USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 615 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 ASN : amide:sc= -2.22! C(o=-4.4!,f=-6.1!) USER MOD Set 1.2: A 61 ASN : amide:sc= -2.21! K(o=-4.4!,f=-5.7) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0945 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00609 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 -5:sc= 1.05 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -168:sc=-0.00903 (180deg=-0.218) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 100:sc=0.000193 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.801 (180deg=-1.79!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.0054) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 50 TYR OH : rot 38:sc= 1.21 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -1.01 K(o=-1,f=-0.38) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.159 (180deg=-0.385) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.36! C(o=-1.4!,f=-6.3!) USER MOD Single : A 79 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 82 ASN : amide:sc=-0.00972 K(o=-0.0097,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.953 -54.819 -26.364 1.00 0.00 N ATOM 2 CA GLY A 1 35.987 -54.220 -25.461 1.00 0.00 C ATOM 3 C GLY A 1 35.402 -52.933 -26.009 1.00 0.00 C ATOM 4 O GLY A 1 35.755 -52.500 -27.105 1.00 0.00 O ATOM 0 H1 GLY A 1 36.632 -55.770 -26.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.045 -54.229 -27.216 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.876 -54.887 -25.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.182 -54.930 -25.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.466 -54.019 -24.503 1.00 0.00 H new ATOM 8 N SER A 2 34.503 -52.321 -25.244 1.00 0.00 N ATOM 9 CA SER A 2 33.864 -51.079 -25.661 1.00 0.00 C ATOM 10 C SER A 2 33.319 -50.318 -24.457 1.00 0.00 C ATOM 11 O SER A 2 33.075 -50.899 -23.399 1.00 0.00 O ATOM 12 CB SER A 2 32.733 -51.370 -26.649 1.00 0.00 C ATOM 13 OG SER A 2 32.148 -50.169 -27.123 1.00 0.00 O ATOM 0 H SER A 2 34.201 -52.665 -24.333 1.00 0.00 H new ATOM 0 HA SER A 2 34.615 -50.459 -26.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.120 -51.946 -27.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.972 -51.983 -26.165 1.00 0.00 H new ATOM 0 HG SER A 2 31.429 -50.382 -27.754 1.00 0.00 H new ATOM 19 N SER A 3 33.130 -49.013 -24.625 1.00 0.00 N ATOM 20 CA SER A 3 32.618 -48.169 -23.552 1.00 0.00 C ATOM 21 C SER A 3 31.937 -46.926 -24.116 1.00 0.00 C ATOM 22 O SER A 3 32.165 -46.546 -25.263 1.00 0.00 O ATOM 23 CB SER A 3 33.752 -47.761 -22.610 1.00 0.00 C ATOM 24 OG SER A 3 33.250 -47.396 -21.336 1.00 0.00 O ATOM 0 H SER A 3 33.324 -48.517 -25.495 1.00 0.00 H new ATOM 0 HA SER A 3 31.880 -48.743 -22.992 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.456 -48.586 -22.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.303 -46.925 -23.040 1.00 0.00 H new ATOM 0 HG SER A 3 33.994 -47.141 -20.752 1.00 0.00 H new ATOM 30 N GLY A 4 31.097 -46.296 -23.299 1.00 0.00 N ATOM 31 CA GLY A 4 30.395 -45.103 -23.732 1.00 0.00 C ATOM 32 C GLY A 4 28.914 -45.155 -23.417 1.00 0.00 C ATOM 33 O GLY A 4 28.359 -46.229 -23.185 1.00 0.00 O ATOM 0 H GLY A 4 30.891 -46.592 -22.345 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.835 -44.231 -23.249 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.531 -44.975 -24.806 1.00 0.00 H new ATOM 37 N SER A 5 28.271 -43.991 -23.407 1.00 0.00 N ATOM 38 CA SER A 5 26.846 -43.908 -23.111 1.00 0.00 C ATOM 39 C SER A 5 26.229 -42.668 -23.753 1.00 0.00 C ATOM 40 O SER A 5 26.832 -41.595 -23.761 1.00 0.00 O ATOM 41 CB SER A 5 26.617 -43.880 -21.599 1.00 0.00 C ATOM 42 OG SER A 5 25.267 -43.577 -21.293 1.00 0.00 O ATOM 0 H SER A 5 28.715 -43.093 -23.600 1.00 0.00 H new ATOM 0 HA SER A 5 26.362 -44.791 -23.528 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.882 -44.846 -21.170 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.272 -43.138 -21.143 1.00 0.00 H new ATOM 0 HG SER A 5 25.146 -43.567 -20.321 1.00 0.00 H new ATOM 48 N SER A 6 25.024 -42.825 -24.291 1.00 0.00 N ATOM 49 CA SER A 6 24.327 -41.721 -24.939 1.00 0.00 C ATOM 50 C SER A 6 22.838 -42.025 -25.078 1.00 0.00 C ATOM 51 O SER A 6 22.412 -43.171 -24.939 1.00 0.00 O ATOM 52 CB SER A 6 24.933 -41.445 -26.317 1.00 0.00 C ATOM 53 OG SER A 6 26.234 -40.896 -26.200 1.00 0.00 O ATOM 0 H SER A 6 24.510 -43.706 -24.291 1.00 0.00 H new ATOM 0 HA SER A 6 24.443 -40.835 -24.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.975 -42.370 -26.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.292 -40.757 -26.868 1.00 0.00 H new ATOM 0 HG SER A 6 26.439 -40.738 -25.255 1.00 0.00 H new ATOM 59 N GLY A 7 22.052 -40.989 -25.354 1.00 0.00 N ATOM 60 CA GLY A 7 20.619 -41.165 -25.508 1.00 0.00 C ATOM 61 C GLY A 7 19.852 -40.793 -24.254 1.00 0.00 C ATOM 62 O GLY A 7 19.228 -41.646 -23.625 1.00 0.00 O ATOM 0 H GLY A 7 22.381 -40.031 -25.474 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.268 -40.554 -26.340 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.409 -42.203 -25.764 1.00 0.00 H new ATOM 66 N MET A 8 19.900 -39.515 -23.891 1.00 0.00 N ATOM 67 CA MET A 8 19.203 -39.032 -22.704 1.00 0.00 C ATOM 68 C MET A 8 18.659 -37.625 -22.928 1.00 0.00 C ATOM 69 O MET A 8 19.402 -36.712 -23.285 1.00 0.00 O ATOM 70 CB MET A 8 20.143 -39.042 -21.497 1.00 0.00 C ATOM 71 CG MET A 8 21.454 -38.312 -21.741 1.00 0.00 C ATOM 72 SD MET A 8 22.338 -37.941 -20.214 1.00 0.00 S ATOM 73 CE MET A 8 23.980 -37.608 -20.845 1.00 0.00 C ATOM 0 H MET A 8 20.413 -38.796 -24.401 1.00 0.00 H new ATOM 0 HA MET A 8 18.364 -39.699 -22.508 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.635 -38.585 -20.648 1.00 0.00 H new ATOM 0 HB3 MET A 8 20.357 -40.075 -21.222 1.00 0.00 H new ATOM 0 HG2 MET A 8 22.089 -38.920 -22.385 1.00 0.00 H new ATOM 0 HG3 MET A 8 21.254 -37.383 -22.275 1.00 0.00 H new ATOM 0 HE1 MET A 8 24.645 -37.362 -20.017 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.357 -38.490 -21.363 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.940 -36.769 -21.540 1.00 0.00 H new ATOM 83 N ALA A 9 17.357 -37.459 -22.717 1.00 0.00 N ATOM 84 CA ALA A 9 16.714 -36.163 -22.895 1.00 0.00 C ATOM 85 C ALA A 9 15.266 -36.199 -22.419 1.00 0.00 C ATOM 86 O ALA A 9 14.584 -37.216 -22.550 1.00 0.00 O ATOM 87 CB ALA A 9 16.781 -35.736 -24.353 1.00 0.00 C ATOM 0 H ALA A 9 16.727 -38.206 -22.423 1.00 0.00 H new ATOM 0 HA ALA A 9 17.251 -35.433 -22.289 1.00 0.00 H new ATOM 0 HB1 ALA A 9 16.297 -34.767 -24.471 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.823 -35.661 -24.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.271 -36.474 -24.972 1.00 0.00 H new ATOM 93 N SER A 10 14.801 -35.084 -21.865 1.00 0.00 N ATOM 94 CA SER A 10 13.435 -34.990 -21.365 1.00 0.00 C ATOM 95 C SER A 10 12.765 -33.708 -21.852 1.00 0.00 C ATOM 96 O SER A 10 13.359 -32.631 -21.813 1.00 0.00 O ATOM 97 CB SER A 10 13.424 -35.034 -19.836 1.00 0.00 C ATOM 98 OG SER A 10 12.100 -34.996 -19.333 1.00 0.00 O ATOM 0 H SER A 10 15.351 -34.233 -21.751 1.00 0.00 H new ATOM 0 HA SER A 10 12.875 -35.842 -21.750 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.921 -35.941 -19.492 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.991 -34.191 -19.441 1.00 0.00 H new ATOM 0 HG SER A 10 12.121 -35.027 -18.354 1.00 0.00 H new ATOM 104 N SER A 11 11.524 -33.834 -22.311 1.00 0.00 N ATOM 105 CA SER A 11 10.773 -32.688 -22.810 1.00 0.00 C ATOM 106 C SER A 11 9.516 -32.458 -21.978 1.00 0.00 C ATOM 107 O SER A 11 8.537 -33.196 -22.094 1.00 0.00 O ATOM 108 CB SER A 11 10.396 -32.898 -24.278 1.00 0.00 C ATOM 109 OG SER A 11 10.045 -31.672 -24.895 1.00 0.00 O ATOM 0 H SER A 11 11.017 -34.718 -22.348 1.00 0.00 H new ATOM 0 HA SER A 11 11.408 -31.806 -22.728 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.233 -33.350 -24.810 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.561 -33.595 -24.346 1.00 0.00 H new ATOM 0 HG SER A 11 9.810 -31.833 -25.833 1.00 0.00 H new ATOM 115 N VAL A 12 9.550 -31.429 -21.137 1.00 0.00 N ATOM 116 CA VAL A 12 8.413 -31.100 -20.285 1.00 0.00 C ATOM 117 C VAL A 12 8.436 -29.630 -19.882 1.00 0.00 C ATOM 118 O VAL A 12 9.500 -29.055 -19.648 1.00 0.00 O ATOM 119 CB VAL A 12 8.394 -31.969 -19.014 1.00 0.00 C ATOM 120 CG1 VAL A 12 9.630 -31.704 -18.167 1.00 0.00 C ATOM 121 CG2 VAL A 12 7.125 -31.716 -18.214 1.00 0.00 C ATOM 0 H VAL A 12 10.352 -30.809 -21.027 1.00 0.00 H new ATOM 0 HA VAL A 12 7.513 -31.301 -20.867 1.00 0.00 H new ATOM 0 HB VAL A 12 8.405 -33.017 -19.312 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.599 -32.327 -17.273 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.524 -31.941 -18.744 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.654 -30.654 -17.876 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.129 -32.339 -17.319 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.080 -30.666 -17.925 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.255 -31.962 -18.824 1.00 0.00 H new ATOM 131 N LEU A 13 7.255 -29.026 -19.802 1.00 0.00 N ATOM 132 CA LEU A 13 7.139 -27.621 -19.426 1.00 0.00 C ATOM 133 C LEU A 13 5.714 -27.290 -18.994 1.00 0.00 C ATOM 134 O LEU A 13 4.755 -27.901 -19.464 1.00 0.00 O ATOM 135 CB LEU A 13 7.551 -26.724 -20.595 1.00 0.00 C ATOM 136 CG LEU A 13 6.629 -26.746 -21.815 1.00 0.00 C ATOM 137 CD1 LEU A 13 5.491 -25.752 -21.642 1.00 0.00 C ATOM 138 CD2 LEU A 13 7.415 -26.443 -23.083 1.00 0.00 C ATOM 0 H LEU A 13 6.365 -29.487 -19.992 1.00 0.00 H new ATOM 0 HA LEU A 13 7.807 -27.439 -18.584 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.618 -25.698 -20.234 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.551 -27.015 -20.915 1.00 0.00 H new ATOM 0 HG LEU A 13 6.202 -27.745 -21.905 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.845 -25.782 -22.520 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.912 -26.013 -20.756 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.899 -24.748 -21.526 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.743 -26.463 -23.941 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.871 -25.456 -23.002 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.195 -27.193 -23.216 1.00 0.00 H new ATOM 150 N GLU A 14 5.585 -26.317 -18.097 1.00 0.00 N ATOM 151 CA GLU A 14 4.276 -25.903 -17.603 1.00 0.00 C ATOM 152 C GLU A 14 3.855 -24.575 -18.224 1.00 0.00 C ATOM 153 O GLU A 14 4.504 -23.549 -18.021 1.00 0.00 O ATOM 154 CB GLU A 14 4.298 -25.782 -16.078 1.00 0.00 C ATOM 155 CG GLU A 14 2.941 -25.460 -15.474 1.00 0.00 C ATOM 156 CD GLU A 14 2.117 -26.702 -15.195 1.00 0.00 C ATOM 157 OE1 GLU A 14 2.716 -27.778 -14.989 1.00 0.00 O ATOM 158 OE2 GLU A 14 0.873 -26.597 -15.181 1.00 0.00 O ATOM 0 H GLU A 14 6.369 -25.801 -17.698 1.00 0.00 H new ATOM 0 HA GLU A 14 3.550 -26.664 -17.890 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.663 -26.717 -15.653 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.007 -25.004 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.083 -24.907 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.391 -24.808 -16.153 1.00 0.00 H new ATOM 165 N MET A 15 2.764 -24.602 -18.982 1.00 0.00 N ATOM 166 CA MET A 15 2.255 -23.401 -19.633 1.00 0.00 C ATOM 167 C MET A 15 2.340 -22.199 -18.697 1.00 0.00 C ATOM 168 O MET A 15 1.829 -22.235 -17.578 1.00 0.00 O ATOM 169 CB MET A 15 0.807 -23.611 -20.081 1.00 0.00 C ATOM 170 CG MET A 15 0.657 -24.644 -21.186 1.00 0.00 C ATOM 171 SD MET A 15 1.617 -24.232 -22.656 1.00 0.00 S ATOM 172 CE MET A 15 0.743 -22.780 -23.235 1.00 0.00 C ATOM 0 H MET A 15 2.215 -25.443 -19.161 1.00 0.00 H new ATOM 0 HA MET A 15 2.873 -23.203 -20.509 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.211 -23.920 -19.222 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.400 -22.660 -20.426 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.972 -25.618 -20.812 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.395 -24.731 -21.456 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.077 -22.532 -24.243 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.328 -22.981 -23.247 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.948 -21.942 -22.568 1.00 0.00 H new ATOM 182 N ILE A 16 2.989 -21.137 -19.163 1.00 0.00 N ATOM 183 CA ILE A 16 3.140 -19.925 -18.368 1.00 0.00 C ATOM 184 C ILE A 16 2.287 -18.791 -18.927 1.00 0.00 C ATOM 185 O ILE A 16 2.379 -18.453 -20.107 1.00 0.00 O ATOM 186 CB ILE A 16 4.609 -19.467 -18.312 1.00 0.00 C ATOM 187 CG1 ILE A 16 5.473 -20.536 -17.640 1.00 0.00 C ATOM 188 CG2 ILE A 16 4.724 -18.143 -17.571 1.00 0.00 C ATOM 189 CD1 ILE A 16 6.951 -20.214 -17.652 1.00 0.00 C ATOM 0 H ILE A 16 3.419 -21.092 -20.087 1.00 0.00 H new ATOM 0 HA ILE A 16 2.805 -20.166 -17.359 1.00 0.00 H new ATOM 0 HB ILE A 16 4.968 -19.323 -19.331 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.145 -20.661 -16.608 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.313 -21.490 -18.143 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.769 -17.833 -17.540 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.135 -17.385 -18.087 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.350 -18.262 -16.554 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.502 -21.015 -17.159 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.294 -20.118 -18.682 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.123 -19.276 -17.123 1.00 0.00 H new ATOM 201 N LYS A 17 1.457 -18.204 -18.071 1.00 0.00 N ATOM 202 CA LYS A 17 0.589 -17.105 -18.477 1.00 0.00 C ATOM 203 C LYS A 17 1.399 -15.839 -18.735 1.00 0.00 C ATOM 204 O LYS A 17 2.121 -15.364 -17.858 1.00 0.00 O ATOM 205 CB LYS A 17 -0.466 -16.838 -17.401 1.00 0.00 C ATOM 206 CG LYS A 17 -1.689 -16.101 -17.919 1.00 0.00 C ATOM 207 CD LYS A 17 -2.653 -17.043 -18.621 1.00 0.00 C ATOM 208 CE LYS A 17 -3.680 -17.611 -17.654 1.00 0.00 C ATOM 209 NZ LYS A 17 -4.840 -18.213 -18.368 1.00 0.00 N ATOM 0 H LYS A 17 1.367 -18.471 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 17 0.091 -17.391 -19.403 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.780 -17.788 -16.969 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.014 -16.256 -16.598 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.198 -15.611 -17.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.377 -15.317 -18.609 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.163 -16.511 -19.424 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.096 -17.858 -19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.208 -18.367 -17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.032 -16.820 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.518 -18.589 -17.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.306 -17.486 -18.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.508 -18.985 -18.981 1.00 0.00 H new ATOM 223 N GLU A 18 1.273 -15.297 -19.942 1.00 0.00 N ATOM 224 CA GLU A 18 1.994 -14.085 -20.313 1.00 0.00 C ATOM 225 C GLU A 18 1.026 -12.931 -20.564 1.00 0.00 C ATOM 226 O GLU A 18 1.197 -12.159 -21.506 1.00 0.00 O ATOM 227 CB GLU A 18 2.844 -14.332 -21.561 1.00 0.00 C ATOM 228 CG GLU A 18 4.064 -15.199 -21.304 1.00 0.00 C ATOM 229 CD GLU A 18 4.776 -15.599 -22.582 1.00 0.00 C ATOM 230 OE1 GLU A 18 5.080 -14.702 -23.396 1.00 0.00 O ATOM 231 OE2 GLU A 18 5.030 -16.807 -22.768 1.00 0.00 O ATOM 0 H GLU A 18 0.679 -15.677 -20.679 1.00 0.00 H new ATOM 0 HA GLU A 18 2.648 -13.814 -19.484 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.226 -14.806 -22.323 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.169 -13.373 -21.965 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.758 -14.660 -20.659 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.760 -16.097 -20.766 1.00 0.00 H new ATOM 238 N GLU A 19 0.010 -12.824 -19.714 1.00 0.00 N ATOM 239 CA GLU A 19 -0.986 -11.767 -19.844 1.00 0.00 C ATOM 240 C GLU A 19 -1.252 -11.101 -18.497 1.00 0.00 C ATOM 241 O GLU A 19 -1.355 -9.877 -18.407 1.00 0.00 O ATOM 242 CB GLU A 19 -2.290 -12.330 -20.413 1.00 0.00 C ATOM 243 CG GLU A 19 -2.259 -12.534 -21.919 1.00 0.00 C ATOM 244 CD GLU A 19 -2.638 -11.281 -22.684 1.00 0.00 C ATOM 245 OE1 GLU A 19 -3.776 -10.799 -22.508 1.00 0.00 O ATOM 246 OE2 GLU A 19 -1.795 -10.783 -23.460 1.00 0.00 O ATOM 0 H GLU A 19 -0.145 -13.456 -18.928 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.593 -11.016 -20.530 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.506 -13.283 -19.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.108 -11.654 -20.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.260 -12.850 -22.219 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.942 -13.340 -22.187 1.00 0.00 H new ATOM 253 N VAL A 20 -1.363 -11.915 -17.453 1.00 0.00 N ATOM 254 CA VAL A 20 -1.616 -11.406 -16.110 1.00 0.00 C ATOM 255 C VAL A 20 -0.358 -10.791 -15.509 1.00 0.00 C ATOM 256 O VAL A 20 -0.426 -9.810 -14.767 1.00 0.00 O ATOM 257 CB VAL A 20 -2.127 -12.519 -15.175 1.00 0.00 C ATOM 258 CG1 VAL A 20 -3.490 -13.016 -15.632 1.00 0.00 C ATOM 259 CG2 VAL A 20 -1.126 -13.663 -15.113 1.00 0.00 C ATOM 0 H VAL A 20 -1.282 -12.930 -17.511 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.384 -10.638 -16.202 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.235 -12.106 -14.172 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.835 -13.802 -14.960 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.201 -12.190 -15.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.412 -13.413 -16.644 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.503 -14.440 -14.448 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.984 -14.077 -16.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.173 -13.293 -14.735 1.00 0.00 H new ATOM 269 N THR A 21 0.793 -11.372 -15.835 1.00 0.00 N ATOM 270 CA THR A 21 2.068 -10.881 -15.327 1.00 0.00 C ATOM 271 C THR A 21 2.176 -9.369 -15.484 1.00 0.00 C ATOM 272 O THR A 21 1.548 -8.778 -16.363 1.00 0.00 O ATOM 273 CB THR A 21 3.254 -11.547 -16.050 1.00 0.00 C ATOM 274 OG1 THR A 21 3.109 -12.972 -16.018 1.00 0.00 O ATOM 275 CG2 THR A 21 4.573 -11.152 -15.403 1.00 0.00 C ATOM 0 H THR A 21 0.868 -12.183 -16.449 1.00 0.00 H new ATOM 0 HA THR A 21 2.107 -11.137 -14.268 1.00 0.00 H new ATOM 0 HB THR A 21 3.259 -11.205 -17.085 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.753 -13.284 -16.876 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.396 -11.634 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.694 -10.070 -15.454 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.576 -11.468 -14.360 1.00 0.00 H new ATOM 283 N CYS A 22 2.978 -8.746 -14.626 1.00 0.00 N ATOM 284 CA CYS A 22 3.171 -7.302 -14.669 1.00 0.00 C ATOM 285 C CYS A 22 3.571 -6.847 -16.070 1.00 0.00 C ATOM 286 O CYS A 22 4.597 -7.258 -16.613 1.00 0.00 O ATOM 287 CB CYS A 22 4.239 -6.878 -13.659 1.00 0.00 C ATOM 288 SG CYS A 22 4.247 -5.094 -13.290 1.00 0.00 S ATOM 0 H CYS A 22 3.505 -9.220 -13.892 1.00 0.00 H new ATOM 0 HA CYS A 22 2.225 -6.827 -14.408 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.086 -7.429 -12.731 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.219 -7.163 -14.041 1.00 0.00 H new ATOM 293 N PRO A 23 2.743 -5.979 -16.669 1.00 0.00 N ATOM 294 CA PRO A 23 2.990 -5.449 -18.014 1.00 0.00 C ATOM 295 C PRO A 23 4.178 -4.493 -18.051 1.00 0.00 C ATOM 296 O PRO A 23 4.461 -3.880 -19.081 1.00 0.00 O ATOM 297 CB PRO A 23 1.694 -4.705 -18.345 1.00 0.00 C ATOM 298 CG PRO A 23 1.119 -4.338 -17.021 1.00 0.00 C ATOM 299 CD PRO A 23 1.502 -5.447 -16.081 1.00 0.00 C ATOM 0 HA PRO A 23 3.238 -6.238 -18.724 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.889 -3.820 -18.951 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.010 -5.335 -18.913 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.512 -3.381 -16.677 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.036 -4.234 -17.081 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.663 -5.078 -15.068 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.726 -6.210 -16.022 1.00 0.00 H new ATOM 307 N ILE A 24 4.869 -4.372 -16.923 1.00 0.00 N ATOM 308 CA ILE A 24 6.027 -3.491 -16.828 1.00 0.00 C ATOM 309 C ILE A 24 7.320 -4.293 -16.725 1.00 0.00 C ATOM 310 O ILE A 24 8.153 -4.267 -17.631 1.00 0.00 O ATOM 311 CB ILE A 24 5.921 -2.551 -15.613 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.676 -1.669 -15.730 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.173 -1.695 -15.495 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.105 -1.249 -14.394 1.00 0.00 C ATOM 0 H ILE A 24 4.648 -4.872 -16.062 1.00 0.00 H new ATOM 0 HA ILE A 24 6.044 -2.893 -17.739 1.00 0.00 H new ATOM 0 HB ILE A 24 5.831 -3.156 -14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.925 -0.778 -16.306 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.911 -2.207 -16.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.083 -1.036 -14.632 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.044 -2.339 -15.371 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.291 -1.096 -16.398 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.225 -0.626 -14.554 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.824 -2.134 -13.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.854 -0.683 -13.840 1.00 0.00 H new ATOM 326 N CYS A 25 7.480 -5.007 -15.615 1.00 0.00 N ATOM 327 CA CYS A 25 8.670 -5.818 -15.393 1.00 0.00 C ATOM 328 C CYS A 25 8.495 -7.215 -15.982 1.00 0.00 C ATOM 329 O CYS A 25 9.472 -7.919 -16.242 1.00 0.00 O ATOM 330 CB CYS A 25 8.972 -5.919 -13.896 1.00 0.00 C ATOM 331 SG CYS A 25 7.571 -6.510 -12.893 1.00 0.00 S ATOM 0 H CYS A 25 6.800 -5.040 -14.856 1.00 0.00 H new ATOM 0 HA CYS A 25 9.508 -5.333 -15.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.818 -6.591 -13.751 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.278 -4.939 -13.531 1.00 0.00 H new ATOM 336 N LEU A 26 7.244 -7.609 -16.192 1.00 0.00 N ATOM 337 CA LEU A 26 6.939 -8.922 -16.751 1.00 0.00 C ATOM 338 C LEU A 26 7.421 -10.034 -15.825 1.00 0.00 C ATOM 339 O LEU A 26 7.971 -11.037 -16.279 1.00 0.00 O ATOM 340 CB LEU A 26 7.586 -9.073 -18.129 1.00 0.00 C ATOM 341 CG LEU A 26 7.070 -8.134 -19.220 1.00 0.00 C ATOM 342 CD1 LEU A 26 7.959 -8.209 -20.452 1.00 0.00 C ATOM 343 CD2 LEU A 26 5.630 -8.471 -19.577 1.00 0.00 C ATOM 0 H LEU A 26 6.424 -7.039 -15.984 1.00 0.00 H new ATOM 0 HA LEU A 26 5.857 -9.004 -16.853 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.660 -8.919 -18.023 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.443 -10.100 -18.465 1.00 0.00 H new ATOM 0 HG LEU A 26 7.098 -7.113 -18.838 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.577 -7.534 -21.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.975 -7.917 -20.186 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.963 -9.229 -20.836 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.280 -7.793 -20.355 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.576 -9.498 -19.939 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.002 -8.365 -18.693 1.00 0.00 H new ATOM 355 N GLU A 27 7.208 -9.849 -14.526 1.00 0.00 N ATOM 356 CA GLU A 27 7.620 -10.838 -13.537 1.00 0.00 C ATOM 357 C GLU A 27 6.545 -11.021 -12.470 1.00 0.00 C ATOM 358 O GLU A 27 5.629 -10.206 -12.349 1.00 0.00 O ATOM 359 CB GLU A 27 8.938 -10.418 -12.882 1.00 0.00 C ATOM 360 CG GLU A 27 10.087 -10.271 -13.865 1.00 0.00 C ATOM 361 CD GLU A 27 11.117 -9.255 -13.411 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.740 -9.476 -12.352 1.00 0.00 O ATOM 363 OE2 GLU A 27 11.299 -8.240 -14.115 1.00 0.00 O ATOM 0 H GLU A 27 6.753 -9.024 -14.134 1.00 0.00 H new ATOM 0 HA GLU A 27 7.764 -11.789 -14.050 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.791 -9.470 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.210 -11.155 -12.126 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.571 -11.238 -13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.693 -9.974 -14.837 1.00 0.00 H new ATOM 370 N LEU A 28 6.662 -12.096 -11.699 1.00 0.00 N ATOM 371 CA LEU A 28 5.700 -12.388 -10.642 1.00 0.00 C ATOM 372 C LEU A 28 5.283 -11.112 -9.917 1.00 0.00 C ATOM 373 O LEU A 28 6.111 -10.433 -9.308 1.00 0.00 O ATOM 374 CB LEU A 28 6.295 -13.383 -9.644 1.00 0.00 C ATOM 375 CG LEU A 28 5.322 -14.403 -9.051 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.001 -15.220 -7.964 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.086 -13.704 -8.502 1.00 0.00 C ATOM 0 H LEU A 28 7.414 -12.780 -11.786 1.00 0.00 H new ATOM 0 HA LEU A 28 4.815 -12.829 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.101 -13.925 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.744 -12.821 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 28 5.009 -15.082 -9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.293 -15.940 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.854 -15.750 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.344 -14.556 -7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.405 -14.445 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.381 -13.002 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.586 -13.164 -9.306 1.00 0.00 H new ATOM 389 N LEU A 29 3.996 -10.793 -9.986 1.00 0.00 N ATOM 390 CA LEU A 29 3.468 -9.599 -9.334 1.00 0.00 C ATOM 391 C LEU A 29 3.543 -9.729 -7.816 1.00 0.00 C ATOM 392 O LEU A 29 2.851 -10.553 -7.217 1.00 0.00 O ATOM 393 CB LEU A 29 2.020 -9.356 -9.766 1.00 0.00 C ATOM 394 CG LEU A 29 1.810 -8.991 -11.236 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.475 -9.523 -11.732 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.892 -7.484 -11.428 1.00 0.00 C ATOM 0 H LEU A 29 3.298 -11.344 -10.486 1.00 0.00 H new ATOM 0 HA LEU A 29 4.079 -8.749 -9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.442 -10.254 -9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.608 -8.556 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 29 2.603 -9.455 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.343 -9.254 -12.780 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.456 -10.608 -11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.332 -9.089 -11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.740 -7.242 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.121 -6.998 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.873 -7.130 -11.112 1.00 0.00 H new ATOM 408 N LYS A 30 4.386 -8.908 -7.199 1.00 0.00 N ATOM 409 CA LYS A 30 4.550 -8.928 -5.750 1.00 0.00 C ATOM 410 C LYS A 30 3.598 -7.941 -5.081 1.00 0.00 C ATOM 411 O LYS A 30 3.674 -6.736 -5.317 1.00 0.00 O ATOM 412 CB LYS A 30 5.995 -8.592 -5.375 1.00 0.00 C ATOM 413 CG LYS A 30 6.985 -9.691 -5.722 1.00 0.00 C ATOM 414 CD LYS A 30 8.403 -9.154 -5.822 1.00 0.00 C ATOM 415 CE LYS A 30 8.704 -8.632 -7.218 1.00 0.00 C ATOM 416 NZ LYS A 30 8.101 -7.290 -7.450 1.00 0.00 N ATOM 0 H LYS A 30 4.966 -8.220 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 30 4.313 -9.931 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.290 -7.675 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.047 -8.393 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.944 -10.472 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.702 -10.151 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.542 -8.354 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.111 -9.943 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.783 -8.575 -7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.322 -9.335 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.697 -6.751 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.150 -7.402 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.035 -6.778 -6.547 1.00 0.00 H new ATOM 430 N GLU A 31 2.705 -8.461 -4.246 1.00 0.00 N ATOM 431 CA GLU A 31 1.739 -7.624 -3.543 1.00 0.00 C ATOM 432 C GLU A 31 1.187 -6.540 -4.464 1.00 0.00 C ATOM 433 O GLU A 31 1.209 -5.351 -4.147 1.00 0.00 O ATOM 434 CB GLU A 31 2.386 -6.984 -2.313 1.00 0.00 C ATOM 435 CG GLU A 31 2.459 -7.911 -1.112 1.00 0.00 C ATOM 436 CD GLU A 31 3.078 -7.245 0.102 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.115 -6.568 -0.058 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.526 -7.402 1.211 1.00 0.00 O ATOM 0 H GLU A 31 2.630 -9.457 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 31 0.913 -8.258 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.393 -6.658 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.822 -6.092 -2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.455 -8.254 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.042 -8.794 -1.374 1.00 0.00 H new ATOM 445 N PRO A 32 0.680 -6.959 -5.633 1.00 0.00 N ATOM 446 CA PRO A 32 0.113 -6.040 -6.624 1.00 0.00 C ATOM 447 C PRO A 32 -1.204 -5.428 -6.161 1.00 0.00 C ATOM 448 O PRO A 32 -1.934 -6.027 -5.370 1.00 0.00 O ATOM 449 CB PRO A 32 -0.113 -6.933 -7.847 1.00 0.00 C ATOM 450 CG PRO A 32 -0.265 -8.306 -7.290 1.00 0.00 C ATOM 451 CD PRO A 32 0.622 -8.362 -6.077 1.00 0.00 C ATOM 0 HA PRO A 32 0.769 -5.191 -6.814 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.002 -6.629 -8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.727 -6.877 -8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.303 -8.506 -7.024 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.027 -9.059 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.208 -9.011 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.612 -8.748 -6.320 1.00 0.00 H new ATOM 459 N VAL A 33 -1.504 -4.232 -6.658 1.00 0.00 N ATOM 460 CA VAL A 33 -2.734 -3.540 -6.295 1.00 0.00 C ATOM 461 C VAL A 33 -3.637 -3.352 -7.509 1.00 0.00 C ATOM 462 O VAL A 33 -3.243 -2.735 -8.499 1.00 0.00 O ATOM 463 CB VAL A 33 -2.441 -2.163 -5.669 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.590 -2.316 -4.418 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.758 -1.254 -6.680 1.00 0.00 C ATOM 0 H VAL A 33 -0.911 -3.722 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.242 -4.164 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.387 -1.704 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.393 -1.333 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.120 -2.930 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.646 -2.795 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.558 -0.285 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.818 -1.705 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.407 -1.119 -7.545 1.00 0.00 H new ATOM 475 N SER A 34 -4.851 -3.887 -7.426 1.00 0.00 N ATOM 476 CA SER A 34 -5.810 -3.781 -8.519 1.00 0.00 C ATOM 477 C SER A 34 -6.329 -2.352 -8.651 1.00 0.00 C ATOM 478 O SER A 34 -6.477 -1.640 -7.658 1.00 0.00 O ATOM 479 CB SER A 34 -6.979 -4.741 -8.295 1.00 0.00 C ATOM 480 OG SER A 34 -6.519 -6.066 -8.093 1.00 0.00 O ATOM 0 H SER A 34 -5.194 -4.398 -6.613 1.00 0.00 H new ATOM 0 HA SER A 34 -5.300 -4.050 -9.444 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.558 -4.418 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.648 -4.712 -9.155 1.00 0.00 H new ATOM 0 HG SER A 34 -7.285 -6.660 -7.950 1.00 0.00 H new ATOM 486 N ALA A 35 -6.603 -1.940 -9.884 1.00 0.00 N ATOM 487 CA ALA A 35 -7.107 -0.597 -10.146 1.00 0.00 C ATOM 488 C ALA A 35 -8.500 -0.645 -10.764 1.00 0.00 C ATOM 489 O ALA A 35 -8.963 -1.702 -11.195 1.00 0.00 O ATOM 490 CB ALA A 35 -6.150 0.158 -11.056 1.00 0.00 C ATOM 0 H ALA A 35 -6.485 -2.516 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.178 -0.070 -9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.539 1.159 -11.243 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.174 0.232 -10.576 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.050 -0.375 -12.002 1.00 0.00 H new ATOM 496 N ASP A 36 -9.165 0.504 -10.804 1.00 0.00 N ATOM 497 CA ASP A 36 -10.506 0.594 -11.370 1.00 0.00 C ATOM 498 C ASP A 36 -10.571 -0.104 -12.725 1.00 0.00 C ATOM 499 O ASP A 36 -11.599 -0.674 -13.092 1.00 0.00 O ATOM 500 CB ASP A 36 -10.925 2.057 -11.515 1.00 0.00 C ATOM 501 CG ASP A 36 -12.350 2.205 -12.012 1.00 0.00 C ATOM 502 OD1 ASP A 36 -13.182 1.330 -11.695 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.632 3.196 -12.718 1.00 0.00 O ATOM 0 H ASP A 36 -8.797 1.387 -10.451 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.195 0.094 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.825 2.558 -10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.248 2.559 -12.206 1.00 0.00 H new ATOM 508 N CYS A 37 -9.468 -0.055 -13.464 1.00 0.00 N ATOM 509 CA CYS A 37 -9.400 -0.681 -14.779 1.00 0.00 C ATOM 510 C CYS A 37 -8.939 -2.132 -14.667 1.00 0.00 C ATOM 511 O CYS A 37 -8.185 -2.620 -15.507 1.00 0.00 O ATOM 512 CB CYS A 37 -8.448 0.099 -15.689 1.00 0.00 C ATOM 513 SG CYS A 37 -6.833 0.469 -14.933 1.00 0.00 S ATOM 0 H CYS A 37 -8.609 0.412 -13.174 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.400 -0.668 -15.213 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.287 -0.472 -16.603 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.925 1.036 -15.978 1.00 0.00 H new ATOM 518 N ASN A 38 -9.400 -2.814 -13.624 1.00 0.00 N ATOM 519 CA ASN A 38 -9.036 -4.209 -13.403 1.00 0.00 C ATOM 520 C ASN A 38 -7.573 -4.453 -13.760 1.00 0.00 C ATOM 521 O ASN A 38 -7.207 -5.534 -14.223 1.00 0.00 O ATOM 522 CB ASN A 38 -9.935 -5.130 -14.230 1.00 0.00 C ATOM 523 CG ASN A 38 -11.173 -5.565 -13.469 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.299 -5.326 -13.906 1.00 0.00 O ATOM 525 ND2 ASN A 38 -10.969 -6.207 -12.325 1.00 0.00 N ATOM 0 H ASN A 38 -10.026 -2.424 -12.919 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.175 -4.431 -12.345 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.235 -4.616 -15.143 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.369 -6.011 -14.531 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.763 -6.524 -11.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.018 -6.383 -12.002 1.00 0.00 H new ATOM 532 N HIS A 39 -6.739 -3.440 -13.542 1.00 0.00 N ATOM 533 CA HIS A 39 -5.315 -3.544 -13.840 1.00 0.00 C ATOM 534 C HIS A 39 -4.486 -3.474 -12.561 1.00 0.00 C ATOM 535 O HIS A 39 -4.521 -2.475 -11.842 1.00 0.00 O ATOM 536 CB HIS A 39 -4.891 -2.432 -14.799 1.00 0.00 C ATOM 537 CG HIS A 39 -5.450 -2.586 -16.180 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.282 -1.641 -17.170 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.177 -3.584 -16.734 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.883 -2.050 -18.273 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.434 -3.227 -18.035 1.00 0.00 N ATOM 0 H HIS A 39 -7.025 -2.538 -13.160 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.137 -4.509 -14.314 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.209 -1.472 -14.392 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.803 -2.409 -14.857 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.496 -4.492 -16.244 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.918 -1.514 -19.210 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.964 -3.781 -18.708 1.00 0.00 H new ATOM 549 N SER A 40 -3.742 -4.540 -12.284 1.00 0.00 N ATOM 550 CA SER A 40 -2.908 -4.601 -11.090 1.00 0.00 C ATOM 551 C SER A 40 -1.428 -4.616 -11.461 1.00 0.00 C ATOM 552 O SER A 40 -1.033 -5.217 -12.460 1.00 0.00 O ATOM 553 CB SER A 40 -3.251 -5.842 -10.265 1.00 0.00 C ATOM 554 OG SER A 40 -3.219 -7.011 -11.065 1.00 0.00 O ATOM 0 H SER A 40 -3.700 -5.373 -12.871 1.00 0.00 H new ATOM 0 HA SER A 40 -3.106 -3.711 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.544 -5.942 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.241 -5.727 -9.823 1.00 0.00 H new ATOM 0 HG SER A 40 -3.440 -7.791 -10.514 1.00 0.00 H new ATOM 560 N PHE A 41 -0.614 -3.950 -10.649 1.00 0.00 N ATOM 561 CA PHE A 41 0.823 -3.884 -10.891 1.00 0.00 C ATOM 562 C PHE A 41 1.600 -4.001 -9.584 1.00 0.00 C ATOM 563 O PHE A 41 1.057 -3.774 -8.502 1.00 0.00 O ATOM 564 CB PHE A 41 1.183 -2.576 -11.598 1.00 0.00 C ATOM 565 CG PHE A 41 0.189 -2.167 -12.647 1.00 0.00 C ATOM 566 CD1 PHE A 41 -0.937 -1.436 -12.305 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.380 -2.515 -13.974 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.854 -1.058 -13.268 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.533 -2.139 -14.941 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.652 -1.411 -14.588 1.00 0.00 C ATOM 0 H PHE A 41 -0.925 -3.448 -9.817 1.00 0.00 H new ATOM 0 HA PHE A 41 1.098 -4.722 -11.532 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.263 -1.782 -10.856 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.165 -2.681 -12.060 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.100 -1.158 -11.274 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.252 -3.086 -14.256 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.727 -0.487 -12.989 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.371 -2.415 -15.973 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.368 -1.118 -15.342 1.00 0.00 H new ATOM 580 N CYS A 42 2.876 -4.357 -9.691 1.00 0.00 N ATOM 581 CA CYS A 42 3.730 -4.505 -8.519 1.00 0.00 C ATOM 582 C CYS A 42 3.629 -3.281 -7.613 1.00 0.00 C ATOM 583 O CYS A 42 3.825 -2.150 -8.057 1.00 0.00 O ATOM 584 CB CYS A 42 5.184 -4.718 -8.945 1.00 0.00 C ATOM 585 SG CYS A 42 5.427 -6.119 -10.085 1.00 0.00 S ATOM 0 H CYS A 42 3.341 -4.548 -10.578 1.00 0.00 H new ATOM 0 HA CYS A 42 3.390 -5.377 -7.961 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.549 -3.808 -9.422 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.793 -4.878 -8.055 1.00 0.00 H new ATOM 590 N ARG A 43 3.321 -3.516 -6.342 1.00 0.00 N ATOM 591 CA ARG A 43 3.192 -2.433 -5.374 1.00 0.00 C ATOM 592 C ARG A 43 4.174 -1.307 -5.684 1.00 0.00 C ATOM 593 O ARG A 43 3.834 -0.129 -5.586 1.00 0.00 O ATOM 594 CB ARG A 43 3.432 -2.957 -3.957 1.00 0.00 C ATOM 595 CG ARG A 43 3.166 -1.924 -2.873 1.00 0.00 C ATOM 596 CD ARG A 43 1.676 -1.729 -2.642 1.00 0.00 C ATOM 597 NE ARG A 43 1.397 -0.542 -1.838 1.00 0.00 N ATOM 598 CZ ARG A 43 1.283 0.680 -2.347 1.00 0.00 C ATOM 599 NH1 ARG A 43 1.423 0.874 -3.651 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.028 1.710 -1.551 1.00 0.00 N ATOM 0 H ARG A 43 3.156 -4.447 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 43 2.179 -2.037 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.793 -3.824 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.463 -3.300 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.641 -2.240 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.619 -0.974 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.168 -1.643 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.268 -2.608 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 43 1.283 -0.657 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.619 0.084 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.335 1.813 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.919 1.564 -0.547 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.941 2.648 -1.943 1.00 0.00 H new ATOM 614 N ALA A 44 5.394 -1.679 -6.060 1.00 0.00 N ATOM 615 CA ALA A 44 6.424 -0.701 -6.386 1.00 0.00 C ATOM 616 C ALA A 44 6.205 -0.115 -7.776 1.00 0.00 C ATOM 617 O ALA A 44 6.017 1.092 -7.931 1.00 0.00 O ATOM 618 CB ALA A 44 7.804 -1.335 -6.290 1.00 0.00 C ATOM 0 H ALA A 44 5.692 -2.651 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 44 6.359 0.112 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.563 -0.593 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.968 -1.699 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.871 -2.168 -6.989 1.00 0.00 H new ATOM 624 N CYS A 45 6.230 -0.978 -8.787 1.00 0.00 N ATOM 625 CA CYS A 45 6.035 -0.546 -10.166 1.00 0.00 C ATOM 626 C CYS A 45 4.990 0.563 -10.247 1.00 0.00 C ATOM 627 O CYS A 45 5.291 1.685 -10.656 1.00 0.00 O ATOM 628 CB CYS A 45 5.607 -1.729 -11.037 1.00 0.00 C ATOM 629 SG CYS A 45 6.958 -2.883 -11.440 1.00 0.00 S ATOM 0 H CYS A 45 6.383 -1.980 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 45 6.983 -0.155 -10.535 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.817 -2.277 -10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.180 -1.348 -11.965 1.00 0.00 H new ATOM 634 N ILE A 46 3.762 0.241 -9.853 1.00 0.00 N ATOM 635 CA ILE A 46 2.673 1.210 -9.880 1.00 0.00 C ATOM 636 C ILE A 46 3.102 2.535 -9.258 1.00 0.00 C ATOM 637 O ILE A 46 2.667 3.604 -9.687 1.00 0.00 O ATOM 638 CB ILE A 46 1.433 0.683 -9.134 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.275 1.675 -9.261 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.762 0.430 -7.671 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.089 1.028 -9.167 1.00 0.00 C ATOM 0 H ILE A 46 3.497 -0.683 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 46 2.416 1.369 -10.927 1.00 0.00 H new ATOM 0 HB ILE A 46 1.130 -0.261 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.365 2.428 -8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.356 2.195 -10.215 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.875 0.058 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.559 -0.310 -7.600 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.087 1.360 -7.205 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.861 1.791 -9.265 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.200 0.295 -9.966 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.190 0.531 -8.202 1.00 0.00 H new ATOM 653 N THR A 47 3.958 2.457 -8.244 1.00 0.00 N ATOM 654 CA THR A 47 4.447 3.650 -7.563 1.00 0.00 C ATOM 655 C THR A 47 5.472 4.388 -8.416 1.00 0.00 C ATOM 656 O THR A 47 5.443 5.616 -8.516 1.00 0.00 O ATOM 657 CB THR A 47 5.082 3.300 -6.204 1.00 0.00 C ATOM 658 OG1 THR A 47 4.124 2.635 -5.373 1.00 0.00 O ATOM 659 CG2 THR A 47 5.585 4.553 -5.504 1.00 0.00 C ATOM 0 H THR A 47 4.327 1.580 -7.876 1.00 0.00 H new ATOM 0 HA THR A 47 3.585 4.296 -7.397 1.00 0.00 H new ATOM 0 HB THR A 47 5.929 2.638 -6.383 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.137 1.674 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.029 4.281 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.335 5.041 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.752 5.236 -5.337 1.00 0.00 H new ATOM 667 N LEU A 48 6.378 3.635 -9.029 1.00 0.00 N ATOM 668 CA LEU A 48 7.413 4.218 -9.875 1.00 0.00 C ATOM 669 C LEU A 48 6.808 4.826 -11.136 1.00 0.00 C ATOM 670 O LEU A 48 6.992 6.009 -11.417 1.00 0.00 O ATOM 671 CB LEU A 48 8.449 3.158 -10.252 1.00 0.00 C ATOM 672 CG LEU A 48 9.603 2.966 -9.267 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.373 1.695 -9.588 1.00 0.00 C ATOM 674 CD2 LEU A 48 10.529 4.174 -9.289 1.00 0.00 C ATOM 0 H LEU A 48 6.417 2.618 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 48 7.903 5.012 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.936 2.203 -10.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.867 3.418 -11.224 1.00 0.00 H new ATOM 0 HG LEU A 48 9.188 2.870 -8.264 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.190 1.575 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.704 0.837 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.778 1.760 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.344 4.020 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.937 4.301 -10.292 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.969 5.067 -9.009 1.00 0.00 H new ATOM 686 N ASN A 49 6.083 4.007 -11.892 1.00 0.00 N ATOM 687 CA ASN A 49 5.448 4.464 -13.123 1.00 0.00 C ATOM 688 C ASN A 49 4.666 5.752 -12.886 1.00 0.00 C ATOM 689 O ASN A 49 4.785 6.712 -13.648 1.00 0.00 O ATOM 690 CB ASN A 49 4.516 3.382 -13.673 1.00 0.00 C ATOM 691 CG ASN A 49 4.242 3.554 -15.155 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.188 4.052 -15.549 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.194 3.141 -15.984 1.00 0.00 N ATOM 0 H ASN A 49 5.921 3.024 -11.674 1.00 0.00 H new ATOM 0 HA ASN A 49 6.232 4.665 -13.854 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.960 2.402 -13.500 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.573 3.406 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.067 3.231 -16.992 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.052 2.734 -15.613 1.00 0.00 H new ATOM 700 N TYR A 50 3.867 5.766 -11.825 1.00 0.00 N ATOM 701 CA TYR A 50 3.064 6.935 -11.488 1.00 0.00 C ATOM 702 C TYR A 50 3.952 8.144 -11.207 1.00 0.00 C ATOM 703 O TYR A 50 3.718 9.233 -11.729 1.00 0.00 O ATOM 704 CB TYR A 50 2.183 6.642 -10.272 1.00 0.00 C ATOM 705 CG TYR A 50 1.771 7.881 -9.510 1.00 0.00 C ATOM 706 CD1 TYR A 50 1.192 8.962 -10.163 1.00 0.00 C ATOM 707 CD2 TYR A 50 1.960 7.970 -8.136 1.00 0.00 C ATOM 708 CE1 TYR A 50 0.815 10.096 -9.471 1.00 0.00 C ATOM 709 CE2 TYR A 50 1.584 9.100 -7.436 1.00 0.00 C ATOM 710 CZ TYR A 50 1.013 10.161 -8.107 1.00 0.00 C ATOM 711 OH TYR A 50 0.637 11.288 -7.414 1.00 0.00 O ATOM 0 H TYR A 50 3.758 4.981 -11.183 1.00 0.00 H new ATOM 0 HA TYR A 50 2.428 7.165 -12.343 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.288 6.114 -10.601 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.719 5.973 -9.599 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.034 8.915 -11.230 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.408 7.142 -7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.367 10.928 -9.995 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.736 9.152 -6.368 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.205 11.631 -7.780 1.00 0.00 H new ATOM 721 N GLU A 51 4.971 7.941 -10.379 1.00 0.00 N ATOM 722 CA GLU A 51 5.895 9.014 -10.028 1.00 0.00 C ATOM 723 C GLU A 51 6.541 9.605 -11.277 1.00 0.00 C ATOM 724 O GLU A 51 6.592 10.824 -11.445 1.00 0.00 O ATOM 725 CB GLU A 51 6.976 8.495 -9.078 1.00 0.00 C ATOM 726 CG GLU A 51 6.445 8.094 -7.712 1.00 0.00 C ATOM 727 CD GLU A 51 6.479 9.235 -6.714 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.462 10.005 -6.725 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.521 9.359 -5.922 1.00 0.00 O ATOM 0 H GLU A 51 5.178 7.045 -9.939 1.00 0.00 H new ATOM 0 HA GLU A 51 5.328 9.799 -9.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.466 7.635 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.736 9.265 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.420 7.737 -7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.035 7.262 -7.327 1.00 0.00 H new ATOM 736 N SER A 52 7.035 8.733 -12.151 1.00 0.00 N ATOM 737 CA SER A 52 7.682 9.168 -13.383 1.00 0.00 C ATOM 738 C SER A 52 6.785 10.129 -14.158 1.00 0.00 C ATOM 739 O SER A 52 7.220 11.202 -14.573 1.00 0.00 O ATOM 740 CB SER A 52 8.030 7.960 -14.255 1.00 0.00 C ATOM 741 OG SER A 52 9.151 7.264 -13.739 1.00 0.00 O ATOM 0 H SER A 52 6.999 7.721 -12.028 1.00 0.00 H new ATOM 0 HA SER A 52 8.600 9.691 -13.117 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.174 7.288 -14.309 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.240 8.290 -15.272 1.00 0.00 H new ATOM 0 HG SER A 52 9.352 6.496 -14.313 1.00 0.00 H new ATOM 747 N ASN A 53 5.531 9.733 -14.349 1.00 0.00 N ATOM 748 CA ASN A 53 4.572 10.558 -15.074 1.00 0.00 C ATOM 749 C ASN A 53 3.385 10.921 -14.186 1.00 0.00 C ATOM 750 O ASN A 53 2.519 10.088 -13.920 1.00 0.00 O ATOM 751 CB ASN A 53 4.082 9.826 -16.325 1.00 0.00 C ATOM 752 CG ASN A 53 3.794 8.360 -16.062 1.00 0.00 C ATOM 753 OD1 ASN A 53 2.846 8.019 -15.356 1.00 0.00 O ATOM 754 ND2 ASN A 53 4.615 7.485 -16.631 1.00 0.00 N ATOM 0 H ASN A 53 5.155 8.847 -14.012 1.00 0.00 H new ATOM 0 HA ASN A 53 5.074 11.478 -15.372 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.178 10.310 -16.695 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.834 9.911 -17.110 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.472 6.485 -16.490 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.389 7.813 -17.209 1.00 0.00 H new ATOM 761 N ARG A 54 3.353 12.170 -13.733 1.00 0.00 N ATOM 762 CA ARG A 54 2.274 12.643 -12.875 1.00 0.00 C ATOM 763 C ARG A 54 1.015 12.925 -13.690 1.00 0.00 C ATOM 764 O ARG A 54 1.031 12.858 -14.918 1.00 0.00 O ATOM 765 CB ARG A 54 2.704 13.907 -12.128 1.00 0.00 C ATOM 766 CG ARG A 54 3.473 13.625 -10.847 1.00 0.00 C ATOM 767 CD ARG A 54 3.257 14.721 -9.815 1.00 0.00 C ATOM 768 NE ARG A 54 4.154 15.854 -10.025 1.00 0.00 N ATOM 769 CZ ARG A 54 3.948 17.060 -9.508 1.00 0.00 C ATOM 770 NH1 ARG A 54 2.881 17.289 -8.755 1.00 0.00 N ATOM 771 NH2 ARG A 54 4.810 18.041 -9.744 1.00 0.00 N ATOM 0 H ARG A 54 4.062 12.872 -13.946 1.00 0.00 H new ATOM 0 HA ARG A 54 2.050 11.860 -12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.323 14.516 -12.787 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.819 14.496 -11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.156 12.667 -10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.536 13.539 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.223 15.064 -9.861 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.414 14.314 -8.816 1.00 0.00 H new ATOM 0 HE ARG A 54 4.984 15.711 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.216 16.538 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.725 18.216 -8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.632 17.869 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.651 18.967 -9.346 1.00 0.00 H new ATOM 785 N ASN A 55 -0.074 13.241 -12.997 1.00 0.00 N ATOM 786 CA ASN A 55 -1.342 13.533 -13.657 1.00 0.00 C ATOM 787 C ASN A 55 -2.055 14.696 -12.975 1.00 0.00 C ATOM 788 O ASN A 55 -1.517 15.318 -12.058 1.00 0.00 O ATOM 789 CB ASN A 55 -2.241 12.294 -13.649 1.00 0.00 C ATOM 790 CG ASN A 55 -3.269 12.320 -14.763 1.00 0.00 C ATOM 791 OD1 ASN A 55 -4.474 12.335 -14.511 1.00 0.00 O ATOM 792 ND2 ASN A 55 -2.797 12.326 -16.005 1.00 0.00 N ATOM 0 H ASN A 55 -0.104 13.301 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.130 13.815 -14.689 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.625 11.400 -13.748 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.752 12.225 -12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.441 12.344 -16.795 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.790 12.313 -16.168 1.00 0.00 H new ATOM 799 N THR A 56 -3.271 14.986 -13.428 1.00 0.00 N ATOM 800 CA THR A 56 -4.058 16.075 -12.864 1.00 0.00 C ATOM 801 C THR A 56 -4.573 15.718 -11.474 1.00 0.00 C ATOM 802 O THR A 56 -5.274 14.722 -11.299 1.00 0.00 O ATOM 803 CB THR A 56 -5.254 16.430 -13.766 1.00 0.00 C ATOM 804 OG1 THR A 56 -5.981 17.529 -13.206 1.00 0.00 O ATOM 805 CG2 THR A 56 -6.181 15.235 -13.932 1.00 0.00 C ATOM 0 H THR A 56 -3.732 14.481 -14.185 1.00 0.00 H new ATOM 0 HA THR A 56 -3.397 16.939 -12.793 1.00 0.00 H new ATOM 0 HB THR A 56 -4.870 16.711 -14.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.739 17.749 -13.787 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.018 15.510 -14.573 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.633 14.409 -14.386 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.557 14.928 -12.956 1.00 0.00 H new ATOM 813 N ASP A 57 -4.220 16.537 -10.489 1.00 0.00 N ATOM 814 CA ASP A 57 -4.649 16.308 -9.114 1.00 0.00 C ATOM 815 C ASP A 57 -3.896 15.133 -8.499 1.00 0.00 C ATOM 816 O ASP A 57 -4.417 14.434 -7.630 1.00 0.00 O ATOM 817 CB ASP A 57 -6.155 16.047 -9.063 1.00 0.00 C ATOM 818 CG ASP A 57 -6.940 17.014 -9.928 1.00 0.00 C ATOM 819 OD1 ASP A 57 -6.696 18.234 -9.824 1.00 0.00 O ATOM 820 OD2 ASP A 57 -7.798 16.551 -10.709 1.00 0.00 O ATOM 0 H ASP A 57 -3.638 17.365 -10.617 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.424 17.204 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.355 15.027 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.500 16.125 -8.032 1.00 0.00 H new ATOM 825 N GLY A 58 -2.666 14.919 -8.956 1.00 0.00 N ATOM 826 CA GLY A 58 -1.861 13.827 -8.441 1.00 0.00 C ATOM 827 C GLY A 58 -2.247 12.490 -9.041 1.00 0.00 C ATOM 828 O GLY A 58 -1.512 11.510 -8.917 1.00 0.00 O ATOM 0 H GLY A 58 -2.212 15.483 -9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.810 14.025 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.968 13.780 -7.357 1.00 0.00 H new ATOM 832 N LYS A 59 -3.404 12.447 -9.693 1.00 0.00 N ATOM 833 CA LYS A 59 -3.887 11.220 -10.315 1.00 0.00 C ATOM 834 C LYS A 59 -2.729 10.404 -10.880 1.00 0.00 C ATOM 835 O LYS A 59 -1.699 10.954 -11.266 1.00 0.00 O ATOM 836 CB LYS A 59 -4.886 11.547 -11.427 1.00 0.00 C ATOM 837 CG LYS A 59 -6.307 11.746 -10.930 1.00 0.00 C ATOM 838 CD LYS A 59 -6.945 10.428 -10.525 1.00 0.00 C ATOM 839 CE LYS A 59 -8.387 10.620 -10.081 1.00 0.00 C ATOM 840 NZ LYS A 59 -8.478 11.386 -8.807 1.00 0.00 N ATOM 0 H LYS A 59 -4.025 13.249 -9.804 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.387 10.626 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.560 12.451 -11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.876 10.741 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.304 12.427 -10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.904 12.216 -11.711 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.911 9.733 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.371 9.978 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.940 11.144 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.861 9.646 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.382 11.174 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.692 11.116 -8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.424 12.405 -9.010 1.00 0.00 H new ATOM 854 N GLY A 60 -2.907 9.086 -10.926 1.00 0.00 N ATOM 855 CA GLY A 60 -1.869 8.216 -11.447 1.00 0.00 C ATOM 856 C GLY A 60 -2.210 7.662 -12.816 1.00 0.00 C ATOM 857 O GLY A 60 -3.298 7.127 -13.022 1.00 0.00 O ATOM 0 H GLY A 60 -3.751 8.607 -10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.931 8.769 -11.505 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.710 7.390 -10.754 1.00 0.00 H new ATOM 861 N ASN A 61 -1.278 7.790 -13.754 1.00 0.00 N ATOM 862 CA ASN A 61 -1.486 7.300 -15.112 1.00 0.00 C ATOM 863 C ASN A 61 -1.260 5.793 -15.186 1.00 0.00 C ATOM 864 O ASN A 61 -0.342 5.260 -14.562 1.00 0.00 O ATOM 865 CB ASN A 61 -0.548 8.016 -16.085 1.00 0.00 C ATOM 866 CG ASN A 61 -0.872 9.491 -16.221 1.00 0.00 C ATOM 867 OD1 ASN A 61 -1.557 9.905 -17.157 1.00 0.00 O ATOM 868 ND2 ASN A 61 -0.380 10.293 -15.284 1.00 0.00 N ATOM 0 H ASN A 61 -0.371 8.229 -13.599 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.518 7.510 -15.393 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.481 7.903 -15.743 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.613 7.541 -17.064 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.565 11.295 -15.322 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.183 9.907 -14.526 1.00 0.00 H new ATOM 875 N CYS A 62 -2.103 5.111 -15.954 1.00 0.00 N ATOM 876 CA CYS A 62 -1.997 3.665 -16.112 1.00 0.00 C ATOM 877 C CYS A 62 -1.112 3.312 -17.303 1.00 0.00 C ATOM 878 O CYS A 62 -1.325 3.772 -18.425 1.00 0.00 O ATOM 879 CB CYS A 62 -3.385 3.048 -16.292 1.00 0.00 C ATOM 880 SG CYS A 62 -3.486 1.293 -15.813 1.00 0.00 S ATOM 0 H CYS A 62 -2.868 5.537 -16.477 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.540 3.258 -15.210 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.103 3.617 -15.701 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.682 3.146 -17.336 1.00 0.00 H new ATOM 885 N PRO A 63 -0.094 2.474 -17.056 1.00 0.00 N ATOM 886 CA PRO A 63 0.844 2.039 -18.096 1.00 0.00 C ATOM 887 C PRO A 63 0.193 1.104 -19.109 1.00 0.00 C ATOM 888 O PRO A 63 0.872 0.510 -19.946 1.00 0.00 O ATOM 889 CB PRO A 63 1.929 1.301 -17.308 1.00 0.00 C ATOM 890 CG PRO A 63 1.248 0.838 -16.067 1.00 0.00 C ATOM 891 CD PRO A 63 0.220 1.887 -15.743 1.00 0.00 C ATOM 0 HA PRO A 63 1.219 2.877 -18.683 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.329 0.462 -17.877 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.767 1.959 -17.078 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.779 -0.134 -16.219 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.961 0.724 -15.250 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.664 1.453 -15.275 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.612 2.634 -15.052 1.00 0.00 H new ATOM 899 N VAL A 64 -1.128 0.979 -19.029 1.00 0.00 N ATOM 900 CA VAL A 64 -1.871 0.118 -19.941 1.00 0.00 C ATOM 901 C VAL A 64 -2.943 0.904 -20.688 1.00 0.00 C ATOM 902 O VAL A 64 -2.892 1.034 -21.912 1.00 0.00 O ATOM 903 CB VAL A 64 -2.537 -1.051 -19.191 1.00 0.00 C ATOM 904 CG1 VAL A 64 -3.237 -1.983 -20.168 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.509 -1.807 -18.363 1.00 0.00 C ATOM 0 H VAL A 64 -1.706 1.463 -18.342 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.152 -0.281 -20.656 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.288 -0.644 -18.513 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.702 -2.803 -19.620 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.003 -1.431 -20.713 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.509 -2.385 -20.873 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.997 -2.629 -17.840 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.734 -2.203 -19.019 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.059 -1.131 -17.636 1.00 0.00 H new ATOM 915 N CYS A 65 -3.912 1.427 -19.945 1.00 0.00 N ATOM 916 CA CYS A 65 -4.997 2.201 -20.537 1.00 0.00 C ATOM 917 C CYS A 65 -4.874 3.677 -20.170 1.00 0.00 C ATOM 918 O CYS A 65 -5.845 4.430 -20.252 1.00 0.00 O ATOM 919 CB CYS A 65 -6.350 1.659 -20.072 1.00 0.00 C ATOM 920 SG CYS A 65 -6.576 1.674 -18.265 1.00 0.00 S ATOM 0 H CYS A 65 -3.968 1.329 -18.931 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.929 2.107 -21.621 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.143 2.249 -20.531 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.463 0.637 -20.433 1.00 0.00 H new ATOM 925 N ARG A 66 -3.675 4.083 -19.766 1.00 0.00 N ATOM 926 CA ARG A 66 -3.426 5.469 -19.386 1.00 0.00 C ATOM 927 C ARG A 66 -4.671 6.094 -18.763 1.00 0.00 C ATOM 928 O ARG A 66 -4.977 7.262 -19.001 1.00 0.00 O ATOM 929 CB ARG A 66 -2.989 6.283 -20.605 1.00 0.00 C ATOM 930 CG ARG A 66 -3.985 6.244 -21.753 1.00 0.00 C ATOM 931 CD ARG A 66 -3.684 5.105 -22.713 1.00 0.00 C ATOM 932 NE ARG A 66 -4.239 5.347 -24.042 1.00 0.00 N ATOM 933 CZ ARG A 66 -3.760 4.794 -25.151 1.00 0.00 C ATOM 934 NH1 ARG A 66 -2.722 3.971 -25.090 1.00 0.00 N ATOM 935 NH2 ARG A 66 -4.319 5.064 -26.323 1.00 0.00 N ATOM 0 H ARG A 66 -2.861 3.473 -19.693 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.626 5.479 -18.645 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.836 7.319 -20.303 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.028 5.908 -20.956 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.994 6.130 -21.357 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.959 7.191 -22.291 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.605 4.972 -22.790 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.092 4.177 -22.313 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.038 5.975 -24.123 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.290 3.761 -24.190 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.356 3.548 -25.943 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.117 5.697 -26.374 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.950 4.639 -27.174 1.00 0.00 H new ATOM 949 N VAL A 67 -5.385 5.307 -17.964 1.00 0.00 N ATOM 950 CA VAL A 67 -6.596 5.783 -17.306 1.00 0.00 C ATOM 951 C VAL A 67 -6.271 6.457 -15.978 1.00 0.00 C ATOM 952 O VAL A 67 -5.608 5.888 -15.110 1.00 0.00 O ATOM 953 CB VAL A 67 -7.588 4.632 -17.056 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.120 3.767 -15.896 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.983 5.179 -16.795 1.00 0.00 C ATOM 0 H VAL A 67 -5.146 4.337 -17.757 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.056 6.510 -17.976 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.628 4.009 -17.949 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.833 2.959 -15.734 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.141 3.346 -16.127 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.049 4.375 -14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.671 4.352 -16.620 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.962 5.825 -15.917 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.317 5.752 -17.660 1.00 0.00 H new ATOM 965 N PRO A 68 -6.747 7.700 -15.813 1.00 0.00 N ATOM 966 CA PRO A 68 -6.521 8.479 -14.592 1.00 0.00 C ATOM 967 C PRO A 68 -7.288 7.921 -13.398 1.00 0.00 C ATOM 968 O PRO A 68 -8.505 8.078 -13.301 1.00 0.00 O ATOM 969 CB PRO A 68 -7.041 9.872 -14.958 1.00 0.00 C ATOM 970 CG PRO A 68 -8.043 9.631 -16.034 1.00 0.00 C ATOM 971 CD PRO A 68 -7.545 8.440 -16.805 1.00 0.00 C ATOM 0 HA PRO A 68 -5.474 8.466 -14.289 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.495 10.364 -14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.234 10.517 -15.306 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.029 9.438 -15.612 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.138 10.503 -16.681 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.368 7.837 -17.189 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.942 8.740 -17.662 1.00 0.00 H new ATOM 979 N TYR A 69 -6.568 7.270 -12.491 1.00 0.00 N ATOM 980 CA TYR A 69 -7.181 6.687 -11.303 1.00 0.00 C ATOM 981 C TYR A 69 -6.728 7.416 -10.042 1.00 0.00 C ATOM 982 O TYR A 69 -5.580 7.844 -9.920 1.00 0.00 O ATOM 983 CB TYR A 69 -6.832 5.201 -11.201 1.00 0.00 C ATOM 984 CG TYR A 69 -5.347 4.933 -11.112 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.571 4.824 -12.259 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.720 4.789 -9.880 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.214 4.578 -12.182 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.363 4.545 -9.794 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.614 4.439 -10.948 1.00 0.00 C ATOM 990 OH TYR A 69 -1.262 4.196 -10.867 1.00 0.00 O ATOM 0 H TYR A 69 -5.559 7.133 -12.556 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.262 6.794 -11.393 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.322 4.781 -10.323 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.235 4.681 -12.070 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.037 4.933 -13.227 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.303 4.869 -8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.626 4.495 -13.084 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.891 4.438 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.998 4.126 -9.926 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.651 7.561 -9.080 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.370 8.236 -7.809 1.00 0.00 C ATOM 1002 C PRO A 70 -6.428 7.432 -6.921 1.00 0.00 C ATOM 1003 O PRO A 70 -6.784 6.360 -6.431 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.750 8.353 -7.157 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.545 7.242 -7.751 1.00 0.00 C ATOM 1006 CD PRO A 70 -9.039 7.076 -9.157 1.00 0.00 C ATOM 0 HA PRO A 70 -6.871 9.194 -7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.685 8.258 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.205 9.321 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.418 6.323 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.609 7.477 -7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.084 6.036 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.628 7.656 -9.867 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.224 7.955 -6.716 1.00 0.00 N ATOM 1015 CA PHE A 71 -4.229 7.285 -5.886 1.00 0.00 C ATOM 1016 C PHE A 71 -4.823 6.892 -4.536 1.00 0.00 C ATOM 1017 O PHE A 71 -5.648 7.613 -3.975 1.00 0.00 O ATOM 1018 CB PHE A 71 -3.014 8.190 -5.678 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.737 7.435 -5.443 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -1.240 6.571 -6.406 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.034 7.588 -4.259 1.00 0.00 C ATOM 1022 CE1 PHE A 71 -0.065 5.875 -6.193 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.142 6.895 -4.040 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.626 6.036 -5.008 1.00 0.00 C ATOM 0 H PHE A 71 -4.913 8.841 -7.113 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.913 6.378 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.893 8.829 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.201 8.846 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.777 6.440 -7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.409 8.256 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.312 5.206 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.682 7.025 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.543 5.491 -4.838 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.397 5.743 -4.020 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.897 5.274 -2.741 1.00 0.00 C ATOM 1036 C GLY A 72 -5.996 4.240 -2.892 1.00 0.00 C ATOM 1037 O GLY A 72 -5.859 3.108 -2.431 1.00 0.00 O ATOM 0 H GLY A 72 -3.715 5.129 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.075 4.845 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.276 6.121 -2.169 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.089 4.632 -3.538 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.217 3.732 -3.746 1.00 0.00 C ATOM 1043 C ASN A 73 -7.735 2.314 -4.038 1.00 0.00 C ATOM 1044 O ASN A 73 -8.324 1.338 -3.571 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.091 4.233 -4.899 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.188 5.168 -4.428 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -11.281 4.730 -4.072 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -9.899 6.464 -4.426 1.00 0.00 N ATOM 0 H ASN A 73 -7.217 5.566 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.809 3.715 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.466 4.749 -5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.538 3.380 -5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.597 7.142 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.979 6.782 -4.730 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.661 2.208 -4.812 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.098 0.909 -5.166 1.00 0.00 C ATOM 1057 C LEU A 74 -6.251 -0.082 -4.017 1.00 0.00 C ATOM 1058 O LEU A 74 -5.994 0.249 -2.859 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.621 1.055 -5.536 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.304 2.054 -6.650 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.853 2.502 -6.568 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.600 1.445 -8.013 1.00 0.00 C ATOM 0 H LEU A 74 -6.162 3.005 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.645 0.526 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.071 1.351 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.243 0.077 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.941 2.929 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.646 3.212 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.673 2.978 -5.604 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.199 1.637 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.369 2.170 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.989 0.553 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.655 1.175 -8.070 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.668 -1.300 -4.344 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.851 -2.342 -3.341 1.00 0.00 C ATOM 1076 C LYS A 75 -5.762 -3.404 -3.453 1.00 0.00 C ATOM 1077 O LYS A 75 -5.304 -3.745 -4.544 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.229 -2.991 -3.496 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.380 -2.005 -3.400 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.799 -1.777 -1.957 1.00 0.00 C ATOM 1081 CE LYS A 75 -10.791 -0.629 -1.840 1.00 0.00 C ATOM 1082 NZ LYS A 75 -10.963 -0.187 -0.429 1.00 0.00 N ATOM 0 H LYS A 75 -6.886 -1.590 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.782 -1.879 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.276 -3.499 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.350 -3.754 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.086 -1.056 -3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.229 -2.379 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.246 -2.688 -1.558 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.919 -1.562 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.448 0.211 -2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.755 -0.939 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.646 0.596 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.315 -0.981 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.048 0.133 -0.052 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.336 -3.941 -2.300 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.297 -4.973 -2.244 1.00 0.00 C ATOM 1098 C PRO A 76 -4.776 -6.309 -2.803 1.00 0.00 C ATOM 1099 O PRO A 76 -5.724 -6.902 -2.291 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.000 -5.095 -0.747 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.250 -4.643 -0.074 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.838 -3.582 -0.963 1.00 0.00 C ATOM 0 HA PRO A 76 -3.427 -4.709 -2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.753 -6.121 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.150 -4.476 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.945 -5.472 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.037 -4.247 0.919 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.927 -3.587 -0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.514 -2.584 -0.667 1.00 0.00 H new ATOM 1110 N ASN A 77 -4.112 -6.776 -3.855 1.00 0.00 N ATOM 1111 CA ASN A 77 -4.471 -8.042 -4.484 1.00 0.00 C ATOM 1112 C ASN A 77 -3.794 -9.212 -3.776 1.00 0.00 C ATOM 1113 O ASN A 77 -2.659 -9.571 -4.091 1.00 0.00 O ATOM 1114 CB ASN A 77 -4.077 -8.031 -5.963 1.00 0.00 C ATOM 1115 CG ASN A 77 -4.366 -9.352 -6.648 1.00 0.00 C ATOM 1116 OD1 ASN A 77 -4.604 -10.366 -5.991 1.00 0.00 O ATOM 1117 ND2 ASN A 77 -4.347 -9.346 -7.976 1.00 0.00 N ATOM 0 H ASN A 77 -3.323 -6.297 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.551 -8.166 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.617 -7.234 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.015 -7.804 -6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.534 -10.205 -8.493 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.145 -8.482 -8.479 1.00 0.00 H new ATOM 1124 N LEU A 78 -4.499 -9.803 -2.817 1.00 0.00 N ATOM 1125 CA LEU A 78 -3.967 -10.933 -2.063 1.00 0.00 C ATOM 1126 C LEU A 78 -5.093 -11.835 -1.568 1.00 0.00 C ATOM 1127 O LEU A 78 -6.034 -11.373 -0.921 1.00 0.00 O ATOM 1128 CB LEU A 78 -3.138 -10.436 -0.878 1.00 0.00 C ATOM 1129 CG LEU A 78 -3.922 -10.058 0.379 1.00 0.00 C ATOM 1130 CD1 LEU A 78 -2.976 -9.795 1.540 1.00 0.00 C ATOM 1131 CD2 LEU A 78 -4.798 -8.842 0.116 1.00 0.00 C ATOM 0 H LEU A 78 -5.440 -9.519 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.327 -11.513 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.418 -11.211 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.566 -9.566 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.567 -10.895 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.552 -9.527 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.392 -10.693 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.304 -8.976 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.349 -8.587 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.172 -7.999 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.502 -9.067 -0.685 1.00 0.00 H new ATOM 1143 N HIS A 79 -4.990 -13.124 -1.874 1.00 0.00 N ATOM 1144 CA HIS A 79 -5.998 -14.092 -1.458 1.00 0.00 C ATOM 1145 C HIS A 79 -7.400 -13.599 -1.804 1.00 0.00 C ATOM 1146 O HIS A 79 -8.327 -13.721 -1.004 1.00 0.00 O ATOM 1147 CB HIS A 79 -5.894 -14.355 0.045 1.00 0.00 C ATOM 1148 CG HIS A 79 -4.636 -15.064 0.443 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -4.010 -14.861 1.655 1.00 0.00 N ATOM 1150 CD2 HIS A 79 -3.889 -15.979 -0.217 1.00 0.00 C ATOM 1151 CE1 HIS A 79 -2.930 -15.620 1.722 1.00 0.00 C ATOM 1152 NE2 HIS A 79 -2.835 -16.309 0.599 1.00 0.00 N ATOM 0 H HIS A 79 -4.218 -13.523 -2.409 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.816 -15.023 -1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.950 -13.405 0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.752 -14.948 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.085 -16.376 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.242 -15.669 2.553 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -2.098 -16.978 0.374 1.00 0.00 H new ATOM 1160 N VAL A 80 -7.547 -13.041 -3.002 1.00 0.00 N ATOM 1161 CA VAL A 80 -8.835 -12.530 -3.454 1.00 0.00 C ATOM 1162 C VAL A 80 -9.351 -13.321 -4.651 1.00 0.00 C ATOM 1163 O VAL A 80 -8.752 -14.318 -5.054 1.00 0.00 O ATOM 1164 CB VAL A 80 -8.745 -11.041 -3.837 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -8.457 -10.190 -2.610 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -7.682 -10.829 -4.904 1.00 0.00 C ATOM 0 H VAL A 80 -6.790 -12.932 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.530 -12.642 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.706 -10.731 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.397 -9.141 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.257 -10.319 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.510 -10.499 -2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.632 -9.771 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.714 -11.156 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.937 -11.408 -5.792 1.00 0.00 H new ATOM 1176 N ALA A 81 -10.466 -12.870 -5.216 1.00 0.00 N ATOM 1177 CA ALA A 81 -11.061 -13.534 -6.369 1.00 0.00 C ATOM 1178 C ALA A 81 -10.782 -12.760 -7.653 1.00 0.00 C ATOM 1179 O ALA A 81 -11.134 -11.587 -7.770 1.00 0.00 O ATOM 1180 CB ALA A 81 -12.560 -13.701 -6.166 1.00 0.00 C ATOM 0 H ALA A 81 -10.976 -12.047 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.606 -14.520 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.992 -14.198 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.742 -14.303 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.022 -12.721 -6.042 1.00 0.00 H new ATOM 1186 N ASN A 82 -10.146 -13.425 -8.612 1.00 0.00 N ATOM 1187 CA ASN A 82 -9.819 -12.798 -9.888 1.00 0.00 C ATOM 1188 C ASN A 82 -11.085 -12.439 -10.659 1.00 0.00 C ATOM 1189 O ASN A 82 -11.242 -11.310 -11.124 1.00 0.00 O ATOM 1190 CB ASN A 82 -8.943 -13.730 -10.728 1.00 0.00 C ATOM 1191 CG ASN A 82 -8.231 -12.999 -11.849 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -7.801 -11.857 -11.687 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -8.103 -13.657 -12.996 1.00 0.00 N ATOM 0 H ASN A 82 -9.847 -14.397 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 82 -9.269 -11.880 -9.683 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.205 -14.209 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.561 -14.523 -11.150 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.633 -13.217 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.475 -14.603 -13.086 1.00 0.00 H new ATOM 1200 N ILE A 83 -11.985 -13.408 -10.791 1.00 0.00 N ATOM 1201 CA ILE A 83 -13.238 -13.194 -11.504 1.00 0.00 C ATOM 1202 C ILE A 83 -14.370 -12.861 -10.538 1.00 0.00 C ATOM 1203 O ILE A 83 -14.522 -13.501 -9.498 1.00 0.00 O ATOM 1204 CB ILE A 83 -13.633 -14.430 -12.333 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -13.738 -15.663 -11.432 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -12.623 -14.665 -13.446 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -14.320 -16.872 -12.130 1.00 0.00 C ATOM 0 H ILE A 83 -11.870 -14.349 -10.414 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.078 -12.352 -12.177 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.608 -14.250 -12.786 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.746 -15.913 -11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -14.356 -15.420 -10.567 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.915 -15.542 -14.023 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.593 -13.793 -14.100 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.636 -14.828 -13.013 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.365 -17.708 -11.432 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.325 -16.640 -12.483 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.690 -17.141 -12.978 1.00 0.00 H new ATOM 1219 N VAL A 84 -15.165 -11.855 -10.890 1.00 0.00 N ATOM 1220 CA VAL A 84 -16.286 -11.439 -10.057 1.00 0.00 C ATOM 1221 C VAL A 84 -17.404 -10.836 -10.900 1.00 0.00 C ATOM 1222 O VAL A 84 -17.153 -10.034 -11.799 1.00 0.00 O ATOM 1223 CB VAL A 84 -15.847 -10.411 -8.997 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -14.849 -11.032 -8.032 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -15.258 -9.177 -9.665 1.00 0.00 C ATOM 0 H VAL A 84 -15.053 -11.313 -11.747 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.655 -12.333 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 84 -16.724 -10.105 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -14.550 -10.291 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.310 -11.883 -7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.971 -11.368 -8.583 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.953 -8.461 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -14.391 -9.464 -10.260 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.007 -8.721 -10.312 1.00 0.00 H new ATOM 1235 N GLU A 85 -18.640 -11.228 -10.603 1.00 0.00 N ATOM 1236 CA GLU A 85 -19.796 -10.726 -11.335 1.00 0.00 C ATOM 1237 C GLU A 85 -20.272 -9.396 -10.756 1.00 0.00 C ATOM 1238 O GLU A 85 -20.832 -8.585 -11.491 1.00 0.00 O ATOM 1239 CB GLU A 85 -20.935 -11.748 -11.296 1.00 0.00 C ATOM 1240 CG GLU A 85 -21.572 -11.897 -9.925 1.00 0.00 C ATOM 1241 CD GLU A 85 -22.247 -13.242 -9.739 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -21.593 -14.275 -9.996 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -23.430 -13.263 -9.338 1.00 0.00 O ATOM 0 H GLU A 85 -18.865 -11.891 -9.861 1.00 0.00 H new ATOM 0 HA GLU A 85 -19.496 -10.565 -12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -21.701 -11.453 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.553 -12.717 -11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.808 -11.769 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -22.305 -11.104 -9.781 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 6.253 -4.945 -12.001 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -5.441 0.432 -16.889 1.00 0.00 ZN