USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 GLN : amide:sc= -0.0631 K(o=-1.1,f=-2.7) USER MOD Set 1.2: A 80 MET CE :methyl -151:sc= -1.04 (180deg=-2.88!) USER MOD Set 2.1: A 50 HIS : no HD1:sc= -2.35 K(o=-3.9,f=-3.2) USER MOD Set 2.2: A 83 ASN : amide:sc= -1.56 K(o=-3.9,f=-4.7) USER MOD Set 3.1: A 41 CYS SG : rot 48:sc= -6.05! USER MOD Set 3.2: A 51 THR OG1 : rot 88:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 16 ASN : amide:sc=-0.00772 K(o=-0.0077,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -85:sc= 0.744 USER MOD Single : A 21 GLN : amide:sc= -0.0586 K(o=-0.059,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 32 SER OG : rot -113:sc= 1.19 USER MOD Single : A 34 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.37) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -131:sc= -1.35 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 59 SER OG : rot 150:sc= 0.00133 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.179 USER MOD Single : A 70 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.036) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.66 USER MOD Single : A 86 SER OG : rot 37:sc= 0.765 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 90 SER OG : rot 44:sc= 0.37 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.060 -13.431 9.912 1.00 0.00 N ATOM 2 CA GLY A 1 -1.845 -13.190 8.714 1.00 0.00 C ATOM 3 C GLY A 1 -2.650 -14.432 8.325 1.00 0.00 C ATOM 4 O GLY A 1 -3.787 -14.600 8.761 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.524 -12.573 10.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.694 -13.677 10.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.399 -14.216 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.521 -12.352 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.185 -12.909 7.893 1.00 0.00 H new ATOM 8 N SER A 2 -2.027 -15.270 7.510 1.00 0.00 N ATOM 9 CA SER A 2 -2.671 -16.492 7.058 1.00 0.00 C ATOM 10 C SER A 2 -1.790 -17.699 7.385 1.00 0.00 C ATOM 11 O SER A 2 -0.580 -17.666 7.168 1.00 0.00 O ATOM 12 CB SER A 2 -2.961 -16.438 5.557 1.00 0.00 C ATOM 13 OG SER A 2 -3.846 -15.373 5.222 1.00 0.00 O ATOM 0 H SER A 2 -1.083 -15.127 7.151 1.00 0.00 H new ATOM 0 HA SER A 2 -3.622 -16.592 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.025 -16.317 5.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.396 -17.385 5.238 1.00 0.00 H new ATOM 0 HG SER A 2 -4.005 -15.371 4.255 1.00 0.00 H new ATOM 19 N SER A 3 -2.432 -18.736 7.902 1.00 0.00 N ATOM 20 CA SER A 3 -1.722 -19.952 8.262 1.00 0.00 C ATOM 21 C SER A 3 -1.808 -20.966 7.119 1.00 0.00 C ATOM 22 O SER A 3 -2.835 -21.620 6.941 1.00 0.00 O ATOM 23 CB SER A 3 -2.283 -20.557 9.551 1.00 0.00 C ATOM 24 OG SER A 3 -1.296 -21.291 10.269 1.00 0.00 O ATOM 0 H SER A 3 -3.436 -18.760 8.080 1.00 0.00 H new ATOM 0 HA SER A 3 -0.676 -19.698 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.675 -19.761 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.119 -21.214 9.310 1.00 0.00 H new ATOM 0 HG SER A 3 -1.692 -21.660 11.086 1.00 0.00 H new ATOM 30 N GLY A 4 -0.717 -21.064 6.374 1.00 0.00 N ATOM 31 CA GLY A 4 -0.656 -21.987 5.254 1.00 0.00 C ATOM 32 C GLY A 4 0.637 -22.804 5.285 1.00 0.00 C ATOM 33 O GLY A 4 1.358 -22.794 6.282 1.00 0.00 O ATOM 0 H GLY A 4 0.132 -20.519 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.515 -22.658 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.717 -21.432 4.318 1.00 0.00 H new ATOM 37 N SER A 5 0.893 -23.491 4.182 1.00 0.00 N ATOM 38 CA SER A 5 2.087 -24.312 4.071 1.00 0.00 C ATOM 39 C SER A 5 2.713 -24.140 2.685 1.00 0.00 C ATOM 40 O SER A 5 2.433 -24.916 1.773 1.00 0.00 O ATOM 41 CB SER A 5 1.768 -25.785 4.330 1.00 0.00 C ATOM 42 OG SER A 5 2.849 -26.638 3.961 1.00 0.00 O ATOM 0 H SER A 5 0.294 -23.496 3.357 1.00 0.00 H new ATOM 0 HA SER A 5 2.800 -23.984 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.539 -25.926 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.876 -26.067 3.770 1.00 0.00 H new ATOM 0 HG SER A 5 2.607 -27.570 4.143 1.00 0.00 H new ATOM 48 N SER A 6 3.547 -23.117 2.571 1.00 0.00 N ATOM 49 CA SER A 6 4.215 -22.833 1.312 1.00 0.00 C ATOM 50 C SER A 6 3.181 -22.497 0.235 1.00 0.00 C ATOM 51 O SER A 6 2.407 -23.359 -0.177 1.00 0.00 O ATOM 52 CB SER A 6 5.079 -24.016 0.868 1.00 0.00 C ATOM 53 OG SER A 6 5.730 -23.764 -0.374 1.00 0.00 O ATOM 0 H SER A 6 3.775 -22.475 3.330 1.00 0.00 H new ATOM 0 HA SER A 6 4.870 -21.974 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.826 -24.227 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.456 -24.906 0.777 1.00 0.00 H new ATOM 0 HG SER A 6 6.273 -24.541 -0.623 1.00 0.00 H new ATOM 59 N GLY A 7 3.203 -21.242 -0.189 1.00 0.00 N ATOM 60 CA GLY A 7 2.277 -20.781 -1.210 1.00 0.00 C ATOM 61 C GLY A 7 2.744 -19.456 -1.816 1.00 0.00 C ATOM 62 O GLY A 7 3.242 -18.585 -1.104 1.00 0.00 O ATOM 0 H GLY A 7 3.847 -20.530 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.191 -21.533 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.285 -20.657 -0.777 1.00 0.00 H new ATOM 66 N GLU A 8 2.567 -19.346 -3.124 1.00 0.00 N ATOM 67 CA GLU A 8 2.964 -18.142 -3.834 1.00 0.00 C ATOM 68 C GLU A 8 1.763 -17.536 -4.564 1.00 0.00 C ATOM 69 O GLU A 8 1.895 -17.051 -5.687 1.00 0.00 O ATOM 70 CB GLU A 8 4.108 -18.432 -4.808 1.00 0.00 C ATOM 71 CG GLU A 8 3.681 -19.449 -5.868 1.00 0.00 C ATOM 72 CD GLU A 8 4.824 -19.736 -6.844 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.972 -18.939 -7.796 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.524 -20.746 -6.616 1.00 0.00 O ATOM 0 H GLU A 8 2.154 -20.071 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 8 3.326 -17.417 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.422 -17.507 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.970 -18.813 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.370 -20.375 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.818 -19.069 -6.415 1.00 0.00 H new ATOM 81 N LYS A 9 0.620 -17.582 -3.895 1.00 0.00 N ATOM 82 CA LYS A 9 -0.603 -17.044 -4.466 1.00 0.00 C ATOM 83 C LYS A 9 -0.630 -15.527 -4.265 1.00 0.00 C ATOM 84 O LYS A 9 -1.575 -14.990 -3.689 1.00 0.00 O ATOM 85 CB LYS A 9 -1.825 -17.762 -3.890 1.00 0.00 C ATOM 86 CG LYS A 9 -1.859 -19.226 -4.333 1.00 0.00 C ATOM 87 CD LYS A 9 -3.057 -19.956 -3.723 1.00 0.00 C ATOM 88 CE LYS A 9 -2.630 -21.285 -3.097 1.00 0.00 C ATOM 89 NZ LYS A 9 -3.073 -22.420 -3.936 1.00 0.00 N ATOM 0 H LYS A 9 0.515 -17.983 -2.963 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.633 -17.225 -5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.804 -17.708 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.735 -17.258 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.911 -19.279 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.936 -19.722 -4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.523 -19.326 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.807 -20.137 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.546 -21.309 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.056 -21.376 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.775 -23.314 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.109 -22.405 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.647 -22.340 -4.881 1.00 0.00 H new ATOM 103 N THR A 10 0.419 -14.879 -4.750 1.00 0.00 N ATOM 104 CA THR A 10 0.528 -13.435 -4.631 1.00 0.00 C ATOM 105 C THR A 10 0.341 -12.771 -5.997 1.00 0.00 C ATOM 106 O THR A 10 0.592 -13.389 -7.030 1.00 0.00 O ATOM 107 CB THR A 10 1.874 -13.114 -3.978 1.00 0.00 C ATOM 108 OG1 THR A 10 2.768 -14.073 -4.537 1.00 0.00 O ATOM 109 CG2 THR A 10 1.886 -13.423 -2.480 1.00 0.00 C ATOM 0 H THR A 10 1.201 -15.328 -5.226 1.00 0.00 H new ATOM 0 HA THR A 10 -0.261 -13.030 -3.998 1.00 0.00 H new ATOM 0 HB THR A 10 2.111 -12.062 -4.134 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.666 -13.936 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.864 -13.177 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.120 -12.830 -1.980 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.682 -14.483 -2.325 1.00 0.00 H new ATOM 117 N VAL A 11 -0.097 -11.522 -5.957 1.00 0.00 N ATOM 118 CA VAL A 11 -0.320 -10.768 -7.179 1.00 0.00 C ATOM 119 C VAL A 11 0.683 -9.615 -7.251 1.00 0.00 C ATOM 120 O VAL A 11 1.155 -9.132 -6.223 1.00 0.00 O ATOM 121 CB VAL A 11 -1.775 -10.299 -7.246 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.728 -11.488 -7.389 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.136 -9.451 -6.024 1.00 0.00 C ATOM 0 H VAL A 11 -0.304 -11.013 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.155 -11.398 -8.053 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.884 -9.673 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.756 -11.127 -7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.494 -12.034 -8.303 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.614 -12.151 -6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.175 -9.131 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.001 -10.042 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.489 -8.575 -5.985 1.00 0.00 H new ATOM 133 N ARG A 12 0.979 -9.207 -8.477 1.00 0.00 N ATOM 134 CA ARG A 12 1.918 -8.120 -8.697 1.00 0.00 C ATOM 135 C ARG A 12 1.206 -6.771 -8.578 1.00 0.00 C ATOM 136 O ARG A 12 0.258 -6.499 -9.314 1.00 0.00 O ATOM 137 CB ARG A 12 2.569 -8.226 -10.078 1.00 0.00 C ATOM 138 CG ARG A 12 1.616 -7.738 -11.172 1.00 0.00 C ATOM 139 CD ARG A 12 2.127 -8.131 -12.559 1.00 0.00 C ATOM 140 NE ARG A 12 1.016 -8.097 -13.536 1.00 0.00 N ATOM 141 CZ ARG A 12 0.577 -6.983 -14.136 1.00 0.00 C ATOM 142 NH1 ARG A 12 1.152 -5.804 -13.863 1.00 0.00 N ATOM 143 NH2 ARG A 12 -0.438 -7.046 -15.009 1.00 0.00 N ATOM 0 H ARG A 12 0.585 -9.610 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 12 2.694 -8.193 -7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.485 -7.636 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.852 -9.261 -10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.625 -8.163 -11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.512 -6.655 -11.112 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.918 -7.449 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.563 -9.130 -12.526 1.00 0.00 H new ATOM 0 HE ARG A 12 0.556 -8.977 -13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.924 -5.755 -13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.818 -4.956 -14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.877 -7.943 -15.217 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.772 -6.197 -15.465 1.00 0.00 H new ATOM 157 N VAL A 13 1.689 -5.963 -7.647 1.00 0.00 N ATOM 158 CA VAL A 13 1.110 -4.649 -7.422 1.00 0.00 C ATOM 159 C VAL A 13 2.170 -3.578 -7.686 1.00 0.00 C ATOM 160 O VAL A 13 3.356 -3.799 -7.443 1.00 0.00 O ATOM 161 CB VAL A 13 0.520 -4.571 -6.013 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.326 -3.117 -5.579 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.794 -5.349 -5.925 1.00 0.00 C ATOM 0 H VAL A 13 2.475 -6.192 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 13 0.287 -4.471 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 13 1.230 -5.033 -5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.095 -3.090 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.288 -2.605 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.354 -2.619 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.192 -5.277 -4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.513 -4.929 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.614 -6.396 -6.171 1.00 0.00 H new ATOM 173 N VAL A 14 1.705 -2.440 -8.181 1.00 0.00 N ATOM 174 CA VAL A 14 2.598 -1.334 -8.481 1.00 0.00 C ATOM 175 C VAL A 14 2.675 -0.403 -7.269 1.00 0.00 C ATOM 176 O VAL A 14 1.648 0.012 -6.734 1.00 0.00 O ATOM 177 CB VAL A 14 2.139 -0.620 -9.754 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.864 0.716 -9.926 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.334 -1.512 -10.982 1.00 0.00 C ATOM 0 H VAL A 14 0.721 -2.260 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 14 3.606 -1.700 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 14 1.074 -0.412 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.519 1.202 -10.838 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.653 1.358 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.938 0.541 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.000 -0.981 -11.874 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.389 -1.765 -11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.752 -2.426 -10.864 1.00 0.00 H new ATOM 189 N ILE A 15 3.902 -0.101 -6.871 1.00 0.00 N ATOM 190 CA ILE A 15 4.126 0.773 -5.732 1.00 0.00 C ATOM 191 C ILE A 15 4.786 2.068 -6.211 1.00 0.00 C ATOM 192 O ILE A 15 6.005 2.127 -6.367 1.00 0.00 O ATOM 193 CB ILE A 15 4.919 0.044 -4.645 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.210 -1.243 -4.220 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.194 0.967 -3.456 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.964 -0.934 -3.387 1.00 0.00 C ATOM 0 H ILE A 15 4.752 -0.446 -7.317 1.00 0.00 H new ATOM 0 HA ILE A 15 3.178 1.049 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 15 5.885 -0.243 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.928 -1.816 -5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.893 -1.865 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.759 0.425 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.771 1.829 -3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.249 1.305 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.479 -1.866 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.252 -0.382 -2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.272 -0.333 -3.977 1.00 0.00 H new ATOM 208 N ASN A 16 3.952 3.074 -6.430 1.00 0.00 N ATOM 209 CA ASN A 16 4.440 4.364 -6.887 1.00 0.00 C ATOM 210 C ASN A 16 4.887 5.192 -5.681 1.00 0.00 C ATOM 211 O ASN A 16 4.112 5.410 -4.751 1.00 0.00 O ATOM 212 CB ASN A 16 3.340 5.142 -7.613 1.00 0.00 C ATOM 213 CG ASN A 16 2.889 4.405 -8.876 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.643 4.212 -9.815 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.621 4.007 -8.846 1.00 0.00 N ATOM 0 H ASN A 16 2.942 3.022 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 16 5.270 4.188 -7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.489 5.283 -6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.706 6.134 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.224 3.507 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.045 4.202 -8.027 1.00 0.00 H new ATOM 222 N PHE A 17 6.136 5.631 -5.736 1.00 0.00 N ATOM 223 CA PHE A 17 6.697 6.430 -4.660 1.00 0.00 C ATOM 224 C PHE A 17 7.643 7.500 -5.207 1.00 0.00 C ATOM 225 O PHE A 17 8.209 7.340 -6.287 1.00 0.00 O ATOM 226 CB PHE A 17 7.487 5.478 -3.760 1.00 0.00 C ATOM 227 CG PHE A 17 8.845 5.066 -4.332 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.935 5.855 -4.132 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.963 3.911 -5.040 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.196 5.473 -4.663 1.00 0.00 C ATOM 231 CE2 PHE A 17 10.224 3.529 -5.571 1.00 0.00 C ATOM 232 CZ PHE A 17 11.313 4.318 -5.371 1.00 0.00 C ATOM 0 H PHE A 17 6.775 5.448 -6.509 1.00 0.00 H new ATOM 0 HA PHE A 17 5.898 6.934 -4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.641 5.954 -2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.891 4.582 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.842 6.772 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.098 3.284 -5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.061 6.100 -4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.318 2.612 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.272 4.027 -5.775 1.00 0.00 H new ATOM 242 N LYS A 18 7.786 8.568 -4.436 1.00 0.00 N ATOM 243 CA LYS A 18 8.655 9.665 -4.830 1.00 0.00 C ATOM 244 C LYS A 18 8.016 10.422 -5.996 1.00 0.00 C ATOM 245 O LYS A 18 8.633 11.316 -6.573 1.00 0.00 O ATOM 246 CB LYS A 18 10.065 9.150 -5.129 1.00 0.00 C ATOM 247 CG LYS A 18 11.016 9.450 -3.969 1.00 0.00 C ATOM 248 CD LYS A 18 12.465 9.527 -4.454 1.00 0.00 C ATOM 249 CE LYS A 18 13.417 8.897 -3.436 1.00 0.00 C ATOM 250 NZ LYS A 18 14.296 9.929 -2.841 1.00 0.00 N ATOM 0 H LYS A 18 7.315 8.697 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 18 8.767 10.376 -4.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.033 8.075 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.440 9.615 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.736 10.392 -3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.924 8.674 -3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.560 9.015 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.742 10.568 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.844 8.402 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.022 8.131 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.936 9.485 -2.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.856 10.383 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.715 10.646 -2.361 1.00 0.00 H new ATOM 264 N LYS A 19 6.788 10.036 -6.308 1.00 0.00 N ATOM 265 CA LYS A 19 6.059 10.668 -7.395 1.00 0.00 C ATOM 266 C LYS A 19 6.910 10.627 -8.666 1.00 0.00 C ATOM 267 O LYS A 19 6.799 11.506 -9.519 1.00 0.00 O ATOM 268 CB LYS A 19 5.616 12.077 -6.996 1.00 0.00 C ATOM 269 CG LYS A 19 4.586 12.028 -5.865 1.00 0.00 C ATOM 270 CD LYS A 19 3.972 13.408 -5.624 1.00 0.00 C ATOM 271 CE LYS A 19 4.680 14.131 -4.476 1.00 0.00 C ATOM 272 NZ LYS A 19 5.336 15.364 -4.965 1.00 0.00 N ATOM 0 H LYS A 19 6.279 9.294 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 19 5.141 10.119 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.482 12.658 -6.679 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.189 12.586 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.800 11.315 -6.114 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.061 11.672 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.043 14.005 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.912 13.303 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.960 14.380 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.422 13.471 -4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.811 15.842 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.037 15.119 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.621 15.999 -5.373 1.00 0.00 H new ATOM 286 N THR A 20 7.740 9.599 -8.751 1.00 0.00 N ATOM 287 CA THR A 20 8.610 9.433 -9.903 1.00 0.00 C ATOM 288 C THR A 20 9.018 7.966 -10.056 1.00 0.00 C ATOM 289 O THR A 20 8.837 7.375 -11.119 1.00 0.00 O ATOM 290 CB THR A 20 9.799 10.381 -9.738 1.00 0.00 C ATOM 291 OG1 THR A 20 10.307 10.079 -8.441 1.00 0.00 O ATOM 292 CG2 THR A 20 9.371 11.846 -9.639 1.00 0.00 C ATOM 0 H THR A 20 7.829 8.872 -8.041 1.00 0.00 H new ATOM 0 HA THR A 20 8.096 9.693 -10.828 1.00 0.00 H new ATOM 0 HB THR A 20 10.480 10.258 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.810 10.590 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.253 12.476 -9.523 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.838 12.131 -10.546 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.716 11.976 -8.777 1.00 0.00 H new ATOM 300 N GLN A 21 9.563 7.421 -8.978 1.00 0.00 N ATOM 301 CA GLN A 21 9.999 6.035 -8.978 1.00 0.00 C ATOM 302 C GLN A 21 8.847 5.116 -8.565 1.00 0.00 C ATOM 303 O GLN A 21 7.901 5.556 -7.912 1.00 0.00 O ATOM 304 CB GLN A 21 11.210 5.841 -8.064 1.00 0.00 C ATOM 305 CG GLN A 21 12.467 6.458 -8.681 1.00 0.00 C ATOM 306 CD GLN A 21 13.710 6.100 -7.864 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.773 5.083 -7.193 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.694 6.990 -7.958 1.00 0.00 N ATOM 0 H GLN A 21 9.713 7.915 -8.098 1.00 0.00 H new ATOM 0 HA GLN A 21 10.304 5.770 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.015 6.298 -7.094 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.371 4.777 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.586 6.103 -9.705 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.359 7.542 -8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.576 7.821 -8.538 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.566 6.841 -7.450 1.00 0.00 H new ATOM 317 N LYS A 22 8.964 3.858 -8.963 1.00 0.00 N ATOM 318 CA LYS A 22 7.945 2.874 -8.642 1.00 0.00 C ATOM 319 C LYS A 22 8.585 1.486 -8.577 1.00 0.00 C ATOM 320 O LYS A 22 9.578 1.224 -9.253 1.00 0.00 O ATOM 321 CB LYS A 22 6.780 2.968 -9.630 1.00 0.00 C ATOM 322 CG LYS A 22 7.277 2.891 -11.074 1.00 0.00 C ATOM 323 CD LYS A 22 6.360 2.008 -11.924 1.00 0.00 C ATOM 324 CE LYS A 22 6.444 2.393 -13.402 1.00 0.00 C ATOM 325 NZ LYS A 22 5.767 1.380 -14.241 1.00 0.00 N ATOM 0 H LYS A 22 9.749 3.498 -9.505 1.00 0.00 H new ATOM 0 HA LYS A 22 7.517 3.075 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.073 2.160 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.243 3.904 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.321 3.893 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.291 2.492 -11.092 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.640 0.962 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.331 2.106 -11.577 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.983 3.369 -13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.488 2.483 -13.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.834 1.657 -15.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.225 0.456 -14.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.766 1.314 -13.966 1.00 0.00 H new ATOM 339 N THR A 23 7.989 0.632 -7.757 1.00 0.00 N ATOM 340 CA THR A 23 8.488 -0.723 -7.595 1.00 0.00 C ATOM 341 C THR A 23 7.328 -1.719 -7.564 1.00 0.00 C ATOM 342 O THR A 23 6.215 -1.369 -7.173 1.00 0.00 O ATOM 343 CB THR A 23 9.354 -0.760 -6.334 1.00 0.00 C ATOM 344 OG1 THR A 23 9.944 -2.056 -6.356 1.00 0.00 O ATOM 345 CG2 THR A 23 8.521 -0.751 -5.051 1.00 0.00 C ATOM 0 H THR A 23 7.165 0.853 -7.198 1.00 0.00 H new ATOM 0 HA THR A 23 9.107 -1.020 -8.442 1.00 0.00 H new ATOM 0 HB THR A 23 10.030 0.095 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.524 -2.165 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.184 -0.778 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.916 0.155 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.868 -1.624 -5.035 1.00 0.00 H new ATOM 353 N ILE A 24 7.627 -2.940 -7.982 1.00 0.00 N ATOM 354 CA ILE A 24 6.622 -3.989 -8.007 1.00 0.00 C ATOM 355 C ILE A 24 6.886 -4.970 -6.862 1.00 0.00 C ATOM 356 O ILE A 24 8.028 -5.146 -6.442 1.00 0.00 O ATOM 357 CB ILE A 24 6.574 -4.652 -9.385 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.193 -3.640 -10.468 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.639 -5.863 -9.379 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.714 -3.262 -10.369 1.00 0.00 C ATOM 0 H ILE A 24 8.551 -3.226 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 24 5.629 -3.569 -7.846 1.00 0.00 H new ATOM 0 HB ILE A 24 7.573 -5.017 -9.622 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.808 -2.746 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.400 -4.060 -11.452 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.623 -6.315 -10.371 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.994 -6.594 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.632 -5.544 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.469 -2.542 -11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.101 -4.155 -10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.516 -2.820 -9.393 1.00 0.00 H new ATOM 372 N VAL A 25 5.809 -5.582 -6.390 1.00 0.00 N ATOM 373 CA VAL A 25 5.910 -6.539 -5.302 1.00 0.00 C ATOM 374 C VAL A 25 4.791 -7.574 -5.434 1.00 0.00 C ATOM 375 O VAL A 25 3.741 -7.288 -6.007 1.00 0.00 O ATOM 376 CB VAL A 25 5.893 -5.808 -3.958 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.036 -4.795 -3.871 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.542 -5.133 -3.719 1.00 0.00 C ATOM 0 H VAL A 25 4.863 -5.433 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 25 6.857 -7.076 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 25 6.041 -6.548 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.001 -4.289 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.990 -5.313 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.933 -4.060 -4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.556 -4.621 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.351 -4.410 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.754 -5.886 -3.717 1.00 0.00 H new ATOM 388 N ARG A 26 5.053 -8.755 -4.894 1.00 0.00 N ATOM 389 CA ARG A 26 4.081 -9.834 -4.944 1.00 0.00 C ATOM 390 C ARG A 26 3.519 -10.107 -3.548 1.00 0.00 C ATOM 391 O ARG A 26 4.214 -10.649 -2.690 1.00 0.00 O ATOM 392 CB ARG A 26 4.710 -11.116 -5.493 1.00 0.00 C ATOM 393 CG ARG A 26 4.055 -11.526 -6.814 1.00 0.00 C ATOM 394 CD ARG A 26 5.075 -12.173 -7.754 1.00 0.00 C ATOM 395 NE ARG A 26 4.399 -13.145 -8.642 1.00 0.00 N ATOM 396 CZ ARG A 26 3.597 -12.802 -9.659 1.00 0.00 C ATOM 397 NH1 ARG A 26 3.365 -11.509 -9.923 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.026 -13.752 -10.412 1.00 0.00 N ATOM 0 H ARG A 26 5.925 -8.989 -4.419 1.00 0.00 H new ATOM 0 HA ARG A 26 3.275 -9.524 -5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.779 -10.965 -5.644 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.602 -11.919 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.241 -12.224 -6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.617 -10.651 -7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.570 -11.406 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.849 -12.675 -7.174 1.00 0.00 H new ATOM 0 HE ARG A 26 4.553 -14.138 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.799 -10.786 -9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.754 -11.248 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.202 -14.736 -10.211 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.415 -13.491 -11.186 1.00 0.00 H new ATOM 412 N VAL A 27 2.265 -9.719 -3.364 1.00 0.00 N ATOM 413 CA VAL A 27 1.601 -9.915 -2.086 1.00 0.00 C ATOM 414 C VAL A 27 0.241 -10.576 -2.319 1.00 0.00 C ATOM 415 O VAL A 27 -0.150 -10.814 -3.461 1.00 0.00 O ATOM 416 CB VAL A 27 1.498 -8.583 -1.340 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.779 -8.294 -0.555 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.176 -7.439 -2.303 1.00 0.00 C ATOM 0 H VAL A 27 1.692 -9.270 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 27 2.183 -10.583 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 27 0.678 -8.661 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.679 -7.342 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.948 -9.089 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.624 -8.245 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.108 -6.504 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.965 -7.360 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.225 -7.637 -2.798 1.00 0.00 H new ATOM 428 N SER A 28 -0.441 -10.855 -1.219 1.00 0.00 N ATOM 429 CA SER A 28 -1.749 -11.485 -1.289 1.00 0.00 C ATOM 430 C SER A 28 -2.836 -10.418 -1.437 1.00 0.00 C ATOM 431 O SER A 28 -2.873 -9.454 -0.674 1.00 0.00 O ATOM 432 CB SER A 28 -2.014 -12.344 -0.051 1.00 0.00 C ATOM 433 OG SER A 28 -2.401 -13.671 -0.395 1.00 0.00 O ATOM 0 H SER A 28 -0.113 -10.657 -0.274 1.00 0.00 H new ATOM 0 HA SER A 28 -1.768 -12.138 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.116 -12.377 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.797 -11.882 0.550 1.00 0.00 H new ATOM 0 HG SER A 28 -2.559 -14.188 0.422 1.00 0.00 H new ATOM 439 N PRO A 29 -3.717 -10.632 -2.451 1.00 0.00 N ATOM 440 CA PRO A 29 -4.802 -9.700 -2.708 1.00 0.00 C ATOM 441 C PRO A 29 -5.912 -9.849 -1.666 1.00 0.00 C ATOM 442 O PRO A 29 -6.892 -9.106 -1.687 1.00 0.00 O ATOM 443 CB PRO A 29 -5.267 -10.019 -4.120 1.00 0.00 C ATOM 444 CG PRO A 29 -4.744 -11.413 -4.427 1.00 0.00 C ATOM 445 CD PRO A 29 -3.704 -11.762 -3.374 1.00 0.00 C ATOM 0 HA PRO A 29 -4.489 -8.659 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.354 -9.986 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.879 -9.291 -4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.558 -12.138 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.304 -11.445 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.954 -12.693 -2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.719 -11.897 -3.820 1.00 0.00 H new ATOM 453 N HIS A 30 -5.721 -10.813 -0.778 1.00 0.00 N ATOM 454 CA HIS A 30 -6.693 -11.068 0.271 1.00 0.00 C ATOM 455 C HIS A 30 -6.416 -10.150 1.463 1.00 0.00 C ATOM 456 O HIS A 30 -7.253 -9.322 1.821 1.00 0.00 O ATOM 457 CB HIS A 30 -6.703 -12.550 0.654 1.00 0.00 C ATOM 458 CG HIS A 30 -7.345 -13.446 -0.377 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.691 -13.380 -0.694 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.813 -14.429 -1.160 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.946 -14.287 -1.626 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.781 -14.936 -1.913 1.00 0.00 N ATOM 0 H HIS A 30 -4.907 -11.427 -0.763 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.694 -10.839 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.677 -12.879 0.818 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.230 -12.667 1.601 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.779 -14.741 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.908 -14.479 -2.079 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.672 -15.687 -2.594 1.00 0.00 H new ATOM 470 N ALA A 31 -5.239 -10.326 2.044 1.00 0.00 N ATOM 471 CA ALA A 31 -4.841 -9.524 3.188 1.00 0.00 C ATOM 472 C ALA A 31 -5.187 -8.057 2.921 1.00 0.00 C ATOM 473 O ALA A 31 -5.282 -7.637 1.769 1.00 0.00 O ATOM 474 CB ALA A 31 -3.350 -9.730 3.462 1.00 0.00 C ATOM 0 H ALA A 31 -4.547 -11.013 1.744 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.383 -9.834 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.051 -9.128 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.161 -10.782 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.774 -9.426 2.588 1.00 0.00 H new ATOM 480 N SER A 32 -5.367 -7.319 4.007 1.00 0.00 N ATOM 481 CA SER A 32 -5.701 -5.908 3.905 1.00 0.00 C ATOM 482 C SER A 32 -4.425 -5.078 3.748 1.00 0.00 C ATOM 483 O SER A 32 -3.337 -5.533 4.099 1.00 0.00 O ATOM 484 CB SER A 32 -6.492 -5.440 5.128 1.00 0.00 C ATOM 485 OG SER A 32 -7.794 -6.017 5.175 1.00 0.00 O ATOM 0 H SER A 32 -5.288 -7.671 4.961 1.00 0.00 H new ATOM 0 HA SER A 32 -6.328 -5.768 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.946 -5.702 6.035 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.577 -4.353 5.110 1.00 0.00 H new ATOM 0 HG SER A 32 -8.467 -5.317 5.041 1.00 0.00 H new ATOM 491 N LEU A 33 -4.601 -3.876 3.221 1.00 0.00 N ATOM 492 CA LEU A 33 -3.477 -2.978 3.013 1.00 0.00 C ATOM 493 C LEU A 33 -2.748 -2.765 4.342 1.00 0.00 C ATOM 494 O LEU A 33 -1.521 -2.688 4.375 1.00 0.00 O ATOM 495 CB LEU A 33 -3.944 -1.679 2.352 1.00 0.00 C ATOM 496 CG LEU A 33 -4.225 -1.755 0.850 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.012 -0.531 0.378 1.00 0.00 C ATOM 498 CD2 LEU A 33 -2.929 -1.943 0.059 1.00 0.00 C ATOM 0 H LEU A 33 -5.505 -3.502 2.932 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.759 -3.419 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.851 -1.344 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.185 -0.915 2.522 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.847 -2.630 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.199 -0.609 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.962 -0.482 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.436 0.372 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.157 -1.994 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.262 -1.102 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.443 -2.868 0.371 1.00 0.00 H new ATOM 510 N GLN A 34 -3.535 -2.675 5.404 1.00 0.00 N ATOM 511 CA GLN A 34 -2.980 -2.472 6.731 1.00 0.00 C ATOM 512 C GLN A 34 -1.855 -3.476 6.995 1.00 0.00 C ATOM 513 O GLN A 34 -0.863 -3.145 7.643 1.00 0.00 O ATOM 514 CB GLN A 34 -4.068 -2.574 7.802 1.00 0.00 C ATOM 515 CG GLN A 34 -5.098 -3.645 7.437 1.00 0.00 C ATOM 516 CD GLN A 34 -5.656 -4.320 8.691 1.00 0.00 C ATOM 517 OE1 GLN A 34 -6.852 -4.358 8.928 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.725 -4.849 9.480 1.00 0.00 N ATOM 0 H GLN A 34 -4.552 -2.739 5.372 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.562 -1.466 6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.615 -2.813 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.564 -1.610 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.912 -3.193 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.637 -4.393 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.740 -4.782 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.996 -5.322 10.342 1.00 0.00 H new ATOM 527 N GLU A 35 -2.048 -4.681 6.480 1.00 0.00 N ATOM 528 CA GLU A 35 -1.062 -5.735 6.652 1.00 0.00 C ATOM 529 C GLU A 35 -0.016 -5.670 5.538 1.00 0.00 C ATOM 530 O GLU A 35 1.104 -6.149 5.704 1.00 0.00 O ATOM 531 CB GLU A 35 -1.731 -7.110 6.697 1.00 0.00 C ATOM 532 CG GLU A 35 -2.305 -7.395 8.087 1.00 0.00 C ATOM 533 CD GLU A 35 -1.715 -8.681 8.670 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.479 -8.837 8.565 1.00 0.00 O ATOM 535 OE2 GLU A 35 -2.514 -9.479 9.206 1.00 0.00 O ATOM 0 H GLU A 35 -2.872 -4.951 5.943 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.558 -5.582 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.528 -7.155 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.006 -7.880 6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.091 -6.558 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.390 -7.483 8.026 1.00 0.00 H new ATOM 542 N LEU A 36 -0.419 -5.074 4.425 1.00 0.00 N ATOM 543 CA LEU A 36 0.469 -4.940 3.283 1.00 0.00 C ATOM 544 C LEU A 36 1.138 -3.565 3.321 1.00 0.00 C ATOM 545 O LEU A 36 1.782 -3.157 2.356 1.00 0.00 O ATOM 546 CB LEU A 36 -0.285 -5.222 1.982 1.00 0.00 C ATOM 547 CG LEU A 36 -0.891 -6.620 1.847 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.837 -6.694 0.647 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.203 -7.687 1.780 1.00 0.00 C ATOM 0 H LEU A 36 -1.349 -4.678 4.290 1.00 0.00 H new ATOM 0 HA LEU A 36 1.265 -5.683 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.086 -4.489 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.398 -5.062 1.148 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.485 -6.822 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.254 -7.698 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.645 -5.974 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.287 -6.462 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.255 -8.672 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.843 -7.499 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.802 -7.652 2.690 1.00 0.00 H new ATOM 561 N ALA A 37 0.963 -2.888 4.446 1.00 0.00 N ATOM 562 CA ALA A 37 1.541 -1.567 4.623 1.00 0.00 C ATOM 563 C ALA A 37 3.056 -1.697 4.795 1.00 0.00 C ATOM 564 O ALA A 37 3.823 -1.009 4.122 1.00 0.00 O ATOM 565 CB ALA A 37 0.877 -0.872 5.813 1.00 0.00 C ATOM 0 H ALA A 37 0.429 -3.230 5.245 1.00 0.00 H new ATOM 0 HA ALA A 37 1.360 -0.949 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.312 0.119 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.193 -0.777 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.039 -1.462 6.715 1.00 0.00 H new ATOM 571 N PRO A 38 3.453 -2.608 5.724 1.00 0.00 N ATOM 572 CA PRO A 38 4.862 -2.837 5.993 1.00 0.00 C ATOM 573 C PRO A 38 5.510 -3.649 4.870 1.00 0.00 C ATOM 574 O PRO A 38 6.614 -3.335 4.429 1.00 0.00 O ATOM 575 CB PRO A 38 4.895 -3.549 7.336 1.00 0.00 C ATOM 576 CG PRO A 38 3.496 -4.105 7.548 1.00 0.00 C ATOM 577 CD PRO A 38 2.573 -3.440 6.539 1.00 0.00 C ATOM 0 HA PRO A 38 5.438 -1.913 6.032 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.637 -4.348 7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.167 -2.861 8.136 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.491 -5.187 7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.156 -3.907 8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.052 -4.180 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.809 -2.841 7.035 1.00 0.00 H new ATOM 585 N ILE A 39 4.795 -4.678 4.439 1.00 0.00 N ATOM 586 CA ILE A 39 5.286 -5.538 3.375 1.00 0.00 C ATOM 587 C ILE A 39 5.589 -4.690 2.139 1.00 0.00 C ATOM 588 O ILE A 39 6.431 -5.056 1.321 1.00 0.00 O ATOM 589 CB ILE A 39 4.303 -6.680 3.112 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.328 -7.699 4.253 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.571 -7.333 1.754 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.919 -7.951 4.795 1.00 0.00 C ATOM 0 H ILE A 39 3.879 -4.936 4.807 1.00 0.00 H new ATOM 0 HA ILE A 39 6.220 -6.015 3.671 1.00 0.00 H new ATOM 0 HB ILE A 39 3.297 -6.263 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.758 -8.636 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.971 -7.336 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.858 -8.142 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.461 -6.589 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.584 -7.734 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.966 -8.679 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.501 -7.017 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.286 -8.337 3.996 1.00 0.00 H new ATOM 604 N ILE A 40 4.885 -3.571 2.041 1.00 0.00 N ATOM 605 CA ILE A 40 5.067 -2.668 0.917 1.00 0.00 C ATOM 606 C ILE A 40 6.139 -1.634 1.269 1.00 0.00 C ATOM 607 O ILE A 40 7.161 -1.539 0.592 1.00 0.00 O ATOM 608 CB ILE A 40 3.730 -2.051 0.503 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.869 -3.066 -0.253 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.944 -0.769 -0.303 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.438 -2.551 -0.423 1.00 0.00 C ATOM 0 H ILE A 40 4.188 -3.270 2.722 1.00 0.00 H new ATOM 0 HA ILE A 40 5.423 -3.214 0.043 1.00 0.00 H new ATOM 0 HB ILE A 40 3.186 -1.776 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.307 -3.263 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.857 -4.013 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.978 -0.351 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.490 -0.045 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.517 -0.996 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.847 -3.291 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.995 -2.378 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.452 -1.617 -0.985 1.00 0.00 H new ATOM 623 N CYS A 41 5.867 -0.885 2.327 1.00 0.00 N ATOM 624 CA CYS A 41 6.795 0.139 2.777 1.00 0.00 C ATOM 625 C CYS A 41 8.184 -0.492 2.901 1.00 0.00 C ATOM 626 O CYS A 41 9.169 0.069 2.424 1.00 0.00 O ATOM 627 CB CYS A 41 6.340 0.778 4.091 1.00 0.00 C ATOM 628 SG CYS A 41 5.538 2.389 3.758 1.00 0.00 S ATOM 0 H CYS A 41 5.018 -0.966 2.886 1.00 0.00 H new ATOM 0 HA CYS A 41 6.828 0.948 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.644 0.115 4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.195 0.918 4.752 1.00 0.00 H new ATOM 0 HG CYS A 41 4.672 2.252 2.798 1.00 0.00 H new ATOM 634 N SER A 42 8.217 -1.650 3.543 1.00 0.00 N ATOM 635 CA SER A 42 9.468 -2.364 3.736 1.00 0.00 C ATOM 636 C SER A 42 10.137 -2.620 2.384 1.00 0.00 C ATOM 637 O SER A 42 11.353 -2.483 2.253 1.00 0.00 O ATOM 638 CB SER A 42 9.241 -3.684 4.475 1.00 0.00 C ATOM 639 OG SER A 42 10.466 -4.357 4.752 1.00 0.00 O ATOM 0 H SER A 42 7.397 -2.112 3.936 1.00 0.00 H new ATOM 0 HA SER A 42 10.124 -1.745 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.714 -3.491 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.600 -4.330 3.875 1.00 0.00 H new ATOM 0 HG SER A 42 10.279 -5.194 5.226 1.00 0.00 H new ATOM 645 N LYS A 43 9.315 -2.989 1.413 1.00 0.00 N ATOM 646 CA LYS A 43 9.811 -3.266 0.076 1.00 0.00 C ATOM 647 C LYS A 43 10.476 -2.009 -0.487 1.00 0.00 C ATOM 648 O LYS A 43 11.492 -2.095 -1.175 1.00 0.00 O ATOM 649 CB LYS A 43 8.691 -3.818 -0.808 1.00 0.00 C ATOM 650 CG LYS A 43 8.484 -5.314 -0.560 1.00 0.00 C ATOM 651 CD LYS A 43 9.217 -6.151 -1.610 1.00 0.00 C ATOM 652 CE LYS A 43 8.765 -7.612 -1.561 1.00 0.00 C ATOM 653 NZ LYS A 43 9.821 -8.499 -2.097 1.00 0.00 N ATOM 0 H LYS A 43 8.308 -3.103 1.526 1.00 0.00 H new ATOM 0 HA LYS A 43 10.574 -4.044 0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.765 -3.281 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.934 -3.650 -1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.845 -5.575 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.419 -5.546 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.029 -5.742 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.292 -6.093 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.533 -7.893 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.850 -7.735 -2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.498 -9.487 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.023 -8.241 -3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.685 -8.394 -1.528 1.00 0.00 H new ATOM 667 N CYS A 44 9.876 -0.870 -0.174 1.00 0.00 N ATOM 668 CA CYS A 44 10.397 0.404 -0.641 1.00 0.00 C ATOM 669 C CYS A 44 11.201 1.039 0.496 1.00 0.00 C ATOM 670 O CYS A 44 11.508 2.229 0.454 1.00 0.00 O ATOM 671 CB CYS A 44 9.280 1.326 -1.134 1.00 0.00 C ATOM 672 SG CYS A 44 9.373 1.503 -2.953 1.00 0.00 S ATOM 0 H CYS A 44 9.034 -0.803 0.397 1.00 0.00 H new ATOM 0 HA CYS A 44 11.049 0.241 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.309 0.920 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.368 2.304 -0.660 1.00 0.00 H new ATOM 0 HG CYS A 44 9.304 2.762 -3.271 1.00 0.00 H new ATOM 678 N GLU A 45 11.520 0.216 1.484 1.00 0.00 N ATOM 679 CA GLU A 45 12.282 0.683 2.630 1.00 0.00 C ATOM 680 C GLU A 45 11.734 2.023 3.122 1.00 0.00 C ATOM 681 O GLU A 45 12.499 2.935 3.433 1.00 0.00 O ATOM 682 CB GLU A 45 13.771 0.790 2.291 1.00 0.00 C ATOM 683 CG GLU A 45 14.472 -0.558 2.466 1.00 0.00 C ATOM 684 CD GLU A 45 15.890 -0.517 1.894 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.805 -0.163 2.668 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.027 -0.842 0.694 1.00 0.00 O ATOM 0 H GLU A 45 11.265 -0.771 1.515 1.00 0.00 H new ATOM 0 HA GLU A 45 12.177 -0.046 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.890 1.135 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.241 1.534 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.510 -0.817 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.897 -1.338 1.967 1.00 0.00 H new ATOM 693 N PHE A 46 10.412 2.101 3.178 1.00 0.00 N ATOM 694 CA PHE A 46 9.753 3.315 3.627 1.00 0.00 C ATOM 695 C PHE A 46 9.392 3.226 5.111 1.00 0.00 C ATOM 696 O PHE A 46 9.627 2.202 5.750 1.00 0.00 O ATOM 697 CB PHE A 46 8.467 3.455 2.809 1.00 0.00 C ATOM 698 CG PHE A 46 8.598 4.377 1.596 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.810 4.555 1.005 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.503 5.019 1.108 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.932 5.411 -0.122 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.625 5.876 -0.018 1.00 0.00 C ATOM 703 CZ PHE A 46 8.837 6.054 -0.609 1.00 0.00 C ATOM 0 H PHE A 46 9.780 1.343 2.920 1.00 0.00 H new ATOM 0 HA PHE A 46 10.416 4.170 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.155 2.467 2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.676 3.834 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.680 4.045 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.540 4.877 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.894 5.551 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.755 6.386 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.930 6.706 -1.465 1.00 0.00 H new ATOM 713 N ASP A 47 8.826 4.313 5.616 1.00 0.00 N ATOM 714 CA ASP A 47 8.431 4.370 7.013 1.00 0.00 C ATOM 715 C ASP A 47 6.913 4.211 7.116 1.00 0.00 C ATOM 716 O ASP A 47 6.165 5.129 6.784 1.00 0.00 O ATOM 717 CB ASP A 47 8.808 5.715 7.638 1.00 0.00 C ATOM 718 CG ASP A 47 10.173 5.746 8.329 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.153 5.340 7.668 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.206 6.176 9.502 1.00 0.00 O ATOM 0 H ASP A 47 8.632 5.161 5.083 1.00 0.00 H new ATOM 0 HA ASP A 47 8.947 3.569 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.794 6.477 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.043 5.988 8.365 1.00 0.00 H new ATOM 725 N PRO A 48 6.492 3.007 7.589 1.00 0.00 N ATOM 726 CA PRO A 48 5.076 2.716 7.740 1.00 0.00 C ATOM 727 C PRO A 48 4.494 3.438 8.957 1.00 0.00 C ATOM 728 O PRO A 48 3.301 3.331 9.234 1.00 0.00 O ATOM 729 CB PRO A 48 4.996 1.202 7.852 1.00 0.00 C ATOM 730 CG PRO A 48 6.394 0.737 8.226 1.00 0.00 C ATOM 731 CD PRO A 48 7.349 1.896 7.992 1.00 0.00 C ATOM 0 HA PRO A 48 4.481 3.072 6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.270 0.904 8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.675 0.757 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.425 0.421 9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.684 -0.124 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.909 2.136 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.079 1.658 7.218 1.00 0.00 H new ATOM 739 N LEU A 49 5.365 4.156 9.651 1.00 0.00 N ATOM 740 CA LEU A 49 4.952 4.895 10.832 1.00 0.00 C ATOM 741 C LEU A 49 3.993 6.013 10.420 1.00 0.00 C ATOM 742 O LEU A 49 2.927 6.172 11.013 1.00 0.00 O ATOM 743 CB LEU A 49 6.174 5.388 11.610 1.00 0.00 C ATOM 744 CG LEU A 49 6.691 4.457 12.708 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.220 4.391 12.696 1.00 0.00 C ATOM 746 CD2 LEU A 49 6.146 4.868 14.077 1.00 0.00 C ATOM 0 H LEU A 49 6.354 4.242 9.418 1.00 0.00 H new ATOM 0 HA LEU A 49 4.408 4.245 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.983 5.566 10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.929 6.349 12.062 1.00 0.00 H new ATOM 0 HG LEU A 49 6.324 3.451 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.562 3.722 13.486 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.560 4.016 11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.629 5.388 12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.529 4.190 14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.463 5.886 14.304 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.057 4.822 14.064 1.00 0.00 H new ATOM 758 N HIS A 50 4.406 6.759 9.405 1.00 0.00 N ATOM 759 CA HIS A 50 3.596 7.858 8.907 1.00 0.00 C ATOM 760 C HIS A 50 3.450 7.740 7.388 1.00 0.00 C ATOM 761 O HIS A 50 3.855 8.636 6.650 1.00 0.00 O ATOM 762 CB HIS A 50 4.179 9.204 9.343 1.00 0.00 C ATOM 763 CG HIS A 50 5.133 9.110 10.510 1.00 0.00 C ATOM 764 ND1 HIS A 50 4.880 9.703 11.735 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.341 8.488 10.626 1.00 0.00 C ATOM 766 CE1 HIS A 50 5.897 9.443 12.543 1.00 0.00 C ATOM 767 NE2 HIS A 50 6.801 8.690 11.854 1.00 0.00 N ATOM 0 H HIS A 50 5.290 6.624 8.915 1.00 0.00 H new ATOM 0 HA HIS A 50 2.597 7.803 9.339 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.699 9.655 8.497 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.361 9.874 9.608 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.839 7.926 9.850 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.993 9.770 13.568 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.685 8.340 12.222 1.00 0.00 H new ATOM 775 N THR A 51 2.869 6.626 6.967 1.00 0.00 N ATOM 776 CA THR A 51 2.664 6.378 5.550 1.00 0.00 C ATOM 777 C THR A 51 1.176 6.188 5.252 1.00 0.00 C ATOM 778 O THR A 51 0.468 5.523 6.006 1.00 0.00 O ATOM 779 CB THR A 51 3.522 5.176 5.151 1.00 0.00 C ATOM 780 OG1 THR A 51 4.809 5.736 4.901 1.00 0.00 O ATOM 781 CG2 THR A 51 3.107 4.581 3.804 1.00 0.00 C ATOM 0 H THR A 51 2.534 5.885 7.583 1.00 0.00 H new ATOM 0 HA THR A 51 2.977 7.232 4.950 1.00 0.00 H new ATOM 0 HB THR A 51 3.453 4.409 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.322 5.762 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.748 3.731 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.070 4.250 3.857 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.207 5.337 3.026 1.00 0.00 H new ATOM 789 N LEU A 52 0.745 6.785 4.150 1.00 0.00 N ATOM 790 CA LEU A 52 -0.646 6.689 3.743 1.00 0.00 C ATOM 791 C LEU A 52 -0.740 5.875 2.450 1.00 0.00 C ATOM 792 O LEU A 52 0.276 5.579 1.824 1.00 0.00 O ATOM 793 CB LEU A 52 -1.271 8.082 3.639 1.00 0.00 C ATOM 794 CG LEU A 52 -2.205 8.485 4.781 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.693 9.925 4.609 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.367 7.498 4.913 1.00 0.00 C ATOM 0 H LEU A 52 1.335 7.337 3.527 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.228 6.159 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.467 8.815 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.827 8.140 2.703 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.641 8.446 5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.355 10.186 5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.838 10.601 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.234 10.016 3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.016 7.808 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.938 7.481 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.976 6.501 5.117 1.00 0.00 H new ATOM 808 N LEU A 53 -1.970 5.537 2.090 1.00 0.00 N ATOM 809 CA LEU A 53 -2.210 4.764 0.884 1.00 0.00 C ATOM 810 C LEU A 53 -3.281 5.459 0.041 1.00 0.00 C ATOM 811 O LEU A 53 -4.475 5.288 0.284 1.00 0.00 O ATOM 812 CB LEU A 53 -2.550 3.314 1.236 1.00 0.00 C ATOM 813 CG LEU A 53 -1.489 2.551 2.032 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.003 1.171 2.446 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.175 2.464 1.254 1.00 0.00 C ATOM 0 H LEU A 53 -2.810 5.784 2.613 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.306 4.717 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.479 3.308 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.741 2.771 0.310 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.283 3.107 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.230 0.649 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.891 1.285 3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.254 0.594 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.561 1.917 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.344 1.944 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.196 3.469 1.053 1.00 0.00 H new ATOM 827 N LEU A 54 -2.816 6.230 -0.931 1.00 0.00 N ATOM 828 CA LEU A 54 -3.719 6.952 -1.811 1.00 0.00 C ATOM 829 C LEU A 54 -4.035 6.086 -3.032 1.00 0.00 C ATOM 830 O LEU A 54 -3.312 5.136 -3.328 1.00 0.00 O ATOM 831 CB LEU A 54 -3.141 8.324 -2.162 1.00 0.00 C ATOM 832 CG LEU A 54 -2.859 9.256 -0.982 1.00 0.00 C ATOM 833 CD1 LEU A 54 -4.137 9.540 -0.190 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.748 8.693 -0.093 1.00 0.00 C ATOM 0 H LEU A 54 -1.825 6.370 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.665 7.150 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.211 8.175 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.834 8.826 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.506 10.209 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.909 10.205 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.871 10.014 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.543 8.604 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.567 9.374 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.050 7.720 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.835 8.583 -0.678 1.00 0.00 H new ATOM 846 N LYS A 55 -5.116 6.446 -3.709 1.00 0.00 N ATOM 847 CA LYS A 55 -5.537 5.714 -4.891 1.00 0.00 C ATOM 848 C LYS A 55 -4.356 5.593 -5.857 1.00 0.00 C ATOM 849 O LYS A 55 -3.768 4.521 -5.993 1.00 0.00 O ATOM 850 CB LYS A 55 -6.775 6.364 -5.512 1.00 0.00 C ATOM 851 CG LYS A 55 -7.896 6.504 -4.480 1.00 0.00 C ATOM 852 CD LYS A 55 -8.960 5.423 -4.677 1.00 0.00 C ATOM 853 CE LYS A 55 -9.839 5.733 -5.891 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.266 5.515 -5.567 1.00 0.00 N ATOM 0 H LYS A 55 -5.713 7.235 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.838 4.701 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.515 7.346 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.123 5.764 -6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.481 6.432 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.353 7.490 -4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.479 4.454 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.580 5.351 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.685 6.765 -6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.549 5.099 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.848 5.730 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.411 4.523 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.543 6.138 -4.782 1.00 0.00 H new ATOM 868 N ASP A 56 -4.045 6.706 -6.504 1.00 0.00 N ATOM 869 CA ASP A 56 -2.945 6.738 -7.453 1.00 0.00 C ATOM 870 C ASP A 56 -2.093 7.983 -7.198 1.00 0.00 C ATOM 871 O ASP A 56 -2.496 8.873 -6.450 1.00 0.00 O ATOM 872 CB ASP A 56 -3.462 6.806 -8.892 1.00 0.00 C ATOM 873 CG ASP A 56 -4.329 5.621 -9.323 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.553 5.695 -9.078 1.00 0.00 O ATOM 875 OD2 ASP A 56 -3.749 4.670 -9.889 1.00 0.00 O ATOM 0 H ASP A 56 -4.536 7.593 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.360 5.828 -7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.040 7.722 -9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.608 6.877 -9.566 1.00 0.00 H new ATOM 880 N TYR A 57 -0.931 8.006 -7.834 1.00 0.00 N ATOM 881 CA TYR A 57 -0.019 9.127 -7.685 1.00 0.00 C ATOM 882 C TYR A 57 -0.757 10.459 -7.834 1.00 0.00 C ATOM 883 O TYR A 57 -0.483 11.410 -7.103 1.00 0.00 O ATOM 884 CB TYR A 57 1.001 8.994 -8.818 1.00 0.00 C ATOM 885 CG TYR A 57 1.586 10.327 -9.289 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.206 11.166 -8.385 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.494 10.691 -10.617 1.00 0.00 C ATOM 888 CE1 TYR A 57 2.756 12.421 -8.828 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.044 11.945 -11.060 1.00 0.00 C ATOM 890 CZ TYR A 57 2.648 12.749 -10.143 1.00 0.00 C ATOM 891 OH TYR A 57 3.168 13.934 -10.561 1.00 0.00 O ATOM 0 H TYR A 57 -0.600 7.266 -8.454 1.00 0.00 H new ATOM 0 HA TYR A 57 0.446 9.114 -6.699 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.815 8.349 -8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.526 8.498 -9.664 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.279 10.881 -7.346 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.009 10.034 -11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.243 13.087 -8.131 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.979 12.241 -12.097 1.00 0.00 H new ATOM 0 HH TYR A 57 3.019 14.035 -11.524 1.00 0.00 H new ATOM 901 N GLN A 58 -1.680 10.484 -8.784 1.00 0.00 N ATOM 902 CA GLN A 58 -2.460 11.683 -9.038 1.00 0.00 C ATOM 903 C GLN A 58 -3.852 11.552 -8.417 1.00 0.00 C ATOM 904 O GLN A 58 -4.838 11.364 -9.128 1.00 0.00 O ATOM 905 CB GLN A 58 -2.554 11.970 -10.538 1.00 0.00 C ATOM 906 CG GLN A 58 -1.386 12.842 -11.003 1.00 0.00 C ATOM 907 CD GLN A 58 -1.621 13.359 -12.424 1.00 0.00 C ATOM 908 OE1 GLN A 58 -1.661 12.609 -13.386 1.00 0.00 O ATOM 909 NE2 GLN A 58 -1.773 14.678 -12.502 1.00 0.00 N ATOM 0 H GLN A 58 -1.905 9.693 -9.387 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.953 12.528 -8.572 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.555 11.031 -11.092 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.497 12.471 -10.758 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.262 13.684 -10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.461 12.266 -10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.728 15.247 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.934 15.120 -13.407 1.00 0.00 H new ATOM 918 N SER A 59 -3.889 11.657 -7.096 1.00 0.00 N ATOM 919 CA SER A 59 -5.144 11.552 -6.371 1.00 0.00 C ATOM 920 C SER A 59 -4.933 11.929 -4.904 1.00 0.00 C ATOM 921 O SER A 59 -3.836 11.772 -4.370 1.00 0.00 O ATOM 922 CB SER A 59 -5.726 10.141 -6.479 1.00 0.00 C ATOM 923 OG SER A 59 -6.973 10.025 -5.800 1.00 0.00 O ATOM 0 H SER A 59 -3.070 11.814 -6.509 1.00 0.00 H new ATOM 0 HA SER A 59 -5.857 12.245 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.860 9.883 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.018 9.424 -6.063 1.00 0.00 H new ATOM 0 HG SER A 59 -7.527 9.351 -6.247 1.00 0.00 H new ATOM 929 N GLN A 60 -6.002 12.418 -4.292 1.00 0.00 N ATOM 930 CA GLN A 60 -5.948 12.819 -2.897 1.00 0.00 C ATOM 931 C GLN A 60 -6.984 12.043 -2.081 1.00 0.00 C ATOM 932 O GLN A 60 -7.418 12.500 -1.025 1.00 0.00 O ATOM 933 CB GLN A 60 -6.154 14.328 -2.751 1.00 0.00 C ATOM 934 CG GLN A 60 -5.050 15.104 -3.471 1.00 0.00 C ATOM 935 CD GLN A 60 -3.758 15.106 -2.651 1.00 0.00 C ATOM 936 OE1 GLN A 60 -3.709 14.653 -1.520 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.717 15.641 -3.284 1.00 0.00 N ATOM 0 H GLN A 60 -6.911 12.545 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.957 12.582 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -7.125 14.607 -3.159 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.163 14.597 -1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.864 14.658 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.376 16.129 -3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.827 16.002 -4.231 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.809 15.690 -2.822 1.00 0.00 H new ATOM 946 N GLU A 61 -7.351 10.881 -2.603 1.00 0.00 N ATOM 947 CA GLU A 61 -8.329 10.037 -1.937 1.00 0.00 C ATOM 948 C GLU A 61 -7.631 8.868 -1.238 1.00 0.00 C ATOM 949 O GLU A 61 -7.032 8.017 -1.893 1.00 0.00 O ATOM 950 CB GLU A 61 -9.384 9.535 -2.924 1.00 0.00 C ATOM 951 CG GLU A 61 -10.739 10.193 -2.660 1.00 0.00 C ATOM 952 CD GLU A 61 -11.810 9.643 -3.605 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.507 9.554 -4.815 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.906 9.325 -3.096 1.00 0.00 O ATOM 0 H GLU A 61 -6.989 10.505 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.841 10.634 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.064 9.749 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.479 8.452 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.037 10.018 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.655 11.272 -2.789 1.00 0.00 H new ATOM 961 N PRO A 62 -7.736 8.864 0.118 1.00 0.00 N ATOM 962 CA PRO A 62 -7.122 7.814 0.913 1.00 0.00 C ATOM 963 C PRO A 62 -7.922 6.513 0.813 1.00 0.00 C ATOM 964 O PRO A 62 -9.151 6.538 0.765 1.00 0.00 O ATOM 965 CB PRO A 62 -7.068 8.371 2.326 1.00 0.00 C ATOM 966 CG PRO A 62 -8.068 9.515 2.362 1.00 0.00 C ATOM 967 CD PRO A 62 -8.438 9.856 0.927 1.00 0.00 C ATOM 0 HA PRO A 62 -6.123 7.551 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.325 7.605 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.065 8.721 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.955 9.229 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.638 10.383 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.516 9.802 0.772 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.129 10.869 0.668 1.00 0.00 H new ATOM 975 N LEU A 63 -7.192 5.408 0.785 1.00 0.00 N ATOM 976 CA LEU A 63 -7.817 4.100 0.692 1.00 0.00 C ATOM 977 C LEU A 63 -8.105 3.575 2.100 1.00 0.00 C ATOM 978 O LEU A 63 -7.476 4.005 3.067 1.00 0.00 O ATOM 979 CB LEU A 63 -6.961 3.155 -0.153 1.00 0.00 C ATOM 980 CG LEU A 63 -6.550 3.676 -1.532 1.00 0.00 C ATOM 981 CD1 LEU A 63 -5.374 2.873 -2.093 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.742 3.691 -2.491 1.00 0.00 C ATOM 0 H LEU A 63 -6.173 5.392 0.825 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.775 4.172 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.057 2.916 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.509 2.222 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.213 4.707 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.102 3.263 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.521 2.957 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.660 1.825 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.422 4.065 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.132 2.679 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.522 4.339 -2.092 1.00 0.00 H new ATOM 994 N ASP A 64 -9.054 2.654 2.172 1.00 0.00 N ATOM 995 CA ASP A 64 -9.432 2.066 3.446 1.00 0.00 C ATOM 996 C ASP A 64 -8.567 0.832 3.710 1.00 0.00 C ATOM 997 O ASP A 64 -8.826 -0.240 3.164 1.00 0.00 O ATOM 998 CB ASP A 64 -10.896 1.624 3.436 1.00 0.00 C ATOM 999 CG ASP A 64 -11.842 2.499 4.260 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.658 2.526 5.496 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.728 3.122 3.636 1.00 0.00 O ATOM 0 H ASP A 64 -9.573 2.300 1.368 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.288 2.819 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.247 1.607 2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.954 0.602 3.809 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.558 1.023 4.546 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.653 -0.061 4.889 1.00 0.00 C ATOM 1008 C LEU A 65 -7.459 -1.345 5.099 1.00 0.00 C ATOM 1009 O LEU A 65 -7.205 -2.355 4.445 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.786 0.324 6.089 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.894 1.553 5.906 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.360 2.049 7.251 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.767 1.269 4.911 1.00 0.00 C ATOM 0 H LEU A 65 -7.347 1.913 4.997 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.958 -0.250 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.440 0.499 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.152 -0.526 6.341 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.500 2.355 5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.729 2.923 7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.195 2.317 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.775 1.260 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.148 2.159 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.156 0.445 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.194 1.000 3.945 1.00 0.00 H new ATOM 1025 N THR A 66 -8.415 -1.263 6.013 1.00 0.00 N ATOM 1026 CA THR A 66 -9.259 -2.405 6.317 1.00 0.00 C ATOM 1027 C THR A 66 -9.656 -3.133 5.031 1.00 0.00 C ATOM 1028 O THR A 66 -9.735 -4.360 5.007 1.00 0.00 O ATOM 1029 CB THR A 66 -10.458 -1.905 7.126 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.106 -0.984 6.253 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.040 -1.050 8.325 1.00 0.00 C ATOM 0 H THR A 66 -8.623 -0.423 6.553 1.00 0.00 H new ATOM 0 HA THR A 66 -8.726 -3.141 6.919 1.00 0.00 H new ATOM 0 HB THR A 66 -11.042 -2.757 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.896 -0.613 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.928 -0.721 8.865 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.409 -1.640 8.990 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.485 -0.180 7.975 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.894 -2.345 3.993 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.280 -2.899 2.706 1.00 0.00 C ATOM 1041 C LYS A 67 -9.065 -3.565 2.057 1.00 0.00 C ATOM 1042 O LYS A 67 -7.928 -3.166 2.305 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.931 -1.824 1.834 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.167 -1.236 2.519 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.450 -1.854 1.960 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.079 -2.818 2.967 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.541 -2.905 2.758 1.00 0.00 N ATOM 0 H LYS A 67 -9.827 -1.327 4.017 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.037 -3.673 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.212 -1.031 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.213 -2.252 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.111 -1.414 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.187 -0.156 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.161 -1.065 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.229 -2.384 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.631 -3.806 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.870 -2.480 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.952 -3.564 3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.966 -1.964 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.734 -3.249 1.796 1.00 0.00 H new ATOM 1061 N SER A 68 -9.346 -4.567 1.238 1.00 0.00 N ATOM 1062 CA SER A 68 -8.290 -5.292 0.551 1.00 0.00 C ATOM 1063 C SER A 68 -8.276 -4.915 -0.932 1.00 0.00 C ATOM 1064 O SER A 68 -9.258 -4.386 -1.451 1.00 0.00 O ATOM 1065 CB SER A 68 -8.464 -6.803 0.714 1.00 0.00 C ATOM 1066 OG SER A 68 -9.815 -7.209 0.517 1.00 0.00 O ATOM 0 H SER A 68 -10.290 -4.895 1.034 1.00 0.00 H new ATOM 0 HA SER A 68 -7.336 -5.013 0.999 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.822 -7.321 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.138 -7.100 1.711 1.00 0.00 H new ATOM 0 HG SER A 68 -9.884 -8.180 0.628 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.153 -5.204 -1.572 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.998 -4.902 -2.985 1.00 0.00 C ATOM 1074 C LEU A 69 -8.228 -5.402 -3.746 1.00 0.00 C ATOM 1075 O LEU A 69 -8.593 -4.842 -4.779 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.678 -5.467 -3.512 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.414 -4.705 -3.109 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.355 -3.339 -3.795 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.306 -4.588 -1.587 1.00 0.00 C ATOM 0 H LEU A 69 -6.341 -5.644 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.942 -3.825 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.583 -6.497 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.728 -5.499 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.549 -5.274 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.447 -2.818 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.351 -3.475 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.225 -2.749 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.399 -4.042 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.174 -4.054 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.268 -5.585 -1.147 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.833 -6.450 -3.206 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.014 -7.031 -3.822 1.00 0.00 C ATOM 1093 C ASN A 70 -11.203 -6.087 -3.626 1.00 0.00 C ATOM 1094 O ASN A 70 -11.828 -5.661 -4.596 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.366 -8.373 -3.179 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.236 -9.516 -4.188 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.844 -9.516 -5.246 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.412 -10.486 -3.804 1.00 0.00 N ATOM 0 H ASN A 70 -8.528 -6.912 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.803 -7.182 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.708 -8.557 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.384 -8.339 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.257 -11.293 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.934 -10.423 -2.905 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.478 -5.787 -2.365 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.580 -4.902 -2.030 1.00 0.00 C ATOM 1107 C ASP A 71 -12.456 -3.610 -2.841 1.00 0.00 C ATOM 1108 O ASP A 71 -13.449 -3.099 -3.356 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.557 -4.531 -0.546 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.384 -5.711 0.413 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.635 -6.850 -0.038 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -12.005 -5.448 1.574 1.00 0.00 O ATOM 0 H ASP A 71 -10.956 -6.141 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.511 -5.422 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.746 -3.823 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.486 -4.016 -0.301 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.228 -3.121 -2.931 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.962 -1.899 -3.671 1.00 0.00 C ATOM 1119 C LEU A 72 -11.052 -2.187 -5.171 1.00 0.00 C ATOM 1120 O LEU A 72 -11.754 -1.488 -5.900 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.625 -1.293 -3.240 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.580 -0.702 -1.830 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.137 -0.547 -1.346 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.351 0.618 -1.764 1.00 0.00 C ATOM 0 H LEU A 72 -10.406 -3.549 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.715 -1.144 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.858 -2.064 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.358 -0.510 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.074 -1.398 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.134 -0.125 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.651 -1.523 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.596 0.117 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.303 1.017 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.908 1.333 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.392 0.445 -2.037 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.330 -3.217 -5.588 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.320 -3.606 -6.988 1.00 0.00 C ATOM 1138 C GLY A 73 -9.219 -2.869 -7.753 1.00 0.00 C ATOM 1139 O GLY A 73 -9.394 -2.525 -8.921 1.00 0.00 O ATOM 0 H GLY A 73 -9.748 -3.794 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.167 -4.682 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.289 -3.387 -7.437 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.109 -2.648 -7.064 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.980 -1.958 -7.664 1.00 0.00 C ATOM 1145 C LEU A 74 -5.749 -2.865 -7.616 1.00 0.00 C ATOM 1146 O LEU A 74 -5.670 -3.767 -6.783 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.768 -0.597 -6.998 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.971 0.348 -7.005 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.760 1.511 -6.033 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.278 0.834 -8.423 1.00 0.00 C ATOM 0 H LEU A 74 -7.968 -2.935 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.178 -1.745 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.468 -0.764 -5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.936 -0.098 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.843 -0.206 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.630 2.168 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.627 1.122 -5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.873 2.073 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.137 1.504 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.414 1.366 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.502 -0.021 -9.060 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.818 -2.595 -8.519 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.595 -3.375 -8.590 1.00 0.00 C ATOM 1164 C ARG A 75 -2.381 -2.486 -8.316 1.00 0.00 C ATOM 1165 O ARG A 75 -1.258 -2.977 -8.208 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.438 -4.031 -9.963 1.00 0.00 C ATOM 1167 CG ARG A 75 -2.463 -5.209 -9.901 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.029 -6.344 -9.046 1.00 0.00 C ATOM 1169 NE ARG A 75 -2.643 -7.652 -9.621 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.331 -8.281 -10.584 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -4.444 -7.727 -11.084 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -2.906 -9.465 -11.046 1.00 0.00 N ATOM 0 H ARG A 75 -4.886 -1.846 -9.208 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.656 -4.156 -7.832 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.409 -4.377 -10.318 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.079 -3.295 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.262 -5.573 -10.909 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.511 -4.877 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.656 -6.262 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.115 -6.266 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.801 -8.103 -9.262 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.768 -6.826 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.967 -8.206 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.059 -9.887 -10.665 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.429 -9.944 -11.779 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.647 -1.192 -8.211 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.590 -0.229 -7.951 1.00 0.00 C ATOM 1188 C GLU A 76 -2.059 0.812 -6.932 1.00 0.00 C ATOM 1189 O GLU A 76 -3.247 1.118 -6.855 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.129 0.441 -9.247 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.207 1.381 -9.792 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.265 0.605 -10.578 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -3.019 0.370 -11.781 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -4.296 0.264 -9.959 1.00 0.00 O ATOM 0 H GLU A 76 -3.579 -0.788 -8.301 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.736 -0.760 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.212 1.001 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.895 -0.320 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.680 1.914 -8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.748 2.132 -10.436 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.100 1.326 -6.176 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.400 2.326 -5.165 1.00 0.00 C ATOM 1203 C LEU A 77 -0.185 3.237 -4.980 1.00 0.00 C ATOM 1204 O LEU A 77 0.892 2.957 -5.504 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.869 1.656 -3.872 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.001 0.505 -3.359 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.382 0.848 -2.003 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.795 -0.802 -3.313 1.00 0.00 C ATOM 0 H LEU A 77 -0.115 1.069 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.227 2.958 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.927 2.416 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.881 1.281 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.179 0.358 -4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.230 0.013 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.240 1.738 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.174 1.038 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.155 -1.604 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.650 -0.685 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.147 -1.049 -4.315 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.398 4.310 -4.232 1.00 0.00 N ATOM 1221 CA TYR A 78 0.666 5.264 -3.971 1.00 0.00 C ATOM 1222 C TYR A 78 0.918 5.406 -2.468 1.00 0.00 C ATOM 1223 O TYR A 78 -0.019 5.375 -1.672 1.00 0.00 O ATOM 1224 CB TYR A 78 0.175 6.604 -4.523 1.00 0.00 C ATOM 1225 CG TYR A 78 1.112 7.778 -4.229 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.205 8.008 -5.040 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.863 8.607 -3.154 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.086 9.113 -4.764 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.744 9.712 -2.878 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.812 9.910 -3.696 1.00 0.00 C ATOM 1231 OH TYR A 78 3.644 10.954 -3.435 1.00 0.00 O ATOM 0 H TYR A 78 -1.292 4.540 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 78 1.597 4.937 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.047 6.516 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.807 6.821 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.399 7.359 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.007 8.427 -2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.945 9.305 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.561 10.369 -2.040 1.00 0.00 H new ATOM 0 HH TYR A 78 3.325 11.437 -2.644 1.00 0.00 H new ATOM 1241 N ALA A 79 2.188 5.560 -2.126 1.00 0.00 N ATOM 1242 CA ALA A 79 2.576 5.708 -0.733 1.00 0.00 C ATOM 1243 C ALA A 79 2.945 7.168 -0.463 1.00 0.00 C ATOM 1244 O ALA A 79 3.960 7.657 -0.958 1.00 0.00 O ATOM 1245 CB ALA A 79 3.724 4.748 -0.418 1.00 0.00 C ATOM 0 H ALA A 79 2.962 5.586 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 79 1.747 5.451 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.015 4.859 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.401 3.723 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.576 4.977 -1.058 1.00 0.00 H new ATOM 1251 N MET A 80 2.102 7.823 0.322 1.00 0.00 N ATOM 1252 CA MET A 80 2.328 9.217 0.664 1.00 0.00 C ATOM 1253 C MET A 80 3.003 9.344 2.031 1.00 0.00 C ATOM 1254 O MET A 80 2.630 8.653 2.978 1.00 0.00 O ATOM 1255 CB MET A 80 0.991 9.961 0.683 1.00 0.00 C ATOM 1256 CG MET A 80 1.205 11.469 0.824 1.00 0.00 C ATOM 1257 SD MET A 80 0.527 12.317 -0.593 1.00 0.00 S ATOM 1258 CE MET A 80 -1.208 12.286 -0.172 1.00 0.00 C ATOM 0 H MET A 80 1.262 7.414 0.731 1.00 0.00 H new ATOM 0 HA MET A 80 2.986 9.654 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.442 9.752 -0.235 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.380 9.598 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.728 11.829 1.736 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.269 11.687 0.914 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.804 12.280 -1.085 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.425 11.390 0.409 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.455 13.169 0.417 1.00 0.00 H new ATOM 1268 N ASP A 81 3.984 10.232 2.090 1.00 0.00 N ATOM 1269 CA ASP A 81 4.715 10.458 3.326 1.00 0.00 C ATOM 1270 C ASP A 81 4.204 11.740 3.988 1.00 0.00 C ATOM 1271 O ASP A 81 4.624 12.838 3.627 1.00 0.00 O ATOM 1272 CB ASP A 81 6.211 10.628 3.058 1.00 0.00 C ATOM 1273 CG ASP A 81 6.963 9.334 2.743 1.00 0.00 C ATOM 1274 OD1 ASP A 81 6.682 8.332 3.435 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.802 9.375 1.817 1.00 0.00 O ATOM 0 H ASP A 81 4.290 10.804 1.303 1.00 0.00 H new ATOM 0 HA ASP A 81 4.561 9.594 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.339 11.317 2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.670 11.094 3.930 1.00 0.00 H new ATOM 1280 N VAL A 82 3.306 11.557 4.944 1.00 0.00 N ATOM 1281 CA VAL A 82 2.734 12.685 5.660 1.00 0.00 C ATOM 1282 C VAL A 82 3.688 13.110 6.778 1.00 0.00 C ATOM 1283 O VAL A 82 3.983 14.295 6.930 1.00 0.00 O ATOM 1284 CB VAL A 82 1.337 12.327 6.170 1.00 0.00 C ATOM 1285 CG1 VAL A 82 0.424 11.905 5.016 1.00 0.00 C ATOM 1286 CG2 VAL A 82 1.407 11.236 7.241 1.00 0.00 C ATOM 0 H VAL A 82 2.960 10.644 5.240 1.00 0.00 H new ATOM 0 HA VAL A 82 2.613 13.539 4.994 1.00 0.00 H new ATOM 0 HB VAL A 82 0.909 13.219 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.563 11.656 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.336 12.725 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.848 11.034 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.400 11.000 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.865 10.341 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.006 11.589 8.081 1.00 0.00 H new ATOM 1296 N ASN A 83 4.143 12.121 7.532 1.00 0.00 N ATOM 1297 CA ASN A 83 5.057 12.378 8.632 1.00 0.00 C ATOM 1298 C ASN A 83 4.638 13.664 9.348 1.00 0.00 C ATOM 1299 O ASN A 83 5.191 14.732 9.088 1.00 0.00 O ATOM 1300 CB ASN A 83 6.489 12.564 8.127 1.00 0.00 C ATOM 1301 CG ASN A 83 6.942 11.354 7.307 1.00 0.00 C ATOM 1302 OD1 ASN A 83 6.825 10.212 7.722 1.00 0.00 O ATOM 1303 ND2 ASN A 83 7.465 11.666 6.125 1.00 0.00 N ATOM 0 H ASN A 83 3.896 11.140 7.403 1.00 0.00 H new ATOM 0 HA ASN A 83 5.021 11.523 9.307 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.549 13.465 7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.161 12.707 8.973 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.798 10.929 5.504 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.533 12.643 5.839 1.00 0.00 H new ATOM 1310 N ARG A 84 3.665 13.520 10.235 1.00 0.00 N ATOM 1311 CA ARG A 84 3.165 14.656 10.990 1.00 0.00 C ATOM 1312 C ARG A 84 2.350 14.178 12.193 1.00 0.00 C ATOM 1313 O ARG A 84 1.226 13.704 12.037 1.00 0.00 O ATOM 1314 CB ARG A 84 2.290 15.556 10.116 1.00 0.00 C ATOM 1315 CG ARG A 84 3.051 16.813 9.688 1.00 0.00 C ATOM 1316 CD ARG A 84 2.471 18.060 10.358 1.00 0.00 C ATOM 1317 NE ARG A 84 2.336 19.151 9.366 1.00 0.00 N ATOM 1318 CZ ARG A 84 1.920 20.389 9.664 1.00 0.00 C ATOM 1319 NH1 ARG A 84 1.595 20.702 10.926 1.00 0.00 N ATOM 1320 NH2 ARG A 84 1.828 21.315 8.699 1.00 0.00 N ATOM 0 H ARG A 84 3.209 12.633 10.448 1.00 0.00 H new ATOM 0 HA ARG A 84 4.026 15.229 11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.964 15.006 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.392 15.840 10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.104 16.712 9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 84 3.001 16.921 8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.498 17.830 10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.118 18.378 11.175 1.00 0.00 H new ATOM 0 HE ARG A 84 2.575 18.947 8.395 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.664 19.997 11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.278 21.645 11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.075 21.077 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.511 22.258 8.925 1.00 0.00 H new ATOM 1334 N GLU A 85 2.949 14.318 13.367 1.00 0.00 N ATOM 1335 CA GLU A 85 2.293 13.906 14.596 1.00 0.00 C ATOM 1336 C GLU A 85 3.143 14.296 15.807 1.00 0.00 C ATOM 1337 O GLU A 85 4.348 14.509 15.683 1.00 0.00 O ATOM 1338 CB GLU A 85 2.007 12.403 14.587 1.00 0.00 C ATOM 1339 CG GLU A 85 0.705 12.088 15.327 1.00 0.00 C ATOM 1340 CD GLU A 85 0.970 11.220 16.559 1.00 0.00 C ATOM 1341 OE1 GLU A 85 1.486 11.783 17.549 1.00 0.00 O ATOM 1342 OE2 GLU A 85 0.651 10.014 16.483 1.00 0.00 O ATOM 0 H GLU A 85 3.882 14.711 13.493 1.00 0.00 H new ATOM 0 HA GLU A 85 1.336 14.424 14.666 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.940 12.048 13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.834 11.869 15.055 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.221 13.017 15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.017 11.573 14.656 1.00 0.00 H new ATOM 1349 N SER A 86 2.481 14.377 16.952 1.00 0.00 N ATOM 1350 CA SER A 86 3.160 14.738 18.185 1.00 0.00 C ATOM 1351 C SER A 86 2.294 14.362 19.389 1.00 0.00 C ATOM 1352 O SER A 86 1.276 15.001 19.650 1.00 0.00 O ATOM 1353 CB SER A 86 3.491 16.231 18.215 1.00 0.00 C ATOM 1354 OG SER A 86 4.761 16.508 17.630 1.00 0.00 O ATOM 0 H SER A 86 1.482 14.199 17.052 1.00 0.00 H new ATOM 0 HA SER A 86 4.098 14.185 18.233 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.718 16.785 17.682 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.482 16.584 19.246 1.00 0.00 H new ATOM 0 HG SER A 86 4.905 15.913 16.865 1.00 0.00 H new ATOM 1360 N GLY A 87 2.729 13.325 20.090 1.00 0.00 N ATOM 1361 CA GLY A 87 2.006 12.856 21.260 1.00 0.00 C ATOM 1362 C GLY A 87 2.644 11.586 21.826 1.00 0.00 C ATOM 1363 O GLY A 87 3.609 11.069 21.266 1.00 0.00 O ATOM 0 H GLY A 87 3.573 12.796 19.870 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.998 13.634 22.023 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.967 12.658 20.995 1.00 0.00 H new ATOM 1367 N PRO A 88 2.062 11.106 22.958 1.00 0.00 N ATOM 1368 CA PRO A 88 2.563 9.905 23.605 1.00 0.00 C ATOM 1369 C PRO A 88 2.159 8.653 22.825 1.00 0.00 C ATOM 1370 O PRO A 88 0.985 8.287 22.796 1.00 0.00 O ATOM 1371 CB PRO A 88 1.982 9.944 25.009 1.00 0.00 C ATOM 1372 CG PRO A 88 0.811 10.912 24.949 1.00 0.00 C ATOM 1373 CD PRO A 88 0.917 11.691 23.649 1.00 0.00 C ATOM 0 HA PRO A 88 3.652 9.868 23.640 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.654 8.953 25.324 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.727 10.277 25.731 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.134 10.371 24.994 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.831 11.589 25.803 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.007 11.598 23.056 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.068 12.754 23.836 1.00 0.00 H new ATOM 1381 N SER A 89 3.155 8.029 22.212 1.00 0.00 N ATOM 1382 CA SER A 89 2.918 6.825 21.434 1.00 0.00 C ATOM 1383 C SER A 89 4.250 6.167 21.071 1.00 0.00 C ATOM 1384 O SER A 89 4.480 5.002 21.394 1.00 0.00 O ATOM 1385 CB SER A 89 2.117 7.136 20.169 1.00 0.00 C ATOM 1386 OG SER A 89 2.667 8.232 19.444 1.00 0.00 O ATOM 0 H SER A 89 4.128 8.335 22.239 1.00 0.00 H new ATOM 0 HA SER A 89 2.333 6.135 22.041 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.093 6.254 19.529 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.085 7.362 20.440 1.00 0.00 H new ATOM 0 HG SER A 89 2.128 8.398 18.643 1.00 0.00 H new ATOM 1392 N SER A 90 5.093 6.940 20.403 1.00 0.00 N ATOM 1393 CA SER A 90 6.397 6.447 19.992 1.00 0.00 C ATOM 1394 C SER A 90 7.339 7.621 19.720 1.00 0.00 C ATOM 1395 O SER A 90 7.266 8.249 18.665 1.00 0.00 O ATOM 1396 CB SER A 90 6.283 5.559 18.751 1.00 0.00 C ATOM 1397 OG SER A 90 5.576 6.204 17.696 1.00 0.00 O ATOM 0 H SER A 90 4.899 7.905 20.136 1.00 0.00 H new ATOM 0 HA SER A 90 6.805 5.843 20.802 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.281 5.288 18.406 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.774 4.632 19.014 1.00 0.00 H new ATOM 0 HG SER A 90 5.886 7.130 17.613 1.00 0.00 H new ATOM 1403 N GLY A 91 8.203 7.882 20.690 1.00 0.00 N ATOM 1404 CA GLY A 91 9.158 8.970 20.569 1.00 0.00 C ATOM 1405 C GLY A 91 9.733 9.039 19.153 1.00 0.00 C ATOM 1406 O GLY A 91 9.743 10.102 18.534 1.00 0.00 O ATOM 0 H GLY A 91 8.261 7.358 21.563 1.00 0.00 H new ATOM 0 HA2 GLY A 91 8.672 9.914 20.815 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.966 8.831 21.287 1.00 0.00 H new TER 1410 GLY A 91