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.959 -0.889 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.298 0.492 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.670 -0.431 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.566 -3.196 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.262 -2.830 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.619 -3.501 -0.997 1.00 0.00 H new ATOM 732 N ASP A 48 2.759 0.266 2.029 1.00 0.00 N ATOM 733 CA ASP A 48 2.555 0.961 3.295 1.00 0.00 C ATOM 734 C ASP A 48 1.605 2.142 3.120 1.00 0.00 C ATOM 735 O ASP A 48 1.682 2.872 2.132 1.00 0.00 O ATOM 736 CB ASP A 48 3.893 1.446 3.856 1.00 0.00 C ATOM 737 CG ASP A 48 3.788 1.890 5.302 1.00 0.00 C ATOM 738 OD1 ASP A 48 2.841 1.453 5.989 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.651 2.676 5.746 1.00 0.00 O ATOM 0 H ASP A 48 2.581 0.836 1.202 1.00 0.00 H new ATOM 0 HA ASP A 48 2.107 0.259 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.628 0.645 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.259 2.275 3.250 1.00 0.00 H new ATOM 744 N SER A 49 0.710 2.322 4.086 1.00 0.00 N ATOM 745 CA SER A 49 -0.259 3.411 4.036 1.00 0.00 C ATOM 746 C SER A 49 0.166 4.558 4.948 1.00 0.00 C ATOM 747 O SER A 49 -0.667 5.191 5.597 1.00 0.00 O ATOM 748 CB SER A 49 -1.645 2.907 4.442 1.00 0.00 C ATOM 749 OG SER A 49 -1.627 2.363 5.751 1.00 0.00 O ATOM 0 H SER A 49 0.636 1.728 4.912 1.00 0.00 H new ATOM 0 HA SER A 49 -0.301 3.781 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.362 3.727 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.981 2.149 3.734 1.00 0.00 H new ATOM 0 HG SER A 49 -2.525 2.050 5.987 1.00 0.00 H new ATOM 755 N SER A 50 1.468 4.819 4.993 1.00 0.00 N ATOM 756 CA SER A 50 2.006 5.886 5.828 1.00 0.00 C ATOM 757 C SER A 50 1.172 7.157 5.689 1.00 0.00 C ATOM 758 O SER A 50 0.794 7.774 6.684 1.00 0.00 O ATOM 759 CB SER A 50 3.461 6.173 5.452 1.00 0.00 C ATOM 760 OG SER A 50 3.604 6.330 4.051 1.00 0.00 O ATOM 0 H SER A 50 2.170 4.306 4.461 1.00 0.00 H new ATOM 0 HA SER A 50 1.965 5.557 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.799 7.077 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.097 5.357 5.796 1.00 0.00 H new ATOM 0 HG SER A 50 4.542 6.514 3.837 1.00 0.00 H new ATOM 766 N GLU A 51 0.891 7.539 4.448 1.00 0.00 N ATOM 767 CA GLU A 51 0.103 8.737 4.178 1.00 0.00 C ATOM 768 C GLU A 51 -1.324 8.371 3.780 1.00 0.00 C ATOM 769 O GLU A 51 -1.689 7.195 3.750 1.00 0.00 O ATOM 770 CB GLU A 51 0.757 9.566 3.071 1.00 0.00 C ATOM 771 CG GLU A 51 1.751 10.593 3.585 1.00 0.00 C ATOM 772 CD GLU A 51 1.077 11.761 4.279 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.460 11.542 5.342 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.167 12.892 3.759 1.00 0.00 O ATOM 0 H GLU A 51 1.196 7.038 3.614 1.00 0.00 H new ATOM 0 HA GLU A 51 0.066 9.330 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.266 8.895 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.021 10.078 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.440 10.111 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.347 10.965 2.752 1.00 0.00 H new ATOM 781 N ILE A 52 -2.126 9.386 3.476 1.00 0.00 N ATOM 782 CA ILE A 52 -3.512 9.171 3.079 1.00 0.00 C ATOM 783 C ILE A 52 -3.719 9.500 1.605 1.00 0.00 C ATOM 784 O ILE A 52 -4.293 8.708 0.856 1.00 0.00 O ATOM 785 CB ILE A 52 -4.477 10.024 3.924 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.345 9.666 5.406 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.910 9.826 3.452 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.136 10.576 6.320 1.00 0.00 C ATOM 0 H ILE A 52 -1.840 10.365 3.497 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.729 8.116 3.247 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.215 11.075 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.677 8.638 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.293 9.706 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.580 10.435 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.994 10.125 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.184 8.776 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.996 10.264 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.789 11.602 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.194 10.519 6.064 1.00 0.00 H new ATOM 800 N HIS A 53 -3.245 10.671 1.193 1.00 0.00 N ATOM 801 CA HIS A 53 -3.375 11.104 -0.194 1.00 0.00 C ATOM 802 C HIS A 53 -2.457 10.294 -1.104 1.00 0.00 C ATOM 803 O HIS A 53 -2.862 9.859 -2.182 1.00 0.00 O ATOM 804 CB HIS A 53 -3.053 12.593 -0.318 1.00 0.00 C ATOM 805 CG HIS A 53 -3.636 13.426 0.781 1.00 0.00 C ATOM 806 ND1 HIS A 53 -4.950 13.843 0.794 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.076 13.919 1.911 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.173 14.557 1.882 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.052 14.618 2.578 1.00 0.00 N ATOM 0 H HIS A 53 -2.767 11.337 1.800 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.406 10.937 -0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.971 12.723 -0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.425 12.958 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.052 13.787 2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.112 15.014 2.156 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.931 15.105 3.466 1.00 0.00 H new ATOM 818 N TRP A 54 -1.219 10.098 -0.664 1.00 0.00 N ATOM 819 CA TRP A 54 -0.243 9.342 -1.441 1.00 0.00 C ATOM 820 C TRP A 54 0.113 8.035 -0.741 1.00 0.00 C ATOM 821 O TRP A 54 0.635 8.039 0.374 1.00 0.00 O ATOM 822 CB TRP A 54 1.019 10.177 -1.663 1.00 0.00 C ATOM 823 CG TRP A 54 0.738 11.546 -2.203 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.824 12.728 -1.525 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.324 11.874 -3.534 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.488 13.771 -2.354 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.178 13.274 -3.592 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.064 11.122 -4.683 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.217 13.933 -4.753 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.329 11.778 -5.834 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.465 13.172 -5.863 1.00 0.00 C ATOM 0 H TRP A 54 -0.867 10.452 0.226 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.688 9.106 -2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.555 10.270 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.678 9.650 -2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.114 12.828 -0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.472 14.756 -2.090 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.168 10.047 -4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.324 15.007 -4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.535 11.206 -6.727 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.771 13.655 -6.779 1.00 0.00 H new ATOM 842 N TRP A 55 -0.170 6.919 -1.403 1.00 0.00 N ATOM 843 CA TRP A 55 0.122 5.604 -0.843 1.00 0.00 C ATOM 844 C TRP A 55 1.289 4.949 -1.572 1.00 0.00 C ATOM 845 O TRP A 55 1.602 5.306 -2.708 1.00 0.00 O ATOM 846 CB TRP A 55 -1.114 4.707 -0.924 1.00 0.00 C ATOM 847 CG TRP A 55 -2.062 4.896 0.222 1.00 0.00 C ATOM 848 CD1 TRP A 55 -1.907 5.743 1.282 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.309 4.223 0.422 1.00 0.00 C ATOM 850 NE1 TRP A 55 -2.983 5.636 2.130 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.858 4.711 1.624 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.017 3.256 -0.297 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.079 4.264 2.121 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.229 2.813 0.197 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.751 3.317 1.396 1.00 0.00 C ATOM 0 H TRP A 55 -0.601 6.898 -2.327 1.00 0.00 H new ATOM 0 HA TRP A 55 0.399 5.735 0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.639 4.908 -1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.796 3.665 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.063 6.400 1.432 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.110 6.160 2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.624 2.862 -1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.482 4.650 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.784 2.065 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.702 2.951 1.755 1.00 0.00 H new ATOM 866 N ARG A 56 1.930 3.989 -0.913 1.00 0.00 N ATOM 867 CA ARG A 56 3.064 3.285 -1.499 1.00 0.00 C ATOM 868 C ARG A 56 2.654 1.894 -1.974 1.00 0.00 C ATOM 869 O ARG A 56 2.282 1.037 -1.173 1.00 0.00 O ATOM 870 CB ARG A 56 4.203 3.174 -0.484 1.00 0.00 C ATOM 871 CG ARG A 56 5.565 2.945 -1.119 1.00 0.00 C ATOM 872 CD ARG A 56 6.682 3.039 -0.091 1.00 0.00 C ATOM 873 NE ARG A 56 7.984 3.251 -0.717 1.00 0.00 N ATOM 874 CZ ARG A 56 9.064 3.646 -0.051 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.996 3.872 1.254 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.214 3.816 -0.691 1.00 0.00 N ATOM 0 H ARG A 56 1.683 3.681 0.027 1.00 0.00 H new ATOM 0 HA ARG A 56 3.409 3.857 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.238 4.086 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.989 2.354 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.586 1.963 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.730 3.682 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.473 3.858 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.709 2.124 0.500 1.00 0.00 H new ATOM 0 HE ARG A 56 8.069 3.087 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.113 3.743 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.826 4.175 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.269 3.643 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.043 4.119 -0.179 1.00 0.00 H new ATOM 890 N VAL A 57 2.724 1.677 -3.284 1.00 0.00 N ATOM 891 CA VAL A 57 2.361 0.391 -3.866 1.00 0.00 C ATOM 892 C VAL A 57 3.443 -0.106 -4.819 1.00 0.00 C ATOM 893 O VAL A 57 4.382 0.621 -5.141 1.00 0.00 O ATOM 894 CB VAL A 57 1.024 0.476 -4.625 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.046 1.115 -3.753 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.197 1.249 -5.924 1.00 0.00 C ATOM 0 H VAL A 57 3.029 2.376 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 57 2.257 -0.312 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 57 0.701 -0.536 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.984 1.166 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.188 0.516 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.266 2.121 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.242 1.299 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.543 2.259 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.930 0.744 -6.553 1.00 0.00 H new ATOM 906 N GLN A 58 3.303 -1.350 -5.266 1.00 0.00 N ATOM 907 CA GLN A 58 4.270 -1.945 -6.182 1.00 0.00 C ATOM 908 C GLN A 58 3.565 -2.735 -7.280 1.00 0.00 C ATOM 909 O GLN A 58 2.623 -3.482 -7.013 1.00 0.00 O ATOM 910 CB GLN A 58 5.233 -2.856 -5.420 1.00 0.00 C ATOM 911 CG GLN A 58 6.261 -3.535 -6.310 1.00 0.00 C ATOM 912 CD GLN A 58 7.486 -3.994 -5.543 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.458 -5.020 -4.864 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.569 -3.233 -5.647 1.00 0.00 N ATOM 0 H GLN A 58 2.531 -1.965 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 58 4.836 -1.138 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.752 -2.269 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.659 -3.619 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.801 -4.393 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.567 -2.845 -7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.547 -2.390 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.423 -3.491 -5.152 1.00 0.00 H new ATOM 923 N ASP A 59 4.026 -2.564 -8.514 1.00 0.00 N ATOM 924 CA ASP A 59 3.440 -3.262 -9.652 1.00 0.00 C ATOM 925 C ASP A 59 3.886 -4.720 -9.684 1.00 0.00 C ATOM 926 O ASP A 59 4.818 -5.110 -8.981 1.00 0.00 O ATOM 927 CB ASP A 59 3.829 -2.568 -10.958 1.00 0.00 C ATOM 928 CG ASP A 59 3.469 -3.390 -12.180 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.274 -3.712 -12.347 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.382 -3.712 -12.969 1.00 0.00 O ATOM 0 H ASP A 59 4.804 -1.948 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 59 2.356 -3.235 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.330 -1.601 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.902 -2.374 -10.957 1.00 0.00 H new ATOM 935 N ARG A 60 3.213 -5.522 -10.503 1.00 0.00 N ATOM 936 CA ARG A 60 3.538 -6.938 -10.625 1.00 0.00 C ATOM 937 C ARG A 60 4.942 -7.126 -11.192 1.00 0.00 C ATOM 938 O ARG A 60 5.594 -8.138 -10.938 1.00 0.00 O ATOM 939 CB ARG A 60 2.517 -7.643 -11.519 1.00 0.00 C ATOM 940 CG ARG A 60 2.487 -7.114 -12.944 1.00 0.00 C ATOM 941 CD ARG A 60 2.084 -8.198 -13.932 1.00 0.00 C ATOM 942 NE ARG A 60 2.541 -7.901 -15.286 1.00 0.00 N ATOM 943 CZ ARG A 60 2.287 -8.677 -16.334 1.00 0.00 C ATOM 944 NH1 ARG A 60 1.583 -9.790 -16.184 1.00 0.00 N ATOM 945 NH2 ARG A 60 2.738 -8.340 -17.536 1.00 0.00 N ATOM 0 H ARG A 60 2.439 -5.215 -11.092 1.00 0.00 H new ATOM 0 HA ARG A 60 3.504 -7.380 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.741 -8.709 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.526 -7.535 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.786 -6.282 -13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.470 -6.725 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.499 -9.154 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.999 -8.305 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 60 3.085 -7.051 -15.436 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.235 -10.053 -15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.390 -10.384 -16.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.280 -7.484 -17.656 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.542 -8.937 -18.340 1.00 0.00 H new ATOM 959 N ASN A 61 5.401 -6.144 -11.961 1.00 0.00 N ATOM 960 CA ASN A 61 6.727 -6.202 -12.565 1.00 0.00 C ATOM 961 C ASN A 61 7.809 -5.910 -11.530 1.00 0.00 C ATOM 962 O ASN A 61 8.769 -6.666 -11.390 1.00 0.00 O ATOM 963 CB ASN A 61 6.828 -5.205 -13.721 1.00 0.00 C ATOM 964 CG ASN A 61 5.925 -5.572 -14.882 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.726 -5.293 -14.863 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.498 -6.202 -15.901 1.00 0.00 N ATOM 0 H ASN A 61 4.874 -5.299 -12.181 1.00 0.00 H new ATOM 0 HA ASN A 61 6.880 -7.210 -12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.567 -4.209 -13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.860 -5.159 -14.068 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.941 -6.475 -16.710 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.496 -6.413 -15.874 1.00 0.00 H new ATOM 973 N GLY A 62 7.646 -4.807 -10.806 1.00 0.00 N ATOM 974 CA GLY A 62 8.616 -4.434 -9.793 1.00 0.00 C ATOM 975 C GLY A 62 8.844 -2.937 -9.732 1.00 0.00 C ATOM 976 O GLY A 62 9.955 -2.481 -9.457 1.00 0.00 O ATOM 0 H GLY A 62 6.859 -4.165 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.274 -4.786 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.562 -4.934 -9.999 1.00 0.00 H new ATOM 980 N HIS A 63 7.790 -2.168 -9.989 1.00 0.00 N ATOM 981 CA HIS A 63 7.881 -0.713 -9.963 1.00 0.00 C ATOM 982 C HIS A 63 6.945 -0.129 -8.908 1.00 0.00 C ATOM 983 O HIS A 63 5.745 -0.402 -8.912 1.00 0.00 O ATOM 984 CB HIS A 63 7.543 -0.135 -11.337 1.00 0.00 C ATOM 985 CG HIS A 63 8.071 -0.951 -12.476 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.477 -0.980 -13.721 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.146 -1.770 -12.555 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.163 -1.782 -14.515 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.181 -2.275 -13.832 1.00 0.00 N ATOM 0 H HIS A 63 6.864 -2.529 -10.217 1.00 0.00 H new ATOM 0 HA HIS A 63 8.905 -0.442 -9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.460 -0.053 -11.431 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.947 0.875 -11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.846 -1.986 -11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.931 -1.998 -15.547 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.879 -2.925 -14.194 1.00 0.00 H new ATOM 998 N GLU A 64 7.503 0.674 -8.008 1.00 0.00 N ATOM 999 CA GLU A 64 6.717 1.294 -6.947 1.00 0.00 C ATOM 1000 C GLU A 64 6.895 2.810 -6.954 1.00 0.00 C ATOM 1001 O GLU A 64 7.645 3.354 -7.763 1.00 0.00 O ATOM 1002 CB GLU A 64 7.122 0.728 -5.585 1.00 0.00 C ATOM 1003 CG GLU A 64 8.618 0.501 -5.440 1.00 0.00 C ATOM 1004 CD GLU A 64 9.382 1.789 -5.201 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.997 2.547 -4.286 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.366 2.038 -5.928 1.00 0.00 O ATOM 0 H GLU A 64 8.495 0.911 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 64 5.666 1.068 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.789 1.411 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.603 -0.217 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.799 -0.184 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.998 0.019 -6.341 1.00 0.00 H new ATOM 1013 N GLY A 65 6.198 3.485 -6.045 1.00 0.00 N ATOM 1014 CA GLY A 65 6.291 4.931 -5.963 1.00 0.00 C ATOM 1015 C GLY A 65 5.152 5.541 -5.171 1.00 0.00 C ATOM 1016 O GLY A 65 4.693 4.964 -4.185 1.00 0.00 O ATOM 0 H GLY A 65 5.571 3.056 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.239 5.205 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.295 5.349 -6.969 1.00 0.00 H new ATOM 1020 N TYR A 66 4.695 6.712 -5.601 1.00 0.00 N ATOM 1021 CA TYR A 66 3.605 7.404 -4.923 1.00 0.00 C ATOM 1022 C TYR A 66 2.430 7.628 -5.870 1.00 0.00 C ATOM 1023 O TYR A 66 2.591 8.181 -6.958 1.00 0.00 O ATOM 1024 CB TYR A 66 4.091 8.744 -4.368 1.00 0.00 C ATOM 1025 CG TYR A 66 5.021 8.607 -3.184 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.732 7.730 -2.145 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.189 9.355 -3.103 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.578 7.603 -1.061 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.042 9.233 -2.023 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.733 8.356 -1.005 1.00 0.00 C ATOM 1031 OH TYR A 66 7.579 8.232 0.073 1.00 0.00 O ATOM 0 H TYR A 66 5.063 7.202 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 66 3.268 6.778 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.602 9.292 -5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.228 9.341 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.830 7.138 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.434 10.044 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.337 6.918 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.946 9.822 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 66 8.346 8.830 -0.043 1.00 0.00 H new ATOM 1041 N VAL A 67 1.247 7.196 -5.446 1.00 0.00 N ATOM 1042 CA VAL A 67 0.043 7.351 -6.254 1.00 0.00 C ATOM 1043 C VAL A 67 -1.137 7.804 -5.400 1.00 0.00 C ATOM 1044 O VAL A 67 -1.200 7.547 -4.198 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.328 6.037 -6.966 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.599 5.790 -8.146 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.284 4.871 -5.990 1.00 0.00 C ATOM 0 H VAL A 67 1.096 6.736 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 67 0.260 8.113 -7.003 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.346 6.125 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.322 4.857 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.512 6.613 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.628 5.722 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.549 3.951 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.721 4.779 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.993 5.047 -5.181 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.096 8.494 -6.035 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.293 8.997 -5.354 1.00 0.00 C ATOM 1059 C PRO A 68 -4.238 7.875 -4.939 1.00 0.00 C ATOM 1060 O PRO A 68 -4.858 7.228 -5.784 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.952 9.890 -6.408 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.478 9.349 -7.712 1.00 0.00 C ATOM 1063 CD PRO A 68 -2.086 8.836 -7.467 1.00 0.00 C ATOM 0 HA PRO A 68 -3.047 9.518 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.039 9.852 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.660 10.933 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.132 8.551 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.479 10.123 -8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.863 7.967 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.334 9.591 -7.695 1.00 0.00 H new ATOM 1071 N SER A 69 -4.344 7.648 -3.634 1.00 0.00 N ATOM 1072 CA SER A 69 -5.212 6.601 -3.108 1.00 0.00 C ATOM 1073 C SER A 69 -6.563 6.607 -3.818 1.00 0.00 C ATOM 1074 O SER A 69 -7.145 5.554 -4.077 1.00 0.00 O ATOM 1075 CB SER A 69 -5.414 6.785 -1.602 1.00 0.00 C ATOM 1076 OG SER A 69 -6.175 7.949 -1.328 1.00 0.00 O ATOM 0 H SER A 69 -3.840 8.175 -2.921 1.00 0.00 H new ATOM 0 HA SER A 69 -4.730 5.640 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.919 5.911 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.445 6.855 -1.108 1.00 0.00 H new ATOM 0 HG SER A 69 -5.762 8.443 -0.589 1.00 0.00 H new ATOM 1082 N SER A 70 -7.055 7.802 -4.129 1.00 0.00 N ATOM 1083 CA SER A 70 -8.338 7.947 -4.806 1.00 0.00 C ATOM 1084 C SER A 70 -8.484 6.916 -5.921 1.00 0.00 C ATOM 1085 O SER A 70 -9.545 6.313 -6.089 1.00 0.00 O ATOM 1086 CB SER A 70 -8.480 9.358 -5.380 1.00 0.00 C ATOM 1087 OG SER A 70 -8.506 10.328 -4.347 1.00 0.00 O ATOM 0 H SER A 70 -6.585 8.683 -3.923 1.00 0.00 H new ATOM 0 HA SER A 70 -9.127 7.779 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.650 9.564 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.395 9.424 -5.969 1.00 0.00 H new ATOM 0 HG SER A 70 -8.596 11.222 -4.739 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.412 6.718 -6.679 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.420 5.762 -7.780 1.00 0.00 C ATOM 1095 C TYR A 71 -7.433 4.329 -7.256 1.00 0.00 C ATOM 1096 O TYR A 71 -8.091 3.455 -7.822 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.201 5.977 -8.679 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.316 7.191 -9.574 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.665 8.431 -9.053 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -6.076 7.097 -10.939 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.771 9.542 -9.867 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.179 8.203 -11.760 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.527 9.424 -11.219 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.631 10.528 -12.033 1.00 0.00 O ATOM 0 H TYR A 71 -6.526 7.207 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.326 5.925 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.313 6.079 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.056 5.092 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.856 8.528 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.804 6.143 -11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.044 10.499 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.988 8.113 -12.819 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.426 10.274 -12.957 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.702 4.095 -6.172 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.628 2.769 -5.570 1.00 0.00 C ATOM 1116 C LEU A 72 -7.948 2.402 -4.899 1.00 0.00 C ATOM 1117 O LEU A 72 -8.524 3.200 -4.160 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.491 2.713 -4.549 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.075 2.840 -5.113 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.047 2.778 -3.995 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.812 1.750 -6.143 1.00 0.00 C ATOM 0 H LEU A 72 -6.152 4.807 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.431 2.047 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.643 3.510 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.562 1.769 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.986 3.808 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.046 2.870 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.222 3.594 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.135 1.825 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.800 1.855 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.920 0.772 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.528 1.841 -6.960 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.421 1.187 -5.159 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.671 0.713 -4.578 1.00 0.00 C ATOM 1135 C VAL A 73 -9.477 -0.626 -3.875 1.00 0.00 C ATOM 1136 O VAL A 73 -8.869 -1.544 -4.425 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.767 0.563 -5.649 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.708 1.717 -6.638 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.633 -0.772 -6.366 1.00 0.00 C ATOM 0 H VAL A 73 -7.957 0.513 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.985 1.461 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.739 0.588 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.490 1.594 -7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.858 2.658 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.734 1.727 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.416 -0.861 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.657 -0.830 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.730 -1.584 -5.645 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.997 -0.730 -2.656 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.880 -1.958 -1.878 1.00 0.00 C ATOM 1151 C GLU A 74 -10.631 -3.103 -2.553 1.00 0.00 C ATOM 1152 O GLU A 74 -11.861 -3.144 -2.546 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.420 -1.744 -0.462 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.835 -2.700 0.563 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.792 -2.991 1.702 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.758 -2.251 2.708 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.574 -3.958 1.589 1.00 0.00 O ATOM 0 H GLU A 74 -10.503 0.021 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.824 -2.223 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.210 -0.720 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.504 -1.857 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.567 -3.635 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.915 -2.277 0.966 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.880 -4.032 -3.135 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.471 -5.179 -3.814 1.00 0.00 C ATOM 1166 C LYS A 75 -11.412 -5.937 -2.883 1.00 0.00 C ATOM 1167 O LYS A 75 -10.985 -6.489 -1.869 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.375 -6.117 -4.323 1.00 0.00 C ATOM 1169 CG LYS A 75 -9.893 -7.229 -5.219 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.755 -8.024 -5.836 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.224 -9.390 -6.313 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.081 -10.276 -6.668 1.00 0.00 N ATOM 0 H LYS A 75 -8.860 -4.013 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.047 -4.810 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.636 -5.534 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.862 -6.559 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.532 -7.896 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.511 -6.803 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.335 -7.469 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.957 -8.147 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.821 -9.862 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.873 -9.269 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.407 -11.021 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.338 -9.715 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.698 -10.712 -5.805 1.00 0.00 H new ATOM 1186 N SER A 76 -12.694 -5.960 -3.234 1.00 0.00 N ATOM 1187 CA SER A 76 -13.695 -6.649 -2.428 1.00 0.00 C ATOM 1188 C SER A 76 -13.126 -7.936 -1.838 1.00 0.00 C ATOM 1189 O SER A 76 -12.315 -8.626 -2.455 1.00 0.00 O ATOM 1190 CB SER A 76 -14.931 -6.964 -3.273 1.00 0.00 C ATOM 1191 OG SER A 76 -15.592 -5.776 -3.673 1.00 0.00 O ATOM 0 H SER A 76 -13.064 -5.509 -4.071 1.00 0.00 H new ATOM 0 HA SER A 76 -13.982 -5.991 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.637 -7.535 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.616 -7.590 -2.702 1.00 0.00 H new ATOM 0 HG SER A 76 -16.377 -6.004 -4.213 1.00 0.00 H new ATOM 1197 N PRO A 77 -13.561 -8.266 -0.613 1.00 0.00 N ATOM 1198 CA PRO A 77 -13.109 -9.472 0.088 1.00 0.00 C ATOM 1199 C PRO A 77 -13.642 -10.749 -0.552 1.00 0.00 C ATOM 1200 O PRO A 77 -14.160 -10.725 -1.668 1.00 0.00 O ATOM 1201 CB PRO A 77 -13.685 -9.299 1.496 1.00 0.00 C ATOM 1202 CG PRO A 77 -14.871 -8.416 1.315 1.00 0.00 C ATOM 1203 CD PRO A 77 -14.527 -7.489 0.181 1.00 0.00 C ATOM 0 HA PRO A 77 -12.024 -9.575 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -13.968 -10.259 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.956 -8.849 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -15.762 -9.001 1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -15.084 -7.856 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -15.408 -7.225 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.093 -6.556 0.542 1.00 0.00 H new ATOM 1211 N ASN A 78 -13.510 -11.863 0.161 1.00 0.00 N ATOM 1212 CA ASN A 78 -13.978 -13.150 -0.339 1.00 0.00 C ATOM 1213 C ASN A 78 -14.799 -13.880 0.721 1.00 0.00 C ATOM 1214 O ASN A 78 -15.905 -14.345 0.452 1.00 0.00 O ATOM 1215 CB ASN A 78 -12.792 -14.016 -0.767 1.00 0.00 C ATOM 1216 CG ASN A 78 -12.208 -13.581 -2.097 1.00 0.00 C ATOM 1217 OD1 ASN A 78 -12.913 -13.041 -2.950 1.00 0.00 O ATOM 1218 ND2 ASN A 78 -10.914 -13.814 -2.279 1.00 0.00 N ATOM 0 H ASN A 78 -13.083 -11.900 1.087 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.616 -12.966 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.018 -13.971 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.111 -15.056 -0.836 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.465 -13.543 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.369 -14.264 -1.544 1.00 0.00 H new ATOM 1225 N ASN A 79 -14.247 -13.974 1.927 1.00 0.00 N ATOM 1226 CA ASN A 79 -14.928 -14.647 3.028 1.00 0.00 C ATOM 1227 C ASN A 79 -15.239 -16.097 2.670 1.00 0.00 C ATOM 1228 O ASN A 79 -16.345 -16.583 2.910 1.00 0.00 O ATOM 1229 CB ASN A 79 -16.220 -13.908 3.383 1.00 0.00 C ATOM 1230 CG ASN A 79 -16.705 -14.234 4.783 1.00 0.00 C ATOM 1231 OD1 ASN A 79 -15.908 -14.504 5.681 1.00 0.00 O ATOM 1232 ND2 ASN A 79 -18.019 -14.209 4.974 1.00 0.00 N ATOM 0 H ASN A 79 -13.331 -13.593 2.166 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.264 -14.640 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.056 -12.834 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.995 -14.170 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.405 -14.419 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -18.643 -13.980 4.200 1.00 0.00 H new ATOM 1239 N LEU A 80 -14.257 -16.782 2.095 1.00 0.00 N ATOM 1240 CA LEU A 80 -14.426 -18.178 1.705 1.00 0.00 C ATOM 1241 C LEU A 80 -13.852 -19.113 2.764 1.00 0.00 C ATOM 1242 O LEU A 80 -12.642 -19.142 2.990 1.00 0.00 O ATOM 1243 CB LEU A 80 -13.747 -18.436 0.358 1.00 0.00 C ATOM 1244 CG LEU A 80 -14.367 -19.535 -0.506 1.00 0.00 C ATOM 1245 CD1 LEU A 80 -14.079 -20.906 0.086 1.00 0.00 C ATOM 1246 CD2 LEU A 80 -15.867 -19.318 -0.649 1.00 0.00 C ATOM 0 H LEU A 80 -13.336 -16.394 1.889 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.494 -18.377 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.751 -17.507 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.704 -18.692 0.543 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.917 -19.489 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.528 -21.675 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.001 -21.062 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.501 -20.965 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.292 -20.109 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -16.333 -19.337 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.052 -18.352 -1.119 1.00 0.00 H new ATOM 1258 N GLU A 81 -14.728 -19.877 3.409 1.00 0.00 N ATOM 1259 CA GLU A 81 -14.307 -20.814 4.444 1.00 0.00 C ATOM 1260 C GLU A 81 -13.630 -22.036 3.829 1.00 0.00 C ATOM 1261 O GLU A 81 -14.294 -22.998 3.439 1.00 0.00 O ATOM 1262 CB GLU A 81 -15.507 -21.252 5.286 1.00 0.00 C ATOM 1263 CG GLU A 81 -16.120 -20.127 6.103 1.00 0.00 C ATOM 1264 CD GLU A 81 -17.544 -20.425 6.529 1.00 0.00 C ATOM 1265 OE1 GLU A 81 -18.281 -21.051 5.739 1.00 0.00 O ATOM 1266 OE2 GLU A 81 -17.922 -20.032 7.653 1.00 0.00 O ATOM 0 H GLU A 81 -15.733 -19.866 3.233 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.588 -20.306 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.269 -21.669 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.196 -22.051 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -15.509 -19.951 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -16.105 -19.208 5.518 1.00 0.00 H new ATOM 1273 N THR A 82 -12.304 -21.991 3.743 1.00 0.00 N ATOM 1274 CA THR A 82 -11.537 -23.092 3.174 1.00 0.00 C ATOM 1275 C THR A 82 -11.020 -24.023 4.265 1.00 0.00 C ATOM 1276 O THR A 82 -10.007 -24.700 4.087 1.00 0.00 O ATOM 1277 CB THR A 82 -10.345 -22.577 2.347 1.00 0.00 C ATOM 1278 OG1 THR A 82 -10.775 -21.536 1.463 1.00 0.00 O ATOM 1279 CG2 THR A 82 -9.717 -23.705 1.541 1.00 0.00 C ATOM 0 H THR A 82 -11.739 -21.203 4.060 1.00 0.00 H new ATOM 0 HA THR A 82 -12.212 -23.643 2.520 1.00 0.00 H new ATOM 0 HB THR A 82 -9.597 -22.183 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.011 -21.213 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.877 -23.317 0.965 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.364 -24.483 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.460 -24.124 0.862 1.00 0.00 H new ATOM 1287 N TYR A 83 -11.722 -24.053 5.392 1.00 0.00 N ATOM 1288 CA TYR A 83 -11.332 -24.901 6.513 1.00 0.00 C ATOM 1289 C TYR A 83 -12.176 -26.172 6.554 1.00 0.00 C ATOM 1290 O TYR A 83 -13.405 -26.114 6.527 1.00 0.00 O ATOM 1291 CB TYR A 83 -11.475 -24.138 7.831 1.00 0.00 C ATOM 1292 CG TYR A 83 -10.367 -23.139 8.075 1.00 0.00 C ATOM 1293 CD1 TYR A 83 -10.074 -22.154 7.140 1.00 0.00 C ATOM 1294 CD2 TYR A 83 -9.614 -23.179 9.242 1.00 0.00 C ATOM 1295 CE1 TYR A 83 -9.062 -21.240 7.359 1.00 0.00 C ATOM 1296 CE2 TYR A 83 -8.601 -22.268 9.470 1.00 0.00 C ATOM 1297 CZ TYR A 83 -8.328 -21.301 8.526 1.00 0.00 C ATOM 1298 OH TYR A 83 -7.320 -20.391 8.748 1.00 0.00 O ATOM 0 H TYR A 83 -12.564 -23.500 5.554 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.288 -25.184 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.432 -23.616 7.837 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -11.497 -24.852 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.647 -22.102 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.824 -23.935 9.984 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.846 -20.482 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.026 -22.313 10.383 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.902 -20.571 9.616 1.00 0.00 H new ATOM 1308 N GLU A 84 -11.505 -27.318 6.619 1.00 0.00 N ATOM 1309 CA GLU A 84 -12.193 -28.603 6.664 1.00 0.00 C ATOM 1310 C GLU A 84 -12.071 -29.237 8.047 1.00 0.00 C ATOM 1311 O GLU A 84 -11.175 -30.044 8.295 1.00 0.00 O ATOM 1312 CB GLU A 84 -11.622 -29.549 5.605 1.00 0.00 C ATOM 1313 CG GLU A 84 -12.585 -30.648 5.188 1.00 0.00 C ATOM 1314 CD GLU A 84 -13.781 -30.116 4.423 1.00 0.00 C ATOM 1315 OE1 GLU A 84 -14.766 -29.706 5.072 1.00 0.00 O ATOM 1316 OE2 GLU A 84 -13.732 -30.110 3.175 1.00 0.00 O ATOM 0 H GLU A 84 -10.487 -27.383 6.642 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.249 -28.429 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.342 -28.970 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.710 -30.004 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.057 -31.374 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.932 -31.178 6.075 1.00 0.00 H new ATOM 1323 N TRP A 85 -12.978 -28.866 8.943 1.00 0.00 N ATOM 1324 CA TRP A 85 -12.973 -29.397 10.301 1.00 0.00 C ATOM 1325 C TRP A 85 -13.051 -30.920 10.290 1.00 0.00 C ATOM 1326 O TRP A 85 -12.281 -31.596 10.972 1.00 0.00 O ATOM 1327 CB TRP A 85 -14.142 -28.820 11.101 1.00 0.00 C ATOM 1328 CG TRP A 85 -13.909 -28.826 12.581 1.00 0.00 C ATOM 1329 CD1 TRP A 85 -13.806 -29.921 13.391 1.00 0.00 C ATOM 1330 CD2 TRP A 85 -13.753 -27.682 13.428 1.00 0.00 C ATOM 1331 NE1 TRP A 85 -13.594 -29.527 14.690 1.00 0.00 N ATOM 1332 CE2 TRP A 85 -13.557 -28.159 14.740 1.00 0.00 C ATOM 1333 CE3 TRP A 85 -13.757 -26.303 13.207 1.00 0.00 C ATOM 1334 CZ2 TRP A 85 -13.369 -27.303 15.822 1.00 0.00 C ATOM 1335 CZ3 TRP A 85 -13.570 -25.455 14.282 1.00 0.00 C ATOM 1336 CH2 TRP A 85 -13.377 -25.957 15.576 1.00 0.00 C ATOM 0 H TRP A 85 -13.726 -28.199 8.754 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.037 -29.103 10.776 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.327 -27.797 10.774 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -15.042 -29.393 10.880 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.880 -30.946 13.059 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -13.482 -30.152 15.488 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -13.904 -25.906 12.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -13.222 -27.688 16.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -13.573 -24.387 14.122 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -13.232 -25.268 16.395 1.00 0.00 H new TER 1347 TRP A 85