USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 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+ -124:sc= 0.111 (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= -0.0525 USER MOD Single : A 6 SER OG : rot 44:sc= 1.25 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= 0.617 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.16! C(o=-1.2!,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -155:sc= 0 (180deg=-0.151) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 28 SER OG : rot 180:sc= 0.00154 USER MOD Single : A 30 GLN : amide:sc=-0.000177 X(o=-0.00018,f=-0.013) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.622 K(o=0.62,f=-0.007) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 68 ASN : amide:sc=-0.00438 X(o=-0.0044,f=-0.013) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -51.116 36.701 -14.389 1.00 0.00 N ATOM 2 CA GLY A 1 -49.833 37.375 -14.495 1.00 0.00 C ATOM 3 C GLY A 1 -48.960 36.726 -15.571 1.00 0.00 C ATOM 4 O GLY A 1 -49.324 35.693 -16.131 1.00 0.00 O ATOM 0 H1 GLY A 1 -51.883 37.391 -14.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 -51.182 35.964 -15.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 -51.203 36.265 -13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -49.989 38.427 -14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -49.319 37.340 -13.534 1.00 0.00 H new ATOM 8 N SER A 2 -47.824 37.359 -15.828 1.00 0.00 N ATOM 9 CA SER A 2 -46.897 36.856 -16.827 1.00 0.00 C ATOM 10 C SER A 2 -45.545 37.559 -16.686 1.00 0.00 C ATOM 11 O SER A 2 -45.444 38.593 -16.028 1.00 0.00 O ATOM 12 CB SER A 2 -47.451 37.049 -18.240 1.00 0.00 C ATOM 13 OG SER A 2 -46.797 36.211 -19.189 1.00 0.00 O ATOM 0 H SER A 2 -47.525 38.215 -15.362 1.00 0.00 H new ATOM 0 HA SER A 2 -46.763 35.787 -16.662 1.00 0.00 H new ATOM 0 HB2 SER A 2 -48.520 36.835 -18.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 -47.334 38.092 -18.536 1.00 0.00 H new ATOM 0 HG SER A 2 -47.180 36.363 -20.078 1.00 0.00 H new ATOM 19 N SER A 3 -44.539 36.969 -17.316 1.00 0.00 N ATOM 20 CA SER A 3 -43.198 37.525 -17.269 1.00 0.00 C ATOM 21 C SER A 3 -42.678 37.519 -15.830 1.00 0.00 C ATOM 22 O SER A 3 -43.417 37.833 -14.898 1.00 0.00 O ATOM 23 CB SER A 3 -43.171 38.946 -17.836 1.00 0.00 C ATOM 24 OG SER A 3 -43.301 38.957 -19.255 1.00 0.00 O ATOM 0 H SER A 3 -44.626 36.112 -17.862 1.00 0.00 H new ATOM 0 HA SER A 3 -42.549 36.903 -17.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 -43.979 39.528 -17.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 -42.237 39.431 -17.554 1.00 0.00 H new ATOM 0 HG SER A 3 -43.281 39.882 -19.578 1.00 0.00 H new ATOM 30 N GLY A 4 -41.411 37.157 -15.694 1.00 0.00 N ATOM 31 CA GLY A 4 -40.784 37.105 -14.384 1.00 0.00 C ATOM 32 C GLY A 4 -40.341 35.681 -14.044 1.00 0.00 C ATOM 33 O GLY A 4 -41.174 34.794 -13.861 1.00 0.00 O ATOM 0 H GLY A 4 -40.801 36.897 -16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.923 37.772 -14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.483 37.462 -13.628 1.00 0.00 H new ATOM 37 N SER A 5 -39.029 35.505 -13.970 1.00 0.00 N ATOM 38 CA SER A 5 -38.465 34.204 -13.656 1.00 0.00 C ATOM 39 C SER A 5 -36.938 34.287 -13.633 1.00 0.00 C ATOM 40 O SER A 5 -36.350 35.159 -14.271 1.00 0.00 O ATOM 41 CB SER A 5 -38.924 33.147 -14.663 1.00 0.00 C ATOM 42 OG SER A 5 -38.097 31.987 -14.633 1.00 0.00 O ATOM 0 H SER A 5 -38.341 36.242 -14.122 1.00 0.00 H new ATOM 0 HA SER A 5 -38.821 33.906 -12.670 1.00 0.00 H new ATOM 0 HB2 SER A 5 -39.954 32.864 -14.447 1.00 0.00 H new ATOM 0 HB3 SER A 5 -38.914 33.573 -15.666 1.00 0.00 H new ATOM 0 HG SER A 5 -38.423 31.335 -15.288 1.00 0.00 H new ATOM 48 N SER A 6 -36.338 33.368 -12.890 1.00 0.00 N ATOM 49 CA SER A 6 -34.890 33.327 -12.776 1.00 0.00 C ATOM 50 C SER A 6 -34.474 32.236 -11.787 1.00 0.00 C ATOM 51 O SER A 6 -35.144 32.019 -10.779 1.00 0.00 O ATOM 52 CB SER A 6 -34.334 34.682 -12.335 1.00 0.00 C ATOM 53 OG SER A 6 -33.939 35.484 -13.445 1.00 0.00 O ATOM 0 H SER A 6 -36.828 32.646 -12.361 1.00 0.00 H new ATOM 0 HA SER A 6 -34.476 33.096 -13.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.089 35.212 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.479 34.526 -11.678 1.00 0.00 H new ATOM 0 HG SER A 6 -34.624 35.435 -14.144 1.00 0.00 H new ATOM 59 N GLY A 7 -33.371 31.578 -12.111 1.00 0.00 N ATOM 60 CA GLY A 7 -32.857 30.515 -11.264 1.00 0.00 C ATOM 61 C GLY A 7 -31.742 29.741 -11.970 1.00 0.00 C ATOM 62 O GLY A 7 -31.507 29.934 -13.162 1.00 0.00 O ATOM 0 H GLY A 7 -32.819 31.760 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.478 30.938 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.665 29.834 -10.999 1.00 0.00 H new ATOM 66 N THR A 8 -31.086 28.881 -11.205 1.00 0.00 N ATOM 67 CA THR A 8 -30.001 28.078 -11.742 1.00 0.00 C ATOM 68 C THR A 8 -29.632 26.959 -10.766 1.00 0.00 C ATOM 69 O THR A 8 -29.768 27.118 -9.554 1.00 0.00 O ATOM 70 CB THR A 8 -28.834 29.013 -12.064 1.00 0.00 C ATOM 71 OG1 THR A 8 -27.888 28.175 -12.721 1.00 0.00 O ATOM 72 CG2 THR A 8 -28.101 29.489 -10.807 1.00 0.00 C ATOM 0 H THR A 8 -31.285 28.723 -10.217 1.00 0.00 H new ATOM 0 HA THR A 8 -30.298 27.578 -12.664 1.00 0.00 H new ATOM 0 HB THR A 8 -29.203 29.876 -12.618 1.00 0.00 H new ATOM 0 HG1 THR A 8 -27.099 28.702 -12.967 1.00 0.00 H new ATOM 0 HG21 THR A 8 -27.282 30.150 -11.092 1.00 0.00 H new ATOM 0 HG22 THR A 8 -28.796 30.029 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 8 -27.703 28.628 -10.270 1.00 0.00 H new ATOM 80 N SER A 9 -29.172 25.852 -11.331 1.00 0.00 N ATOM 81 CA SER A 9 -28.783 24.707 -10.525 1.00 0.00 C ATOM 82 C SER A 9 -28.200 23.612 -11.420 1.00 0.00 C ATOM 83 O SER A 9 -28.495 23.558 -12.613 1.00 0.00 O ATOM 84 CB SER A 9 -29.970 24.165 -9.728 1.00 0.00 C ATOM 85 OG SER A 9 -29.946 24.600 -8.371 1.00 0.00 O ATOM 0 H SER A 9 -29.060 25.724 -12.337 1.00 0.00 H new ATOM 0 HA SER A 9 -28.022 25.031 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 9 -30.899 24.489 -10.196 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.961 23.075 -9.760 1.00 0.00 H new ATOM 0 HG SER A 9 -29.893 25.578 -8.342 1.00 0.00 H new ATOM 91 N SER A 10 -27.383 22.766 -10.810 1.00 0.00 N ATOM 92 CA SER A 10 -26.756 21.675 -11.537 1.00 0.00 C ATOM 93 C SER A 10 -25.857 20.868 -10.598 1.00 0.00 C ATOM 94 O SER A 10 -25.475 21.351 -9.533 1.00 0.00 O ATOM 95 CB SER A 10 -25.948 22.198 -12.726 1.00 0.00 C ATOM 96 OG SER A 10 -24.912 23.088 -12.317 1.00 0.00 O ATOM 0 H SER A 10 -27.141 22.814 -9.820 1.00 0.00 H new ATOM 0 HA SER A 10 -27.542 21.026 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.512 21.358 -13.266 1.00 0.00 H new ATOM 0 HB3 SER A 10 -26.614 22.711 -13.420 1.00 0.00 H new ATOM 0 HG SER A 10 -24.418 23.399 -13.104 1.00 0.00 H new ATOM 102 N ASN A 11 -25.546 19.654 -11.026 1.00 0.00 N ATOM 103 CA ASN A 11 -24.699 18.776 -10.237 1.00 0.00 C ATOM 104 C ASN A 11 -24.381 17.518 -11.047 1.00 0.00 C ATOM 105 O ASN A 11 -25.198 16.602 -11.125 1.00 0.00 O ATOM 106 CB ASN A 11 -25.404 18.343 -8.949 1.00 0.00 C ATOM 107 CG ASN A 11 -26.732 17.649 -9.258 1.00 0.00 C ATOM 108 OD1 ASN A 11 -27.635 18.215 -9.850 1.00 0.00 O ATOM 109 ND2 ASN A 11 -26.799 16.393 -8.824 1.00 0.00 N ATOM 0 H ASN A 11 -25.866 19.257 -11.910 1.00 0.00 H new ATOM 0 HA ASN A 11 -23.789 19.321 -9.985 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -24.759 17.668 -8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -25.583 19.213 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -27.644 15.844 -8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -26.005 15.979 -8.335 1.00 0.00 H new ATOM 116 N PRO A 12 -23.159 17.514 -11.645 1.00 0.00 N ATOM 117 CA PRO A 12 -22.722 16.383 -12.447 1.00 0.00 C ATOM 118 C PRO A 12 -22.330 15.201 -11.559 1.00 0.00 C ATOM 119 O PRO A 12 -22.629 14.052 -11.881 1.00 0.00 O ATOM 120 CB PRO A 12 -21.564 16.913 -13.276 1.00 0.00 C ATOM 121 CG PRO A 12 -21.096 18.179 -12.577 1.00 0.00 C ATOM 122 CD PRO A 12 -22.165 18.581 -11.574 1.00 0.00 C ATOM 0 HA PRO A 12 -23.510 15.994 -13.091 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.759 16.180 -13.337 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -21.880 17.125 -14.298 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.145 18.007 -12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.933 18.977 -13.301 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -21.752 18.671 -10.569 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.602 19.547 -11.827 1.00 0.00 H new ATOM 130 N VAL A 13 -21.666 15.523 -10.458 1.00 0.00 N ATOM 131 CA VAL A 13 -21.229 14.501 -9.522 1.00 0.00 C ATOM 132 C VAL A 13 -20.601 13.340 -10.296 1.00 0.00 C ATOM 133 O VAL A 13 -20.365 13.447 -11.498 1.00 0.00 O ATOM 134 CB VAL A 13 -22.401 14.066 -8.639 1.00 0.00 C ATOM 135 CG1 VAL A 13 -23.267 13.025 -9.351 1.00 0.00 C ATOM 136 CG2 VAL A 13 -21.905 13.538 -7.291 1.00 0.00 C ATOM 0 H VAL A 13 -21.420 16.477 -10.193 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.464 14.897 -8.854 1.00 0.00 H new ATOM 0 HB VAL A 13 -23.020 14.942 -8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -24.092 12.733 -8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.663 13.451 -10.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.663 12.149 -9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -22.757 13.236 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -21.253 12.680 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -21.351 14.322 -6.775 1.00 0.00 H new ATOM 146 N LEU A 14 -20.348 12.258 -9.574 1.00 0.00 N ATOM 147 CA LEU A 14 -19.752 11.079 -10.178 1.00 0.00 C ATOM 148 C LEU A 14 -19.754 9.935 -9.162 1.00 0.00 C ATOM 149 O LEU A 14 -19.319 10.109 -8.025 1.00 0.00 O ATOM 150 CB LEU A 14 -18.364 11.405 -10.734 1.00 0.00 C ATOM 151 CG LEU A 14 -17.281 11.712 -9.698 1.00 0.00 C ATOM 152 CD1 LEU A 14 -15.942 11.094 -10.105 1.00 0.00 C ATOM 153 CD2 LEU A 14 -17.167 13.218 -9.454 1.00 0.00 C ATOM 0 H LEU A 14 -20.545 12.173 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.343 10.749 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.030 10.563 -11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -18.454 12.262 -11.401 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.573 11.254 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.190 11.327 -9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.050 10.013 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.631 11.501 -11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.390 13.409 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.910 13.719 -10.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -18.120 13.600 -9.087 1.00 0.00 H new ATOM 165 N GLU A 15 -20.248 8.789 -9.610 1.00 0.00 N ATOM 166 CA GLU A 15 -20.312 7.617 -8.754 1.00 0.00 C ATOM 167 C GLU A 15 -20.425 6.347 -9.601 1.00 0.00 C ATOM 168 O GLU A 15 -21.500 6.027 -10.105 1.00 0.00 O ATOM 169 CB GLU A 15 -21.475 7.722 -7.766 1.00 0.00 C ATOM 170 CG GLU A 15 -21.231 6.845 -6.536 1.00 0.00 C ATOM 171 CD GLU A 15 -22.059 7.329 -5.344 1.00 0.00 C ATOM 172 OE1 GLU A 15 -21.655 8.351 -4.750 1.00 0.00 O ATOM 173 OE2 GLU A 15 -23.079 6.666 -5.055 1.00 0.00 O ATOM 0 H GLU A 15 -20.607 8.648 -10.554 1.00 0.00 H new ATOM 0 HA GLU A 15 -19.390 7.564 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -21.602 8.760 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.401 7.419 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -21.488 5.811 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -20.172 6.861 -6.278 1.00 0.00 H new ATOM 180 N LEU A 16 -19.300 5.659 -9.730 1.00 0.00 N ATOM 181 CA LEU A 16 -19.260 4.432 -10.507 1.00 0.00 C ATOM 182 C LEU A 16 -17.904 3.751 -10.307 1.00 0.00 C ATOM 183 O LEU A 16 -16.861 4.345 -10.577 1.00 0.00 O ATOM 184 CB LEU A 16 -19.596 4.714 -11.973 1.00 0.00 C ATOM 185 CG LEU A 16 -18.725 4.002 -13.010 1.00 0.00 C ATOM 186 CD1 LEU A 16 -19.039 2.505 -13.055 1.00 0.00 C ATOM 187 CD2 LEU A 16 -18.863 4.658 -14.385 1.00 0.00 C ATOM 0 H LEU A 16 -18.410 5.928 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.022 3.735 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -20.635 4.435 -12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.522 5.788 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 16 -17.683 4.103 -12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -18.406 2.023 -13.800 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -18.849 2.064 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.086 2.361 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.234 4.133 -15.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.903 4.609 -14.709 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -18.551 5.701 -14.324 1.00 0.00 H new ATOM 199 N GLU A 17 -17.962 2.514 -9.836 1.00 0.00 N ATOM 200 CA GLU A 17 -16.752 1.747 -9.596 1.00 0.00 C ATOM 201 C GLU A 17 -17.068 0.250 -9.578 1.00 0.00 C ATOM 202 O GLU A 17 -18.054 -0.173 -8.976 1.00 0.00 O ATOM 203 CB GLU A 17 -16.076 2.181 -8.294 1.00 0.00 C ATOM 204 CG GLU A 17 -14.938 3.166 -8.569 1.00 0.00 C ATOM 205 CD GLU A 17 -15.191 4.504 -7.872 1.00 0.00 C ATOM 206 OE1 GLU A 17 -16.344 4.980 -7.958 1.00 0.00 O ATOM 207 OE2 GLU A 17 -14.226 5.021 -7.269 1.00 0.00 O ATOM 0 H GLU A 17 -18.829 2.024 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.054 1.942 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.811 2.644 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.687 1.306 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.995 2.744 -8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.841 3.324 -9.643 1.00 0.00 H new ATOM 214 N LEU A 18 -16.212 -0.511 -10.244 1.00 0.00 N ATOM 215 CA LEU A 18 -16.388 -1.952 -10.312 1.00 0.00 C ATOM 216 C LEU A 18 -15.046 -2.638 -10.049 1.00 0.00 C ATOM 217 O LEU A 18 -14.030 -1.970 -9.862 1.00 0.00 O ATOM 218 CB LEU A 18 -17.033 -2.351 -11.641 1.00 0.00 C ATOM 219 CG LEU A 18 -16.647 -1.504 -12.855 1.00 0.00 C ATOM 220 CD1 LEU A 18 -16.855 -2.283 -14.155 1.00 0.00 C ATOM 221 CD2 LEU A 18 -17.402 -0.173 -12.857 1.00 0.00 C ATOM 0 H LEU A 18 -15.395 -0.157 -10.741 1.00 0.00 H new ATOM 0 HA LEU A 18 -17.076 -2.289 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.775 -3.389 -11.850 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.116 -2.309 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 18 -15.584 -1.271 -12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.573 -1.658 -15.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.237 -3.181 -14.144 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.904 -2.566 -14.246 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.109 0.410 -13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.475 -0.363 -12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.160 0.384 -11.952 1.00 0.00 H new ATOM 233 N ALA A 19 -15.085 -3.962 -10.044 1.00 0.00 N ATOM 234 CA ALA A 19 -13.885 -4.746 -9.807 1.00 0.00 C ATOM 235 C ALA A 19 -13.765 -5.826 -10.884 1.00 0.00 C ATOM 236 O ALA A 19 -14.179 -6.965 -10.674 1.00 0.00 O ATOM 237 CB ALA A 19 -13.928 -5.333 -8.395 1.00 0.00 C ATOM 0 H ALA A 19 -15.930 -4.512 -10.200 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.997 -4.117 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.027 -5.921 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -13.982 -4.524 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.805 -5.973 -8.293 1.00 0.00 H new ATOM 243 N GLU A 20 -13.198 -5.430 -12.014 1.00 0.00 N ATOM 244 CA GLU A 20 -13.018 -6.350 -13.124 1.00 0.00 C ATOM 245 C GLU A 20 -12.141 -5.714 -14.204 1.00 0.00 C ATOM 246 O GLU A 20 -11.792 -4.538 -14.113 1.00 0.00 O ATOM 247 CB GLU A 20 -14.368 -6.784 -13.699 1.00 0.00 C ATOM 248 CG GLU A 20 -14.745 -8.185 -13.214 1.00 0.00 C ATOM 249 CD GLU A 20 -16.162 -8.202 -12.636 1.00 0.00 C ATOM 250 OE1 GLU A 20 -16.336 -7.621 -11.544 1.00 0.00 O ATOM 251 OE2 GLU A 20 -17.039 -8.797 -13.300 1.00 0.00 O ATOM 0 H GLU A 20 -12.857 -4.484 -12.185 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.513 -7.242 -12.753 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -15.139 -6.073 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.324 -6.772 -14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.678 -8.891 -14.042 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.035 -8.515 -12.456 1.00 0.00 H new ATOM 258 N GLU A 21 -11.810 -6.520 -15.203 1.00 0.00 N ATOM 259 CA GLU A 21 -10.980 -6.051 -16.299 1.00 0.00 C ATOM 260 C GLU A 21 -9.856 -5.157 -15.770 1.00 0.00 C ATOM 261 O GLU A 21 -9.480 -4.179 -16.414 1.00 0.00 O ATOM 262 CB GLU A 21 -11.819 -5.314 -17.346 1.00 0.00 C ATOM 263 CG GLU A 21 -12.121 -6.219 -18.542 1.00 0.00 C ATOM 264 CD GLU A 21 -12.843 -7.493 -18.098 1.00 0.00 C ATOM 265 OE1 GLU A 21 -14.055 -7.387 -17.811 1.00 0.00 O ATOM 266 OE2 GLU A 21 -12.167 -8.543 -18.055 1.00 0.00 O ATOM 0 H GLU A 21 -12.102 -7.495 -15.276 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.531 -6.917 -16.784 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.753 -4.975 -16.897 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.287 -4.425 -17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.736 -5.681 -19.263 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.192 -6.481 -19.048 1.00 0.00 H new ATOM 273 N LYS A 22 -9.352 -5.525 -14.602 1.00 0.00 N ATOM 274 CA LYS A 22 -8.279 -4.769 -13.978 1.00 0.00 C ATOM 275 C LYS A 22 -7.160 -4.545 -14.997 1.00 0.00 C ATOM 276 O LYS A 22 -7.136 -5.183 -16.049 1.00 0.00 O ATOM 277 CB LYS A 22 -7.813 -5.460 -12.695 1.00 0.00 C ATOM 278 CG LYS A 22 -7.332 -4.435 -11.665 1.00 0.00 C ATOM 279 CD LYS A 22 -7.747 -4.844 -10.250 1.00 0.00 C ATOM 280 CE LYS A 22 -7.774 -3.633 -9.315 1.00 0.00 C ATOM 281 NZ LYS A 22 -7.987 -4.063 -7.916 1.00 0.00 N ATOM 0 H LYS A 22 -9.667 -6.337 -14.071 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.634 -3.785 -13.672 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.631 -6.046 -12.276 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.006 -6.156 -12.925 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.247 -4.343 -11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.747 -3.455 -11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.732 -5.310 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.052 -5.590 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.836 -3.084 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.569 -2.951 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.003 -3.229 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.894 -4.567 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.215 -4.696 -7.626 1.00 0.00 H new ATOM 295 N LEU A 23 -6.260 -3.637 -14.650 1.00 0.00 N ATOM 296 CA LEU A 23 -5.141 -3.321 -15.521 1.00 0.00 C ATOM 297 C LEU A 23 -3.901 -4.084 -15.050 1.00 0.00 C ATOM 298 O LEU A 23 -3.801 -4.449 -13.879 1.00 0.00 O ATOM 299 CB LEU A 23 -4.937 -1.807 -15.604 1.00 0.00 C ATOM 300 CG LEU A 23 -5.855 -1.059 -16.572 1.00 0.00 C ATOM 301 CD1 LEU A 23 -6.591 0.079 -15.861 1.00 0.00 C ATOM 302 CD2 LEU A 23 -5.078 -0.564 -17.794 1.00 0.00 C ATOM 0 H LEU A 23 -6.283 -3.110 -13.777 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.348 -3.648 -16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.073 -1.387 -14.607 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.904 -1.615 -15.893 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.611 -1.756 -16.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.237 0.595 -16.572 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.196 -0.329 -15.051 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.865 0.783 -15.453 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.755 -0.036 -18.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.285 0.112 -17.472 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.640 -1.415 -18.316 1.00 0.00 H new ATOM 314 N PRO A 24 -2.964 -4.308 -16.009 1.00 0.00 N ATOM 315 CA PRO A 24 -1.735 -5.020 -15.704 1.00 0.00 C ATOM 316 C PRO A 24 -0.768 -4.133 -14.917 1.00 0.00 C ATOM 317 O PRO A 24 -1.069 -2.973 -14.641 1.00 0.00 O ATOM 318 CB PRO A 24 -1.183 -5.450 -17.053 1.00 0.00 C ATOM 319 CG PRO A 24 -1.870 -4.569 -18.084 1.00 0.00 C ATOM 320 CD PRO A 24 -3.049 -3.890 -17.406 1.00 0.00 C ATOM 0 HA PRO A 24 -1.899 -5.886 -15.062 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.101 -5.324 -17.090 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.388 -6.504 -17.241 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.175 -3.826 -18.475 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.209 -5.166 -18.931 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.989 -2.806 -17.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.994 -4.197 -17.854 1.00 0.00 H new ATOM 328 N MET A 25 0.374 -4.713 -14.579 1.00 0.00 N ATOM 329 CA MET A 25 1.388 -3.989 -13.830 1.00 0.00 C ATOM 330 C MET A 25 1.704 -2.646 -14.491 1.00 0.00 C ATOM 331 O MET A 25 1.715 -2.541 -15.717 1.00 0.00 O ATOM 332 CB MET A 25 2.662 -4.832 -13.749 1.00 0.00 C ATOM 333 CG MET A 25 3.042 -5.114 -12.295 1.00 0.00 C ATOM 334 SD MET A 25 4.796 -5.421 -12.170 1.00 0.00 S ATOM 335 CE MET A 25 4.876 -6.094 -10.518 1.00 0.00 C ATOM 0 H MET A 25 0.620 -5.676 -14.810 1.00 0.00 H new ATOM 0 HA MET A 25 1.005 -3.797 -12.828 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.514 -5.773 -14.279 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.479 -4.311 -14.248 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.767 -4.266 -11.668 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.486 -5.976 -11.926 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.873 -5.932 -10.107 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.138 -5.598 -9.887 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.666 -7.163 -10.550 1.00 0.00 H new ATOM 345 N THR A 26 1.953 -1.653 -13.650 1.00 0.00 N ATOM 346 CA THR A 26 2.269 -0.321 -14.138 1.00 0.00 C ATOM 347 C THR A 26 3.524 0.216 -13.448 1.00 0.00 C ATOM 348 O THR A 26 4.452 0.676 -14.111 1.00 0.00 O ATOM 349 CB THR A 26 1.037 0.562 -13.932 1.00 0.00 C ATOM 350 OG1 THR A 26 0.594 0.239 -12.616 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.133 0.155 -14.829 1.00 0.00 C ATOM 0 H THR A 26 1.942 -1.744 -12.634 1.00 0.00 H new ATOM 0 HA THR A 26 2.503 -0.335 -15.203 1.00 0.00 H new ATOM 0 HB THR A 26 1.300 1.602 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.202 0.768 -12.400 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.981 0.814 -14.642 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.165 0.235 -15.874 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.418 -0.874 -14.610 1.00 0.00 H new ATOM 359 N LEU A 27 3.512 0.139 -12.125 1.00 0.00 N ATOM 360 CA LEU A 27 4.638 0.612 -11.338 1.00 0.00 C ATOM 361 C LEU A 27 5.495 -0.583 -10.913 1.00 0.00 C ATOM 362 O LEU A 27 4.968 -1.617 -10.507 1.00 0.00 O ATOM 363 CB LEU A 27 4.151 1.466 -10.166 1.00 0.00 C ATOM 364 CG LEU A 27 2.972 2.396 -10.458 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.270 2.815 -9.165 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.417 3.603 -11.286 1.00 0.00 C ATOM 0 H LEU A 27 2.740 -0.244 -11.579 1.00 0.00 H new ATOM 0 HA LEU A 27 5.274 1.265 -11.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.870 0.801 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.986 2.071 -9.811 1.00 0.00 H new ATOM 0 HG LEU A 27 2.244 1.847 -11.055 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.436 3.476 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.897 1.930 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.976 3.339 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.560 4.248 -11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.175 4.162 -10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.834 3.261 -12.233 1.00 0.00 H new ATOM 378 N SER A 28 6.803 -0.400 -11.023 1.00 0.00 N ATOM 379 CA SER A 28 7.738 -1.449 -10.655 1.00 0.00 C ATOM 380 C SER A 28 7.973 -1.436 -9.143 1.00 0.00 C ATOM 381 O SER A 28 7.624 -0.470 -8.466 1.00 0.00 O ATOM 382 CB SER A 28 9.065 -1.290 -11.399 1.00 0.00 C ATOM 383 OG SER A 28 9.580 0.035 -11.295 1.00 0.00 O ATOM 0 H SER A 28 7.237 0.459 -11.362 1.00 0.00 H new ATOM 0 HA SER A 28 7.305 -2.408 -10.940 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.793 -1.994 -10.997 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.924 -1.543 -12.450 1.00 0.00 H new ATOM 0 HG SER A 28 10.429 0.095 -11.782 1.00 0.00 H new ATOM 389 N ARG A 29 8.562 -2.519 -8.658 1.00 0.00 N ATOM 390 CA ARG A 29 8.847 -2.644 -7.239 1.00 0.00 C ATOM 391 C ARG A 29 9.285 -1.295 -6.665 1.00 0.00 C ATOM 392 O ARG A 29 8.575 -0.700 -5.856 1.00 0.00 O ATOM 393 CB ARG A 29 9.945 -3.679 -6.987 1.00 0.00 C ATOM 394 CG ARG A 29 10.879 -3.792 -8.193 1.00 0.00 C ATOM 395 CD ARG A 29 10.582 -5.059 -8.999 1.00 0.00 C ATOM 396 NE ARG A 29 10.334 -4.711 -10.416 1.00 0.00 N ATOM 397 CZ ARG A 29 11.261 -4.198 -11.237 1.00 0.00 C ATOM 398 NH1 ARG A 29 12.503 -3.972 -10.787 1.00 0.00 N ATOM 399 NH2 ARG A 29 10.946 -3.913 -12.508 1.00 0.00 N ATOM 0 H ARG A 29 8.850 -3.318 -9.223 1.00 0.00 H new ATOM 0 HA ARG A 29 7.933 -2.973 -6.745 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.518 -3.398 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.494 -4.649 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.763 -2.915 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.915 -3.806 -7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.421 -5.751 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.713 -5.569 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 29 9.399 -4.872 -10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.743 -4.190 -9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.209 -3.582 -11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.001 -4.086 -12.850 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.651 -3.523 -13.133 1.00 0.00 H new ATOM 413 N GLN A 30 10.453 -0.851 -7.106 1.00 0.00 N ATOM 414 CA GLN A 30 10.995 0.416 -6.646 1.00 0.00 C ATOM 415 C GLN A 30 9.934 1.515 -6.749 1.00 0.00 C ATOM 416 O GLN A 30 9.713 2.260 -5.796 1.00 0.00 O ATOM 417 CB GLN A 30 12.252 0.793 -7.432 1.00 0.00 C ATOM 418 CG GLN A 30 13.514 0.317 -6.709 1.00 0.00 C ATOM 419 CD GLN A 30 14.716 0.304 -7.654 1.00 0.00 C ATOM 420 OE1 GLN A 30 14.736 -0.376 -8.667 1.00 0.00 O ATOM 421 NE2 GLN A 30 15.716 1.093 -7.269 1.00 0.00 N ATOM 0 H GLN A 30 11.039 -1.347 -7.778 1.00 0.00 H new ATOM 0 HA GLN A 30 11.280 0.309 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.210 0.350 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.291 1.874 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.720 0.971 -5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.352 -0.683 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.635 1.636 -6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.563 1.155 -7.833 1.00 0.00 H new ATOM 430 N GLU A 31 9.307 1.580 -7.915 1.00 0.00 N ATOM 431 CA GLU A 31 8.276 2.575 -8.155 1.00 0.00 C ATOM 432 C GLU A 31 7.175 2.463 -7.098 1.00 0.00 C ATOM 433 O GLU A 31 6.467 3.432 -6.829 1.00 0.00 O ATOM 434 CB GLU A 31 7.699 2.438 -9.565 1.00 0.00 C ATOM 435 CG GLU A 31 7.102 3.763 -10.045 1.00 0.00 C ATOM 436 CD GLU A 31 7.046 3.817 -11.573 1.00 0.00 C ATOM 437 OE1 GLU A 31 7.014 2.725 -12.179 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.037 4.951 -12.100 1.00 0.00 O ATOM 0 H GLU A 31 9.493 0.960 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 31 8.728 3.564 -8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.482 2.118 -10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.931 1.665 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.099 3.883 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.701 4.593 -9.670 1.00 0.00 H new ATOM 445 N VAL A 32 7.064 1.272 -6.528 1.00 0.00 N ATOM 446 CA VAL A 32 6.061 1.021 -5.508 1.00 0.00 C ATOM 447 C VAL A 32 6.683 1.228 -4.125 1.00 0.00 C ATOM 448 O VAL A 32 6.011 1.681 -3.200 1.00 0.00 O ATOM 449 CB VAL A 32 5.466 -0.377 -5.692 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.610 -0.771 -4.487 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.660 -0.463 -6.989 1.00 0.00 C ATOM 0 H VAL A 32 7.653 0.470 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 32 5.236 1.727 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 32 6.291 -1.086 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.199 -1.768 -4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.225 -0.769 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.795 -0.057 -4.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.248 -1.467 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.847 0.262 -6.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.310 -0.246 -7.836 1.00 0.00 H new ATOM 461 N ILE A 33 7.960 0.888 -4.029 1.00 0.00 N ATOM 462 CA ILE A 33 8.680 1.032 -2.775 1.00 0.00 C ATOM 463 C ILE A 33 8.818 2.518 -2.439 1.00 0.00 C ATOM 464 O ILE A 33 8.718 2.906 -1.276 1.00 0.00 O ATOM 465 CB ILE A 33 10.016 0.288 -2.837 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.802 -1.227 -2.820 1.00 0.00 C ATOM 467 CG2 ILE A 33 10.951 0.748 -1.716 1.00 0.00 C ATOM 468 CD1 ILE A 33 11.066 -1.964 -3.266 1.00 0.00 C ATOM 0 H ILE A 33 8.514 0.513 -4.799 1.00 0.00 H new ATOM 0 HA ILE A 33 8.122 0.571 -1.960 1.00 0.00 H new ATOM 0 HB ILE A 33 10.500 0.533 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.525 -1.548 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.973 -1.488 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.893 0.204 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.141 1.817 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.486 0.551 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.887 -3.039 -3.245 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.326 -1.659 -4.280 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.887 -1.720 -2.592 1.00 0.00 H new ATOM 480 N ARG A 34 9.046 3.308 -3.477 1.00 0.00 N ATOM 481 CA ARG A 34 9.199 4.743 -3.306 1.00 0.00 C ATOM 482 C ARG A 34 8.022 5.311 -2.510 1.00 0.00 C ATOM 483 O ARG A 34 8.195 5.767 -1.380 1.00 0.00 O ATOM 484 CB ARG A 34 9.281 5.454 -4.658 1.00 0.00 C ATOM 485 CG ARG A 34 10.677 6.035 -4.889 1.00 0.00 C ATOM 486 CD ARG A 34 10.710 6.898 -6.152 1.00 0.00 C ATOM 487 NE ARG A 34 12.099 7.322 -6.439 1.00 0.00 N ATOM 488 CZ ARG A 34 12.421 8.343 -7.244 1.00 0.00 C ATOM 489 NH1 ARG A 34 11.457 9.051 -7.847 1.00 0.00 N ATOM 490 NH2 ARG A 34 13.709 8.656 -7.447 1.00 0.00 N ATOM 0 H ARG A 34 9.129 2.982 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 34 10.128 4.914 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.038 4.753 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.540 6.252 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.973 6.634 -4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.401 5.225 -4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.310 6.337 -6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.073 7.773 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 34 12.858 6.804 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.477 8.813 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.703 9.828 -8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.443 8.117 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.954 9.433 -8.060 1.00 0.00 H new ATOM 504 N ARG A 35 6.852 5.265 -3.130 1.00 0.00 N ATOM 505 CA ARG A 35 5.647 5.769 -2.493 1.00 0.00 C ATOM 506 C ARG A 35 5.472 5.135 -1.112 1.00 0.00 C ATOM 507 O ARG A 35 5.433 5.837 -0.103 1.00 0.00 O ATOM 508 CB ARG A 35 4.410 5.473 -3.343 1.00 0.00 C ATOM 509 CG ARG A 35 4.394 6.337 -4.606 1.00 0.00 C ATOM 510 CD ARG A 35 4.811 5.523 -5.832 1.00 0.00 C ATOM 511 NE ARG A 35 4.599 6.318 -7.063 1.00 0.00 N ATOM 512 CZ ARG A 35 3.412 6.467 -7.666 1.00 0.00 C ATOM 513 NH1 ARG A 35 2.323 5.878 -7.156 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.315 7.207 -8.779 1.00 0.00 N ATOM 0 H ARG A 35 6.713 4.886 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 35 5.753 6.849 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.398 4.419 -3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.509 5.660 -2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.395 6.746 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.069 7.184 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.860 5.237 -5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.232 4.601 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 35 5.407 6.781 -7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.397 5.316 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.419 5.992 -7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.145 7.656 -9.167 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.412 7.321 -9.239 1.00 0.00 H new ATOM 528 N LEU A 36 5.371 3.814 -1.111 1.00 0.00 N ATOM 529 CA LEU A 36 5.201 3.077 0.130 1.00 0.00 C ATOM 530 C LEU A 36 6.093 3.693 1.210 1.00 0.00 C ATOM 531 O LEU A 36 5.596 4.267 2.178 1.00 0.00 O ATOM 532 CB LEU A 36 5.449 1.584 -0.095 1.00 0.00 C ATOM 533 CG LEU A 36 4.419 0.857 -0.961 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.931 -0.524 -1.378 1.00 0.00 C ATOM 535 CD2 LEU A 36 3.065 0.777 -0.254 1.00 0.00 C ATOM 0 H LEU A 36 5.404 3.235 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 36 4.172 3.156 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.430 1.464 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.490 1.092 0.877 1.00 0.00 H new ATOM 0 HG LEU A 36 4.271 1.435 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.180 -1.020 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.852 -0.413 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.126 -1.124 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.352 0.255 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.176 0.235 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.701 1.784 -0.050 1.00 0.00 H new ATOM 547 N ARG A 37 7.395 3.552 1.009 1.00 0.00 N ATOM 548 CA ARG A 37 8.361 4.087 1.953 1.00 0.00 C ATOM 549 C ARG A 37 7.939 5.486 2.408 1.00 0.00 C ATOM 550 O ARG A 37 7.853 5.753 3.605 1.00 0.00 O ATOM 551 CB ARG A 37 9.757 4.159 1.332 1.00 0.00 C ATOM 552 CG ARG A 37 10.564 2.899 1.651 1.00 0.00 C ATOM 553 CD ARG A 37 12.063 3.205 1.695 1.00 0.00 C ATOM 554 NE ARG A 37 12.807 2.021 2.181 1.00 0.00 N ATOM 555 CZ ARG A 37 14.102 2.037 2.526 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.803 3.176 2.442 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.694 0.915 2.956 1.00 0.00 N ATOM 0 H ARG A 37 7.804 3.075 0.206 1.00 0.00 H new ATOM 0 HA ARG A 37 8.393 3.416 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.673 4.278 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.282 5.037 1.709 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.244 2.491 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.367 2.136 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.415 3.484 0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.250 4.056 2.350 1.00 0.00 H new ATOM 0 HE ARG A 37 12.303 1.138 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.351 4.030 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.789 3.189 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.159 0.049 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.680 0.927 3.219 1.00 0.00 H new ATOM 571 N GLU A 38 7.689 6.341 1.428 1.00 0.00 N ATOM 572 CA GLU A 38 7.279 7.706 1.712 1.00 0.00 C ATOM 573 C GLU A 38 5.991 7.712 2.537 1.00 0.00 C ATOM 574 O GLU A 38 5.798 8.579 3.388 1.00 0.00 O ATOM 575 CB GLU A 38 7.106 8.507 0.420 1.00 0.00 C ATOM 576 CG GLU A 38 8.239 9.522 0.249 1.00 0.00 C ATOM 577 CD GLU A 38 7.908 10.837 0.957 1.00 0.00 C ATOM 578 OE1 GLU A 38 7.915 10.826 2.207 1.00 0.00 O ATOM 579 OE2 GLU A 38 7.655 11.824 0.233 1.00 0.00 O ATOM 0 H GLU A 38 7.762 6.115 0.436 1.00 0.00 H new ATOM 0 HA GLU A 38 8.064 8.186 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.088 7.829 -0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.147 9.026 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.164 9.111 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.408 9.708 -0.812 1.00 0.00 H new ATOM 586 N ARG A 39 5.141 6.735 2.256 1.00 0.00 N ATOM 587 CA ARG A 39 3.876 6.617 2.962 1.00 0.00 C ATOM 588 C ARG A 39 4.075 5.881 4.289 1.00 0.00 C ATOM 589 O ARG A 39 3.147 5.774 5.088 1.00 0.00 O ATOM 590 CB ARG A 39 2.844 5.865 2.120 1.00 0.00 C ATOM 591 CG ARG A 39 2.780 6.429 0.699 1.00 0.00 C ATOM 592 CD ARG A 39 1.334 6.717 0.288 1.00 0.00 C ATOM 593 NE ARG A 39 1.223 8.094 -0.242 1.00 0.00 N ATOM 594 CZ ARG A 39 1.082 9.185 0.524 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.033 9.065 1.858 1.00 0.00 N ATOM 596 NH2 ARG A 39 0.989 10.395 -0.043 1.00 0.00 N ATOM 0 H ARG A 39 5.303 6.018 1.549 1.00 0.00 H new ATOM 0 HA ARG A 39 3.508 7.625 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.101 4.806 2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.863 5.939 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.368 7.345 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.226 5.719 0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.013 6.001 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.672 6.594 1.145 1.00 0.00 H new ATOM 0 HE ARG A 39 1.256 8.221 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.103 8.144 2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.926 9.895 2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.025 10.487 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.882 11.225 0.540 1.00 0.00 H new ATOM 610 N GLY A 40 5.292 5.394 4.482 1.00 0.00 N ATOM 611 CA GLY A 40 5.625 4.672 5.698 1.00 0.00 C ATOM 612 C GLY A 40 5.114 3.231 5.637 1.00 0.00 C ATOM 613 O GLY A 40 5.148 2.514 6.635 1.00 0.00 O ATOM 0 H GLY A 40 6.060 5.485 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.706 4.673 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.189 5.180 6.558 1.00 0.00 H new ATOM 617 N GLU A 41 4.653 2.850 4.454 1.00 0.00 N ATOM 618 CA GLU A 41 4.136 1.507 4.250 1.00 0.00 C ATOM 619 C GLU A 41 5.288 0.510 4.110 1.00 0.00 C ATOM 620 O GLU A 41 6.401 0.889 3.748 1.00 0.00 O ATOM 621 CB GLU A 41 3.215 1.455 3.029 1.00 0.00 C ATOM 622 CG GLU A 41 2.097 2.493 3.141 1.00 0.00 C ATOM 623 CD GLU A 41 0.790 1.845 3.604 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.874 0.719 4.139 1.00 0.00 O ATOM 625 OE2 GLU A 41 -0.263 2.490 3.411 1.00 0.00 O ATOM 0 H GLU A 41 4.627 3.447 3.628 1.00 0.00 H new ATOM 0 HA GLU A 41 3.545 1.229 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.795 1.636 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.783 0.458 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.389 3.273 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.946 2.975 2.175 1.00 0.00 H new ATOM 632 N PRO A 42 4.974 -0.778 4.414 1.00 0.00 N ATOM 633 CA PRO A 42 5.970 -1.832 4.326 1.00 0.00 C ATOM 634 C PRO A 42 6.245 -2.206 2.868 1.00 0.00 C ATOM 635 O PRO A 42 5.346 -2.654 2.158 1.00 0.00 O ATOM 636 CB PRO A 42 5.397 -2.983 5.136 1.00 0.00 C ATOM 637 CG PRO A 42 3.908 -2.705 5.259 1.00 0.00 C ATOM 638 CD PRO A 42 3.667 -1.262 4.846 1.00 0.00 C ATOM 0 HA PRO A 42 6.940 -1.528 4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.577 -3.937 4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.866 -3.041 6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.339 -3.384 4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.572 -2.870 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.935 -1.197 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.281 -0.671 5.677 1.00 0.00 H new ATOM 646 N ILE A 43 7.492 -2.008 2.465 1.00 0.00 N ATOM 647 CA ILE A 43 7.897 -2.319 1.104 1.00 0.00 C ATOM 648 C ILE A 43 7.556 -3.779 0.796 1.00 0.00 C ATOM 649 O ILE A 43 7.074 -4.091 -0.291 1.00 0.00 O ATOM 650 CB ILE A 43 9.372 -1.975 0.893 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.236 -2.546 2.019 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.565 -0.465 0.731 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.225 -3.581 1.481 1.00 0.00 C ATOM 0 H ILE A 43 8.235 -1.636 3.057 1.00 0.00 H new ATOM 0 HA ILE A 43 7.345 -1.705 0.392 1.00 0.00 H new ATOM 0 HB ILE A 43 9.702 -2.443 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.780 -1.739 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.598 -3.006 2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.623 -0.247 0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.998 -0.116 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.212 0.045 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.827 -3.971 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.677 -4.399 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.877 -3.112 0.744 1.00 0.00 H new ATOM 665 N ARG A 44 7.819 -4.633 1.774 1.00 0.00 N ATOM 666 CA ARG A 44 7.546 -6.052 1.621 1.00 0.00 C ATOM 667 C ARG A 44 6.869 -6.601 2.878 1.00 0.00 C ATOM 668 O ARG A 44 7.477 -6.646 3.946 1.00 0.00 O ATOM 669 CB ARG A 44 8.834 -6.836 1.361 1.00 0.00 C ATOM 670 CG ARG A 44 8.542 -8.327 1.181 1.00 0.00 C ATOM 671 CD ARG A 44 7.654 -8.568 -0.042 1.00 0.00 C ATOM 672 NE ARG A 44 8.025 -9.844 -0.693 1.00 0.00 N ATOM 673 CZ ARG A 44 9.164 -10.037 -1.372 1.00 0.00 C ATOM 674 NH1 ARG A 44 10.050 -9.040 -1.491 1.00 0.00 N ATOM 675 NH2 ARG A 44 9.417 -11.229 -1.930 1.00 0.00 N ATOM 0 H ARG A 44 8.218 -4.370 2.675 1.00 0.00 H new ATOM 0 HA ARG A 44 6.882 -6.171 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.326 -6.448 0.469 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.524 -6.695 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.478 -8.874 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.051 -8.716 2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.607 -8.595 0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.762 -7.745 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 44 7.373 -10.625 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.858 -8.133 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.917 -9.187 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.743 -11.989 -1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.284 -11.376 -2.447 1.00 0.00 H new ATOM 689 N LEU A 45 5.618 -7.005 2.709 1.00 0.00 N ATOM 690 CA LEU A 45 4.851 -7.549 3.816 1.00 0.00 C ATOM 691 C LEU A 45 5.350 -8.960 4.132 1.00 0.00 C ATOM 692 O LEU A 45 6.365 -9.399 3.593 1.00 0.00 O ATOM 693 CB LEU A 45 3.352 -7.479 3.516 1.00 0.00 C ATOM 694 CG LEU A 45 2.639 -6.199 3.955 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.510 -5.840 2.986 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.140 -6.317 5.397 1.00 0.00 C ATOM 0 H LEU A 45 5.117 -6.966 1.821 1.00 0.00 H new ATOM 0 HA LEU A 45 5.001 -6.949 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.211 -7.600 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.865 -8.326 3.999 1.00 0.00 H new ATOM 0 HG LEU A 45 3.359 -5.381 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.020 -4.926 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.922 -5.686 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.783 -6.652 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.637 -5.394 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.441 -7.150 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.986 -6.491 6.062 1.00 0.00 H new ATOM 708 N PHE A 46 4.614 -9.632 5.005 1.00 0.00 N ATOM 709 CA PHE A 46 4.969 -10.985 5.399 1.00 0.00 C ATOM 710 C PHE A 46 4.245 -12.017 4.532 1.00 0.00 C ATOM 711 O PHE A 46 3.283 -12.641 4.976 1.00 0.00 O ATOM 712 CB PHE A 46 4.526 -11.158 6.853 1.00 0.00 C ATOM 713 CG PHE A 46 5.364 -12.166 7.643 1.00 0.00 C ATOM 714 CD1 PHE A 46 5.415 -13.466 7.247 1.00 0.00 C ATOM 715 CD2 PHE A 46 6.057 -11.762 8.741 1.00 0.00 C ATOM 716 CE1 PHE A 46 6.192 -14.402 7.979 1.00 0.00 C ATOM 717 CE2 PHE A 46 6.834 -12.698 9.474 1.00 0.00 C ATOM 718 CZ PHE A 46 6.885 -13.998 9.078 1.00 0.00 C ATOM 0 H PHE A 46 3.773 -9.265 5.451 1.00 0.00 H new ATOM 0 HA PHE A 46 6.042 -11.138 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.572 -10.191 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.483 -11.476 6.869 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.864 -13.787 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.017 -10.730 9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.233 -15.434 7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.384 -12.377 10.346 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.476 -14.710 9.636 1.00 0.00 H new ATOM 728 N GLY A 47 4.736 -12.164 3.310 1.00 0.00 N ATOM 729 CA GLY A 47 4.148 -13.109 2.376 1.00 0.00 C ATOM 730 C GLY A 47 3.509 -12.384 1.190 1.00 0.00 C ATOM 731 O GLY A 47 2.364 -12.656 0.835 1.00 0.00 O ATOM 0 H GLY A 47 5.534 -11.644 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.915 -13.795 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.396 -13.710 2.887 1.00 0.00 H new ATOM 735 N GLU A 48 4.279 -11.474 0.610 1.00 0.00 N ATOM 736 CA GLU A 48 3.803 -10.707 -0.528 1.00 0.00 C ATOM 737 C GLU A 48 4.701 -10.949 -1.743 1.00 0.00 C ATOM 738 O GLU A 48 5.710 -11.645 -1.645 1.00 0.00 O ATOM 739 CB GLU A 48 3.725 -9.217 -0.192 1.00 0.00 C ATOM 740 CG GLU A 48 2.284 -8.795 0.099 1.00 0.00 C ATOM 741 CD GLU A 48 2.055 -7.329 -0.277 1.00 0.00 C ATOM 742 OE1 GLU A 48 2.934 -6.779 -0.975 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.007 -6.793 0.142 1.00 0.00 O ATOM 0 H GLU A 48 5.229 -11.251 0.907 1.00 0.00 H new ATOM 0 HA GLU A 48 2.795 -11.043 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.352 -9.002 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.118 -8.632 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.596 -9.429 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.065 -8.941 1.157 1.00 0.00 H new ATOM 750 N THR A 49 4.301 -10.360 -2.861 1.00 0.00 N ATOM 751 CA THR A 49 5.057 -10.503 -4.094 1.00 0.00 C ATOM 752 C THR A 49 5.313 -9.133 -4.724 1.00 0.00 C ATOM 753 O THR A 49 5.088 -8.102 -4.090 1.00 0.00 O ATOM 754 CB THR A 49 4.290 -11.459 -5.010 1.00 0.00 C ATOM 755 OG1 THR A 49 2.924 -11.101 -4.821 1.00 0.00 O ATOM 756 CG2 THR A 49 4.364 -12.911 -4.534 1.00 0.00 C ATOM 0 H THR A 49 3.463 -9.783 -2.939 1.00 0.00 H new ATOM 0 HA THR A 49 6.043 -10.929 -3.907 1.00 0.00 H new ATOM 0 HB THR A 49 4.687 -11.388 -6.022 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.356 -11.671 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.804 -13.547 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.405 -13.233 -4.509 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.936 -12.988 -3.534 1.00 0.00 H new ATOM 764 N ASP A 50 5.781 -9.165 -5.963 1.00 0.00 N ATOM 765 CA ASP A 50 6.071 -7.938 -6.685 1.00 0.00 C ATOM 766 C ASP A 50 4.760 -7.309 -7.161 1.00 0.00 C ATOM 767 O ASP A 50 4.696 -6.105 -7.404 1.00 0.00 O ATOM 768 CB ASP A 50 6.936 -8.215 -7.916 1.00 0.00 C ATOM 769 CG ASP A 50 8.397 -8.555 -7.616 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.975 -7.862 -6.752 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.903 -9.501 -8.259 1.00 0.00 O ATOM 0 H ASP A 50 5.967 -10.021 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 50 6.606 -7.269 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.494 -9.040 -8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.908 -7.340 -8.565 1.00 0.00 H new ATOM 776 N TYR A 51 3.745 -8.153 -7.279 1.00 0.00 N ATOM 777 CA TYR A 51 2.438 -7.695 -7.721 1.00 0.00 C ATOM 778 C TYR A 51 1.559 -7.312 -6.529 1.00 0.00 C ATOM 779 O TYR A 51 0.805 -6.343 -6.595 1.00 0.00 O ATOM 780 CB TYR A 51 1.801 -8.879 -8.450 1.00 0.00 C ATOM 781 CG TYR A 51 0.883 -8.477 -9.606 1.00 0.00 C ATOM 782 CD1 TYR A 51 -0.154 -7.592 -9.388 1.00 0.00 C ATOM 783 CD2 TYR A 51 1.092 -8.999 -10.867 1.00 0.00 C ATOM 784 CE1 TYR A 51 -1.018 -7.214 -10.476 1.00 0.00 C ATOM 785 CE2 TYR A 51 0.227 -8.621 -11.955 1.00 0.00 C ATOM 786 CZ TYR A 51 -0.785 -7.747 -11.706 1.00 0.00 C ATOM 787 OH TYR A 51 -1.601 -7.389 -12.733 1.00 0.00 O ATOM 0 H TYR A 51 3.801 -9.151 -7.076 1.00 0.00 H new ATOM 0 HA TYR A 51 2.535 -6.815 -8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.591 -9.524 -8.835 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.229 -9.469 -7.734 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.317 -7.183 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.904 -9.691 -11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.833 -6.523 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.379 -9.022 -12.946 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.316 -7.846 -13.552 1.00 0.00 H new ATOM 797 N ASP A 52 1.685 -8.095 -5.466 1.00 0.00 N ATOM 798 CA ASP A 52 0.911 -7.850 -4.261 1.00 0.00 C ATOM 799 C ASP A 52 1.276 -6.476 -3.696 1.00 0.00 C ATOM 800 O ASP A 52 0.398 -5.662 -3.415 1.00 0.00 O ATOM 801 CB ASP A 52 1.214 -8.899 -3.189 1.00 0.00 C ATOM 802 CG ASP A 52 0.036 -9.255 -2.282 1.00 0.00 C ATOM 803 OD1 ASP A 52 -0.589 -8.305 -1.763 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.214 -10.470 -2.127 1.00 0.00 O ATOM 0 H ASP A 52 2.311 -8.899 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.146 -7.898 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.563 -9.808 -3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.034 -8.537 -2.569 1.00 0.00 H new ATOM 809 N ALA A 53 2.575 -6.260 -3.545 1.00 0.00 N ATOM 810 CA ALA A 53 3.068 -4.999 -3.017 1.00 0.00 C ATOM 811 C ALA A 53 2.643 -3.862 -3.948 1.00 0.00 C ATOM 812 O ALA A 53 2.301 -2.773 -3.488 1.00 0.00 O ATOM 813 CB ALA A 53 4.586 -5.076 -2.846 1.00 0.00 C ATOM 0 H ALA A 53 3.301 -6.937 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 53 2.639 -4.799 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.956 -4.130 -2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.834 -5.881 -2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.051 -5.272 -3.812 1.00 0.00 H new ATOM 819 N PHE A 54 2.677 -4.153 -5.240 1.00 0.00 N ATOM 820 CA PHE A 54 2.300 -3.168 -6.239 1.00 0.00 C ATOM 821 C PHE A 54 0.842 -2.737 -6.062 1.00 0.00 C ATOM 822 O PHE A 54 0.565 -1.573 -5.778 1.00 0.00 O ATOM 823 CB PHE A 54 2.460 -3.834 -7.607 1.00 0.00 C ATOM 824 CG PHE A 54 1.647 -3.171 -8.721 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.694 -1.822 -8.886 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.879 -3.931 -9.547 1.00 0.00 C ATOM 827 CE1 PHE A 54 0.939 -1.207 -9.920 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.124 -3.316 -10.581 1.00 0.00 C ATOM 829 CZ PHE A 54 0.171 -1.967 -10.746 1.00 0.00 C ATOM 0 H PHE A 54 2.960 -5.057 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 54 2.927 -2.282 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.514 -3.822 -7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.163 -4.880 -7.528 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.305 -1.219 -8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.843 -5.003 -9.417 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.975 -0.135 -10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.487 -3.919 -11.236 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.402 -1.499 -11.533 1.00 0.00 H new ATOM 839 N GLN A 55 -0.051 -3.700 -6.238 1.00 0.00 N ATOM 840 CA GLN A 55 -1.473 -3.435 -6.101 1.00 0.00 C ATOM 841 C GLN A 55 -1.752 -2.700 -4.788 1.00 0.00 C ATOM 842 O GLN A 55 -2.646 -1.858 -4.722 1.00 0.00 O ATOM 843 CB GLN A 55 -2.282 -4.731 -6.187 1.00 0.00 C ATOM 844 CG GLN A 55 -2.066 -5.424 -7.533 1.00 0.00 C ATOM 845 CD GLN A 55 -3.146 -5.020 -8.539 1.00 0.00 C ATOM 846 OE1 GLN A 55 -4.254 -5.531 -8.537 1.00 0.00 O ATOM 847 NE2 GLN A 55 -2.763 -4.076 -9.394 1.00 0.00 N ATOM 0 H GLN A 55 0.183 -4.664 -6.474 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.785 -2.795 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.990 -5.401 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.341 -4.512 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.083 -5.164 -7.926 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.079 -6.505 -7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.820 -3.691 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.412 -3.737 -10.104 1.00 0.00 H new ATOM 856 N ARG A 56 -0.970 -3.046 -3.776 1.00 0.00 N ATOM 857 CA ARG A 56 -1.122 -2.429 -2.469 1.00 0.00 C ATOM 858 C ARG A 56 -0.965 -0.911 -2.577 1.00 0.00 C ATOM 859 O ARG A 56 -1.890 -0.164 -2.264 1.00 0.00 O ATOM 860 CB ARG A 56 -0.090 -2.974 -1.480 1.00 0.00 C ATOM 861 CG ARG A 56 -0.553 -2.770 -0.036 1.00 0.00 C ATOM 862 CD ARG A 56 0.075 -3.811 0.893 1.00 0.00 C ATOM 863 NE ARG A 56 -0.810 -4.993 1.000 1.00 0.00 N ATOM 864 CZ ARG A 56 -2.019 -4.977 1.576 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.496 -3.840 2.101 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.752 -6.097 1.627 1.00 0.00 N ATOM 0 H ARG A 56 -0.230 -3.745 -3.834 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.120 -2.668 -2.103 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.073 -4.035 -1.667 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.866 -2.473 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.282 -1.768 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.640 -2.840 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.051 -4.110 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.239 -3.378 1.880 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.478 -5.875 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.938 -2.987 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.417 -3.828 2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.389 -6.962 1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.673 -6.084 2.066 1.00 0.00 H new ATOM 880 N LEU A 57 0.215 -0.501 -3.020 1.00 0.00 N ATOM 881 CA LEU A 57 0.505 0.915 -3.173 1.00 0.00 C ATOM 882 C LEU A 57 -0.484 1.530 -4.165 1.00 0.00 C ATOM 883 O LEU A 57 -1.113 2.545 -3.871 1.00 0.00 O ATOM 884 CB LEU A 57 1.972 1.122 -3.558 1.00 0.00 C ATOM 885 CG LEU A 57 2.378 2.556 -3.904 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.065 2.876 -5.367 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.728 3.556 -2.946 1.00 0.00 C ATOM 0 H LEU A 57 0.981 -1.124 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 57 0.371 1.436 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.596 0.778 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.196 0.485 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 57 3.457 2.646 -3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.363 3.901 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.613 2.192 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.995 2.764 -5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.033 4.568 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.643 3.474 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.044 3.340 -1.925 1.00 0.00 H new ATOM 899 N ARG A 58 -0.590 0.889 -5.320 1.00 0.00 N ATOM 900 CA ARG A 58 -1.492 1.361 -6.357 1.00 0.00 C ATOM 901 C ARG A 58 -2.856 1.708 -5.757 1.00 0.00 C ATOM 902 O ARG A 58 -3.597 2.514 -6.316 1.00 0.00 O ATOM 903 CB ARG A 58 -1.677 0.305 -7.449 1.00 0.00 C ATOM 904 CG ARG A 58 -1.297 0.863 -8.821 1.00 0.00 C ATOM 905 CD ARG A 58 -2.467 1.626 -9.446 1.00 0.00 C ATOM 906 NE ARG A 58 -3.497 0.674 -9.919 1.00 0.00 N ATOM 907 CZ ARG A 58 -4.634 1.039 -10.526 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.894 2.336 -10.738 1.00 0.00 N ATOM 909 NH2 ARG A 58 -5.511 0.106 -10.922 1.00 0.00 N ATOM 0 H ARG A 58 -0.066 0.047 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.049 2.253 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.063 -0.567 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.714 -0.031 -7.463 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.437 1.526 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.997 0.047 -9.479 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.899 2.308 -8.714 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.112 2.234 -10.278 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.331 -0.322 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.226 3.046 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.760 2.614 -11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.313 -0.881 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.377 0.383 -11.384 1.00 0.00 H new ATOM 923 N LYS A 59 -3.146 1.081 -4.626 1.00 0.00 N ATOM 924 CA LYS A 59 -4.408 1.314 -3.944 1.00 0.00 C ATOM 925 C LYS A 59 -4.226 2.427 -2.910 1.00 0.00 C ATOM 926 O LYS A 59 -5.134 3.226 -2.687 1.00 0.00 O ATOM 927 CB LYS A 59 -4.946 0.009 -3.354 1.00 0.00 C ATOM 928 CG LYS A 59 -6.078 0.281 -2.361 1.00 0.00 C ATOM 929 CD LYS A 59 -7.250 0.988 -3.046 1.00 0.00 C ATOM 930 CE LYS A 59 -8.499 0.105 -3.044 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.498 0.618 -4.008 1.00 0.00 N ATOM 0 H LYS A 59 -2.529 0.412 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.166 1.655 -4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.308 -0.635 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.140 -0.528 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.419 -0.659 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.707 0.895 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.463 1.926 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.979 1.239 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.228 -0.919 -3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.931 0.078 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.340 0.007 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.769 1.587 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.088 0.621 -4.964 1.00 0.00 H new ATOM 945 N ILE A 60 -3.047 2.442 -2.305 1.00 0.00 N ATOM 946 CA ILE A 60 -2.735 3.444 -1.300 1.00 0.00 C ATOM 947 C ILE A 60 -2.787 4.834 -1.938 1.00 0.00 C ATOM 948 O ILE A 60 -3.368 5.759 -1.372 1.00 0.00 O ATOM 949 CB ILE A 60 -1.399 3.127 -0.625 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.492 1.841 0.198 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.915 4.311 0.215 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.121 1.442 0.748 1.00 0.00 C ATOM 0 H ILE A 60 -2.297 1.777 -2.491 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.480 3.430 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.655 2.958 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.191 1.982 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.888 1.036 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.036 4.060 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.784 5.183 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.652 4.535 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.215 0.525 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.569 1.278 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.261 2.239 1.387 1.00 0.00 H new ATOM 964 N GLU A 61 -2.173 4.937 -3.107 1.00 0.00 N ATOM 965 CA GLU A 61 -2.143 6.198 -3.828 1.00 0.00 C ATOM 966 C GLU A 61 -3.556 6.767 -3.963 1.00 0.00 C ATOM 967 O GLU A 61 -3.752 7.979 -3.881 1.00 0.00 O ATOM 968 CB GLU A 61 -1.486 6.030 -5.200 1.00 0.00 C ATOM 969 CG GLU A 61 0.004 5.712 -5.059 1.00 0.00 C ATOM 970 CD GLU A 61 0.788 6.944 -4.603 1.00 0.00 C ATOM 971 OE1 GLU A 61 0.855 7.902 -5.404 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.301 6.901 -3.465 1.00 0.00 O ATOM 0 H GLU A 61 -1.692 4.168 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.541 6.905 -3.257 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.982 5.230 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.613 6.943 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.140 4.904 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.396 5.360 -6.013 1.00 0.00 H new ATOM 979 N ILE A 62 -4.506 5.865 -4.167 1.00 0.00 N ATOM 980 CA ILE A 62 -5.896 6.262 -4.314 1.00 0.00 C ATOM 981 C ILE A 62 -6.378 6.906 -3.012 1.00 0.00 C ATOM 982 O ILE A 62 -6.781 8.068 -3.003 1.00 0.00 O ATOM 983 CB ILE A 62 -6.747 5.074 -4.764 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.189 4.454 -6.047 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.216 5.477 -4.914 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.831 3.092 -6.322 1.00 0.00 C ATOM 0 H ILE A 62 -4.340 4.861 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.997 7.012 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.701 4.308 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.372 5.123 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.108 4.340 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.799 4.614 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.595 5.835 -3.957 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.302 6.270 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.417 2.673 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.625 2.418 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.909 3.213 -6.433 1.00 0.00 H new ATOM 998 N LEU A 63 -6.321 6.123 -1.945 1.00 0.00 N ATOM 999 CA LEU A 63 -6.747 6.602 -0.642 1.00 0.00 C ATOM 1000 C LEU A 63 -6.190 8.009 -0.413 1.00 0.00 C ATOM 1001 O LEU A 63 -6.875 9.000 -0.659 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.360 5.602 0.450 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.103 4.265 0.429 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.299 3.180 1.147 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.512 4.413 1.008 1.00 0.00 C ATOM 0 H LEU A 63 -5.986 5.160 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.834 6.678 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.291 5.402 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.525 6.071 1.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.212 3.950 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.850 2.240 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.336 3.053 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.137 3.473 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.019 3.449 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.447 4.761 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.075 5.135 0.416 1.00 0.00 H new ATOM 1017 N THR A 64 -4.951 8.051 0.056 1.00 0.00 N ATOM 1018 CA THR A 64 -4.294 9.319 0.320 1.00 0.00 C ATOM 1019 C THR A 64 -4.657 10.343 -0.757 1.00 0.00 C ATOM 1020 O THR A 64 -4.877 9.983 -1.912 1.00 0.00 O ATOM 1021 CB THR A 64 -2.790 9.059 0.428 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.325 10.073 1.315 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.051 9.342 -0.882 1.00 0.00 C ATOM 0 H THR A 64 -4.385 7.227 0.260 1.00 0.00 H new ATOM 0 HA THR A 64 -4.633 9.751 1.262 1.00 0.00 H new ATOM 0 HB THR A 64 -2.621 8.023 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.358 9.978 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.988 9.142 -0.751 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.447 8.700 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.192 10.386 -1.161 1.00 0.00 H new ATOM 1031 N PRO A 65 -4.711 11.633 -0.329 1.00 0.00 N ATOM 1032 CA PRO A 65 -5.045 12.712 -1.243 1.00 0.00 C ATOM 1033 C PRO A 65 -3.868 13.031 -2.167 1.00 0.00 C ATOM 1034 O PRO A 65 -2.943 12.231 -2.299 1.00 0.00 O ATOM 1035 CB PRO A 65 -5.433 13.879 -0.350 1.00 0.00 C ATOM 1036 CG PRO A 65 -4.859 13.562 1.022 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.457 12.097 1.032 1.00 0.00 C ATOM 0 HA PRO A 65 -5.863 12.455 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.031 14.816 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.516 13.992 -0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.997 14.196 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.597 13.761 1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.408 11.976 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.040 11.531 1.758 1.00 0.00 H new ATOM 1045 N GLU A 66 -3.940 14.202 -2.782 1.00 0.00 N ATOM 1046 CA GLU A 66 -2.892 14.637 -3.689 1.00 0.00 C ATOM 1047 C GLU A 66 -2.394 13.459 -4.529 1.00 0.00 C ATOM 1048 O GLU A 66 -1.372 12.854 -4.211 1.00 0.00 O ATOM 1049 CB GLU A 66 -1.740 15.291 -2.923 1.00 0.00 C ATOM 1050 CG GLU A 66 -1.368 16.641 -3.540 1.00 0.00 C ATOM 1051 CD GLU A 66 0.041 17.065 -3.120 1.00 0.00 C ATOM 1052 OE1 GLU A 66 0.257 17.181 -1.894 1.00 0.00 O ATOM 1053 OE2 GLU A 66 0.870 17.263 -4.034 1.00 0.00 O ATOM 0 H GLU A 66 -4.708 14.863 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.309 15.387 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.025 15.430 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.872 14.632 -2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.424 16.576 -4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.088 17.398 -3.229 1.00 0.00 H new ATOM 1060 N VAL A 67 -3.141 13.169 -5.585 1.00 0.00 N ATOM 1061 CA VAL A 67 -2.788 12.074 -6.472 1.00 0.00 C ATOM 1062 C VAL A 67 -3.706 12.099 -7.696 1.00 0.00 C ATOM 1063 O VAL A 67 -4.439 11.143 -7.945 1.00 0.00 O ATOM 1064 CB VAL A 67 -2.839 10.747 -5.713 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.280 10.375 -5.357 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -2.166 9.631 -6.513 1.00 0.00 C ATOM 0 H VAL A 67 -3.988 13.673 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.765 12.188 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.285 10.872 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.289 9.428 -4.818 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.712 11.154 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.867 10.278 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.216 8.699 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.678 9.507 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.123 9.890 -6.693 1.00 0.00 H new ATOM 1076 N ASN A 68 -3.637 13.202 -8.426 1.00 0.00 N ATOM 1077 CA ASN A 68 -4.454 13.364 -9.617 1.00 0.00 C ATOM 1078 C ASN A 68 -3.709 12.786 -10.822 1.00 0.00 C ATOM 1079 O ASN A 68 -2.766 13.395 -11.324 1.00 0.00 O ATOM 1080 CB ASN A 68 -4.732 14.842 -9.897 1.00 0.00 C ATOM 1081 CG ASN A 68 -5.952 15.007 -10.806 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -7.069 14.664 -10.457 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -5.676 15.551 -11.988 1.00 0.00 N ATOM 0 H ASN A 68 -3.028 13.993 -8.216 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.398 12.845 -9.453 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.900 15.369 -8.958 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.860 15.297 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.423 15.704 -12.666 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.718 15.816 -12.216 1.00 0.00 H new ATOM 1090 N LYS A 69 -4.162 11.617 -11.252 1.00 0.00 N ATOM 1091 CA LYS A 69 -3.551 10.950 -12.389 1.00 0.00 C ATOM 1092 C LYS A 69 -4.631 10.214 -13.184 1.00 0.00 C ATOM 1093 O LYS A 69 -5.439 9.485 -12.612 1.00 0.00 O ATOM 1094 CB LYS A 69 -2.404 10.048 -11.928 1.00 0.00 C ATOM 1095 CG LYS A 69 -1.830 9.249 -13.100 1.00 0.00 C ATOM 1096 CD LYS A 69 -0.670 8.362 -12.644 1.00 0.00 C ATOM 1097 CE LYS A 69 0.670 9.080 -12.817 1.00 0.00 C ATOM 1098 NZ LYS A 69 1.666 8.559 -11.854 1.00 0.00 N ATOM 0 H LYS A 69 -4.945 11.115 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.101 11.680 -13.062 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.618 10.654 -11.477 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.761 9.365 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.612 8.632 -13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.486 9.932 -13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.807 8.087 -11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.668 7.436 -13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.034 8.943 -13.835 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.537 10.151 -12.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.569 9.057 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.324 8.712 -10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.805 7.541 -12.015 1.00 0.00 H new ATOM 1112 N GLY A 70 -4.610 10.431 -14.491 1.00 0.00 N ATOM 1113 CA GLY A 70 -5.578 9.798 -15.371 1.00 0.00 C ATOM 1114 C GLY A 70 -5.734 8.313 -15.035 1.00 0.00 C ATOM 1115 O GLY A 70 -4.761 7.645 -14.689 1.00 0.00 O ATOM 0 H GLY A 70 -3.938 11.036 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.542 10.299 -15.278 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.260 9.909 -16.408 1.00 0.00 H new ATOM 1119 N SER A 71 -6.967 7.841 -15.148 1.00 0.00 N ATOM 1120 CA SER A 71 -7.263 6.447 -14.861 1.00 0.00 C ATOM 1121 C SER A 71 -6.313 5.538 -15.642 1.00 0.00 C ATOM 1122 O SER A 71 -5.583 4.744 -15.052 1.00 0.00 O ATOM 1123 CB SER A 71 -8.717 6.113 -15.200 1.00 0.00 C ATOM 1124 OG SER A 71 -9.564 6.193 -14.057 1.00 0.00 O ATOM 0 H SER A 71 -7.772 8.398 -15.434 1.00 0.00 H new ATOM 0 HA SER A 71 -7.119 6.279 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.077 6.799 -15.967 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.770 5.109 -15.621 1.00 0.00 H new ATOM 0 HG SER A 71 -10.484 5.975 -14.315 1.00 0.00 H new ATOM 1130 N GLY A 72 -6.353 5.685 -16.958 1.00 0.00 N ATOM 1131 CA GLY A 72 -5.505 4.887 -17.827 1.00 0.00 C ATOM 1132 C GLY A 72 -6.266 4.437 -19.075 1.00 0.00 C ATOM 1133 O GLY A 72 -7.495 4.379 -19.070 1.00 0.00 O ATOM 0 H GLY A 72 -6.960 6.345 -17.444 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.630 5.468 -18.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.141 4.014 -17.284 1.00 0.00 H new ATOM 1137 N PRO A 73 -5.485 4.122 -20.143 1.00 0.00 N ATOM 1138 CA PRO A 73 -6.073 3.679 -21.395 1.00 0.00 C ATOM 1139 C PRO A 73 -6.569 2.235 -21.288 1.00 0.00 C ATOM 1140 O PRO A 73 -6.248 1.535 -20.329 1.00 0.00 O ATOM 1141 CB PRO A 73 -4.973 3.854 -22.430 1.00 0.00 C ATOM 1142 CG PRO A 73 -3.674 3.946 -21.645 1.00 0.00 C ATOM 1143 CD PRO A 73 -4.027 4.179 -20.185 1.00 0.00 C ATOM 0 HA PRO A 73 -6.957 4.254 -21.671 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.952 3.013 -23.123 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.135 4.753 -23.024 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.095 3.029 -21.756 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.056 4.761 -22.023 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.582 3.418 -19.544 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.658 5.144 -19.837 1.00 0.00 H new ATOM 1151 N SER A 74 -7.343 1.833 -22.286 1.00 0.00 N ATOM 1152 CA SER A 74 -7.886 0.486 -22.316 1.00 0.00 C ATOM 1153 C SER A 74 -6.892 -0.464 -22.987 1.00 0.00 C ATOM 1154 O SER A 74 -6.187 -0.075 -23.917 1.00 0.00 O ATOM 1155 CB SER A 74 -9.230 0.450 -23.046 1.00 0.00 C ATOM 1156 OG SER A 74 -10.223 -0.249 -22.301 1.00 0.00 O ATOM 0 H SER A 74 -7.607 2.417 -23.080 1.00 0.00 H new ATOM 0 HA SER A 74 -8.052 0.161 -21.289 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.568 1.469 -23.234 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.102 -0.028 -24.017 1.00 0.00 H new ATOM 0 HG SER A 74 -11.067 -0.248 -22.800 1.00 0.00 H new ATOM 1162 N SER A 75 -6.867 -1.691 -22.488 1.00 0.00 N ATOM 1163 CA SER A 75 -5.971 -2.700 -23.028 1.00 0.00 C ATOM 1164 C SER A 75 -4.517 -2.253 -22.860 1.00 0.00 C ATOM 1165 O SER A 75 -3.942 -1.648 -23.764 1.00 0.00 O ATOM 1166 CB SER A 75 -6.275 -2.975 -24.502 1.00 0.00 C ATOM 1167 OG SER A 75 -5.673 -4.185 -24.954 1.00 0.00 O ATOM 0 H SER A 75 -7.452 -2.009 -21.716 1.00 0.00 H new ATOM 0 HA SER A 75 -6.126 -3.626 -22.474 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.354 -3.031 -24.645 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.916 -2.143 -25.108 1.00 0.00 H new ATOM 0 HG SER A 75 -5.892 -4.326 -25.899 1.00 0.00 H new ATOM 1173 N GLY A 76 -3.965 -2.567 -21.697 1.00 0.00 N ATOM 1174 CA GLY A 76 -2.590 -2.205 -21.400 1.00 0.00 C ATOM 1175 C GLY A 76 -1.696 -2.393 -22.627 1.00 0.00 C ATOM 1176 O GLY A 76 -1.429 -1.439 -23.357 1.00 0.00 O ATOM 0 H GLY A 76 -4.445 -3.068 -20.950 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.547 -1.167 -21.070 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.219 -2.817 -20.578 1.00 0.00 H new TER 1180 GLY A 76