USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ -150:sc=-0.00763 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.164 K(o=-0.17,f=0.38) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0931 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 41:sc= 0.66 USER MOD Single : A 9 SER OG : rot 61:sc= 0.00798 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.2!) USER MOD Single : A 25 MET CE :methyl -108:sc= -2.98 (180deg=-6.22!) USER MOD Single : A 26 THR OG1 : rot -66:sc= -0.817 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0352 X(o=-0.035,f=-0.24) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0492 X(o=-0.049,f=-0.086) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 60:sc= 0.36 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.785 46.595 -24.539 1.00 0.00 N ATOM 2 CA GLY A 1 -26.815 45.513 -24.562 1.00 0.00 C ATOM 3 C GLY A 1 -27.353 44.278 -23.837 1.00 0.00 C ATOM 4 O GLY A 1 -28.321 44.369 -23.084 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.202 46.707 -25.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.535 46.374 -23.853 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.312 47.479 -24.262 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.575 45.257 -25.594 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.888 45.841 -24.091 1.00 0.00 H new ATOM 8 N SER A 2 -26.702 43.152 -24.090 1.00 0.00 N ATOM 9 CA SER A 2 -27.103 41.900 -23.471 1.00 0.00 C ATOM 10 C SER A 2 -26.171 40.773 -23.919 1.00 0.00 C ATOM 11 O SER A 2 -25.526 40.873 -24.962 1.00 0.00 O ATOM 12 CB SER A 2 -28.554 41.557 -23.814 1.00 0.00 C ATOM 13 OG SER A 2 -29.303 41.188 -22.658 1.00 0.00 O ATOM 0 H SER A 2 -25.899 43.081 -24.715 1.00 0.00 H new ATOM 0 HA SER A 2 -27.031 42.014 -22.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.026 42.415 -24.293 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.573 40.739 -24.534 1.00 0.00 H new ATOM 0 HG SER A 2 -30.224 40.978 -22.918 1.00 0.00 H new ATOM 19 N SER A 3 -26.130 39.725 -23.108 1.00 0.00 N ATOM 20 CA SER A 3 -25.287 38.580 -23.408 1.00 0.00 C ATOM 21 C SER A 3 -25.403 37.539 -22.293 1.00 0.00 C ATOM 22 O SER A 3 -25.933 37.828 -21.222 1.00 0.00 O ATOM 23 CB SER A 3 -23.828 39.002 -23.590 1.00 0.00 C ATOM 24 OG SER A 3 -23.354 39.772 -22.489 1.00 0.00 O ATOM 0 H SER A 3 -26.667 39.645 -22.244 1.00 0.00 H new ATOM 0 HA SER A 3 -25.629 38.140 -24.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.206 38.115 -23.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.730 39.583 -24.507 1.00 0.00 H new ATOM 0 HG SER A 3 -22.419 40.021 -22.642 1.00 0.00 H new ATOM 30 N GLY A 4 -24.900 36.348 -22.584 1.00 0.00 N ATOM 31 CA GLY A 4 -24.940 35.263 -21.619 1.00 0.00 C ATOM 32 C GLY A 4 -24.153 34.051 -22.124 1.00 0.00 C ATOM 33 O GLY A 4 -23.649 34.057 -23.246 1.00 0.00 O ATOM 0 H GLY A 4 -24.463 36.111 -23.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.525 35.601 -20.669 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.975 34.977 -21.431 1.00 0.00 H new ATOM 37 N SER A 5 -24.073 33.041 -21.271 1.00 0.00 N ATOM 38 CA SER A 5 -23.356 31.825 -21.616 1.00 0.00 C ATOM 39 C SER A 5 -23.438 30.824 -20.462 1.00 0.00 C ATOM 40 O SER A 5 -23.457 31.216 -19.296 1.00 0.00 O ATOM 41 CB SER A 5 -21.895 32.125 -21.956 1.00 0.00 C ATOM 42 OG SER A 5 -21.414 31.304 -23.017 1.00 0.00 O ATOM 0 H SER A 5 -24.493 33.039 -20.341 1.00 0.00 H new ATOM 0 HA SER A 5 -23.824 31.390 -22.499 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.796 33.174 -22.236 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.278 31.972 -21.071 1.00 0.00 H new ATOM 0 HG SER A 5 -20.479 31.527 -23.205 1.00 0.00 H new ATOM 48 N SER A 6 -23.483 29.551 -20.826 1.00 0.00 N ATOM 49 CA SER A 6 -23.562 28.491 -19.836 1.00 0.00 C ATOM 50 C SER A 6 -23.293 27.137 -20.496 1.00 0.00 C ATOM 51 O SER A 6 -23.444 26.992 -21.708 1.00 0.00 O ATOM 52 CB SER A 6 -24.928 28.483 -19.146 1.00 0.00 C ATOM 53 OG SER A 6 -24.817 28.684 -17.740 1.00 0.00 O ATOM 0 H SER A 6 -23.466 29.230 -21.794 1.00 0.00 H new ATOM 0 HA SER A 6 -22.802 28.675 -19.077 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.556 29.264 -19.575 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.426 27.532 -19.338 1.00 0.00 H new ATOM 0 HG SER A 6 -25.710 28.674 -17.337 1.00 0.00 H new ATOM 59 N GLY A 7 -22.899 26.180 -19.669 1.00 0.00 N ATOM 60 CA GLY A 7 -22.607 24.843 -20.157 1.00 0.00 C ATOM 61 C GLY A 7 -22.442 23.859 -18.996 1.00 0.00 C ATOM 62 O GLY A 7 -22.716 24.199 -17.846 1.00 0.00 O ATOM 0 H GLY A 7 -22.775 26.304 -18.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.411 24.507 -20.811 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.696 24.861 -20.755 1.00 0.00 H new ATOM 66 N THR A 8 -21.995 22.660 -19.338 1.00 0.00 N ATOM 67 CA THR A 8 -21.791 21.625 -18.339 1.00 0.00 C ATOM 68 C THR A 8 -20.298 21.343 -18.161 1.00 0.00 C ATOM 69 O THR A 8 -19.632 20.889 -19.091 1.00 0.00 O ATOM 70 CB THR A 8 -22.595 20.394 -18.762 1.00 0.00 C ATOM 71 OG1 THR A 8 -22.067 20.057 -20.042 1.00 0.00 O ATOM 72 CG2 THR A 8 -24.064 20.721 -19.040 1.00 0.00 C ATOM 0 H THR A 8 -21.768 22.382 -20.293 1.00 0.00 H new ATOM 0 HA THR A 8 -22.149 21.944 -17.360 1.00 0.00 H new ATOM 0 HB THR A 8 -22.533 19.635 -17.982 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.092 20.159 -20.031 1.00 0.00 H new ATOM 0 HG21 THR A 8 -24.589 19.813 -19.336 1.00 0.00 H new ATOM 0 HG22 THR A 8 -24.523 21.128 -18.139 1.00 0.00 H new ATOM 0 HG23 THR A 8 -24.128 21.455 -19.843 1.00 0.00 H new ATOM 80 N SER A 9 -19.814 21.624 -16.960 1.00 0.00 N ATOM 81 CA SER A 9 -18.412 21.406 -16.648 1.00 0.00 C ATOM 82 C SER A 9 -18.144 21.744 -15.180 1.00 0.00 C ATOM 83 O SER A 9 -18.988 22.340 -14.512 1.00 0.00 O ATOM 84 CB SER A 9 -17.509 22.241 -17.558 1.00 0.00 C ATOM 85 OG SER A 9 -16.703 21.426 -18.403 1.00 0.00 O ATOM 0 H SER A 9 -20.368 22.001 -16.191 1.00 0.00 H new ATOM 0 HA SER A 9 -18.183 20.354 -16.820 1.00 0.00 H new ATOM 0 HB2 SER A 9 -18.123 22.902 -18.170 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.867 22.876 -16.948 1.00 0.00 H new ATOM 0 HG SER A 9 -17.279 20.884 -18.981 1.00 0.00 H new ATOM 91 N SER A 10 -16.966 21.348 -14.720 1.00 0.00 N ATOM 92 CA SER A 10 -16.576 21.602 -13.344 1.00 0.00 C ATOM 93 C SER A 10 -17.457 20.790 -12.392 1.00 0.00 C ATOM 94 O SER A 10 -18.314 20.026 -12.834 1.00 0.00 O ATOM 95 CB SER A 10 -16.669 23.092 -13.010 1.00 0.00 C ATOM 96 OG SER A 10 -15.693 23.486 -12.050 1.00 0.00 O ATOM 0 H SER A 10 -16.269 20.853 -15.276 1.00 0.00 H new ATOM 0 HA SER A 10 -15.538 21.294 -13.221 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.538 23.676 -13.921 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.665 23.316 -12.628 1.00 0.00 H new ATOM 0 HG SER A 10 -15.784 24.444 -11.865 1.00 0.00 H new ATOM 102 N ASN A 11 -17.216 20.982 -11.104 1.00 0.00 N ATOM 103 CA ASN A 11 -17.976 20.277 -10.086 1.00 0.00 C ATOM 104 C ASN A 11 -17.784 18.769 -10.266 1.00 0.00 C ATOM 105 O ASN A 11 -18.402 18.161 -11.138 1.00 0.00 O ATOM 106 CB ASN A 11 -19.471 20.581 -10.206 1.00 0.00 C ATOM 107 CG ASN A 11 -20.217 20.174 -8.934 1.00 0.00 C ATOM 108 OD1 ASN A 11 -19.757 19.365 -8.145 1.00 0.00 O ATOM 109 ND2 ASN A 11 -21.392 20.778 -8.780 1.00 0.00 N ATOM 0 H ASN A 11 -16.504 21.616 -10.741 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.618 20.605 -9.110 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.616 21.645 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.886 20.049 -11.062 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -21.967 20.574 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -21.718 21.446 -9.479 1.00 0.00 H new ATOM 116 N PRO A 12 -16.903 18.196 -9.404 1.00 0.00 N ATOM 117 CA PRO A 12 -16.622 16.771 -9.459 1.00 0.00 C ATOM 118 C PRO A 12 -17.778 15.961 -8.869 1.00 0.00 C ATOM 119 O PRO A 12 -17.583 15.182 -7.937 1.00 0.00 O ATOM 120 CB PRO A 12 -15.322 16.597 -8.691 1.00 0.00 C ATOM 121 CG PRO A 12 -15.167 17.849 -7.843 1.00 0.00 C ATOM 122 CD PRO A 12 -16.152 18.885 -8.358 1.00 0.00 C ATOM 0 HA PRO A 12 -16.519 16.401 -10.479 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.354 15.704 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.479 16.480 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.361 17.626 -6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.147 18.228 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.811 19.235 -7.563 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.636 19.760 -8.752 1.00 0.00 H new ATOM 130 N VAL A 13 -18.956 16.173 -9.437 1.00 0.00 N ATOM 131 CA VAL A 13 -20.144 15.472 -8.979 1.00 0.00 C ATOM 132 C VAL A 13 -20.599 14.488 -10.059 1.00 0.00 C ATOM 133 O VAL A 13 -20.235 14.630 -11.226 1.00 0.00 O ATOM 134 CB VAL A 13 -21.229 16.479 -8.592 1.00 0.00 C ATOM 135 CG1 VAL A 13 -22.022 16.930 -9.821 1.00 0.00 C ATOM 136 CG2 VAL A 13 -22.158 15.900 -7.523 1.00 0.00 C ATOM 0 H VAL A 13 -19.113 16.820 -10.210 1.00 0.00 H new ATOM 0 HA VAL A 13 -19.923 14.892 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.737 17.356 -8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.787 17.645 -9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.348 17.401 -10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.497 16.066 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -22.920 16.636 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -22.638 15.000 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.579 15.651 -6.634 1.00 0.00 H new ATOM 146 N LEU A 14 -21.388 13.513 -9.633 1.00 0.00 N ATOM 147 CA LEU A 14 -21.896 12.507 -10.549 1.00 0.00 C ATOM 148 C LEU A 14 -20.726 11.695 -11.109 1.00 0.00 C ATOM 149 O LEU A 14 -20.109 12.089 -12.097 1.00 0.00 O ATOM 150 CB LEU A 14 -22.767 13.155 -11.627 1.00 0.00 C ATOM 151 CG LEU A 14 -24.269 13.200 -11.340 1.00 0.00 C ATOM 152 CD1 LEU A 14 -24.933 14.368 -12.071 1.00 0.00 C ATOM 153 CD2 LEU A 14 -24.932 11.862 -11.675 1.00 0.00 C ATOM 0 H LEU A 14 -21.688 13.398 -8.665 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.547 11.808 -10.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.417 14.175 -11.784 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.612 12.617 -12.562 1.00 0.00 H new ATOM 0 HG LEU A 14 -24.407 13.369 -10.272 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -26.000 14.376 -11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.486 15.306 -11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.786 14.256 -13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -25.999 11.921 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -24.785 11.637 -12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -24.485 11.073 -11.071 1.00 0.00 H new ATOM 165 N GLU A 15 -20.455 10.577 -10.452 1.00 0.00 N ATOM 166 CA GLU A 15 -19.370 9.707 -10.871 1.00 0.00 C ATOM 167 C GLU A 15 -19.859 8.260 -10.974 1.00 0.00 C ATOM 168 O GLU A 15 -20.959 7.940 -10.527 1.00 0.00 O ATOM 169 CB GLU A 15 -18.179 9.817 -9.917 1.00 0.00 C ATOM 170 CG GLU A 15 -17.356 11.073 -10.211 1.00 0.00 C ATOM 171 CD GLU A 15 -16.265 10.785 -11.245 1.00 0.00 C ATOM 172 OE1 GLU A 15 -16.597 10.839 -12.449 1.00 0.00 O ATOM 173 OE2 GLU A 15 -15.125 10.518 -10.807 1.00 0.00 O ATOM 0 H GLU A 15 -20.968 10.254 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.034 10.027 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -18.535 9.844 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.548 8.933 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.011 11.863 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.902 11.438 -9.290 1.00 0.00 H new ATOM 180 N LEU A 16 -19.017 7.426 -11.565 1.00 0.00 N ATOM 181 CA LEU A 16 -19.349 6.021 -11.732 1.00 0.00 C ATOM 182 C LEU A 16 -18.067 5.188 -11.676 1.00 0.00 C ATOM 183 O LEU A 16 -17.273 5.200 -12.616 1.00 0.00 O ATOM 184 CB LEU A 16 -20.164 5.811 -13.010 1.00 0.00 C ATOM 185 CG LEU A 16 -21.682 5.933 -12.864 1.00 0.00 C ATOM 186 CD1 LEU A 16 -22.345 6.175 -14.222 1.00 0.00 C ATOM 187 CD2 LEU A 16 -22.264 4.710 -12.152 1.00 0.00 C ATOM 0 H LEU A 16 -18.105 7.696 -11.934 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.986 5.681 -10.916 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -19.831 6.536 -13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.935 4.821 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 16 -21.897 6.801 -12.241 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -23.424 6.258 -14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.960 7.098 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -22.124 5.341 -14.889 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -23.344 4.822 -12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -22.039 3.812 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -21.823 4.623 -11.159 1.00 0.00 H new ATOM 199 N GLU A 17 -17.904 4.484 -10.566 1.00 0.00 N ATOM 200 CA GLU A 17 -16.732 3.647 -10.376 1.00 0.00 C ATOM 201 C GLU A 17 -16.866 2.354 -11.184 1.00 0.00 C ATOM 202 O GLU A 17 -17.944 2.041 -11.687 1.00 0.00 O ATOM 203 CB GLU A 17 -16.508 3.346 -8.893 1.00 0.00 C ATOM 204 CG GLU A 17 -15.871 4.541 -8.181 1.00 0.00 C ATOM 205 CD GLU A 17 -16.551 4.803 -6.835 1.00 0.00 C ATOM 206 OE1 GLU A 17 -16.994 3.809 -6.220 1.00 0.00 O ATOM 207 OE2 GLU A 17 -16.611 5.991 -6.452 1.00 0.00 O ATOM 0 H GLU A 17 -18.564 4.476 -9.789 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.859 4.190 -10.739 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.459 3.101 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.866 2.471 -8.789 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.809 4.352 -8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.948 5.428 -8.810 1.00 0.00 H new ATOM 214 N LEU A 18 -15.756 1.638 -11.283 1.00 0.00 N ATOM 215 CA LEU A 18 -15.736 0.386 -12.021 1.00 0.00 C ATOM 216 C LEU A 18 -14.533 -0.446 -11.572 1.00 0.00 C ATOM 217 O LEU A 18 -13.614 0.074 -10.942 1.00 0.00 O ATOM 218 CB LEU A 18 -15.772 0.652 -13.527 1.00 0.00 C ATOM 219 CG LEU A 18 -16.695 -0.253 -14.346 1.00 0.00 C ATOM 220 CD1 LEU A 18 -18.066 0.396 -14.543 1.00 0.00 C ATOM 221 CD2 LEU A 18 -16.046 -0.638 -15.677 1.00 0.00 C ATOM 0 H LEU A 18 -14.864 1.901 -10.865 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.629 -0.200 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.076 1.687 -13.686 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -14.759 0.554 -13.918 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.853 -1.175 -13.787 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.702 -0.268 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.526 0.576 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.948 1.343 -15.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.723 -1.281 -16.239 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.838 0.263 -16.254 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.114 -1.170 -15.487 1.00 0.00 H new ATOM 233 N ALA A 19 -14.579 -1.725 -11.914 1.00 0.00 N ATOM 234 CA ALA A 19 -13.504 -2.635 -11.554 1.00 0.00 C ATOM 235 C ALA A 19 -13.382 -3.722 -12.625 1.00 0.00 C ATOM 236 O ALA A 19 -13.837 -3.540 -13.753 1.00 0.00 O ATOM 237 CB ALA A 19 -13.770 -3.214 -10.163 1.00 0.00 C ATOM 0 H ALA A 19 -15.343 -2.153 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.552 -2.107 -11.510 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.964 -3.896 -9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.819 -2.404 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.717 -3.755 -10.169 1.00 0.00 H new ATOM 243 N GLU A 20 -12.766 -4.827 -12.233 1.00 0.00 N ATOM 244 CA GLU A 20 -12.578 -5.943 -13.144 1.00 0.00 C ATOM 245 C GLU A 20 -11.672 -5.532 -14.307 1.00 0.00 C ATOM 246 O GLU A 20 -11.365 -4.352 -14.472 1.00 0.00 O ATOM 247 CB GLU A 20 -13.922 -6.466 -13.655 1.00 0.00 C ATOM 248 CG GLU A 20 -13.939 -7.995 -13.687 1.00 0.00 C ATOM 249 CD GLU A 20 -14.964 -8.511 -14.699 1.00 0.00 C ATOM 250 OE1 GLU A 20 -14.732 -8.285 -15.906 1.00 0.00 O ATOM 251 OE2 GLU A 20 -15.955 -9.120 -14.243 1.00 0.00 O ATOM 0 H GLU A 20 -12.390 -4.974 -11.296 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.093 -6.753 -12.600 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.725 -6.103 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.112 -6.076 -14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.948 -8.368 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.176 -8.380 -12.695 1.00 0.00 H new ATOM 258 N GLU A 21 -11.270 -6.527 -15.083 1.00 0.00 N ATOM 259 CA GLU A 21 -10.406 -6.284 -16.225 1.00 0.00 C ATOM 260 C GLU A 21 -9.340 -5.245 -15.872 1.00 0.00 C ATOM 261 O GLU A 21 -8.888 -4.495 -16.737 1.00 0.00 O ATOM 262 CB GLU A 21 -11.219 -5.844 -17.444 1.00 0.00 C ATOM 263 CG GLU A 21 -10.365 -5.877 -18.713 1.00 0.00 C ATOM 264 CD GLU A 21 -11.161 -6.436 -19.895 1.00 0.00 C ATOM 265 OE1 GLU A 21 -11.999 -7.330 -19.642 1.00 0.00 O ATOM 266 OE2 GLU A 21 -10.914 -5.958 -21.023 1.00 0.00 O ATOM 0 H GLU A 21 -11.527 -7.504 -14.943 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.905 -7.217 -16.482 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.082 -6.498 -17.565 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.602 -4.836 -17.285 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.017 -4.871 -18.948 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.479 -6.490 -18.544 1.00 0.00 H new ATOM 273 N LYS A 22 -8.969 -5.232 -14.600 1.00 0.00 N ATOM 274 CA LYS A 22 -7.965 -4.297 -14.122 1.00 0.00 C ATOM 275 C LYS A 22 -6.755 -4.333 -15.058 1.00 0.00 C ATOM 276 O LYS A 22 -6.676 -5.182 -15.945 1.00 0.00 O ATOM 277 CB LYS A 22 -7.620 -4.583 -12.660 1.00 0.00 C ATOM 278 CG LYS A 22 -6.820 -5.881 -12.528 1.00 0.00 C ATOM 279 CD LYS A 22 -6.135 -5.968 -11.163 1.00 0.00 C ATOM 280 CE LYS A 22 -5.544 -7.360 -10.933 1.00 0.00 C ATOM 281 NZ LYS A 22 -6.027 -7.924 -9.653 1.00 0.00 N ATOM 0 H LYS A 22 -9.346 -5.855 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.353 -3.279 -14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.044 -3.754 -12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.536 -4.655 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.483 -6.736 -12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.071 -5.933 -13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.346 -5.219 -11.100 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.854 -5.740 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.821 -8.020 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.456 -7.302 -10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.304 -8.559 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.213 -7.152 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.904 -8.458 -9.818 1.00 0.00 H new ATOM 295 N LEU A 23 -5.842 -3.400 -14.828 1.00 0.00 N ATOM 296 CA LEU A 23 -4.640 -3.314 -15.640 1.00 0.00 C ATOM 297 C LEU A 23 -3.500 -4.052 -14.935 1.00 0.00 C ATOM 298 O LEU A 23 -3.534 -4.239 -13.719 1.00 0.00 O ATOM 299 CB LEU A 23 -4.318 -1.855 -15.968 1.00 0.00 C ATOM 300 CG LEU A 23 -4.989 -1.285 -17.219 1.00 0.00 C ATOM 301 CD1 LEU A 23 -5.919 -0.124 -16.862 1.00 0.00 C ATOM 302 CD2 LEU A 23 -3.948 -0.884 -18.266 1.00 0.00 C ATOM 0 H LEU A 23 -5.911 -2.698 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.793 -3.806 -16.601 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.603 -1.240 -15.115 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.238 -1.759 -16.083 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.606 -2.067 -17.662 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.383 0.263 -17.769 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.693 -0.475 -16.180 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.344 0.668 -16.382 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.452 -0.482 -19.145 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.286 -0.125 -17.849 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.363 -1.759 -18.551 1.00 0.00 H new ATOM 314 N PRO A 24 -2.490 -4.462 -15.748 1.00 0.00 N ATOM 315 CA PRO A 24 -1.342 -5.175 -15.215 1.00 0.00 C ATOM 316 C PRO A 24 -0.402 -4.223 -14.471 1.00 0.00 C ATOM 317 O PRO A 24 -0.779 -3.095 -14.155 1.00 0.00 O ATOM 318 CB PRO A 24 -0.690 -5.829 -16.422 1.00 0.00 C ATOM 319 CG PRO A 24 -1.220 -5.085 -17.637 1.00 0.00 C ATOM 320 CD PRO A 24 -2.415 -4.258 -17.192 1.00 0.00 C ATOM 0 HA PRO A 24 -1.620 -5.924 -14.474 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.396 -5.759 -16.365 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.939 -6.889 -16.474 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.447 -4.443 -18.059 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.511 -5.788 -18.418 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.281 -3.204 -17.437 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.330 -4.586 -17.686 1.00 0.00 H new ATOM 328 N MET A 25 0.802 -4.712 -14.215 1.00 0.00 N ATOM 329 CA MET A 25 1.798 -3.919 -13.514 1.00 0.00 C ATOM 330 C MET A 25 2.111 -2.632 -14.279 1.00 0.00 C ATOM 331 O MET A 25 2.550 -2.679 -15.428 1.00 0.00 O ATOM 332 CB MET A 25 3.079 -4.739 -13.348 1.00 0.00 C ATOM 333 CG MET A 25 3.104 -5.449 -11.993 1.00 0.00 C ATOM 334 SD MET A 25 4.787 -5.626 -11.427 1.00 0.00 S ATOM 335 CE MET A 25 4.536 -6.730 -10.047 1.00 0.00 C ATOM 0 H MET A 25 1.111 -5.647 -14.480 1.00 0.00 H new ATOM 0 HA MET A 25 1.399 -3.650 -12.536 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.151 -5.474 -14.149 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.947 -4.086 -13.436 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.525 -4.881 -11.265 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.635 -6.429 -12.078 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.678 -6.184 -9.114 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.523 -7.132 -10.082 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.253 -7.549 -10.101 1.00 0.00 H new ATOM 345 N THR A 26 1.873 -1.512 -13.612 1.00 0.00 N ATOM 346 CA THR A 26 2.124 -0.214 -14.215 1.00 0.00 C ATOM 347 C THR A 26 3.317 0.466 -13.539 1.00 0.00 C ATOM 348 O THR A 26 4.071 1.192 -14.186 1.00 0.00 O ATOM 349 CB THR A 26 0.833 0.603 -14.135 1.00 0.00 C ATOM 350 OG1 THR A 26 0.765 1.011 -12.771 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.417 -0.258 -14.329 1.00 0.00 C ATOM 0 H THR A 26 1.509 -1.477 -12.660 1.00 0.00 H new ATOM 0 HA THR A 26 2.398 -0.312 -15.265 1.00 0.00 H new ATOM 0 HB THR A 26 0.853 1.389 -14.890 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.634 0.225 -12.201 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.305 0.370 -14.263 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.382 -0.735 -15.308 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.456 -1.023 -13.554 1.00 0.00 H new ATOM 359 N LEU A 27 3.450 0.208 -12.247 1.00 0.00 N ATOM 360 CA LEU A 27 4.538 0.786 -11.476 1.00 0.00 C ATOM 361 C LEU A 27 5.564 -0.302 -11.154 1.00 0.00 C ATOM 362 O LEU A 27 5.197 -1.414 -10.775 1.00 0.00 O ATOM 363 CB LEU A 27 3.995 1.505 -10.239 1.00 0.00 C ATOM 364 CG LEU A 27 2.682 2.267 -10.429 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.042 2.600 -9.080 1.00 0.00 C ATOM 366 CD2 LEU A 27 2.892 3.516 -11.287 1.00 0.00 C ATOM 0 H LEU A 27 2.822 -0.394 -11.714 1.00 0.00 H new ATOM 0 HA LEU A 27 5.054 1.549 -12.059 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.854 0.769 -9.448 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.752 2.207 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 27 1.987 1.621 -10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.110 3.142 -9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.835 1.677 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.724 3.219 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.943 4.039 -11.406 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.611 4.175 -10.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.272 3.225 -12.266 1.00 0.00 H new ATOM 378 N SER A 28 6.829 0.055 -11.316 1.00 0.00 N ATOM 379 CA SER A 28 7.910 -0.877 -11.047 1.00 0.00 C ATOM 380 C SER A 28 8.115 -1.020 -9.537 1.00 0.00 C ATOM 381 O SER A 28 7.679 -0.168 -8.765 1.00 0.00 O ATOM 382 CB SER A 28 9.209 -0.423 -11.717 1.00 0.00 C ATOM 383 OG SER A 28 9.028 -0.157 -13.105 1.00 0.00 O ATOM 0 H SER A 28 7.130 0.978 -11.630 1.00 0.00 H new ATOM 0 HA SER A 28 7.637 -1.846 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.579 0.474 -11.221 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.970 -1.193 -11.591 1.00 0.00 H new ATOM 0 HG SER A 28 9.879 0.132 -13.496 1.00 0.00 H new ATOM 389 N ARG A 29 8.777 -2.104 -9.162 1.00 0.00 N ATOM 390 CA ARG A 29 9.045 -2.370 -7.759 1.00 0.00 C ATOM 391 C ARG A 29 9.420 -1.075 -7.036 1.00 0.00 C ATOM 392 O ARG A 29 8.771 -0.693 -6.063 1.00 0.00 O ATOM 393 CB ARG A 29 10.179 -3.384 -7.596 1.00 0.00 C ATOM 394 CG ARG A 29 11.338 -3.067 -8.543 1.00 0.00 C ATOM 395 CD ARG A 29 11.906 -4.345 -9.162 1.00 0.00 C ATOM 396 NE ARG A 29 13.197 -4.686 -8.524 1.00 0.00 N ATOM 397 CZ ARG A 29 14.120 -5.487 -9.075 1.00 0.00 C ATOM 398 NH1 ARG A 29 13.899 -6.034 -10.278 1.00 0.00 N ATOM 399 NH2 ARG A 29 15.262 -5.740 -8.422 1.00 0.00 N ATOM 0 H ARG A 29 9.136 -2.809 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 29 8.137 -2.785 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.534 -3.375 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.805 -4.388 -7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.995 -2.398 -9.332 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.123 -2.542 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.200 -5.166 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.046 -4.209 -10.234 1.00 0.00 H new ATOM 0 HE ARG A 29 13.397 -4.286 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.029 -5.841 -10.774 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.601 -6.644 -10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.429 -5.323 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.965 -6.349 -8.841 1.00 0.00 H new ATOM 413 N GLN A 30 10.466 -0.436 -7.538 1.00 0.00 N ATOM 414 CA GLN A 30 10.935 0.808 -6.952 1.00 0.00 C ATOM 415 C GLN A 30 9.792 1.822 -6.872 1.00 0.00 C ATOM 416 O GLN A 30 9.573 2.434 -5.828 1.00 0.00 O ATOM 417 CB GLN A 30 12.116 1.375 -7.743 1.00 0.00 C ATOM 418 CG GLN A 30 13.216 1.874 -6.803 1.00 0.00 C ATOM 419 CD GLN A 30 14.582 1.321 -7.215 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.750 0.141 -7.476 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.545 2.237 -7.258 1.00 0.00 N ATOM 0 H GLN A 30 11.002 -0.756 -8.344 1.00 0.00 H new ATOM 0 HA GLN A 30 11.283 0.602 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.518 0.607 -8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.775 2.194 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.242 2.964 -6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.990 1.571 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.336 3.208 -7.027 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.493 1.968 -7.522 1.00 0.00 H new ATOM 430 N GLU A 31 9.094 1.968 -7.989 1.00 0.00 N ATOM 431 CA GLU A 31 7.978 2.896 -8.058 1.00 0.00 C ATOM 432 C GLU A 31 6.946 2.568 -6.977 1.00 0.00 C ATOM 433 O GLU A 31 6.172 3.433 -6.570 1.00 0.00 O ATOM 434 CB GLU A 31 7.339 2.884 -9.448 1.00 0.00 C ATOM 435 CG GLU A 31 6.443 4.107 -9.650 1.00 0.00 C ATOM 436 CD GLU A 31 7.278 5.376 -9.828 1.00 0.00 C ATOM 437 OE1 GLU A 31 7.792 5.564 -10.952 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.384 6.129 -8.837 1.00 0.00 O ATOM 0 H GLU A 31 9.280 1.459 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 31 8.357 3.902 -7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.118 2.870 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.752 1.974 -9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.810 3.958 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.779 4.221 -8.793 1.00 0.00 H new ATOM 445 N VAL A 32 6.969 1.317 -6.543 1.00 0.00 N ATOM 446 CA VAL A 32 6.045 0.863 -5.517 1.00 0.00 C ATOM 447 C VAL A 32 6.719 0.967 -4.147 1.00 0.00 C ATOM 448 O VAL A 32 6.052 1.184 -3.138 1.00 0.00 O ATOM 449 CB VAL A 32 5.559 -0.551 -5.839 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.718 -1.116 -4.692 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.779 -0.577 -7.155 1.00 0.00 C ATOM 0 H VAL A 32 7.613 0.603 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 32 5.160 1.498 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 32 6.436 -1.188 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.385 -2.122 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.319 -1.152 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.850 -0.477 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.445 -1.594 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.913 0.081 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.422 -0.236 -7.966 1.00 0.00 H new ATOM 461 N ILE A 33 8.034 0.805 -4.157 1.00 0.00 N ATOM 462 CA ILE A 33 8.806 0.878 -2.929 1.00 0.00 C ATOM 463 C ILE A 33 8.897 2.336 -2.473 1.00 0.00 C ATOM 464 O ILE A 33 8.844 2.621 -1.278 1.00 0.00 O ATOM 465 CB ILE A 33 10.168 0.205 -3.111 1.00 0.00 C ATOM 466 CG1 ILE A 33 10.015 -1.309 -3.267 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.118 0.570 -1.968 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.327 -1.949 -3.727 1.00 0.00 C ATOM 0 H ILE A 33 8.584 0.623 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 33 8.307 0.326 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 33 10.614 0.581 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.706 -1.747 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.228 -1.526 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.079 0.078 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.263 1.650 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.690 0.242 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.190 -3.025 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.620 -1.527 -4.688 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.106 -1.751 -2.991 1.00 0.00 H new ATOM 480 N ARG A 34 9.031 3.220 -3.450 1.00 0.00 N ATOM 481 CA ARG A 34 9.130 4.641 -3.165 1.00 0.00 C ATOM 482 C ARG A 34 7.950 5.092 -2.301 1.00 0.00 C ATOM 483 O ARG A 34 8.123 5.413 -1.126 1.00 0.00 O ATOM 484 CB ARG A 34 9.150 5.462 -4.456 1.00 0.00 C ATOM 485 CG ARG A 34 10.030 6.705 -4.301 1.00 0.00 C ATOM 486 CD ARG A 34 10.223 7.410 -5.645 1.00 0.00 C ATOM 487 NE ARG A 34 11.503 8.154 -5.647 1.00 0.00 N ATOM 488 CZ ARG A 34 11.778 9.173 -6.472 1.00 0.00 C ATOM 489 NH1 ARG A 34 10.865 9.577 -7.366 1.00 0.00 N ATOM 490 NH2 ARG A 34 12.966 9.789 -6.402 1.00 0.00 N ATOM 0 H ARG A 34 9.073 2.980 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 34 10.064 4.807 -2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.522 4.848 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.135 5.761 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.574 7.392 -3.588 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.000 6.420 -3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.217 6.678 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.395 8.094 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 34 12.220 7.873 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.960 9.109 -7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.075 10.353 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.660 9.482 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.176 10.565 -7.030 1.00 0.00 H new ATOM 504 N ARG A 35 6.777 5.102 -2.916 1.00 0.00 N ATOM 505 CA ARG A 35 5.569 5.508 -2.219 1.00 0.00 C ATOM 506 C ARG A 35 5.463 4.783 -0.875 1.00 0.00 C ATOM 507 O ARG A 35 5.499 5.416 0.180 1.00 0.00 O ATOM 508 CB ARG A 35 4.322 5.205 -3.053 1.00 0.00 C ATOM 509 CG ARG A 35 4.172 6.208 -4.198 1.00 0.00 C ATOM 510 CD ARG A 35 3.947 5.490 -5.530 1.00 0.00 C ATOM 511 NE ARG A 35 3.396 6.434 -6.528 1.00 0.00 N ATOM 512 CZ ARG A 35 4.122 7.366 -7.160 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.431 7.486 -6.902 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.537 8.180 -8.050 1.00 0.00 N ATOM 0 H ARG A 35 6.637 4.835 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 35 5.628 6.584 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.386 4.194 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.438 5.239 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.334 6.875 -3.994 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.066 6.829 -4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.887 5.074 -5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.261 4.654 -5.391 1.00 0.00 H new ATOM 0 HE ARG A 35 2.402 6.371 -6.748 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.876 6.867 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.983 8.196 -7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.540 8.090 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.089 8.890 -8.532 1.00 0.00 H new ATOM 528 N LEU A 36 5.335 3.467 -0.957 1.00 0.00 N ATOM 529 CA LEU A 36 5.224 2.650 0.240 1.00 0.00 C ATOM 530 C LEU A 36 6.169 3.194 1.313 1.00 0.00 C ATOM 531 O LEU A 36 5.752 3.447 2.442 1.00 0.00 O ATOM 532 CB LEU A 36 5.457 1.176 -0.095 1.00 0.00 C ATOM 533 CG LEU A 36 4.371 0.499 -0.934 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.807 -0.902 -1.368 1.00 0.00 C ATOM 535 CD2 LEU A 36 3.035 0.479 -0.189 1.00 0.00 C ATOM 0 H LEU A 36 5.306 2.946 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 36 4.214 2.705 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.405 1.090 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.564 0.624 0.839 1.00 0.00 H new ATOM 0 HG LEU A 36 4.225 1.086 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.017 -1.361 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.716 -0.831 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.999 -1.513 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.281 -0.008 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.148 -0.071 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.723 1.501 0.027 1.00 0.00 H new ATOM 547 N ARG A 37 7.425 3.358 0.922 1.00 0.00 N ATOM 548 CA ARG A 37 8.433 3.867 1.837 1.00 0.00 C ATOM 549 C ARG A 37 8.035 5.253 2.347 1.00 0.00 C ATOM 550 O ARG A 37 7.883 5.456 3.551 1.00 0.00 O ATOM 551 CB ARG A 37 9.800 3.955 1.156 1.00 0.00 C ATOM 552 CG ARG A 37 10.603 2.670 1.370 1.00 0.00 C ATOM 553 CD ARG A 37 12.106 2.951 1.339 1.00 0.00 C ATOM 554 NE ARG A 37 12.847 1.813 1.926 1.00 0.00 N ATOM 555 CZ ARG A 37 14.169 1.635 1.808 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.906 2.521 1.123 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.756 0.572 2.375 1.00 0.00 N ATOM 0 H ARG A 37 7.767 3.147 -0.016 1.00 0.00 H new ATOM 0 HA ARG A 37 8.501 3.173 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.668 4.132 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.354 4.805 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.333 2.223 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.349 1.945 0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.432 3.117 0.312 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.325 3.863 1.894 1.00 0.00 H new ATOM 0 HE ARG A 37 12.317 1.120 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.460 3.331 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.913 2.386 1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.196 -0.102 2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.763 0.437 2.285 1.00 0.00 H new ATOM 571 N GLU A 38 7.877 6.172 1.406 1.00 0.00 N ATOM 572 CA GLU A 38 7.499 7.534 1.745 1.00 0.00 C ATOM 573 C GLU A 38 6.251 7.534 2.630 1.00 0.00 C ATOM 574 O GLU A 38 6.079 8.418 3.467 1.00 0.00 O ATOM 575 CB GLU A 38 7.277 8.372 0.484 1.00 0.00 C ATOM 576 CG GLU A 38 8.598 8.625 -0.245 1.00 0.00 C ATOM 577 CD GLU A 38 9.029 10.087 -0.107 1.00 0.00 C ATOM 578 OE1 GLU A 38 9.548 10.426 0.978 1.00 0.00 O ATOM 579 OE2 GLU A 38 8.829 10.832 -1.091 1.00 0.00 O ATOM 0 H GLU A 38 8.004 6.000 0.409 1.00 0.00 H new ATOM 0 HA GLU A 38 8.317 7.989 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.583 7.858 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.817 9.323 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.372 7.974 0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.490 8.372 -1.300 1.00 0.00 H new ATOM 586 N ARG A 39 5.412 6.531 2.414 1.00 0.00 N ATOM 587 CA ARG A 39 4.184 6.404 3.182 1.00 0.00 C ATOM 588 C ARG A 39 4.462 5.708 4.515 1.00 0.00 C ATOM 589 O ARG A 39 3.678 5.825 5.456 1.00 0.00 O ATOM 590 CB ARG A 39 3.131 5.608 2.408 1.00 0.00 C ATOM 591 CG ARG A 39 2.887 6.220 1.027 1.00 0.00 C ATOM 592 CD ARG A 39 1.438 6.691 0.885 1.00 0.00 C ATOM 593 NE ARG A 39 1.403 8.049 0.299 1.00 0.00 N ATOM 594 CZ ARG A 39 1.592 9.175 1.000 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.830 9.112 2.317 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.542 10.364 0.385 1.00 0.00 N ATOM 0 H ARG A 39 5.558 5.799 1.719 1.00 0.00 H new ATOM 0 HA ARG A 39 3.802 7.408 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.459 4.574 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.198 5.589 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.563 7.061 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.112 5.485 0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.882 5.999 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.951 6.694 1.860 1.00 0.00 H new ATOM 0 HE ARG A 39 1.224 8.133 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.867 8.207 2.786 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.974 9.969 2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.360 10.412 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.686 11.221 0.919 1.00 0.00 H new ATOM 610 N GLY A 40 5.580 4.999 4.555 1.00 0.00 N ATOM 611 CA GLY A 40 5.971 4.284 5.758 1.00 0.00 C ATOM 612 C GLY A 40 5.458 2.843 5.730 1.00 0.00 C ATOM 613 O GLY A 40 5.565 2.123 6.722 1.00 0.00 O ATOM 0 H GLY A 40 6.228 4.904 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.057 4.285 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.577 4.797 6.635 1.00 0.00 H new ATOM 617 N GLU A 41 4.913 2.464 4.584 1.00 0.00 N ATOM 618 CA GLU A 41 4.383 1.122 4.414 1.00 0.00 C ATOM 619 C GLU A 41 5.521 0.129 4.172 1.00 0.00 C ATOM 620 O GLU A 41 6.601 0.513 3.724 1.00 0.00 O ATOM 621 CB GLU A 41 3.363 1.075 3.275 1.00 0.00 C ATOM 622 CG GLU A 41 2.285 2.146 3.459 1.00 0.00 C ATOM 623 CD GLU A 41 0.994 1.535 4.008 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.680 0.400 3.587 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.351 2.216 4.835 1.00 0.00 O ATOM 0 H GLU A 41 4.827 3.063 3.763 1.00 0.00 H new ATOM 0 HA GLU A 41 3.867 0.837 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.870 1.224 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.899 0.089 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.645 2.917 4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.084 2.633 2.505 1.00 0.00 H new ATOM 632 N PRO A 42 5.234 -1.163 4.486 1.00 0.00 N ATOM 633 CA PRO A 42 6.221 -2.214 4.307 1.00 0.00 C ATOM 634 C PRO A 42 6.379 -2.572 2.828 1.00 0.00 C ATOM 635 O PRO A 42 5.420 -2.995 2.183 1.00 0.00 O ATOM 636 CB PRO A 42 5.717 -3.374 5.150 1.00 0.00 C ATOM 637 CG PRO A 42 4.242 -3.101 5.395 1.00 0.00 C ATOM 638 CD PRO A 42 3.967 -1.655 5.018 1.00 0.00 C ATOM 0 HA PRO A 42 7.219 -1.913 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.858 -4.323 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.264 -3.440 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.625 -3.775 4.800 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.990 -3.278 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.172 -1.584 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.649 -1.074 5.883 1.00 0.00 H new ATOM 646 N ILE A 43 7.594 -2.391 2.334 1.00 0.00 N ATOM 647 CA ILE A 43 7.889 -2.690 0.943 1.00 0.00 C ATOM 648 C ILE A 43 7.672 -4.183 0.690 1.00 0.00 C ATOM 649 O ILE A 43 7.571 -4.613 -0.457 1.00 0.00 O ATOM 650 CB ILE A 43 9.292 -2.201 0.576 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.357 -2.909 1.417 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.390 -0.679 0.691 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.663 -3.058 0.635 1.00 0.00 C ATOM 0 H ILE A 43 8.387 -2.041 2.872 1.00 0.00 H new ATOM 0 HA ILE A 43 7.207 -2.152 0.284 1.00 0.00 H new ATOM 0 HB ILE A 43 9.481 -2.458 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.539 -2.344 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.994 -3.892 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.397 -0.358 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.671 -0.216 0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.172 -0.377 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.403 -3.564 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.483 -3.644 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.036 -2.072 0.358 1.00 0.00 H new ATOM 665 N ARG A 44 7.607 -4.932 1.781 1.00 0.00 N ATOM 666 CA ARG A 44 7.404 -6.368 1.692 1.00 0.00 C ATOM 667 C ARG A 44 6.619 -6.870 2.905 1.00 0.00 C ATOM 668 O ARG A 44 7.163 -6.970 4.004 1.00 0.00 O ATOM 669 CB ARG A 44 8.740 -7.110 1.616 1.00 0.00 C ATOM 670 CG ARG A 44 8.535 -8.568 1.200 1.00 0.00 C ATOM 671 CD ARG A 44 7.826 -8.657 -0.153 1.00 0.00 C ATOM 672 NE ARG A 44 8.574 -9.558 -1.058 1.00 0.00 N ATOM 673 CZ ARG A 44 8.500 -9.510 -2.395 1.00 0.00 C ATOM 674 NH1 ARG A 44 7.712 -8.605 -2.990 1.00 0.00 N ATOM 675 NH2 ARG A 44 9.214 -10.368 -3.137 1.00 0.00 N ATOM 0 H ARG A 44 7.691 -4.571 2.731 1.00 0.00 H new ATOM 0 HA ARG A 44 6.839 -6.566 0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.396 -6.613 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.237 -7.071 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.499 -9.073 1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.948 -9.087 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.810 -9.027 -0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.747 -7.665 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 44 9.184 -10.259 -0.638 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.168 -7.952 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.656 -8.568 -4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.814 -11.058 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.158 -10.331 -4.155 1.00 0.00 H new ATOM 689 N LEU A 45 5.351 -7.172 2.665 1.00 0.00 N ATOM 690 CA LEU A 45 4.485 -7.660 3.725 1.00 0.00 C ATOM 691 C LEU A 45 4.769 -9.144 3.966 1.00 0.00 C ATOM 692 O LEU A 45 5.649 -9.723 3.331 1.00 0.00 O ATOM 693 CB LEU A 45 3.020 -7.359 3.401 1.00 0.00 C ATOM 694 CG LEU A 45 2.485 -6.016 3.904 1.00 0.00 C ATOM 695 CD1 LEU A 45 2.740 -4.907 2.882 1.00 0.00 C ATOM 696 CD2 LEU A 45 1.006 -6.122 4.279 1.00 0.00 C ATOM 0 H LEU A 45 4.903 -7.088 1.753 1.00 0.00 H new ATOM 0 HA LEU A 45 4.695 -7.139 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.892 -7.396 2.319 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.404 -8.154 3.822 1.00 0.00 H new ATOM 0 HG LEU A 45 3.028 -5.749 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.350 -3.963 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.812 -4.813 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.240 -5.153 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.650 -5.155 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.429 -6.422 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.883 -6.865 5.067 1.00 0.00 H new ATOM 708 N PHE A 46 4.006 -9.718 4.885 1.00 0.00 N ATOM 709 CA PHE A 46 4.165 -11.124 5.218 1.00 0.00 C ATOM 710 C PHE A 46 4.093 -11.996 3.962 1.00 0.00 C ATOM 711 O PHE A 46 3.010 -12.399 3.543 1.00 0.00 O ATOM 712 CB PHE A 46 3.009 -11.496 6.149 1.00 0.00 C ATOM 713 CG PHE A 46 3.418 -11.654 7.615 1.00 0.00 C ATOM 714 CD1 PHE A 46 3.595 -10.554 8.394 1.00 0.00 C ATOM 715 CD2 PHE A 46 3.603 -12.896 8.139 1.00 0.00 C ATOM 716 CE1 PHE A 46 3.974 -10.701 9.754 1.00 0.00 C ATOM 717 CE2 PHE A 46 3.982 -13.042 9.499 1.00 0.00 C ATOM 718 CZ PHE A 46 4.160 -11.942 10.278 1.00 0.00 C ATOM 0 H PHE A 46 3.276 -9.235 5.409 1.00 0.00 H new ATOM 0 HA PHE A 46 5.135 -11.288 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.238 -10.729 6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.564 -12.429 5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.447 -9.568 7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.462 -13.770 7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.115 -9.827 10.373 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.129 -14.028 9.915 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.449 -12.054 11.313 1.00 0.00 H new ATOM 728 N GLY A 47 5.262 -12.261 3.398 1.00 0.00 N ATOM 729 CA GLY A 47 5.346 -13.078 2.199 1.00 0.00 C ATOM 730 C GLY A 47 4.560 -12.446 1.049 1.00 0.00 C ATOM 731 O GLY A 47 3.642 -13.062 0.508 1.00 0.00 O ATOM 0 H GLY A 47 6.159 -11.925 3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.390 -13.197 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.957 -14.075 2.406 1.00 0.00 H new ATOM 735 N GLU A 48 4.947 -11.225 0.710 1.00 0.00 N ATOM 736 CA GLU A 48 4.290 -10.503 -0.366 1.00 0.00 C ATOM 737 C GLU A 48 5.149 -10.538 -1.631 1.00 0.00 C ATOM 738 O GLU A 48 6.312 -10.936 -1.585 1.00 0.00 O ATOM 739 CB GLU A 48 3.981 -9.063 0.048 1.00 0.00 C ATOM 740 CG GLU A 48 2.476 -8.854 0.227 1.00 0.00 C ATOM 741 CD GLU A 48 2.103 -7.380 0.057 1.00 0.00 C ATOM 742 OE1 GLU A 48 2.858 -6.682 -0.653 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.072 -6.985 0.643 1.00 0.00 O ATOM 0 H GLU A 48 5.708 -10.717 1.162 1.00 0.00 H new ATOM 0 HA GLU A 48 3.342 -10.995 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.497 -8.830 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.360 -8.375 -0.707 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.932 -9.457 -0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.173 -9.198 1.216 1.00 0.00 H new ATOM 750 N THR A 49 4.544 -10.115 -2.731 1.00 0.00 N ATOM 751 CA THR A 49 5.239 -10.092 -4.007 1.00 0.00 C ATOM 752 C THR A 49 5.078 -8.726 -4.678 1.00 0.00 C ATOM 753 O THR A 49 4.164 -7.973 -4.348 1.00 0.00 O ATOM 754 CB THR A 49 4.711 -11.251 -4.854 1.00 0.00 C ATOM 755 OG1 THR A 49 5.576 -11.276 -5.986 1.00 0.00 O ATOM 756 CG2 THR A 49 3.330 -10.963 -5.446 1.00 0.00 C ATOM 0 H THR A 49 3.579 -9.785 -2.765 1.00 0.00 H new ATOM 0 HA THR A 49 6.312 -10.230 -3.875 1.00 0.00 H new ATOM 0 HB THR A 49 4.663 -12.153 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.306 -12.001 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.002 -11.818 -6.038 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.618 -10.786 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.384 -10.080 -6.083 1.00 0.00 H new ATOM 764 N ASP A 50 5.981 -8.450 -5.607 1.00 0.00 N ATOM 765 CA ASP A 50 5.950 -7.188 -6.328 1.00 0.00 C ATOM 766 C ASP A 50 4.500 -6.828 -6.656 1.00 0.00 C ATOM 767 O ASP A 50 4.082 -5.687 -6.465 1.00 0.00 O ATOM 768 CB ASP A 50 6.722 -7.287 -7.645 1.00 0.00 C ATOM 769 CG ASP A 50 8.067 -8.011 -7.554 1.00 0.00 C ATOM 770 OD1 ASP A 50 9.011 -7.390 -7.019 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.121 -9.169 -8.021 1.00 0.00 O ATOM 0 H ASP A 50 6.738 -9.078 -5.877 1.00 0.00 H new ATOM 0 HA ASP A 50 6.410 -6.428 -5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.098 -7.801 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.894 -6.280 -8.025 1.00 0.00 H new ATOM 776 N TYR A 51 3.773 -7.822 -7.144 1.00 0.00 N ATOM 777 CA TYR A 51 2.378 -7.625 -7.500 1.00 0.00 C ATOM 778 C TYR A 51 1.561 -7.172 -6.288 1.00 0.00 C ATOM 779 O TYR A 51 0.877 -6.151 -6.342 1.00 0.00 O ATOM 780 CB TYR A 51 1.864 -8.988 -7.965 1.00 0.00 C ATOM 781 CG TYR A 51 0.778 -8.910 -9.040 1.00 0.00 C ATOM 782 CD1 TYR A 51 -0.355 -8.153 -8.822 1.00 0.00 C ATOM 783 CD2 TYR A 51 0.930 -9.598 -10.227 1.00 0.00 C ATOM 784 CE1 TYR A 51 -1.378 -8.079 -9.833 1.00 0.00 C ATOM 785 CE2 TYR A 51 -0.093 -9.524 -11.238 1.00 0.00 C ATOM 786 CZ TYR A 51 -1.196 -8.769 -10.991 1.00 0.00 C ATOM 787 OH TYR A 51 -2.162 -8.699 -11.946 1.00 0.00 O ATOM 0 H TYR A 51 4.124 -8.767 -7.301 1.00 0.00 H new ATOM 0 HA TYR A 51 2.284 -6.858 -8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.702 -9.568 -8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.471 -9.529 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.475 -7.616 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.816 -10.192 -10.398 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.269 -7.489 -9.675 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.014 -10.056 -12.172 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.897 -9.240 -12.719 1.00 0.00 H new ATOM 797 N ASP A 52 1.660 -7.954 -5.223 1.00 0.00 N ATOM 798 CA ASP A 52 0.939 -7.646 -3.999 1.00 0.00 C ATOM 799 C ASP A 52 1.386 -6.279 -3.479 1.00 0.00 C ATOM 800 O ASP A 52 0.556 -5.417 -3.195 1.00 0.00 O ATOM 801 CB ASP A 52 1.230 -8.684 -2.913 1.00 0.00 C ATOM 802 CG ASP A 52 -0.005 -9.231 -2.195 1.00 0.00 C ATOM 803 OD1 ASP A 52 -0.746 -8.400 -1.626 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.181 -10.468 -2.230 1.00 0.00 O ATOM 0 H ASP A 52 2.228 -8.800 -5.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.127 -7.650 -4.225 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.769 -9.518 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.894 -8.237 -2.173 1.00 0.00 H new ATOM 809 N ALA A 53 2.697 -6.123 -3.369 1.00 0.00 N ATOM 810 CA ALA A 53 3.265 -4.875 -2.888 1.00 0.00 C ATOM 811 C ALA A 53 2.878 -3.743 -3.841 1.00 0.00 C ATOM 812 O ALA A 53 2.747 -2.593 -3.424 1.00 0.00 O ATOM 813 CB ALA A 53 4.781 -5.025 -2.745 1.00 0.00 C ATOM 0 H ALA A 53 3.383 -6.840 -3.605 1.00 0.00 H new ATOM 0 HA ALA A 53 2.868 -4.627 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.207 -4.089 -2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.002 -5.822 -2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.215 -5.271 -3.714 1.00 0.00 H new ATOM 819 N PHE A 54 2.706 -4.107 -5.103 1.00 0.00 N ATOM 820 CA PHE A 54 2.337 -3.136 -6.119 1.00 0.00 C ATOM 821 C PHE A 54 0.861 -2.753 -6.000 1.00 0.00 C ATOM 822 O PHE A 54 0.530 -1.575 -5.868 1.00 0.00 O ATOM 823 CB PHE A 54 2.571 -3.799 -7.478 1.00 0.00 C ATOM 824 CG PHE A 54 1.802 -3.149 -8.629 1.00 0.00 C ATOM 825 CD1 PHE A 54 2.039 -1.850 -8.957 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.880 -3.869 -9.324 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.324 -1.247 -10.026 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.166 -3.265 -10.392 1.00 0.00 C ATOM 829 CZ PHE A 54 0.403 -1.967 -10.721 1.00 0.00 C ATOM 0 H PHE A 54 2.815 -5.062 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 54 2.931 -2.230 -6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.637 -3.771 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.286 -4.849 -7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.770 -1.278 -8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.691 -4.900 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.512 -0.216 -10.287 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.566 -3.837 -10.943 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.140 -1.508 -11.534 1.00 0.00 H new ATOM 839 N GLN A 55 0.012 -3.769 -6.052 1.00 0.00 N ATOM 840 CA GLN A 55 -1.421 -3.553 -5.952 1.00 0.00 C ATOM 841 C GLN A 55 -1.751 -2.754 -4.689 1.00 0.00 C ATOM 842 O GLN A 55 -2.524 -1.799 -4.739 1.00 0.00 O ATOM 843 CB GLN A 55 -2.179 -4.882 -5.973 1.00 0.00 C ATOM 844 CG GLN A 55 -2.008 -5.589 -7.319 1.00 0.00 C ATOM 845 CD GLN A 55 -3.044 -5.097 -8.332 1.00 0.00 C ATOM 846 OE1 GLN A 55 -2.812 -4.175 -9.098 1.00 0.00 O ATOM 847 NE2 GLN A 55 -4.196 -5.760 -8.294 1.00 0.00 N ATOM 0 H GLN A 55 0.289 -4.744 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.742 -2.975 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.815 -5.525 -5.172 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.238 -4.704 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.004 -5.409 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.109 -6.666 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.324 -6.522 -7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.951 -5.507 -8.931 1.00 0.00 H new ATOM 856 N ARG A 56 -1.148 -3.175 -3.587 1.00 0.00 N ATOM 857 CA ARG A 56 -1.367 -2.511 -2.313 1.00 0.00 C ATOM 858 C ARG A 56 -1.169 -1.001 -2.461 1.00 0.00 C ATOM 859 O ARG A 56 -2.078 -0.222 -2.182 1.00 0.00 O ATOM 860 CB ARG A 56 -0.411 -3.042 -1.243 1.00 0.00 C ATOM 861 CG ARG A 56 -0.987 -2.832 0.159 1.00 0.00 C ATOM 862 CD ARG A 56 -0.232 -3.670 1.192 1.00 0.00 C ATOM 863 NE ARG A 56 -0.823 -5.024 1.276 1.00 0.00 N ATOM 864 CZ ARG A 56 -2.041 -5.283 1.770 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.804 -4.282 2.229 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.496 -6.543 1.806 1.00 0.00 N ATOM 0 H ARG A 56 -0.508 -3.968 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.391 -2.718 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.227 -4.103 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.550 -2.535 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.927 -1.777 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.043 -3.103 0.167 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.820 -3.740 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.274 -3.185 2.167 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.268 -5.810 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.457 -3.323 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.731 -4.479 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.915 -7.305 1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.423 -6.740 2.182 1.00 0.00 H new ATOM 880 N LEU A 57 0.027 -0.634 -2.899 1.00 0.00 N ATOM 881 CA LEU A 57 0.356 0.769 -3.087 1.00 0.00 C ATOM 882 C LEU A 57 -0.580 1.372 -4.137 1.00 0.00 C ATOM 883 O LEU A 57 -1.190 2.414 -3.904 1.00 0.00 O ATOM 884 CB LEU A 57 1.840 0.931 -3.421 1.00 0.00 C ATOM 885 CG LEU A 57 2.290 2.339 -3.817 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.011 2.608 -5.297 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.649 3.393 -2.912 1.00 0.00 C ATOM 0 H LEU A 57 0.779 -1.283 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 57 0.198 1.324 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.423 0.615 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.085 0.250 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 57 3.369 2.406 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.340 3.615 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.552 1.884 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.942 2.516 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.985 4.385 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.564 3.335 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.941 3.211 -1.878 1.00 0.00 H new ATOM 899 N ARG A 58 -0.664 0.690 -5.270 1.00 0.00 N ATOM 900 CA ARG A 58 -1.515 1.146 -6.356 1.00 0.00 C ATOM 901 C ARG A 58 -2.888 1.554 -5.819 1.00 0.00 C ATOM 902 O ARG A 58 -3.581 2.366 -6.431 1.00 0.00 O ATOM 903 CB ARG A 58 -1.693 0.053 -7.412 1.00 0.00 C ATOM 904 CG ARG A 58 -1.271 0.553 -8.795 1.00 0.00 C ATOM 905 CD ARG A 58 -2.365 1.421 -9.421 1.00 0.00 C ATOM 906 NE ARG A 58 -2.967 0.722 -10.578 1.00 0.00 N ATOM 907 CZ ARG A 58 -4.171 1.013 -11.088 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.909 1.991 -10.547 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.637 0.325 -12.140 1.00 0.00 N ATOM 0 H ARG A 58 -0.157 -0.175 -5.459 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.031 2.007 -6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.100 -0.820 -7.140 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.735 -0.265 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.349 1.128 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.060 -0.297 -9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.133 1.643 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.945 2.375 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.432 -0.028 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.554 2.514 -9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.826 2.213 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.075 -0.420 -12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.554 0.546 -12.529 1.00 0.00 H new ATOM 923 N LYS A 59 -3.239 0.974 -4.681 1.00 0.00 N ATOM 924 CA LYS A 59 -4.517 1.268 -4.054 1.00 0.00 C ATOM 925 C LYS A 59 -4.339 2.414 -3.057 1.00 0.00 C ATOM 926 O LYS A 59 -5.229 3.249 -2.900 1.00 0.00 O ATOM 927 CB LYS A 59 -5.114 0.002 -3.437 1.00 0.00 C ATOM 928 CG LYS A 59 -6.604 -0.117 -3.765 1.00 0.00 C ATOM 929 CD LYS A 59 -7.236 -1.296 -3.022 1.00 0.00 C ATOM 930 CE LYS A 59 -8.762 -1.256 -3.127 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.369 -2.287 -2.256 1.00 0.00 N ATOM 0 H LYS A 59 -2.661 0.302 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.239 1.603 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.584 -0.874 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.976 0.020 -2.356 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.115 0.806 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.734 -0.247 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.864 -2.233 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.939 -1.271 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.126 -0.269 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.066 -1.420 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.405 -2.246 -2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.035 -3.228 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.094 -2.113 -1.268 1.00 0.00 H new ATOM 945 N ILE A 60 -3.184 2.418 -2.408 1.00 0.00 N ATOM 946 CA ILE A 60 -2.878 3.448 -1.430 1.00 0.00 C ATOM 947 C ILE A 60 -2.875 4.814 -2.118 1.00 0.00 C ATOM 948 O ILE A 60 -3.451 5.773 -1.606 1.00 0.00 O ATOM 949 CB ILE A 60 -1.573 3.124 -0.700 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.750 1.926 0.235 1.00 0.00 C ATOM 951 CG2 ILE A 60 -1.037 4.352 0.037 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.507 1.720 1.103 1.00 0.00 C ATOM 0 H ILE A 60 -2.448 1.724 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.647 3.481 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.827 2.844 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.621 2.083 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.941 1.027 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.109 4.094 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.847 5.152 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.772 4.687 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.659 0.862 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.357 1.540 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.333 2.611 1.706 1.00 0.00 H new ATOM 964 N GLU A 61 -2.220 4.860 -3.269 1.00 0.00 N ATOM 965 CA GLU A 61 -2.134 6.093 -4.033 1.00 0.00 C ATOM 966 C GLU A 61 -3.529 6.684 -4.244 1.00 0.00 C ATOM 967 O GLU A 61 -3.706 7.901 -4.193 1.00 0.00 O ATOM 968 CB GLU A 61 -1.428 5.861 -5.370 1.00 0.00 C ATOM 969 CG GLU A 61 0.045 5.505 -5.158 1.00 0.00 C ATOM 970 CD GLU A 61 0.841 6.722 -4.683 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.154 7.568 -5.548 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.118 6.779 -3.466 1.00 0.00 O ATOM 0 H GLU A 61 -1.744 4.063 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.539 6.809 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.925 5.058 -5.913 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.504 6.757 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.127 4.703 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.470 5.129 -6.089 1.00 0.00 H new ATOM 979 N ILE A 62 -4.484 5.796 -4.477 1.00 0.00 N ATOM 980 CA ILE A 62 -5.858 6.215 -4.696 1.00 0.00 C ATOM 981 C ILE A 62 -6.361 6.967 -3.462 1.00 0.00 C ATOM 982 O ILE A 62 -6.831 8.098 -3.568 1.00 0.00 O ATOM 983 CB ILE A 62 -6.728 5.018 -5.084 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.170 4.313 -6.322 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.187 5.438 -5.273 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.854 2.961 -6.538 1.00 0.00 C ATOM 0 H ILE A 62 -4.334 4.788 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.916 6.907 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.704 4.299 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.315 4.943 -7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.096 4.167 -6.209 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.783 4.568 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.568 5.859 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.251 6.186 -6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.439 2.481 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.686 2.325 -5.669 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.925 3.113 -6.675 1.00 0.00 H new ATOM 998 N LEU A 63 -6.245 6.306 -2.319 1.00 0.00 N ATOM 999 CA LEU A 63 -6.682 6.898 -1.066 1.00 0.00 C ATOM 1000 C LEU A 63 -6.170 8.337 -0.979 1.00 0.00 C ATOM 1001 O LEU A 63 -6.956 9.282 -1.003 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.260 6.022 0.116 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.206 4.874 0.472 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -8.371 5.370 1.331 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -7.689 4.151 -0.786 1.00 0.00 C ATOM 0 H LEU A 63 -5.855 5.367 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.770 6.945 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.278 5.603 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.148 6.659 0.993 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.653 4.148 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.028 4.534 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.984 5.803 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.931 6.127 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.360 3.339 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.219 4.854 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.832 3.744 -1.323 1.00 0.00 H new ATOM 1017 N THR A 64 -4.854 8.457 -0.881 1.00 0.00 N ATOM 1018 CA THR A 64 -4.227 9.765 -0.791 1.00 0.00 C ATOM 1019 C THR A 64 -4.724 10.673 -1.917 1.00 0.00 C ATOM 1020 O THR A 64 -4.987 10.208 -3.025 1.00 0.00 O ATOM 1021 CB THR A 64 -2.710 9.563 -0.798 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.419 9.069 0.506 1.00 0.00 O ATOM 1023 CG2 THR A 64 -1.944 10.886 -0.875 1.00 0.00 C ATOM 0 H THR A 64 -4.205 7.670 -0.862 1.00 0.00 H new ATOM 0 HA THR A 64 -4.498 10.271 0.136 1.00 0.00 H new ATOM 0 HB THR A 64 -2.432 8.932 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.456 8.909 0.588 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.872 10.686 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.217 11.412 -1.790 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.196 11.503 -0.013 1.00 0.00 H new ATOM 1031 N PRO A 65 -4.842 11.987 -1.586 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.303 12.965 -2.557 1.00 0.00 C ATOM 1033 C PRO A 65 -4.208 13.284 -3.576 1.00 0.00 C ATOM 1034 O PRO A 65 -3.244 12.533 -3.713 1.00 0.00 O ATOM 1035 CB PRO A 65 -5.717 14.173 -1.732 1.00 0.00 C ATOM 1036 CG PRO A 65 -5.042 14.005 -0.380 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.540 12.574 -0.284 1.00 0.00 C ATOM 0 HA PRO A 65 -6.139 12.602 -3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.404 15.100 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.801 14.220 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.215 14.707 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.744 14.218 0.426 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.471 12.543 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.039 12.032 0.520 1.00 0.00 H new ATOM 1045 N GLU A 66 -4.393 14.401 -4.266 1.00 0.00 N ATOM 1046 CA GLU A 66 -3.432 14.828 -5.269 1.00 0.00 C ATOM 1047 C GLU A 66 -3.338 13.791 -6.390 1.00 0.00 C ATOM 1048 O GLU A 66 -2.910 12.661 -6.160 1.00 0.00 O ATOM 1049 CB GLU A 66 -2.061 15.084 -4.641 1.00 0.00 C ATOM 1050 CG GLU A 66 -1.660 16.554 -4.778 1.00 0.00 C ATOM 1051 CD GLU A 66 -0.434 16.871 -3.921 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -0.630 17.081 -2.704 1.00 0.00 O ATOM 1053 OE2 GLU A 66 0.673 16.896 -4.501 1.00 0.00 O ATOM 0 H GLU A 66 -5.194 15.022 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.778 15.768 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.082 14.806 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.313 14.453 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.446 16.780 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.492 17.191 -4.478 1.00 0.00 H new ATOM 1060 N VAL A 67 -3.744 14.212 -7.578 1.00 0.00 N ATOM 1061 CA VAL A 67 -3.710 13.334 -8.735 1.00 0.00 C ATOM 1062 C VAL A 67 -4.452 12.037 -8.407 1.00 0.00 C ATOM 1063 O VAL A 67 -3.907 11.156 -7.744 1.00 0.00 O ATOM 1064 CB VAL A 67 -2.263 13.100 -9.173 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -2.195 12.108 -10.335 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -1.581 14.420 -9.538 1.00 0.00 C ATOM 0 H VAL A 67 -4.098 15.150 -7.765 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.220 13.796 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.724 12.666 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.155 11.960 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.624 11.155 -10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.757 12.501 -11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.554 14.226 -9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.122 14.895 -10.357 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.581 15.081 -8.672 1.00 0.00 H new ATOM 1076 N ASN A 68 -5.685 11.961 -8.886 1.00 0.00 N ATOM 1077 CA ASN A 68 -6.508 10.786 -8.652 1.00 0.00 C ATOM 1078 C ASN A 68 -7.134 10.336 -9.973 1.00 0.00 C ATOM 1079 O ASN A 68 -8.274 10.685 -10.275 1.00 0.00 O ATOM 1080 CB ASN A 68 -7.642 11.094 -7.672 1.00 0.00 C ATOM 1081 CG ASN A 68 -7.415 10.389 -6.333 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -6.301 10.251 -5.855 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -8.531 9.953 -5.756 1.00 0.00 N ATOM 0 H ASN A 68 -6.134 12.694 -9.435 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.871 10.006 -8.233 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.709 12.170 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -8.593 10.775 -8.099 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.486 9.470 -4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.432 10.102 -6.211 1.00 0.00 H new ATOM 1090 N LYS A 69 -6.361 9.567 -10.726 1.00 0.00 N ATOM 1091 CA LYS A 69 -6.826 9.065 -12.008 1.00 0.00 C ATOM 1092 C LYS A 69 -7.315 7.625 -11.841 1.00 0.00 C ATOM 1093 O LYS A 69 -6.607 6.786 -11.286 1.00 0.00 O ATOM 1094 CB LYS A 69 -5.738 9.225 -13.073 1.00 0.00 C ATOM 1095 CG LYS A 69 -6.331 9.728 -14.391 1.00 0.00 C ATOM 1096 CD LYS A 69 -5.787 8.929 -15.576 1.00 0.00 C ATOM 1097 CE LYS A 69 -6.808 7.895 -16.055 1.00 0.00 C ATOM 1098 NZ LYS A 69 -6.609 7.596 -17.491 1.00 0.00 N ATOM 0 H LYS A 69 -5.416 9.279 -10.473 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.675 9.651 -12.361 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.979 9.924 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.240 8.269 -13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.417 9.646 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.095 10.784 -14.521 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.540 9.607 -16.393 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.864 8.427 -15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.710 6.980 -15.470 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.818 8.270 -15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.310 6.893 -17.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.725 8.468 -18.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.651 7.217 -17.637 1.00 0.00 H new ATOM 1112 N GLY A 70 -8.522 7.383 -12.330 1.00 0.00 N ATOM 1113 CA GLY A 70 -9.114 6.059 -12.242 1.00 0.00 C ATOM 1114 C GLY A 70 -10.542 6.059 -12.791 1.00 0.00 C ATOM 1115 O GLY A 70 -11.501 6.223 -12.038 1.00 0.00 O ATOM 0 H GLY A 70 -9.107 8.082 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.506 5.347 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.120 5.728 -11.204 1.00 0.00 H new ATOM 1119 N SER A 71 -10.638 5.873 -14.099 1.00 0.00 N ATOM 1120 CA SER A 71 -11.933 5.849 -14.758 1.00 0.00 C ATOM 1121 C SER A 71 -11.753 5.597 -16.257 1.00 0.00 C ATOM 1122 O SER A 71 -10.749 6.000 -16.841 1.00 0.00 O ATOM 1123 CB SER A 71 -12.693 7.157 -14.528 1.00 0.00 C ATOM 1124 OG SER A 71 -13.755 7.000 -13.592 1.00 0.00 O ATOM 0 H SER A 71 -9.840 5.738 -14.720 1.00 0.00 H new ATOM 0 HA SER A 71 -12.520 5.038 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.002 7.919 -14.168 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.095 7.514 -15.476 1.00 0.00 H new ATOM 0 HG SER A 71 -13.392 6.699 -12.733 1.00 0.00 H new ATOM 1130 N GLY A 72 -12.742 4.932 -16.835 1.00 0.00 N ATOM 1131 CA GLY A 72 -12.706 4.622 -18.254 1.00 0.00 C ATOM 1132 C GLY A 72 -13.842 3.671 -18.637 1.00 0.00 C ATOM 1133 O GLY A 72 -14.377 2.963 -17.785 1.00 0.00 O ATOM 0 H GLY A 72 -13.573 4.599 -16.347 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.786 5.542 -18.833 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.747 4.169 -18.507 1.00 0.00 H new ATOM 1137 N PRO A 73 -14.186 3.687 -19.953 1.00 0.00 N ATOM 1138 CA PRO A 73 -15.249 2.835 -20.458 1.00 0.00 C ATOM 1139 C PRO A 73 -14.784 1.381 -20.561 1.00 0.00 C ATOM 1140 O PRO A 73 -13.585 1.105 -20.537 1.00 0.00 O ATOM 1141 CB PRO A 73 -15.627 3.434 -21.803 1.00 0.00 C ATOM 1142 CG PRO A 73 -14.457 4.314 -22.211 1.00 0.00 C ATOM 1143 CD PRO A 73 -13.574 4.512 -20.990 1.00 0.00 C ATOM 0 HA PRO A 73 -16.113 2.802 -19.794 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.805 2.653 -22.542 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.546 4.016 -21.727 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.892 3.848 -23.019 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.813 5.274 -22.584 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.548 4.202 -21.189 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.538 5.560 -20.693 1.00 0.00 H new ATOM 1151 N SER A 74 -15.756 0.488 -20.675 1.00 0.00 N ATOM 1152 CA SER A 74 -15.462 -0.931 -20.781 1.00 0.00 C ATOM 1153 C SER A 74 -16.073 -1.497 -22.065 1.00 0.00 C ATOM 1154 O SER A 74 -17.294 -1.554 -22.202 1.00 0.00 O ATOM 1155 CB SER A 74 -15.984 -1.695 -19.563 1.00 0.00 C ATOM 1156 OG SER A 74 -15.620 -3.072 -19.601 1.00 0.00 O ATOM 0 H SER A 74 -16.749 0.720 -20.696 1.00 0.00 H new ATOM 0 HA SER A 74 -14.380 -1.054 -20.816 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.590 -1.241 -18.654 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.070 -1.608 -19.518 1.00 0.00 H new ATOM 0 HG SER A 74 -15.970 -3.525 -18.806 1.00 0.00 H new ATOM 1162 N SER A 75 -15.196 -1.901 -22.972 1.00 0.00 N ATOM 1163 CA SER A 75 -15.634 -2.461 -24.239 1.00 0.00 C ATOM 1164 C SER A 75 -15.474 -3.982 -24.223 1.00 0.00 C ATOM 1165 O SER A 75 -14.390 -4.499 -24.490 1.00 0.00 O ATOM 1166 CB SER A 75 -14.852 -1.857 -25.407 1.00 0.00 C ATOM 1167 OG SER A 75 -15.238 -2.423 -26.657 1.00 0.00 O ATOM 0 H SER A 75 -14.184 -1.852 -22.855 1.00 0.00 H new ATOM 0 HA SER A 75 -16.687 -2.215 -24.376 1.00 0.00 H new ATOM 0 HB2 SER A 75 -15.012 -0.779 -25.432 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.785 -2.017 -25.250 1.00 0.00 H new ATOM 0 HG SER A 75 -14.717 -2.010 -27.378 1.00 0.00 H new ATOM 1173 N GLY A 76 -16.569 -4.657 -23.906 1.00 0.00 N ATOM 1174 CA GLY A 76 -16.563 -6.109 -23.851 1.00 0.00 C ATOM 1175 C GLY A 76 -16.238 -6.708 -25.220 1.00 0.00 C ATOM 1176 O GLY A 76 -16.034 -7.915 -25.341 1.00 0.00 O ATOM 0 H GLY A 76 -17.466 -4.225 -23.685 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.829 -6.446 -23.119 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.536 -6.468 -23.515 1.00 0.00 H new TER 1180 GLY A 76