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 Single : A 1 GLY N :NH3+ -114:sc= 0.11 (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 56:sc= 0.812 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 39:sc= 0.466 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.105 (180deg=-0.507) USER MOD Single : A 25 MET CE :methyl -144:sc= -1.24 (180deg=-3.81!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.146 K(o=0.15,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -0.248 (180deg=-0.248) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.364 49.107 -38.824 1.00 0.00 N ATOM 2 CA GLY A 1 -2.015 47.710 -38.623 1.00 0.00 C ATOM 3 C GLY A 1 -3.265 46.862 -38.381 1.00 0.00 C ATOM 4 O GLY A 1 -4.385 47.365 -38.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.134 49.385 -39.799 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.382 49.238 -38.658 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.826 49.698 -38.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.481 47.336 -39.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.339 47.619 -37.773 1.00 0.00 H new ATOM 8 N SER A 2 -3.031 45.590 -38.094 1.00 0.00 N ATOM 9 CA SER A 2 -4.124 44.667 -37.840 1.00 0.00 C ATOM 10 C SER A 2 -3.572 43.272 -37.542 1.00 0.00 C ATOM 11 O SER A 2 -2.390 43.010 -37.754 1.00 0.00 O ATOM 12 CB SER A 2 -5.088 44.614 -39.028 1.00 0.00 C ATOM 13 OG SER A 2 -4.418 44.293 -40.244 1.00 0.00 O ATOM 0 H SER A 2 -2.101 45.177 -38.032 1.00 0.00 H new ATOM 0 HA SER A 2 -4.679 45.024 -36.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.863 43.872 -38.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.588 45.577 -39.133 1.00 0.00 H new ATOM 0 HG SER A 2 -5.067 44.267 -40.978 1.00 0.00 H new ATOM 19 N SER A 3 -4.455 42.413 -37.054 1.00 0.00 N ATOM 20 CA SER A 3 -4.071 41.051 -36.724 1.00 0.00 C ATOM 21 C SER A 3 -5.295 40.261 -36.253 1.00 0.00 C ATOM 22 O SER A 3 -6.348 40.840 -35.992 1.00 0.00 O ATOM 23 CB SER A 3 -2.982 41.031 -35.650 1.00 0.00 C ATOM 24 OG SER A 3 -3.503 41.320 -34.355 1.00 0.00 O ATOM 0 H SER A 3 -5.435 42.634 -36.879 1.00 0.00 H new ATOM 0 HA SER A 3 -3.667 40.583 -37.622 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.503 40.052 -35.638 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.211 41.760 -35.902 1.00 0.00 H new ATOM 0 HG SER A 3 -2.777 41.296 -33.697 1.00 0.00 H new ATOM 30 N GLY A 4 -5.114 38.952 -36.160 1.00 0.00 N ATOM 31 CA GLY A 4 -6.190 38.077 -35.726 1.00 0.00 C ATOM 32 C GLY A 4 -5.649 36.710 -35.305 1.00 0.00 C ATOM 33 O GLY A 4 -4.440 36.483 -35.327 1.00 0.00 O ATOM 0 H GLY A 4 -4.239 38.476 -36.378 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.721 38.535 -34.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.911 37.954 -36.534 1.00 0.00 H new ATOM 37 N SER A 5 -6.570 35.834 -34.930 1.00 0.00 N ATOM 38 CA SER A 5 -6.200 34.495 -34.504 1.00 0.00 C ATOM 39 C SER A 5 -7.454 33.697 -34.142 1.00 0.00 C ATOM 40 O SER A 5 -8.517 34.272 -33.914 1.00 0.00 O ATOM 41 CB SER A 5 -5.239 34.542 -33.315 1.00 0.00 C ATOM 42 OG SER A 5 -3.883 34.364 -33.717 1.00 0.00 O ATOM 0 H SER A 5 -7.572 36.026 -34.912 1.00 0.00 H new ATOM 0 HA SER A 5 -5.689 34.001 -35.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.343 35.498 -32.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.510 33.766 -32.599 1.00 0.00 H new ATOM 0 HG SER A 5 -3.652 35.033 -34.395 1.00 0.00 H new ATOM 48 N SER A 6 -7.288 32.383 -34.100 1.00 0.00 N ATOM 49 CA SER A 6 -8.393 31.499 -33.769 1.00 0.00 C ATOM 50 C SER A 6 -7.861 30.120 -33.375 1.00 0.00 C ATOM 51 O SER A 6 -6.696 29.808 -33.616 1.00 0.00 O ATOM 52 CB SER A 6 -9.369 31.376 -34.941 1.00 0.00 C ATOM 53 OG SER A 6 -10.727 31.404 -34.510 1.00 0.00 O ATOM 0 H SER A 6 -6.405 31.909 -34.290 1.00 0.00 H new ATOM 0 HA SER A 6 -8.933 31.928 -32.924 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.195 32.190 -35.645 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.178 30.446 -35.476 1.00 0.00 H new ATOM 0 HG SER A 6 -11.319 31.325 -35.287 1.00 0.00 H new ATOM 59 N GLY A 7 -8.740 29.331 -32.775 1.00 0.00 N ATOM 60 CA GLY A 7 -8.373 27.993 -32.344 1.00 0.00 C ATOM 61 C GLY A 7 -9.465 27.381 -31.464 1.00 0.00 C ATOM 62 O GLY A 7 -9.859 27.970 -30.459 1.00 0.00 O ATOM 0 H GLY A 7 -9.706 29.593 -32.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.206 27.360 -33.215 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.434 28.030 -31.792 1.00 0.00 H new ATOM 66 N THR A 8 -9.922 26.207 -31.874 1.00 0.00 N ATOM 67 CA THR A 8 -10.960 25.509 -31.136 1.00 0.00 C ATOM 68 C THR A 8 -10.565 24.048 -30.911 1.00 0.00 C ATOM 69 O THR A 8 -9.880 23.452 -31.741 1.00 0.00 O ATOM 70 CB THR A 8 -12.275 25.672 -31.901 1.00 0.00 C ATOM 71 OG1 THR A 8 -11.981 25.180 -33.206 1.00 0.00 O ATOM 72 CG2 THR A 8 -12.643 27.139 -32.129 1.00 0.00 C ATOM 0 H THR A 8 -9.592 25.722 -32.708 1.00 0.00 H new ATOM 0 HA THR A 8 -11.091 25.934 -30.141 1.00 0.00 H new ATOM 0 HB THR A 8 -13.077 25.179 -31.352 1.00 0.00 H new ATOM 0 HG1 THR A 8 -12.781 25.247 -33.769 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.584 27.197 -32.676 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.750 27.641 -31.167 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.857 27.626 -32.706 1.00 0.00 H new ATOM 80 N SER A 9 -11.013 23.514 -29.785 1.00 0.00 N ATOM 81 CA SER A 9 -10.715 22.134 -29.440 1.00 0.00 C ATOM 82 C SER A 9 -11.300 21.799 -28.067 1.00 0.00 C ATOM 83 O SER A 9 -10.773 22.231 -27.042 1.00 0.00 O ATOM 84 CB SER A 9 -9.207 21.877 -29.452 1.00 0.00 C ATOM 85 OG SER A 9 -8.505 22.780 -28.600 1.00 0.00 O ATOM 0 H SER A 9 -11.580 24.012 -29.099 1.00 0.00 H new ATOM 0 HA SER A 9 -11.172 21.488 -30.189 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.011 20.853 -29.135 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.831 21.973 -30.471 1.00 0.00 H new ATOM 0 HG SER A 9 -9.025 22.930 -27.783 1.00 0.00 H new ATOM 91 N SER A 10 -12.380 21.033 -28.090 1.00 0.00 N ATOM 92 CA SER A 10 -13.042 20.636 -26.859 1.00 0.00 C ATOM 93 C SER A 10 -14.034 19.505 -27.140 1.00 0.00 C ATOM 94 O SER A 10 -14.815 19.581 -28.087 1.00 0.00 O ATOM 95 CB SER A 10 -13.759 21.822 -26.211 1.00 0.00 C ATOM 96 OG SER A 10 -13.610 21.827 -24.794 1.00 0.00 O ATOM 0 H SER A 10 -12.814 20.676 -28.942 1.00 0.00 H new ATOM 0 HA SER A 10 -12.283 20.281 -26.162 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.364 22.752 -26.620 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.819 21.787 -26.464 1.00 0.00 H new ATOM 0 HG SER A 10 -14.080 22.600 -24.418 1.00 0.00 H new ATOM 102 N ASN A 11 -13.972 18.483 -26.299 1.00 0.00 N ATOM 103 CA ASN A 11 -14.855 17.339 -26.445 1.00 0.00 C ATOM 104 C ASN A 11 -15.857 17.322 -25.288 1.00 0.00 C ATOM 105 O ASN A 11 -15.471 17.172 -24.130 1.00 0.00 O ATOM 106 CB ASN A 11 -14.068 16.027 -26.407 1.00 0.00 C ATOM 107 CG ASN A 11 -12.996 15.999 -27.499 1.00 0.00 C ATOM 108 OD1 ASN A 11 -13.278 15.858 -28.677 1.00 0.00 O ATOM 109 ND2 ASN A 11 -11.755 16.141 -27.042 1.00 0.00 N ATOM 0 H ASN A 11 -13.324 18.424 -25.514 1.00 0.00 H new ATOM 0 HA ASN A 11 -15.364 17.427 -27.405 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.600 15.908 -25.430 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.749 15.186 -26.539 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.969 16.136 -27.692 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.590 16.255 -26.042 1.00 0.00 H new ATOM 116 N PRO A 12 -17.157 17.483 -25.652 1.00 0.00 N ATOM 117 CA PRO A 12 -18.217 17.488 -24.659 1.00 0.00 C ATOM 118 C PRO A 12 -18.499 16.073 -24.150 1.00 0.00 C ATOM 119 O PRO A 12 -19.622 15.583 -24.256 1.00 0.00 O ATOM 120 CB PRO A 12 -19.411 18.115 -25.360 1.00 0.00 C ATOM 121 CG PRO A 12 -19.121 18.012 -26.849 1.00 0.00 C ATOM 122 CD PRO A 12 -17.651 17.664 -27.014 1.00 0.00 C ATOM 0 HA PRO A 12 -17.953 18.055 -23.766 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.333 17.592 -25.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.540 19.154 -25.058 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.748 17.248 -27.308 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.349 18.954 -27.348 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.523 16.757 -27.605 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.111 18.459 -27.528 1.00 0.00 H new ATOM 130 N VAL A 13 -17.459 15.456 -23.608 1.00 0.00 N ATOM 131 CA VAL A 13 -17.580 14.107 -23.082 1.00 0.00 C ATOM 132 C VAL A 13 -16.283 13.725 -22.366 1.00 0.00 C ATOM 133 O VAL A 13 -15.219 13.684 -22.981 1.00 0.00 O ATOM 134 CB VAL A 13 -17.949 13.138 -24.207 1.00 0.00 C ATOM 135 CG1 VAL A 13 -16.782 12.957 -25.180 1.00 0.00 C ATOM 136 CG2 VAL A 13 -18.407 11.791 -23.643 1.00 0.00 C ATOM 0 H VAL A 13 -16.529 15.866 -23.522 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.384 14.054 -22.348 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.783 13.570 -24.761 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -17.071 12.264 -25.970 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.522 13.920 -25.620 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -15.920 12.558 -24.645 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.663 11.121 -24.464 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.603 11.351 -23.053 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.282 11.940 -23.010 1.00 0.00 H new ATOM 146 N LEU A 14 -16.415 13.454 -21.076 1.00 0.00 N ATOM 147 CA LEU A 14 -15.266 13.077 -20.269 1.00 0.00 C ATOM 148 C LEU A 14 -15.728 12.176 -19.122 1.00 0.00 C ATOM 149 O LEU A 14 -16.165 12.666 -18.081 1.00 0.00 O ATOM 150 CB LEU A 14 -14.504 14.320 -19.807 1.00 0.00 C ATOM 151 CG LEU A 14 -13.005 14.137 -19.564 1.00 0.00 C ATOM 152 CD1 LEU A 14 -12.752 13.282 -18.320 1.00 0.00 C ATOM 153 CD2 LEU A 14 -12.315 13.564 -20.803 1.00 0.00 C ATOM 0 H LEU A 14 -17.300 13.488 -20.569 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.557 12.500 -20.862 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.638 15.102 -20.554 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.960 14.679 -18.884 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.567 15.117 -19.376 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.679 13.167 -18.170 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.190 13.769 -17.449 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.207 12.300 -18.454 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.250 13.444 -20.604 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.750 12.595 -21.046 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.452 14.245 -21.643 1.00 0.00 H new ATOM 165 N GLU A 15 -15.616 10.876 -19.351 1.00 0.00 N ATOM 166 CA GLU A 15 -16.017 9.903 -18.349 1.00 0.00 C ATOM 167 C GLU A 15 -15.739 8.483 -18.847 1.00 0.00 C ATOM 168 O GLU A 15 -16.547 7.907 -19.574 1.00 0.00 O ATOM 169 CB GLU A 15 -17.491 10.075 -17.976 1.00 0.00 C ATOM 170 CG GLU A 15 -17.794 9.424 -16.625 1.00 0.00 C ATOM 171 CD GLU A 15 -19.003 10.084 -15.958 1.00 0.00 C ATOM 172 OE1 GLU A 15 -19.062 11.332 -15.998 1.00 0.00 O ATOM 173 OE2 GLU A 15 -19.840 9.326 -15.423 1.00 0.00 O ATOM 0 H GLU A 15 -15.253 10.474 -20.215 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.427 10.073 -17.449 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.738 11.136 -17.936 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.119 9.630 -18.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -17.987 8.360 -16.765 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.924 9.507 -15.974 1.00 0.00 H new ATOM 180 N LEU A 16 -14.593 7.960 -18.437 1.00 0.00 N ATOM 181 CA LEU A 16 -14.199 6.619 -18.832 1.00 0.00 C ATOM 182 C LEU A 16 -14.589 5.631 -17.730 1.00 0.00 C ATOM 183 O LEU A 16 -14.158 4.479 -17.744 1.00 0.00 O ATOM 184 CB LEU A 16 -12.713 6.582 -19.193 1.00 0.00 C ATOM 185 CG LEU A 16 -12.362 6.962 -20.633 1.00 0.00 C ATOM 186 CD1 LEU A 16 -10.953 7.552 -20.718 1.00 0.00 C ATOM 187 CD2 LEU A 16 -12.541 5.769 -21.574 1.00 0.00 C ATOM 0 H LEU A 16 -13.925 8.441 -17.835 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.731 6.316 -19.734 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.179 7.254 -18.521 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.338 5.576 -19.002 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.055 7.737 -20.959 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.730 7.813 -21.752 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.895 8.446 -20.097 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.229 6.818 -20.365 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.285 6.066 -22.591 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.888 4.955 -21.258 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.578 5.434 -21.544 1.00 0.00 H new ATOM 199 N GLU A 17 -15.399 6.119 -16.803 1.00 0.00 N ATOM 200 CA GLU A 17 -15.852 5.293 -15.696 1.00 0.00 C ATOM 201 C GLU A 17 -14.661 4.845 -14.846 1.00 0.00 C ATOM 202 O GLU A 17 -13.561 4.656 -15.364 1.00 0.00 O ATOM 203 CB GLU A 17 -16.650 4.090 -16.200 1.00 0.00 C ATOM 204 CG GLU A 17 -18.065 4.503 -16.610 1.00 0.00 C ATOM 205 CD GLU A 17 -19.107 3.917 -15.655 1.00 0.00 C ATOM 206 OE1 GLU A 17 -19.405 2.713 -15.809 1.00 0.00 O ATOM 207 OE2 GLU A 17 -19.581 4.687 -14.791 1.00 0.00 O ATOM 0 H GLU A 17 -15.754 7.075 -16.795 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.515 5.890 -15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.138 3.640 -17.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.701 3.330 -15.420 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.143 5.590 -16.616 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.266 4.164 -17.626 1.00 0.00 H new ATOM 214 N LEU A 18 -14.921 4.687 -13.557 1.00 0.00 N ATOM 215 CA LEU A 18 -13.884 4.264 -12.631 1.00 0.00 C ATOM 216 C LEU A 18 -13.187 3.020 -13.186 1.00 0.00 C ATOM 217 O LEU A 18 -13.714 2.354 -14.076 1.00 0.00 O ATOM 218 CB LEU A 18 -14.465 4.070 -11.229 1.00 0.00 C ATOM 219 CG LEU A 18 -14.355 5.269 -10.285 1.00 0.00 C ATOM 220 CD1 LEU A 18 -12.899 5.526 -9.892 1.00 0.00 C ATOM 221 CD2 LEU A 18 -15.012 6.509 -10.895 1.00 0.00 C ATOM 0 H LEU A 18 -15.835 4.844 -13.132 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.123 5.038 -12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.518 3.806 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.965 3.220 -10.765 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.898 5.034 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.849 6.383 -9.221 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.498 4.647 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.311 5.731 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -14.920 7.347 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -14.518 6.758 -11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -16.067 6.307 -11.082 1.00 0.00 H new ATOM 233 N ALA A 19 -12.012 2.745 -12.638 1.00 0.00 N ATOM 234 CA ALA A 19 -11.238 1.593 -13.067 1.00 0.00 C ATOM 235 C ALA A 19 -10.021 1.433 -12.153 1.00 0.00 C ATOM 236 O ALA A 19 -9.076 2.216 -12.228 1.00 0.00 O ATOM 237 CB ALA A 19 -10.845 1.761 -14.536 1.00 0.00 C ATOM 0 H ALA A 19 -11.578 3.300 -11.901 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.831 0.682 -12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.264 0.897 -14.858 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.744 1.842 -15.146 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.246 2.664 -14.651 1.00 0.00 H new ATOM 243 N GLU A 20 -10.085 0.412 -11.311 1.00 0.00 N ATOM 244 CA GLU A 20 -9.001 0.139 -10.383 1.00 0.00 C ATOM 245 C GLU A 20 -8.570 -1.326 -10.486 1.00 0.00 C ATOM 246 O GLU A 20 -9.192 -2.110 -11.202 1.00 0.00 O ATOM 247 CB GLU A 20 -9.403 0.492 -8.950 1.00 0.00 C ATOM 248 CG GLU A 20 -10.525 -0.422 -8.454 1.00 0.00 C ATOM 249 CD GLU A 20 -11.306 0.237 -7.315 1.00 0.00 C ATOM 250 OE1 GLU A 20 -11.920 1.292 -7.583 1.00 0.00 O ATOM 251 OE2 GLU A 20 -11.270 -0.329 -6.201 1.00 0.00 O ATOM 0 H GLU A 20 -10.871 -0.236 -11.252 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.152 0.767 -10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.538 0.401 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.729 1.531 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.201 -0.653 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.104 -1.367 -8.112 1.00 0.00 H new ATOM 258 N GLU A 21 -7.510 -1.650 -9.761 1.00 0.00 N ATOM 259 CA GLU A 21 -6.989 -3.007 -9.762 1.00 0.00 C ATOM 260 C GLU A 21 -7.058 -3.601 -11.170 1.00 0.00 C ATOM 261 O GLU A 21 -7.328 -4.790 -11.334 1.00 0.00 O ATOM 262 CB GLU A 21 -7.742 -3.884 -8.760 1.00 0.00 C ATOM 263 CG GLU A 21 -7.127 -3.771 -7.363 1.00 0.00 C ATOM 264 CD GLU A 21 -7.894 -4.631 -6.356 1.00 0.00 C ATOM 265 OE1 GLU A 21 -9.136 -4.491 -6.319 1.00 0.00 O ATOM 266 OE2 GLU A 21 -7.221 -5.408 -5.645 1.00 0.00 O ATOM 0 H GLU A 21 -6.997 -0.997 -9.169 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.944 -2.974 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.790 -3.586 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.717 -4.923 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.084 -4.085 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.137 -2.730 -7.040 1.00 0.00 H new ATOM 273 N LYS A 22 -6.811 -2.746 -12.152 1.00 0.00 N ATOM 274 CA LYS A 22 -6.842 -3.171 -13.541 1.00 0.00 C ATOM 275 C LYS A 22 -5.517 -2.803 -14.212 1.00 0.00 C ATOM 276 O LYS A 22 -4.660 -2.170 -13.597 1.00 0.00 O ATOM 277 CB LYS A 22 -8.070 -2.598 -14.249 1.00 0.00 C ATOM 278 CG LYS A 22 -8.847 -3.698 -14.977 1.00 0.00 C ATOM 279 CD LYS A 22 -10.324 -3.326 -15.116 1.00 0.00 C ATOM 280 CE LYS A 22 -10.517 -2.229 -16.165 1.00 0.00 C ATOM 281 NZ LYS A 22 -11.517 -1.240 -15.702 1.00 0.00 N ATOM 0 H LYS A 22 -6.588 -1.760 -12.013 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.942 -4.254 -13.606 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.719 -2.110 -13.522 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.760 -1.834 -14.962 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.415 -3.861 -15.964 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.755 -4.636 -14.430 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.900 -4.208 -15.397 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.709 -2.986 -14.155 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.567 -1.731 -16.358 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.843 -2.671 -17.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.467 -0.390 -16.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.469 -1.653 -15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.318 -0.981 -14.715 1.00 0.00 H new ATOM 295 N LEU A 23 -5.391 -3.214 -15.465 1.00 0.00 N ATOM 296 CA LEU A 23 -4.185 -2.935 -16.226 1.00 0.00 C ATOM 297 C LEU A 23 -2.995 -3.629 -15.561 1.00 0.00 C ATOM 298 O LEU A 23 -3.076 -4.033 -14.402 1.00 0.00 O ATOM 299 CB LEU A 23 -3.998 -1.427 -16.401 1.00 0.00 C ATOM 300 CG LEU A 23 -4.103 -0.899 -17.833 1.00 0.00 C ATOM 301 CD1 LEU A 23 -5.556 -0.585 -18.197 1.00 0.00 C ATOM 302 CD2 LEU A 23 -3.186 0.308 -18.041 1.00 0.00 C ATOM 0 H LEU A 23 -6.104 -3.738 -15.972 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.269 -3.341 -17.234 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.743 -0.916 -15.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.020 -1.154 -16.005 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.764 -1.682 -18.511 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.602 -0.211 -19.220 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.156 -1.491 -18.114 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.946 0.172 -17.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.280 0.664 -19.067 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.471 1.104 -17.353 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.153 0.017 -17.851 1.00 0.00 H new ATOM 314 N PRO A 24 -1.889 -3.749 -16.343 1.00 0.00 N ATOM 315 CA PRO A 24 -0.683 -4.388 -15.842 1.00 0.00 C ATOM 316 C PRO A 24 0.061 -3.468 -14.872 1.00 0.00 C ATOM 317 O PRO A 24 -0.419 -2.383 -14.547 1.00 0.00 O ATOM 318 CB PRO A 24 0.128 -4.724 -17.083 1.00 0.00 C ATOM 319 CG PRO A 24 -0.429 -3.851 -18.195 1.00 0.00 C ATOM 320 CD PRO A 24 -1.757 -3.283 -17.721 1.00 0.00 C ATOM 0 HA PRO A 24 -0.892 -5.288 -15.264 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.187 -4.524 -16.923 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.038 -5.781 -17.334 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.267 -3.047 -18.434 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.566 -4.434 -19.106 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.763 -2.194 -17.773 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.582 -3.636 -18.339 1.00 0.00 H new ATOM 328 N MET A 25 1.221 -3.937 -14.435 1.00 0.00 N ATOM 329 CA MET A 25 2.036 -3.170 -13.508 1.00 0.00 C ATOM 330 C MET A 25 2.400 -1.806 -14.096 1.00 0.00 C ATOM 331 O MET A 25 3.273 -1.711 -14.958 1.00 0.00 O ATOM 332 CB MET A 25 3.314 -3.947 -13.189 1.00 0.00 C ATOM 333 CG MET A 25 3.202 -4.659 -11.840 1.00 0.00 C ATOM 334 SD MET A 25 4.789 -4.674 -11.023 1.00 0.00 S ATOM 335 CE MET A 25 4.429 -5.777 -9.666 1.00 0.00 C ATOM 0 H MET A 25 1.615 -4.838 -14.706 1.00 0.00 H new ATOM 0 HA MET A 25 1.461 -3.009 -12.596 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.505 -4.678 -13.975 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.164 -3.265 -13.175 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.466 -4.155 -11.214 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.850 -5.680 -11.987 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.966 -5.447 -8.777 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.358 -5.770 -9.466 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.743 -6.788 -9.926 1.00 0.00 H new ATOM 345 N THR A 26 1.713 -0.784 -13.608 1.00 0.00 N ATOM 346 CA THR A 26 1.953 0.571 -14.075 1.00 0.00 C ATOM 347 C THR A 26 3.190 1.159 -13.392 1.00 0.00 C ATOM 348 O THR A 26 4.069 1.705 -14.056 1.00 0.00 O ATOM 349 CB THR A 26 0.681 1.386 -13.836 1.00 0.00 C ATOM 350 OG1 THR A 26 0.199 0.917 -12.580 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.436 1.031 -14.820 1.00 0.00 C ATOM 0 H THR A 26 0.990 -0.867 -12.894 1.00 0.00 H new ATOM 0 HA THR A 26 2.171 0.589 -15.143 1.00 0.00 H new ATOM 0 HB THR A 26 0.911 2.449 -13.916 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.625 1.394 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.316 1.638 -14.606 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.099 1.226 -15.838 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.690 -0.024 -14.717 1.00 0.00 H new ATOM 359 N LEU A 27 3.217 1.027 -12.074 1.00 0.00 N ATOM 360 CA LEU A 27 4.330 1.539 -11.294 1.00 0.00 C ATOM 361 C LEU A 27 5.363 0.428 -11.098 1.00 0.00 C ATOM 362 O LEU A 27 5.024 -0.670 -10.657 1.00 0.00 O ATOM 363 CB LEU A 27 3.830 2.151 -9.984 1.00 0.00 C ATOM 364 CG LEU A 27 2.570 3.013 -10.084 1.00 0.00 C ATOM 365 CD1 LEU A 27 1.739 2.921 -8.803 1.00 0.00 C ATOM 366 CD2 LEU A 27 2.921 4.460 -10.437 1.00 0.00 C ATOM 0 H LEU A 27 2.486 0.573 -11.527 1.00 0.00 H new ATOM 0 HA LEU A 27 4.828 2.348 -11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.638 1.343 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.630 2.759 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 27 1.955 2.624 -10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.849 3.543 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.441 1.886 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.333 3.268 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.007 5.051 -10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.568 4.876 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.438 4.485 -11.396 1.00 0.00 H new ATOM 378 N SER A 28 6.603 0.750 -11.435 1.00 0.00 N ATOM 379 CA SER A 28 7.688 -0.207 -11.302 1.00 0.00 C ATOM 380 C SER A 28 7.925 -0.528 -9.824 1.00 0.00 C ATOM 381 O SER A 28 7.520 0.234 -8.948 1.00 0.00 O ATOM 382 CB SER A 28 8.973 0.322 -11.942 1.00 0.00 C ATOM 383 OG SER A 28 8.841 0.477 -13.353 1.00 0.00 O ATOM 0 H SER A 28 6.881 1.661 -11.800 1.00 0.00 H new ATOM 0 HA SER A 28 7.403 -1.120 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.233 1.281 -11.494 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.794 -0.363 -11.727 1.00 0.00 H new ATOM 0 HG SER A 28 9.681 0.818 -13.725 1.00 0.00 H new ATOM 389 N ARG A 29 8.580 -1.656 -9.594 1.00 0.00 N ATOM 390 CA ARG A 29 8.876 -2.086 -8.238 1.00 0.00 C ATOM 391 C ARG A 29 9.269 -0.886 -7.374 1.00 0.00 C ATOM 392 O ARG A 29 8.584 -0.565 -6.403 1.00 0.00 O ATOM 393 CB ARG A 29 10.012 -3.111 -8.221 1.00 0.00 C ATOM 394 CG ARG A 29 10.176 -3.723 -6.828 1.00 0.00 C ATOM 395 CD ARG A 29 10.110 -5.251 -6.889 1.00 0.00 C ATOM 396 NE ARG A 29 11.083 -5.838 -5.941 1.00 0.00 N ATOM 397 CZ ARG A 29 10.937 -5.821 -4.609 1.00 0.00 C ATOM 398 NH1 ARG A 29 9.858 -5.246 -4.060 1.00 0.00 N ATOM 399 NH2 ARG A 29 11.871 -6.378 -3.825 1.00 0.00 N ATOM 0 H ARG A 29 8.914 -2.285 -10.324 1.00 0.00 H new ATOM 0 HA ARG A 29 7.976 -2.550 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.807 -3.898 -8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.943 -2.632 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.130 -3.413 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.394 -3.348 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.103 -5.590 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.325 -5.592 -7.902 1.00 0.00 H new ATOM 0 HE ARG A 29 11.916 -6.283 -6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.148 -4.821 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.747 -5.233 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.693 -6.815 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.760 -6.365 -2.811 1.00 0.00 H new ATOM 413 N GLN A 30 10.369 -0.255 -7.758 1.00 0.00 N ATOM 414 CA GLN A 30 10.861 0.902 -7.031 1.00 0.00 C ATOM 415 C GLN A 30 9.767 1.967 -6.925 1.00 0.00 C ATOM 416 O GLN A 30 9.601 2.590 -5.878 1.00 0.00 O ATOM 417 CB GLN A 30 12.118 1.471 -7.691 1.00 0.00 C ATOM 418 CG GLN A 30 11.919 1.636 -9.199 1.00 0.00 C ATOM 419 CD GLN A 30 13.074 1.002 -9.977 1.00 0.00 C ATOM 420 OE1 GLN A 30 13.035 -0.155 -10.364 1.00 0.00 O ATOM 421 NE2 GLN A 30 14.101 1.821 -10.183 1.00 0.00 N ATOM 0 H GLN A 30 10.934 -0.524 -8.564 1.00 0.00 H new ATOM 0 HA GLN A 30 11.132 0.585 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.362 2.435 -7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.963 0.809 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.978 1.174 -9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.847 2.695 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.068 2.778 -9.832 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.921 1.492 -10.692 1.00 0.00 H new ATOM 430 N GLU A 31 9.049 2.143 -8.025 1.00 0.00 N ATOM 431 CA GLU A 31 7.976 3.121 -8.070 1.00 0.00 C ATOM 432 C GLU A 31 6.923 2.803 -7.007 1.00 0.00 C ATOM 433 O GLU A 31 6.183 3.686 -6.576 1.00 0.00 O ATOM 434 CB GLU A 31 7.347 3.182 -9.463 1.00 0.00 C ATOM 435 CG GLU A 31 6.627 4.515 -9.682 1.00 0.00 C ATOM 436 CD GLU A 31 7.624 5.673 -9.744 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.601 5.541 -10.512 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.387 6.665 -9.021 1.00 0.00 O ATOM 0 H GLU A 31 9.190 1.624 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 31 8.397 4.103 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.120 3.053 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.642 2.360 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.053 4.475 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.916 4.685 -8.874 1.00 0.00 H new ATOM 445 N VAL A 32 6.888 1.538 -6.614 1.00 0.00 N ATOM 446 CA VAL A 32 5.938 1.092 -5.609 1.00 0.00 C ATOM 447 C VAL A 32 6.597 1.147 -4.230 1.00 0.00 C ATOM 448 O VAL A 32 5.933 1.420 -3.231 1.00 0.00 O ATOM 449 CB VAL A 32 5.414 -0.301 -5.966 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.867 -1.015 -4.728 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.354 -0.222 -7.067 1.00 0.00 C ATOM 0 H VAL A 32 7.503 0.808 -6.974 1.00 0.00 H new ATOM 0 HA VAL A 32 5.072 1.754 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 32 6.251 -0.886 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.501 -2.002 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.660 -1.119 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.049 -0.432 -4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.998 -1.225 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.518 0.389 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.789 0.227 -7.960 1.00 0.00 H new ATOM 461 N ILE A 33 7.895 0.884 -4.219 1.00 0.00 N ATOM 462 CA ILE A 33 8.652 0.900 -2.978 1.00 0.00 C ATOM 463 C ILE A 33 8.763 2.340 -2.473 1.00 0.00 C ATOM 464 O ILE A 33 8.664 2.589 -1.272 1.00 0.00 O ATOM 465 CB ILE A 33 10.003 0.208 -3.165 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.828 -1.305 -3.318 1.00 0.00 C ATOM 467 CG2 ILE A 33 10.963 0.561 -2.027 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.140 -1.969 -3.740 1.00 0.00 C ATOM 0 H ILE A 33 8.442 0.658 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 33 8.133 0.330 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 33 10.449 0.576 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.487 -1.732 -2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.056 -1.512 -4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.916 0.056 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.123 1.639 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.535 0.240 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.988 -3.044 -3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.466 -1.557 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.903 -1.780 -2.984 1.00 0.00 H new ATOM 480 N ARG A 34 8.968 3.249 -3.414 1.00 0.00 N ATOM 481 CA ARG A 34 9.094 4.658 -3.079 1.00 0.00 C ATOM 482 C ARG A 34 7.913 5.106 -2.215 1.00 0.00 C ATOM 483 O ARG A 34 8.066 5.322 -1.014 1.00 0.00 O ATOM 484 CB ARG A 34 9.150 5.521 -4.341 1.00 0.00 C ATOM 485 CG ARG A 34 10.577 5.998 -4.616 1.00 0.00 C ATOM 486 CD ARG A 34 10.658 6.746 -5.948 1.00 0.00 C ATOM 487 NE ARG A 34 11.944 7.472 -6.043 1.00 0.00 N ATOM 488 CZ ARG A 34 13.089 6.921 -6.469 1.00 0.00 C ATOM 489 NH1 ARG A 34 13.114 5.634 -6.842 1.00 0.00 N ATOM 490 NH2 ARG A 34 14.208 7.656 -6.523 1.00 0.00 N ATOM 0 H ARG A 34 9.050 3.038 -4.409 1.00 0.00 H new ATOM 0 HA ARG A 34 10.023 4.785 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.783 4.949 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.491 6.381 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.908 6.650 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.253 5.143 -4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.566 6.043 -6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.828 7.447 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 34 11.960 8.454 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.262 5.075 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.985 5.214 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.189 8.636 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.079 7.236 -6.847 1.00 0.00 H new ATOM 504 N ARG A 35 6.763 5.231 -2.860 1.00 0.00 N ATOM 505 CA ARG A 35 5.557 5.649 -2.165 1.00 0.00 C ATOM 506 C ARG A 35 5.430 4.911 -0.831 1.00 0.00 C ATOM 507 O ARG A 35 5.500 5.525 0.232 1.00 0.00 O ATOM 508 CB ARG A 35 4.312 5.377 -3.012 1.00 0.00 C ATOM 509 CG ARG A 35 4.185 6.398 -4.144 1.00 0.00 C ATOM 510 CD ARG A 35 3.902 5.705 -5.478 1.00 0.00 C ATOM 511 NE ARG A 35 3.389 6.686 -6.460 1.00 0.00 N ATOM 512 CZ ARG A 35 4.169 7.454 -7.233 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.503 7.358 -7.143 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.616 8.317 -8.096 1.00 0.00 N ATOM 0 H ARG A 35 6.640 5.050 -3.856 1.00 0.00 H new ATOM 0 HA ARG A 35 5.633 6.721 -1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.364 4.371 -3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.424 5.415 -2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.382 7.100 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.104 6.979 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.813 5.242 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.174 4.907 -5.335 1.00 0.00 H new ATOM 0 HE ARG A 35 2.378 6.784 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.924 6.701 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.097 7.942 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.601 8.390 -8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.210 8.901 -8.684 1.00 0.00 H new ATOM 528 N LEU A 36 5.244 3.602 -0.931 1.00 0.00 N ATOM 529 CA LEU A 36 5.107 2.774 0.255 1.00 0.00 C ATOM 530 C LEU A 36 6.084 3.259 1.327 1.00 0.00 C ATOM 531 O LEU A 36 5.693 3.485 2.471 1.00 0.00 O ATOM 532 CB LEU A 36 5.271 1.295 -0.103 1.00 0.00 C ATOM 533 CG LEU A 36 4.191 0.701 -1.009 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.539 -0.735 -1.407 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.811 0.796 -0.354 1.00 0.00 C ATOM 0 H LEU A 36 5.185 3.096 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 36 4.104 2.869 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.238 1.164 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.299 0.719 0.822 1.00 0.00 H new ATOM 0 HG LEU A 36 4.153 1.290 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.755 -1.134 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.488 -0.744 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.622 -1.351 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.062 0.367 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.817 0.247 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.570 1.842 -0.163 1.00 0.00 H new ATOM 547 N ARG A 37 7.336 3.405 0.919 1.00 0.00 N ATOM 548 CA ARG A 37 8.372 3.859 1.831 1.00 0.00 C ATOM 549 C ARG A 37 7.995 5.215 2.430 1.00 0.00 C ATOM 550 O ARG A 37 7.861 5.345 3.646 1.00 0.00 O ATOM 551 CB ARG A 37 9.719 3.982 1.116 1.00 0.00 C ATOM 552 CG ARG A 37 10.590 2.751 1.371 1.00 0.00 C ATOM 553 CD ARG A 37 12.041 3.152 1.646 1.00 0.00 C ATOM 554 NE ARG A 37 12.857 1.947 1.916 1.00 0.00 N ATOM 555 CZ ARG A 37 14.190 1.958 2.055 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.865 3.111 1.950 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.848 0.817 2.298 1.00 0.00 N ATOM 0 H ARG A 37 7.656 3.217 -0.031 1.00 0.00 H new ATOM 0 HA ARG A 37 8.461 3.119 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.556 4.101 0.045 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.238 4.876 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.196 2.192 2.220 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.550 2.088 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.446 3.691 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.084 3.829 2.499 1.00 0.00 H new ATOM 0 HE ARG A 37 12.375 1.052 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.364 3.980 1.764 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.879 3.120 2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.335 -0.061 2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.862 0.826 2.404 1.00 0.00 H new ATOM 571 N GLU A 38 7.833 6.191 1.549 1.00 0.00 N ATOM 572 CA GLU A 38 7.474 7.533 1.975 1.00 0.00 C ATOM 573 C GLU A 38 6.237 7.490 2.875 1.00 0.00 C ATOM 574 O GLU A 38 6.159 8.218 3.864 1.00 0.00 O ATOM 575 CB GLU A 38 7.244 8.448 0.771 1.00 0.00 C ATOM 576 CG GLU A 38 8.491 9.282 0.470 1.00 0.00 C ATOM 577 CD GLU A 38 8.118 10.732 0.155 1.00 0.00 C ATOM 578 OE1 GLU A 38 7.179 10.915 -0.649 1.00 0.00 O ATOM 579 OE2 GLU A 38 8.781 11.625 0.726 1.00 0.00 O ATOM 0 H GLU A 38 7.944 6.079 0.541 1.00 0.00 H new ATOM 0 HA GLU A 38 8.304 7.945 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.984 7.849 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.399 9.108 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.167 9.254 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.027 8.849 -0.374 1.00 0.00 H new ATOM 586 N ARG A 39 5.301 6.631 2.501 1.00 0.00 N ATOM 587 CA ARG A 39 4.072 6.483 3.262 1.00 0.00 C ATOM 588 C ARG A 39 4.358 5.811 4.606 1.00 0.00 C ATOM 589 O ARG A 39 3.594 5.969 5.557 1.00 0.00 O ATOM 590 CB ARG A 39 3.044 5.652 2.492 1.00 0.00 C ATOM 591 CG ARG A 39 2.923 6.133 1.044 1.00 0.00 C ATOM 592 CD ARG A 39 1.474 6.487 0.704 1.00 0.00 C ATOM 593 NE ARG A 39 1.357 7.938 0.439 1.00 0.00 N ATOM 594 CZ ARG A 39 1.290 8.873 1.396 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.328 8.515 2.686 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.184 10.167 1.062 1.00 0.00 N ATOM 0 H ARG A 39 5.369 6.030 1.680 1.00 0.00 H new ATOM 0 HA ARG A 39 3.664 7.480 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.335 4.602 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.074 5.721 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.559 7.005 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.280 5.356 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.148 5.922 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.819 6.205 1.528 1.00 0.00 H new ATOM 0 HE ARG A 39 1.325 8.246 -0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.408 7.530 2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.277 9.227 3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.154 10.439 0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.133 10.879 1.790 1.00 0.00 H new ATOM 610 N GLY A 40 5.460 5.076 4.642 1.00 0.00 N ATOM 611 CA GLY A 40 5.855 4.380 5.854 1.00 0.00 C ATOM 612 C GLY A 40 5.385 2.924 5.829 1.00 0.00 C ATOM 613 O GLY A 40 5.591 2.184 6.790 1.00 0.00 O ATOM 0 H GLY A 40 6.091 4.948 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.939 4.414 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.434 4.887 6.722 1.00 0.00 H new ATOM 617 N GLU A 41 4.763 2.556 4.718 1.00 0.00 N ATOM 618 CA GLU A 41 4.261 1.202 4.555 1.00 0.00 C ATOM 619 C GLU A 41 5.413 0.245 4.242 1.00 0.00 C ATOM 620 O GLU A 41 6.466 0.668 3.768 1.00 0.00 O ATOM 621 CB GLU A 41 3.187 1.143 3.467 1.00 0.00 C ATOM 622 CG GLU A 41 2.216 2.319 3.590 1.00 0.00 C ATOM 623 CD GLU A 41 0.787 1.828 3.830 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.654 0.751 4.451 1.00 0.00 O ATOM 625 OE2 GLU A 41 -0.139 2.540 3.387 1.00 0.00 O ATOM 0 H GLU A 41 4.595 3.172 3.922 1.00 0.00 H new ATOM 0 HA GLU A 41 3.799 0.890 5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.659 1.158 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.638 0.204 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.525 2.966 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.250 2.920 2.681 1.00 0.00 H new ATOM 632 N PRO A 42 5.167 -1.062 4.526 1.00 0.00 N ATOM 633 CA PRO A 42 6.171 -2.084 4.280 1.00 0.00 C ATOM 634 C PRO A 42 6.282 -2.394 2.786 1.00 0.00 C ATOM 635 O PRO A 42 5.320 -2.852 2.170 1.00 0.00 O ATOM 636 CB PRO A 42 5.724 -3.281 5.104 1.00 0.00 C ATOM 637 CG PRO A 42 4.253 -3.050 5.411 1.00 0.00 C ATOM 638 CD PRO A 42 3.931 -1.600 5.088 1.00 0.00 C ATOM 0 HA PRO A 42 7.173 -1.769 4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.867 -4.210 4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.306 -3.363 6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.630 -3.720 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.044 -3.263 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.108 -1.526 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.631 -1.052 5.981 1.00 0.00 H new ATOM 646 N ILE A 43 7.463 -2.133 2.246 1.00 0.00 N ATOM 647 CA ILE A 43 7.712 -2.379 0.836 1.00 0.00 C ATOM 648 C ILE A 43 7.209 -3.776 0.470 1.00 0.00 C ATOM 649 O ILE A 43 6.620 -3.969 -0.593 1.00 0.00 O ATOM 650 CB ILE A 43 9.188 -2.151 0.505 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.089 -3.007 1.398 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.545 -0.665 0.587 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.499 -3.112 0.813 1.00 0.00 C ATOM 0 H ILE A 43 8.258 -1.753 2.760 1.00 0.00 H new ATOM 0 HA ILE A 43 7.158 -1.669 0.222 1.00 0.00 H new ATOM 0 HB ILE A 43 9.360 -2.467 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.137 -2.572 2.396 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.660 -4.003 1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.600 -0.530 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.937 -0.105 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.353 -0.300 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.119 -3.725 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.450 -3.570 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.934 -2.116 0.730 1.00 0.00 H new ATOM 665 N ARG A 44 7.459 -4.716 1.370 1.00 0.00 N ATOM 666 CA ARG A 44 7.039 -6.090 1.155 1.00 0.00 C ATOM 667 C ARG A 44 6.415 -6.660 2.430 1.00 0.00 C ATOM 668 O ARG A 44 7.088 -6.790 3.451 1.00 0.00 O ATOM 669 CB ARG A 44 8.220 -6.968 0.737 1.00 0.00 C ATOM 670 CG ARG A 44 7.763 -8.399 0.444 1.00 0.00 C ATOM 671 CD ARG A 44 6.794 -8.433 -0.740 1.00 0.00 C ATOM 672 NE ARG A 44 7.372 -9.234 -1.843 1.00 0.00 N ATOM 673 CZ ARG A 44 7.737 -10.518 -1.728 1.00 0.00 C ATOM 674 NH1 ARG A 44 7.588 -11.155 -0.559 1.00 0.00 N ATOM 675 NH2 ARG A 44 8.253 -11.164 -2.782 1.00 0.00 N ATOM 0 H ARG A 44 7.948 -4.553 2.250 1.00 0.00 H new ATOM 0 HA ARG A 44 6.300 -6.089 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.696 -6.546 -0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.969 -6.977 1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.629 -9.024 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.280 -8.818 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.841 -8.861 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.591 -7.419 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 44 7.500 -8.780 -2.747 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.197 -10.663 0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.866 -12.133 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.368 -10.678 -3.672 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.531 -12.142 -2.695 1.00 0.00 H new ATOM 689 N LEU A 45 5.134 -6.984 2.330 1.00 0.00 N ATOM 690 CA LEU A 45 4.411 -7.537 3.463 1.00 0.00 C ATOM 691 C LEU A 45 4.725 -9.029 3.583 1.00 0.00 C ATOM 692 O LEU A 45 4.963 -9.700 2.580 1.00 0.00 O ATOM 693 CB LEU A 45 2.917 -7.231 3.346 1.00 0.00 C ATOM 694 CG LEU A 45 2.460 -5.889 3.921 1.00 0.00 C ATOM 695 CD1 LEU A 45 2.653 -4.762 2.904 1.00 0.00 C ATOM 696 CD2 LEU A 45 1.016 -5.969 4.420 1.00 0.00 C ATOM 0 H LEU A 45 4.578 -6.874 1.482 1.00 0.00 H new ATOM 0 HA LEU A 45 4.738 -7.066 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.641 -7.265 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.363 -8.026 3.846 1.00 0.00 H new ATOM 0 HG LEU A 45 3.086 -5.656 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.320 -3.819 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.708 -4.687 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.069 -4.976 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.716 -5.002 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.359 -6.236 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.942 -6.726 5.200 1.00 0.00 H new ATOM 708 N PHE A 46 4.716 -9.505 4.820 1.00 0.00 N ATOM 709 CA PHE A 46 4.997 -10.906 5.085 1.00 0.00 C ATOM 710 C PHE A 46 4.176 -11.813 4.166 1.00 0.00 C ATOM 711 O PHE A 46 2.951 -11.861 4.268 1.00 0.00 O ATOM 712 CB PHE A 46 4.598 -11.175 6.537 1.00 0.00 C ATOM 713 CG PHE A 46 5.785 -11.394 7.478 1.00 0.00 C ATOM 714 CD1 PHE A 46 6.314 -12.638 7.626 1.00 0.00 C ATOM 715 CD2 PHE A 46 6.310 -10.345 8.165 1.00 0.00 C ATOM 716 CE1 PHE A 46 7.416 -12.841 8.499 1.00 0.00 C ATOM 717 CE2 PHE A 46 7.411 -10.548 9.038 1.00 0.00 C ATOM 718 CZ PHE A 46 7.941 -11.792 9.187 1.00 0.00 C ATOM 0 H PHE A 46 4.519 -8.945 5.650 1.00 0.00 H new ATOM 0 HA PHE A 46 6.052 -11.114 4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.008 -10.335 6.903 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.955 -12.054 6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.897 -13.471 7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.890 -9.357 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.837 -13.829 8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.828 -9.715 9.584 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.778 -11.946 9.851 1.00 0.00 H new ATOM 728 N GLY A 47 4.883 -12.511 3.290 1.00 0.00 N ATOM 729 CA GLY A 47 4.236 -13.414 2.354 1.00 0.00 C ATOM 730 C GLY A 47 3.838 -12.681 1.071 1.00 0.00 C ATOM 731 O GLY A 47 3.990 -13.216 -0.026 1.00 0.00 O ATOM 0 H GLY A 47 5.899 -12.469 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.909 -14.237 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.351 -13.851 2.817 1.00 0.00 H new ATOM 735 N GLU A 48 3.337 -11.468 1.251 1.00 0.00 N ATOM 736 CA GLU A 48 2.916 -10.656 0.122 1.00 0.00 C ATOM 737 C GLU A 48 3.890 -10.827 -1.046 1.00 0.00 C ATOM 738 O GLU A 48 5.101 -10.891 -0.845 1.00 0.00 O ATOM 739 CB GLU A 48 2.791 -9.185 0.520 1.00 0.00 C ATOM 740 CG GLU A 48 1.343 -8.705 0.400 1.00 0.00 C ATOM 741 CD GLU A 48 0.692 -8.577 1.779 1.00 0.00 C ATOM 742 OE1 GLU A 48 0.823 -9.543 2.561 1.00 0.00 O ATOM 743 OE2 GLU A 48 0.077 -7.516 2.020 1.00 0.00 O ATOM 0 H GLU A 48 3.213 -11.027 2.163 1.00 0.00 H new ATOM 0 HA GLU A 48 1.931 -10.996 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.138 -9.051 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.433 -8.577 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.316 -7.742 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.774 -9.405 -0.211 1.00 0.00 H new ATOM 750 N THR A 49 3.323 -10.896 -2.242 1.00 0.00 N ATOM 751 CA THR A 49 4.126 -11.058 -3.442 1.00 0.00 C ATOM 752 C THR A 49 4.426 -9.695 -4.071 1.00 0.00 C ATOM 753 O THR A 49 3.678 -8.739 -3.875 1.00 0.00 O ATOM 754 CB THR A 49 3.385 -12.010 -4.382 1.00 0.00 C ATOM 755 OG1 THR A 49 4.385 -12.438 -5.302 1.00 0.00 O ATOM 756 CG2 THR A 49 2.358 -11.288 -5.257 1.00 0.00 C ATOM 0 H THR A 49 2.318 -10.843 -2.405 1.00 0.00 H new ATOM 0 HA THR A 49 5.097 -11.496 -3.212 1.00 0.00 H new ATOM 0 HB THR A 49 2.884 -12.781 -3.796 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.990 -13.061 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.861 -12.010 -5.905 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.618 -10.800 -4.622 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.863 -10.539 -5.868 1.00 0.00 H new ATOM 764 N ASP A 50 5.523 -9.651 -4.813 1.00 0.00 N ATOM 765 CA ASP A 50 5.932 -8.422 -5.471 1.00 0.00 C ATOM 766 C ASP A 50 4.699 -7.726 -6.053 1.00 0.00 C ATOM 767 O ASP A 50 4.499 -6.531 -5.842 1.00 0.00 O ATOM 768 CB ASP A 50 6.899 -8.708 -6.621 1.00 0.00 C ATOM 769 CG ASP A 50 6.663 -10.032 -7.351 1.00 0.00 C ATOM 770 OD1 ASP A 50 7.193 -11.053 -6.861 1.00 0.00 O ATOM 771 OD2 ASP A 50 5.958 -9.993 -8.382 1.00 0.00 O ATOM 0 H ASP A 50 6.141 -10.447 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 50 6.427 -7.792 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.831 -7.895 -7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.916 -8.702 -6.230 1.00 0.00 H new ATOM 776 N TYR A 51 3.905 -8.504 -6.774 1.00 0.00 N ATOM 777 CA TYR A 51 2.698 -7.977 -7.388 1.00 0.00 C ATOM 778 C TYR A 51 1.782 -7.342 -6.339 1.00 0.00 C ATOM 779 O TYR A 51 1.195 -6.288 -6.579 1.00 0.00 O ATOM 780 CB TYR A 51 1.984 -9.178 -8.011 1.00 0.00 C ATOM 781 CG TYR A 51 1.204 -8.845 -9.285 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.432 -7.702 -9.343 1.00 0.00 C ATOM 783 CD2 TYR A 51 1.272 -9.688 -10.376 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.301 -7.389 -10.542 1.00 0.00 C ATOM 785 CE2 TYR A 51 0.538 -9.375 -11.574 1.00 0.00 C ATOM 786 CZ TYR A 51 -0.212 -8.241 -11.598 1.00 0.00 C ATOM 787 OH TYR A 51 -0.905 -7.946 -12.731 1.00 0.00 O ATOM 0 H TYR A 51 4.074 -9.495 -6.947 1.00 0.00 H new ATOM 0 HA TYR A 51 2.944 -7.209 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.721 -9.948 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.298 -9.601 -7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.378 -7.043 -8.489 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.876 -10.582 -10.331 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.908 -6.498 -10.601 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.582 -10.026 -12.434 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.746 -8.642 -13.402 1.00 0.00 H new ATOM 797 N ASP A 52 1.689 -8.010 -5.199 1.00 0.00 N ATOM 798 CA ASP A 52 0.855 -7.524 -4.113 1.00 0.00 C ATOM 799 C ASP A 52 1.350 -6.145 -3.673 1.00 0.00 C ATOM 800 O ASP A 52 0.556 -5.221 -3.504 1.00 0.00 O ATOM 801 CB ASP A 52 0.924 -8.460 -2.904 1.00 0.00 C ATOM 802 CG ASP A 52 -0.403 -8.672 -2.174 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.120 -7.664 -1.995 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.671 -9.837 -1.811 1.00 0.00 O ATOM 0 H ASP A 52 2.177 -8.884 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.173 -7.475 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.298 -9.429 -3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.651 -8.062 -2.196 1.00 0.00 H new ATOM 809 N ALA A 53 2.660 -6.050 -3.500 1.00 0.00 N ATOM 810 CA ALA A 53 3.270 -4.799 -3.083 1.00 0.00 C ATOM 811 C ALA A 53 2.830 -3.681 -4.030 1.00 0.00 C ATOM 812 O ALA A 53 2.551 -2.565 -3.592 1.00 0.00 O ATOM 813 CB ALA A 53 4.791 -4.962 -3.042 1.00 0.00 C ATOM 0 H ALA A 53 3.316 -6.819 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 53 2.943 -4.529 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.249 -4.024 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.054 -5.748 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.155 -5.231 -4.034 1.00 0.00 H new ATOM 819 N PHE A 54 2.780 -4.018 -5.310 1.00 0.00 N ATOM 820 CA PHE A 54 2.378 -3.056 -6.322 1.00 0.00 C ATOM 821 C PHE A 54 0.893 -2.711 -6.191 1.00 0.00 C ATOM 822 O PHE A 54 0.537 -1.552 -5.983 1.00 0.00 O ATOM 823 CB PHE A 54 2.619 -3.712 -7.683 1.00 0.00 C ATOM 824 CG PHE A 54 1.750 -3.146 -8.809 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.838 -1.830 -9.140 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.891 -3.960 -9.479 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.031 -1.305 -10.184 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.085 -3.436 -10.523 1.00 0.00 C ATOM 829 CZ PHE A 54 0.172 -2.119 -10.854 1.00 0.00 C ATOM 0 H PHE A 54 3.011 -4.944 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 54 2.949 -2.135 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.668 -3.592 -7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.433 -4.783 -7.597 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.522 -1.184 -8.609 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.822 -5.005 -9.217 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.099 -0.259 -10.446 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.597 -4.083 -11.055 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.441 -1.720 -11.649 1.00 0.00 H new ATOM 839 N GLN A 55 0.066 -3.738 -6.320 1.00 0.00 N ATOM 840 CA GLN A 55 -1.372 -3.558 -6.218 1.00 0.00 C ATOM 841 C GLN A 55 -1.723 -2.797 -4.938 1.00 0.00 C ATOM 842 O GLN A 55 -2.528 -1.868 -4.965 1.00 0.00 O ATOM 843 CB GLN A 55 -2.098 -4.904 -6.273 1.00 0.00 C ATOM 844 CG GLN A 55 -1.869 -5.596 -7.618 1.00 0.00 C ATOM 845 CD GLN A 55 -2.919 -5.161 -8.644 1.00 0.00 C ATOM 846 OE1 GLN A 55 -3.507 -4.096 -8.556 1.00 0.00 O ATOM 847 NE2 GLN A 55 -3.120 -6.043 -9.618 1.00 0.00 N ATOM 0 H GLN A 55 0.364 -4.698 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.706 -2.967 -7.071 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.745 -5.545 -5.465 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.166 -4.752 -6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.872 -5.357 -7.989 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.910 -6.677 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.593 -6.916 -9.632 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.801 -5.846 -10.352 1.00 0.00 H new ATOM 856 N ARG A 56 -1.102 -3.221 -3.847 1.00 0.00 N ATOM 857 CA ARG A 56 -1.338 -2.591 -2.559 1.00 0.00 C ATOM 858 C ARG A 56 -1.133 -1.079 -2.662 1.00 0.00 C ATOM 859 O ARG A 56 -2.046 -0.304 -2.380 1.00 0.00 O ATOM 860 CB ARG A 56 -0.400 -3.155 -1.490 1.00 0.00 C ATOM 861 CG ARG A 56 -0.990 -2.971 -0.090 1.00 0.00 C ATOM 862 CD ARG A 56 -0.176 -3.739 0.953 1.00 0.00 C ATOM 863 NE ARG A 56 -0.751 -5.088 1.151 1.00 0.00 N ATOM 864 CZ ARG A 56 -1.976 -5.318 1.642 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.763 -4.291 1.989 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.414 -6.576 1.787 1.00 0.00 N ATOM 0 H ARG A 56 -0.436 -3.993 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.368 -2.802 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.224 -4.214 -1.678 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.567 -2.656 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.007 -1.911 0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.023 -3.318 -0.078 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.861 -3.821 0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.173 -3.194 1.897 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.179 -5.893 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.430 -3.333 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.696 -4.467 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.815 -7.358 1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.347 -6.751 2.161 1.00 0.00 H new ATOM 880 N LEU A 57 0.072 -0.703 -3.067 1.00 0.00 N ATOM 881 CA LEU A 57 0.408 0.703 -3.210 1.00 0.00 C ATOM 882 C LEU A 57 -0.540 1.349 -4.222 1.00 0.00 C ATOM 883 O LEU A 57 -1.129 2.394 -3.947 1.00 0.00 O ATOM 884 CB LEU A 57 1.888 0.866 -3.563 1.00 0.00 C ATOM 885 CG LEU A 57 2.338 2.282 -3.931 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.041 2.586 -5.401 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.713 3.317 -2.994 1.00 0.00 C ATOM 0 H LEU A 57 0.827 -1.348 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 57 0.270 1.226 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.483 0.526 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.117 0.205 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 57 3.419 2.342 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.370 3.598 -5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.572 1.875 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.969 2.502 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.049 4.314 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.627 3.266 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.017 3.110 -1.968 1.00 0.00 H new ATOM 899 N ARG A 58 -0.658 0.701 -5.372 1.00 0.00 N ATOM 900 CA ARG A 58 -1.525 1.200 -6.426 1.00 0.00 C ATOM 901 C ARG A 58 -2.902 1.551 -5.859 1.00 0.00 C ATOM 902 O ARG A 58 -3.624 2.365 -6.433 1.00 0.00 O ATOM 903 CB ARG A 58 -1.689 0.164 -7.540 1.00 0.00 C ATOM 904 CG ARG A 58 -1.154 0.700 -8.870 1.00 0.00 C ATOM 905 CD ARG A 58 -2.187 1.598 -9.554 1.00 0.00 C ATOM 906 NE ARG A 58 -2.045 2.991 -9.073 1.00 0.00 N ATOM 907 CZ ARG A 58 -2.856 3.995 -9.431 1.00 0.00 C ATOM 908 NH1 ARG A 58 -3.871 3.769 -10.275 1.00 0.00 N ATOM 909 NH2 ARG A 58 -2.652 5.227 -8.944 1.00 0.00 N ATOM 0 H ARG A 58 -0.168 -0.165 -5.597 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.061 2.094 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.159 -0.750 -7.272 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.742 -0.098 -7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.236 1.262 -8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.899 -0.133 -9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.053 1.562 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.193 1.233 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.282 3.199 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.027 2.832 -10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.488 4.534 -10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.879 5.400 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.269 5.992 -9.216 1.00 0.00 H new ATOM 923 N LYS A 59 -3.224 0.921 -4.739 1.00 0.00 N ATOM 924 CA LYS A 59 -4.501 1.157 -4.088 1.00 0.00 C ATOM 925 C LYS A 59 -4.339 2.258 -3.039 1.00 0.00 C ATOM 926 O LYS A 59 -5.282 2.994 -2.754 1.00 0.00 O ATOM 927 CB LYS A 59 -5.066 -0.149 -3.527 1.00 0.00 C ATOM 928 CG LYS A 59 -6.136 0.126 -2.468 1.00 0.00 C ATOM 929 CD LYS A 59 -6.875 -1.159 -2.089 1.00 0.00 C ATOM 930 CE LYS A 59 -6.775 -1.425 -0.585 1.00 0.00 C ATOM 931 NZ LYS A 59 -7.572 -0.433 0.171 1.00 0.00 N ATOM 0 H LYS A 59 -2.622 0.247 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.237 1.511 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.494 -0.741 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.261 -0.740 -3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.672 0.558 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.847 0.861 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.923 -1.079 -2.379 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.455 -2.001 -2.640 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.131 -2.431 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.733 -1.379 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.493 -0.628 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.214 0.523 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.569 -0.496 -0.117 1.00 0.00 H new ATOM 945 N ILE A 60 -3.134 2.337 -2.492 1.00 0.00 N ATOM 946 CA ILE A 60 -2.836 3.336 -1.480 1.00 0.00 C ATOM 947 C ILE A 60 -2.838 4.724 -2.123 1.00 0.00 C ATOM 948 O ILE A 60 -3.444 5.655 -1.596 1.00 0.00 O ATOM 949 CB ILE A 60 -1.531 2.994 -0.759 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.686 1.728 0.086 1.00 0.00 C ATOM 951 CG2 ILE A 60 -1.037 4.180 0.072 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.363 1.349 0.755 1.00 0.00 C ATOM 0 H ILE A 60 -2.353 1.726 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.607 3.341 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.770 2.788 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.450 1.886 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.028 0.906 -0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.108 3.910 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.861 5.034 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.789 4.441 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.501 0.446 1.349 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.393 1.168 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.036 2.163 1.402 1.00 0.00 H new ATOM 964 N GLU A 61 -2.154 4.818 -3.254 1.00 0.00 N ATOM 965 CA GLU A 61 -2.069 6.076 -3.975 1.00 0.00 C ATOM 966 C GLU A 61 -3.465 6.671 -4.171 1.00 0.00 C ATOM 967 O GLU A 61 -3.617 7.888 -4.269 1.00 0.00 O ATOM 968 CB GLU A 61 -1.358 5.893 -5.317 1.00 0.00 C ATOM 969 CG GLU A 61 0.087 5.432 -5.114 1.00 0.00 C ATOM 970 CD GLU A 61 0.956 6.573 -4.580 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.220 7.503 -5.372 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.336 6.488 -3.393 1.00 0.00 O ATOM 0 H GLU A 61 -1.653 4.043 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.478 6.773 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.895 5.161 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.369 6.832 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.111 4.595 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.494 5.072 -6.059 1.00 0.00 H new ATOM 979 N ILE A 62 -4.449 5.785 -4.221 1.00 0.00 N ATOM 980 CA ILE A 62 -5.827 6.207 -4.403 1.00 0.00 C ATOM 981 C ILE A 62 -6.240 7.105 -3.235 1.00 0.00 C ATOM 982 O ILE A 62 -6.746 8.207 -3.443 1.00 0.00 O ATOM 983 CB ILE A 62 -6.738 4.993 -4.596 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.254 4.124 -5.759 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.196 5.423 -4.771 1.00 0.00 C ATOM 986 CD1 ILE A 62 -5.624 4.981 -6.859 1.00 0.00 C ATOM 0 H ILE A 62 -4.319 4.777 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.926 6.800 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.688 4.382 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.526 3.398 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.091 3.559 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.822 4.541 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.523 5.968 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.283 6.067 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.289 4.339 -7.673 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.362 5.689 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.772 5.526 -6.452 1.00 0.00 H new ATOM 998 N LEU A 63 -6.008 6.601 -2.032 1.00 0.00 N ATOM 999 CA LEU A 63 -6.349 7.344 -0.831 1.00 0.00 C ATOM 1000 C LEU A 63 -5.933 8.806 -1.005 1.00 0.00 C ATOM 1001 O LEU A 63 -6.751 9.649 -1.369 1.00 0.00 O ATOM 1002 CB LEU A 63 -5.742 6.675 0.404 1.00 0.00 C ATOM 1003 CG LEU A 63 -6.721 5.922 1.308 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -5.976 5.142 2.393 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -7.763 6.874 1.900 1.00 0.00 C ATOM 0 H LEU A 63 -5.588 5.687 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.427 7.336 -0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.973 5.977 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.244 7.440 0.999 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.258 5.194 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.695 4.616 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.305 4.420 1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.396 5.833 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.446 6.314 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.261 7.641 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.324 7.346 1.094 1.00 0.00 H new ATOM 1017 N THR A 64 -4.661 9.062 -0.737 1.00 0.00 N ATOM 1018 CA THR A 64 -4.126 10.407 -0.859 1.00 0.00 C ATOM 1019 C THR A 64 -4.685 11.092 -2.108 1.00 0.00 C ATOM 1020 O THR A 64 -4.923 10.440 -3.123 1.00 0.00 O ATOM 1021 CB THR A 64 -2.599 10.311 -0.851 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.172 11.610 -0.450 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.016 10.144 -2.256 1.00 0.00 C ATOM 0 H THR A 64 -3.985 8.360 -0.436 1.00 0.00 H new ATOM 0 HA THR A 64 -4.431 11.032 -0.020 1.00 0.00 H new ATOM 0 HB THR A 64 -2.291 9.471 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.193 11.637 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.930 10.081 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.407 9.232 -2.706 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.295 11.000 -2.870 1.00 0.00 H new ATOM 1031 N PRO A 65 -4.885 12.432 -1.988 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.412 13.212 -3.095 1.00 0.00 C ATOM 1033 C PRO A 65 -4.344 13.431 -4.168 1.00 0.00 C ATOM 1034 O PRO A 65 -3.332 12.733 -4.194 1.00 0.00 O ATOM 1035 CB PRO A 65 -5.897 14.508 -2.466 1.00 0.00 C ATOM 1036 CG PRO A 65 -5.207 14.600 -1.115 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.614 13.236 -0.800 1.00 0.00 C ATOM 0 HA PRO A 65 -6.226 12.708 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.645 15.364 -3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.981 14.505 -2.351 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.426 15.360 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.918 14.895 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.544 13.305 -0.604 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.073 12.800 0.087 1.00 0.00 H new ATOM 1045 N GLU A 66 -4.606 14.405 -5.028 1.00 0.00 N ATOM 1046 CA GLU A 66 -3.680 14.725 -6.101 1.00 0.00 C ATOM 1047 C GLU A 66 -3.473 16.239 -6.189 1.00 0.00 C ATOM 1048 O GLU A 66 -4.396 17.011 -5.935 1.00 0.00 O ATOM 1049 CB GLU A 66 -4.171 14.161 -7.435 1.00 0.00 C ATOM 1050 CG GLU A 66 -5.435 14.883 -7.905 1.00 0.00 C ATOM 1051 CD GLU A 66 -5.098 15.966 -8.933 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -4.844 15.585 -10.096 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -5.102 17.150 -8.532 1.00 0.00 O ATOM 0 H GLU A 66 -5.446 14.983 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.720 14.259 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.389 14.264 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.375 13.095 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.127 14.164 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.940 15.333 -7.050 1.00 0.00 H new ATOM 1060 N VAL A 67 -2.255 16.617 -6.549 1.00 0.00 N ATOM 1061 CA VAL A 67 -1.915 18.024 -6.674 1.00 0.00 C ATOM 1062 C VAL A 67 -1.168 18.249 -7.989 1.00 0.00 C ATOM 1063 O VAL A 67 -1.340 17.492 -8.943 1.00 0.00 O ATOM 1064 CB VAL A 67 -1.121 18.481 -5.449 1.00 0.00 C ATOM 1065 CG1 VAL A 67 0.371 18.186 -5.622 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -1.357 19.966 -5.164 1.00 0.00 C ATOM 0 H VAL A 67 -1.492 15.973 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.818 18.634 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.477 17.915 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.913 18.521 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.517 17.114 -5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.747 18.713 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.781 20.264 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.042 20.556 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.417 20.136 -4.976 1.00 0.00 H new ATOM 1076 N ASN A 68 -0.353 19.294 -7.999 1.00 0.00 N ATOM 1077 CA ASN A 68 0.422 19.628 -9.182 1.00 0.00 C ATOM 1078 C ASN A 68 1.439 18.518 -9.451 1.00 0.00 C ATOM 1079 O ASN A 68 2.370 18.322 -8.671 1.00 0.00 O ATOM 1080 CB ASN A 68 1.191 20.936 -8.985 1.00 0.00 C ATOM 1081 CG ASN A 68 0.232 22.117 -8.823 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -0.825 22.180 -9.430 1.00 0.00 O ATOM 1083 ND2 ASN A 68 0.657 23.047 -7.972 1.00 0.00 N ATOM 0 H ASN A 68 -0.213 19.921 -7.206 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.269 19.738 -10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 68 1.829 20.858 -8.105 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.846 21.109 -9.839 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.088 23.875 -7.795 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.552 22.933 -7.497 1.00 0.00 H new ATOM 1090 N LYS A 69 1.227 17.819 -10.556 1.00 0.00 N ATOM 1091 CA LYS A 69 2.114 16.733 -10.938 1.00 0.00 C ATOM 1092 C LYS A 69 1.987 16.481 -12.441 1.00 0.00 C ATOM 1093 O LYS A 69 0.886 16.512 -12.989 1.00 0.00 O ATOM 1094 CB LYS A 69 1.842 15.495 -10.082 1.00 0.00 C ATOM 1095 CG LYS A 69 3.100 14.633 -9.949 1.00 0.00 C ATOM 1096 CD LYS A 69 2.800 13.336 -9.195 1.00 0.00 C ATOM 1097 CE LYS A 69 2.731 12.147 -10.155 1.00 0.00 C ATOM 1098 NZ LYS A 69 2.913 10.876 -9.420 1.00 0.00 N ATOM 0 H LYS A 69 0.453 17.984 -11.200 1.00 0.00 H new ATOM 0 HA LYS A 69 3.152 17.004 -10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.500 15.800 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.040 14.908 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.491 14.400 -10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.874 15.192 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.572 13.159 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.855 13.432 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.770 12.142 -10.669 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.501 12.245 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.863 10.079 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.841 10.877 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.163 10.777 -8.706 1.00 0.00 H new ATOM 1112 N GLY A 70 3.130 16.238 -13.066 1.00 0.00 N ATOM 1113 CA GLY A 70 3.161 15.981 -14.496 1.00 0.00 C ATOM 1114 C GLY A 70 2.780 14.531 -14.801 1.00 0.00 C ATOM 1115 O GLY A 70 3.401 13.601 -14.289 1.00 0.00 O ATOM 0 H GLY A 70 4.041 16.214 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.473 16.656 -15.005 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.158 16.188 -14.885 1.00 0.00 H new ATOM 1119 N SER A 71 1.760 14.383 -15.634 1.00 0.00 N ATOM 1120 CA SER A 71 1.289 13.061 -16.013 1.00 0.00 C ATOM 1121 C SER A 71 0.362 13.164 -17.226 1.00 0.00 C ATOM 1122 O SER A 71 -0.212 14.221 -17.485 1.00 0.00 O ATOM 1123 CB SER A 71 0.566 12.379 -14.849 1.00 0.00 C ATOM 1124 OG SER A 71 0.976 11.024 -14.686 1.00 0.00 O ATOM 0 H SER A 71 1.247 15.156 -16.057 1.00 0.00 H new ATOM 0 HA SER A 71 2.154 12.452 -16.275 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.761 12.930 -13.929 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.510 12.414 -15.020 1.00 0.00 H new ATOM 0 HG SER A 71 0.493 10.625 -13.932 1.00 0.00 H new ATOM 1130 N GLY A 72 0.245 12.052 -17.937 1.00 0.00 N ATOM 1131 CA GLY A 72 -0.602 12.004 -19.116 1.00 0.00 C ATOM 1132 C GLY A 72 -1.221 10.616 -19.290 1.00 0.00 C ATOM 1133 O GLY A 72 -0.662 9.765 -19.980 1.00 0.00 O ATOM 0 H GLY A 72 0.723 11.178 -17.719 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.392 12.750 -19.031 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.016 12.258 -19.999 1.00 0.00 H new ATOM 1137 N PRO A 73 -2.398 10.426 -18.636 1.00 0.00 N ATOM 1138 CA PRO A 73 -3.099 9.155 -18.712 1.00 0.00 C ATOM 1139 C PRO A 73 -3.787 8.988 -20.068 1.00 0.00 C ATOM 1140 O PRO A 73 -3.921 9.950 -20.823 1.00 0.00 O ATOM 1141 CB PRO A 73 -4.078 9.176 -17.549 1.00 0.00 C ATOM 1142 CG PRO A 73 -4.217 10.636 -17.147 1.00 0.00 C ATOM 1143 CD PRO A 73 -3.090 11.411 -17.810 1.00 0.00 C ATOM 0 HA PRO A 73 -2.428 8.300 -18.636 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.041 8.758 -17.842 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.709 8.575 -16.717 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.185 11.028 -17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.166 10.740 -16.063 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.476 12.233 -18.413 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.420 11.847 -17.069 1.00 0.00 H new ATOM 1151 N SER A 74 -4.204 7.760 -20.337 1.00 0.00 N ATOM 1152 CA SER A 74 -4.874 7.454 -21.590 1.00 0.00 C ATOM 1153 C SER A 74 -5.382 6.011 -21.573 1.00 0.00 C ATOM 1154 O SER A 74 -4.933 5.201 -20.764 1.00 0.00 O ATOM 1155 CB SER A 74 -3.941 7.675 -22.782 1.00 0.00 C ATOM 1156 OG SER A 74 -2.915 6.689 -22.847 1.00 0.00 O ATOM 0 H SER A 74 -4.091 6.965 -19.709 1.00 0.00 H new ATOM 0 HA SER A 74 -5.723 8.130 -21.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.521 7.656 -23.705 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.489 8.664 -22.710 1.00 0.00 H new ATOM 0 HG SER A 74 -2.342 6.864 -23.622 1.00 0.00 H new ATOM 1162 N SER A 75 -6.311 5.734 -22.476 1.00 0.00 N ATOM 1163 CA SER A 75 -6.884 4.403 -22.576 1.00 0.00 C ATOM 1164 C SER A 75 -6.397 3.717 -23.854 1.00 0.00 C ATOM 1165 O SER A 75 -6.037 4.385 -24.822 1.00 0.00 O ATOM 1166 CB SER A 75 -8.413 4.458 -22.553 1.00 0.00 C ATOM 1167 OG SER A 75 -8.930 4.363 -21.228 1.00 0.00 O ATOM 0 H SER A 75 -6.681 6.409 -23.145 1.00 0.00 H new ATOM 0 HA SER A 75 -6.555 3.824 -21.713 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.749 5.390 -23.008 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.814 3.645 -23.158 1.00 0.00 H new ATOM 0 HG SER A 75 -9.869 4.085 -21.262 1.00 0.00 H new ATOM 1173 N GLY A 76 -6.402 2.393 -23.816 1.00 0.00 N ATOM 1174 CA GLY A 76 -5.965 1.610 -24.960 1.00 0.00 C ATOM 1175 C GLY A 76 -4.760 2.261 -25.642 1.00 0.00 C ATOM 1176 O GLY A 76 -3.872 2.787 -24.972 1.00 0.00 O ATOM 0 H GLY A 76 -6.702 1.842 -23.011 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.704 0.602 -24.637 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.783 1.514 -25.674 1.00 0.00 H new TER 1180 GLY A 76