USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc=-0.00326 (180deg=-0.106) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.649 K(o=0.65,f=-0.045) USER MOD Single : A 6 LYS NZ :NH3+ 140:sc= -0.048 (180deg=-0.409) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc=-0.00209 (180deg=-0.0751) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.685 (180deg=-0.422) USER MOD Single : A 13 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0.0214 (180deg=-0.0321) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 2.18 (180deg=1.69) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -11:sc= 0.914 USER MOD Single : A 26 GLN : amide:sc= -0.916 K(o=-0.92,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.21) USER MOD Single : A 34 CYS SG : rot -27:sc= 0.0599 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.0463 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0251 (180deg=-0.242) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.19! K(o=-2.2!,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.539! K(o=-0.54!,f=-0.029) USER MOD Single : A 51 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -3.07! C(o=-3.1!,f=-1.4!) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.15) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0759 USER MOD Single : A 73 SER OG : rot -100:sc= 0.687 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= -1.29 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -21:sc= 0.0378 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= -0.187 (180deg=-0.794) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= -1.32 (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -22.796 25.330 15.680 1.00 0.00 N ATOM 2 CA GLU A 1 -23.075 25.670 17.079 1.00 0.00 C ATOM 3 C GLU A 1 -23.273 24.411 17.893 1.00 0.00 C ATOM 4 O GLU A 1 -22.422 24.042 18.699 1.00 0.00 O ATOM 5 CB GLU A 1 -24.301 26.585 17.210 1.00 0.00 C ATOM 6 CG GLU A 1 -24.630 26.982 18.639 1.00 0.00 C ATOM 7 CD GLU A 1 -25.871 27.818 18.741 1.00 0.00 C ATOM 8 OE1 GLU A 1 -25.807 29.020 18.475 1.00 0.00 O ATOM 9 OE2 GLU A 1 -26.939 27.288 19.096 1.00 0.00 O ATOM 0 H1 GLU A 1 -22.662 26.203 15.131 1.00 0.00 H new ATOM 0 H2 GLU A 1 -21.933 24.752 15.629 1.00 0.00 H new ATOM 0 H3 GLU A 1 -23.595 24.793 15.287 1.00 0.00 H new ATOM 0 HA GLU A 1 -22.214 26.216 17.464 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -24.131 27.488 16.624 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -25.165 26.081 16.776 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -24.754 26.082 19.242 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -23.790 27.535 19.060 1.00 0.00 H new ATOM 18 N LYS A 2 -24.390 23.743 17.682 1.00 0.00 N ATOM 19 CA LYS A 2 -24.703 22.557 18.427 1.00 0.00 C ATOM 20 C LYS A 2 -24.349 21.333 17.626 1.00 0.00 C ATOM 21 O LYS A 2 -25.122 20.894 16.759 1.00 0.00 O ATOM 22 CB LYS A 2 -26.183 22.529 18.813 1.00 0.00 C ATOM 23 CG LYS A 2 -26.635 23.717 19.636 1.00 0.00 C ATOM 24 CD LYS A 2 -28.098 23.597 20.009 1.00 0.00 C ATOM 25 CE LYS A 2 -28.582 24.811 20.783 1.00 0.00 C ATOM 26 NZ LYS A 2 -27.838 25.021 22.047 1.00 0.00 N ATOM 0 H LYS A 2 -25.095 24.010 16.995 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.113 22.563 19.344 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -26.783 22.482 17.904 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -26.383 21.616 19.374 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -26.031 23.788 20.540 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -26.474 24.636 19.072 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -28.696 23.480 19.105 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.248 22.699 20.609 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -28.483 25.698 20.157 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -29.643 24.695 21.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.305 25.764 22.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -27.824 24.136 22.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -26.863 25.311 21.832 1.00 0.00 H new ATOM 40 N LYS A 3 -23.165 20.833 17.849 1.00 0.00 N ATOM 41 CA LYS A 3 -22.707 19.639 17.198 1.00 0.00 C ATOM 42 C LYS A 3 -22.098 18.700 18.193 1.00 0.00 C ATOM 43 O LYS A 3 -20.961 18.882 18.634 1.00 0.00 O ATOM 44 CB LYS A 3 -21.734 19.928 16.046 1.00 0.00 C ATOM 45 CG LYS A 3 -22.394 20.514 14.811 1.00 0.00 C ATOM 46 CD LYS A 3 -23.452 19.560 14.271 1.00 0.00 C ATOM 47 CE LYS A 3 -24.164 20.141 13.076 1.00 0.00 C ATOM 48 NZ LYS A 3 -25.269 19.277 12.618 1.00 0.00 N ATOM 0 H LYS A 3 -22.488 21.245 18.491 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.580 19.163 16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.967 20.618 16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.229 19.002 15.770 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.851 21.473 15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.642 20.705 14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.984 18.616 13.993 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.176 19.338 15.054 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.555 21.126 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.452 20.281 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.732 19.713 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -24.893 18.345 12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.962 19.164 13.385 1.00 0.00 H new ATOM 62 N GLU A 4 -22.859 17.704 18.551 1.00 0.00 N ATOM 63 CA GLU A 4 -22.433 16.676 19.486 1.00 0.00 C ATOM 64 C GLU A 4 -21.844 15.495 18.724 1.00 0.00 C ATOM 65 O GLU A 4 -21.706 14.401 19.263 1.00 0.00 O ATOM 66 CB GLU A 4 -23.624 16.205 20.331 1.00 0.00 C ATOM 67 CG GLU A 4 -24.212 17.267 21.248 1.00 0.00 C ATOM 68 CD GLU A 4 -23.213 17.766 22.259 1.00 0.00 C ATOM 69 OE1 GLU A 4 -22.912 17.039 23.222 1.00 0.00 O ATOM 70 OE2 GLU A 4 -22.700 18.888 22.102 1.00 0.00 O ATOM 0 H GLU A 4 -23.808 17.573 18.202 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.673 17.093 20.146 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -24.407 15.847 19.663 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.309 15.355 20.937 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.568 18.105 20.648 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.078 16.856 21.768 1.00 0.00 H new ATOM 77 N GLN A 5 -21.483 15.730 17.480 1.00 0.00 N ATOM 78 CA GLN A 5 -20.946 14.693 16.638 1.00 0.00 C ATOM 79 C GLN A 5 -19.466 14.470 16.931 1.00 0.00 C ATOM 80 O GLN A 5 -18.604 15.283 16.565 1.00 0.00 O ATOM 81 CB GLN A 5 -21.170 15.021 15.154 1.00 0.00 C ATOM 82 CG GLN A 5 -20.725 13.927 14.177 1.00 0.00 C ATOM 83 CD GLN A 5 -21.433 12.597 14.417 1.00 0.00 C ATOM 84 OE1 GLN A 5 -22.514 12.340 13.867 1.00 0.00 O ATOM 85 NE2 GLN A 5 -20.829 11.735 15.196 1.00 0.00 N ATOM 0 H GLN A 5 -21.555 16.642 17.030 1.00 0.00 H new ATOM 0 HA GLN A 5 -21.477 13.767 16.860 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -22.230 15.219 14.997 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -20.635 15.940 14.915 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.918 14.257 13.156 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.648 13.782 14.267 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.940 11.978 15.633 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -21.247 10.820 15.366 1.00 0.00 H new ATOM 94 N LYS A 6 -19.197 13.405 17.623 1.00 0.00 N ATOM 95 CA LYS A 6 -17.863 12.975 17.946 1.00 0.00 C ATOM 96 C LYS A 6 -17.688 11.569 17.390 1.00 0.00 C ATOM 97 O LYS A 6 -18.289 11.249 16.347 1.00 0.00 O ATOM 98 CB LYS A 6 -17.663 13.012 19.470 1.00 0.00 C ATOM 99 CG LYS A 6 -17.710 14.413 20.050 1.00 0.00 C ATOM 100 CD LYS A 6 -17.558 14.414 21.558 1.00 0.00 C ATOM 101 CE LYS A 6 -17.599 15.831 22.113 1.00 0.00 C ATOM 102 NZ LYS A 6 -18.847 16.529 21.740 1.00 0.00 N ATOM 0 H LYS A 6 -19.921 12.789 17.992 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.115 13.634 17.506 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -18.433 12.404 19.945 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.703 12.558 19.714 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.917 15.015 19.606 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.656 14.884 19.782 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.355 13.821 22.007 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.615 13.940 21.832 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.511 15.799 23.199 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.743 16.393 21.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.185 17.091 22.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.665 17.158 20.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.571 15.830 21.477 1.00 0.00 H new ATOM 116 N GLU A 7 -16.864 10.761 18.046 1.00 0.00 N ATOM 117 CA GLU A 7 -16.585 9.382 17.654 1.00 0.00 C ATOM 118 C GLU A 7 -15.957 9.314 16.277 1.00 0.00 C ATOM 119 O GLU A 7 -16.567 8.846 15.294 1.00 0.00 O ATOM 120 CB GLU A 7 -17.818 8.484 17.738 1.00 0.00 C ATOM 121 CG GLU A 7 -18.451 8.433 19.106 1.00 0.00 C ATOM 122 CD GLU A 7 -19.625 7.510 19.140 1.00 0.00 C ATOM 123 OE1 GLU A 7 -20.728 7.912 18.732 1.00 0.00 O ATOM 124 OE2 GLU A 7 -19.470 6.350 19.588 1.00 0.00 O ATOM 0 H GLU A 7 -16.359 11.051 18.884 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.865 8.998 18.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.559 8.834 17.019 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.539 7.473 17.441 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.711 8.107 19.837 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.767 9.434 19.398 1.00 0.00 H new ATOM 131 N LYS A 8 -14.783 9.836 16.192 1.00 0.00 N ATOM 132 CA LYS A 8 -14.037 9.830 14.978 1.00 0.00 C ATOM 133 C LYS A 8 -13.056 8.693 15.013 1.00 0.00 C ATOM 134 O LYS A 8 -12.389 8.463 16.023 1.00 0.00 O ATOM 135 CB LYS A 8 -13.410 11.223 14.682 1.00 0.00 C ATOM 136 CG LYS A 8 -12.794 11.963 15.881 1.00 0.00 C ATOM 137 CD LYS A 8 -11.479 11.373 16.350 1.00 0.00 C ATOM 138 CE LYS A 8 -11.023 12.009 17.653 1.00 0.00 C ATOM 139 NZ LYS A 8 -10.843 13.475 17.546 1.00 0.00 N ATOM 0 H LYS A 8 -14.306 10.286 16.973 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.697 9.653 14.129 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.636 11.096 13.925 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.181 11.859 14.247 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.638 13.007 15.611 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.504 11.950 16.708 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.589 10.297 16.487 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.718 11.521 15.584 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.754 11.794 18.432 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.083 11.554 17.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.435 13.840 18.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.202 13.689 16.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.765 13.927 17.377 1.00 0.00 H new ATOM 153 N GLU A 9 -13.013 7.945 13.969 1.00 0.00 N ATOM 154 CA GLU A 9 -12.216 6.764 13.951 1.00 0.00 C ATOM 155 C GLU A 9 -11.086 6.895 12.974 1.00 0.00 C ATOM 156 O GLU A 9 -11.305 6.932 11.757 1.00 0.00 O ATOM 157 CB GLU A 9 -13.076 5.567 13.580 1.00 0.00 C ATOM 158 CG GLU A 9 -14.257 5.341 14.505 1.00 0.00 C ATOM 159 CD GLU A 9 -15.157 4.260 14.003 1.00 0.00 C ATOM 160 OE1 GLU A 9 -16.076 4.559 13.203 1.00 0.00 O ATOM 161 OE2 GLU A 9 -14.966 3.096 14.366 1.00 0.00 O ATOM 0 H GLU A 9 -13.525 8.130 13.106 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.797 6.619 14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.445 5.700 12.563 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.453 4.672 13.579 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.895 5.080 15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.823 6.267 14.605 1.00 0.00 H new ATOM 168 N LYS A 10 -9.901 7.046 13.487 1.00 0.00 N ATOM 169 CA LYS A 10 -8.733 6.997 12.667 1.00 0.00 C ATOM 170 C LYS A 10 -8.332 5.544 12.629 1.00 0.00 C ATOM 171 O LYS A 10 -7.877 4.995 13.641 1.00 0.00 O ATOM 172 CB LYS A 10 -7.603 7.852 13.252 1.00 0.00 C ATOM 173 CG LYS A 10 -6.384 7.956 12.347 1.00 0.00 C ATOM 174 CD LYS A 10 -6.744 8.633 11.035 1.00 0.00 C ATOM 175 CE LYS A 10 -5.553 8.725 10.103 1.00 0.00 C ATOM 176 NZ LYS A 10 -5.891 9.456 8.868 1.00 0.00 N ATOM 0 H LYS A 10 -9.720 7.205 14.478 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.931 7.394 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.983 8.854 13.451 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.299 7.430 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.599 8.521 12.850 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.985 6.961 12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.545 8.077 10.547 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.127 9.634 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.730 9.227 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.208 7.722 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.055 9.501 8.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.660 8.962 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.197 10.421 9.108 1.00 0.00 H new ATOM 190 N LYS A 11 -8.560 4.912 11.520 1.00 0.00 N ATOM 191 CA LYS A 11 -8.351 3.498 11.409 1.00 0.00 C ATOM 192 C LYS A 11 -7.790 3.159 10.046 1.00 0.00 C ATOM 193 O LYS A 11 -8.124 3.815 9.047 1.00 0.00 O ATOM 194 CB LYS A 11 -9.686 2.762 11.624 1.00 0.00 C ATOM 195 CG LYS A 11 -9.551 1.261 11.603 1.00 0.00 C ATOM 196 CD LYS A 11 -10.870 0.553 11.736 1.00 0.00 C ATOM 197 CE LYS A 11 -10.650 -0.939 11.702 1.00 0.00 C ATOM 198 NZ LYS A 11 -10.001 -1.369 10.436 1.00 0.00 N ATOM 0 H LYS A 11 -8.896 5.359 10.667 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.637 3.182 12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.111 3.068 12.580 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.390 3.067 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.074 0.957 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.894 0.949 12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.354 0.838 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.537 0.851 10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.030 -1.235 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.606 -1.451 11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.649 -1.986 9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.772 -0.533 9.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.127 -1.890 10.653 1.00 0.00 H new ATOM 212 N GLU A 12 -6.956 2.152 9.999 1.00 0.00 N ATOM 213 CA GLU A 12 -6.367 1.714 8.769 1.00 0.00 C ATOM 214 C GLU A 12 -7.176 0.569 8.106 1.00 0.00 C ATOM 215 O GLU A 12 -8.212 0.125 8.632 1.00 0.00 O ATOM 216 CB GLU A 12 -4.857 1.391 8.952 1.00 0.00 C ATOM 217 CG GLU A 12 -4.493 0.471 10.120 1.00 0.00 C ATOM 218 CD GLU A 12 -5.040 -0.916 9.980 1.00 0.00 C ATOM 219 OE1 GLU A 12 -4.522 -1.682 9.164 1.00 0.00 O ATOM 220 OE2 GLU A 12 -6.020 -1.253 10.661 1.00 0.00 O ATOM 0 H GLU A 12 -6.668 1.614 10.817 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.416 2.541 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.491 0.935 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.320 2.331 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.408 0.418 10.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.865 0.908 11.046 1.00 0.00 H new ATOM 227 N GLN A 13 -6.676 0.100 6.982 1.00 0.00 N ATOM 228 CA GLN A 13 -7.326 -0.906 6.114 1.00 0.00 C ATOM 229 C GLN A 13 -7.388 -2.345 6.654 1.00 0.00 C ATOM 230 O GLN A 13 -7.916 -3.209 5.963 1.00 0.00 O ATOM 231 CB GLN A 13 -6.653 -0.937 4.762 1.00 0.00 C ATOM 232 CG GLN A 13 -7.019 0.178 3.784 1.00 0.00 C ATOM 233 CD GLN A 13 -8.413 0.044 3.136 1.00 0.00 C ATOM 234 OE1 GLN A 13 -8.608 0.471 1.995 1.00 0.00 O ATOM 235 NE2 GLN A 13 -9.377 -0.529 3.820 1.00 0.00 N ATOM 0 H GLN A 13 -5.774 0.409 6.619 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.361 -0.568 6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.575 -0.911 4.919 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.883 -1.892 4.290 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.969 1.132 4.309 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.269 0.209 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.197 -0.876 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.305 -0.627 3.409 1.00 0.00 H new ATOM 244 N GLU A 14 -6.806 -2.590 7.819 1.00 0.00 N ATOM 245 CA GLU A 14 -6.648 -3.948 8.439 1.00 0.00 C ATOM 246 C GLU A 14 -5.404 -4.590 7.893 1.00 0.00 C ATOM 247 O GLU A 14 -5.171 -5.791 8.018 1.00 0.00 O ATOM 248 CB GLU A 14 -7.874 -4.878 8.276 1.00 0.00 C ATOM 249 CG GLU A 14 -9.079 -4.484 9.097 1.00 0.00 C ATOM 250 CD GLU A 14 -8.799 -4.563 10.567 1.00 0.00 C ATOM 251 OE1 GLU A 14 -8.826 -5.674 11.134 1.00 0.00 O ATOM 252 OE2 GLU A 14 -8.562 -3.512 11.196 1.00 0.00 O ATOM 0 H GLU A 14 -6.411 -1.846 8.395 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.563 -3.797 9.515 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.159 -4.899 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.582 -5.892 8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.379 -3.469 8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.916 -5.137 8.851 1.00 0.00 H new ATOM 259 N ILE A 15 -4.550 -3.737 7.410 1.00 0.00 N ATOM 260 CA ILE A 15 -3.337 -4.110 6.777 1.00 0.00 C ATOM 261 C ILE A 15 -2.286 -4.260 7.824 1.00 0.00 C ATOM 262 O ILE A 15 -1.340 -5.059 7.686 1.00 0.00 O ATOM 263 CB ILE A 15 -2.930 -3.032 5.713 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.811 -1.610 6.327 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.920 -3.023 4.569 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.413 -1.230 6.803 1.00 0.00 C ATOM 0 H ILE A 15 -4.692 -2.728 7.452 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.459 -5.058 6.253 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.944 -3.308 5.339 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.137 -0.881 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.498 -1.535 7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.625 -2.270 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.935 -4.004 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.914 -2.789 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.431 -0.221 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.088 -1.931 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.720 -1.266 5.962 1.00 0.00 H new ATOM 278 N LYS A 16 -2.515 -3.549 8.919 1.00 0.00 N ATOM 279 CA LYS A 16 -1.592 -3.465 9.986 1.00 0.00 C ATOM 280 C LYS A 16 -1.406 -4.815 10.622 1.00 0.00 C ATOM 281 O LYS A 16 -0.298 -5.242 10.880 1.00 0.00 O ATOM 282 CB LYS A 16 -2.051 -2.456 11.029 1.00 0.00 C ATOM 283 CG LYS A 16 -0.921 -1.697 11.682 1.00 0.00 C ATOM 284 CD LYS A 16 -0.262 -0.790 10.660 1.00 0.00 C ATOM 285 CE LYS A 16 0.931 -0.043 11.240 1.00 0.00 C ATOM 286 NZ LYS A 16 0.541 0.848 12.354 1.00 0.00 N ATOM 0 H LYS A 16 -3.370 -3.013 9.071 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.638 -3.127 9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.730 -1.745 10.559 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.619 -2.977 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.300 -1.107 12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.189 -2.394 12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.063 -1.384 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.993 -0.072 10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.671 -0.761 11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.406 0.545 10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.371 1.387 12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.196 1.507 12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.173 0.278 13.142 1.00 0.00 H new ATOM 300 N LYS A 17 -2.498 -5.504 10.779 1.00 0.00 N ATOM 301 CA LYS A 17 -2.511 -6.797 11.433 1.00 0.00 C ATOM 302 C LYS A 17 -2.493 -7.916 10.409 1.00 0.00 C ATOM 303 O LYS A 17 -2.734 -9.075 10.740 1.00 0.00 O ATOM 304 CB LYS A 17 -3.750 -6.963 12.346 1.00 0.00 C ATOM 305 CG LYS A 17 -3.839 -6.017 13.552 1.00 0.00 C ATOM 306 CD LYS A 17 -4.272 -4.590 13.202 1.00 0.00 C ATOM 307 CE LYS A 17 -5.684 -4.557 12.631 1.00 0.00 C ATOM 308 NZ LYS A 17 -6.204 -3.182 12.469 1.00 0.00 N ATOM 0 H LYS A 17 -3.414 -5.191 10.458 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.614 -6.852 12.050 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.644 -6.826 11.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.769 -7.989 12.714 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.543 -6.432 14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.866 -5.979 14.042 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.225 -3.966 14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.576 -4.165 12.479 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.692 -5.060 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.350 -5.117 13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.233 -3.215 12.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.992 -2.628 13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.753 -2.735 11.645 1.00 0.00 H new ATOM 322 N LYS A 18 -2.218 -7.586 9.170 1.00 0.00 N ATOM 323 CA LYS A 18 -2.223 -8.595 8.142 1.00 0.00 C ATOM 324 C LYS A 18 -0.796 -8.929 7.746 1.00 0.00 C ATOM 325 O LYS A 18 -0.376 -10.085 7.817 1.00 0.00 O ATOM 326 CB LYS A 18 -3.018 -8.120 6.943 1.00 0.00 C ATOM 327 CG LYS A 18 -3.631 -9.245 6.123 1.00 0.00 C ATOM 328 CD LYS A 18 -4.653 -10.013 6.956 1.00 0.00 C ATOM 329 CE LYS A 18 -5.786 -9.105 7.446 1.00 0.00 C ATOM 330 NZ LYS A 18 -6.701 -9.817 8.364 1.00 0.00 N ATOM 0 H LYS A 18 -1.992 -6.643 8.854 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.699 -9.497 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.814 -7.459 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.367 -7.528 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.111 -8.836 5.234 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.849 -9.922 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.070 -10.826 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.156 -10.468 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.363 -8.238 7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.348 -8.731 6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.454 -9.170 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.124 -10.630 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.170 -10.152 9.193 1.00 0.00 H new ATOM 344 N PHE A 19 -0.046 -7.913 7.322 1.00 0.00 N ATOM 345 CA PHE A 19 1.373 -8.094 7.031 1.00 0.00 C ATOM 346 C PHE A 19 2.101 -8.058 8.382 1.00 0.00 C ATOM 347 O PHE A 19 3.161 -8.652 8.553 1.00 0.00 O ATOM 348 CB PHE A 19 1.872 -6.952 6.104 1.00 0.00 C ATOM 349 CG PHE A 19 3.233 -7.154 5.429 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.391 -7.365 6.163 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.345 -7.074 4.053 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.619 -7.491 5.543 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.573 -7.205 3.430 1.00 0.00 C ATOM 354 CZ PHE A 19 5.713 -7.408 4.172 1.00 0.00 C ATOM 0 H PHE A 19 -0.394 -6.966 7.174 1.00 0.00 H new ATOM 0 HA PHE A 19 1.561 -9.036 6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.126 -6.797 5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.916 -6.034 6.690 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.331 -7.432 7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.461 -6.907 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.507 -7.655 6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.637 -7.147 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.672 -7.501 3.684 1.00 0.00 H new ATOM 364 N LYS A 20 1.452 -7.380 9.345 1.00 0.00 N ATOM 365 CA LYS A 20 1.925 -7.216 10.720 1.00 0.00 C ATOM 366 C LYS A 20 3.130 -6.302 10.763 1.00 0.00 C ATOM 367 O LYS A 20 4.270 -6.736 10.617 1.00 0.00 O ATOM 368 CB LYS A 20 2.183 -8.567 11.404 1.00 0.00 C ATOM 369 CG LYS A 20 0.952 -9.472 11.449 1.00 0.00 C ATOM 370 CD LYS A 20 1.312 -10.888 11.859 1.00 0.00 C ATOM 371 CE LYS A 20 1.868 -10.962 13.270 1.00 0.00 C ATOM 372 NZ LYS A 20 2.404 -12.309 13.555 1.00 0.00 N ATOM 0 H LYS A 20 0.558 -6.919 9.177 1.00 0.00 H new ATOM 0 HA LYS A 20 1.133 -6.737 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.985 -9.084 10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.531 -8.390 12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.225 -9.063 12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.475 -9.487 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.427 -11.520 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.047 -11.289 11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.656 -10.219 13.394 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.084 -10.719 13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.778 -12.336 14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.644 -13.013 13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.167 -12.528 12.883 1.00 0.00 H new ATOM 386 N LEU A 21 2.870 -5.020 10.901 1.00 0.00 N ATOM 387 CA LEU A 21 3.943 -4.038 10.861 1.00 0.00 C ATOM 388 C LEU A 21 4.371 -3.620 12.244 1.00 0.00 C ATOM 389 O LEU A 21 5.446 -3.071 12.426 1.00 0.00 O ATOM 390 CB LEU A 21 3.578 -2.803 10.031 1.00 0.00 C ATOM 391 CG LEU A 21 3.099 -3.049 8.564 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.959 -4.083 7.892 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.620 -3.438 8.445 1.00 0.00 C ATOM 0 H LEU A 21 1.937 -4.632 11.041 1.00 0.00 H new ATOM 0 HA LEU A 21 4.782 -4.533 10.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.792 -2.262 10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.449 -2.148 9.998 1.00 0.00 H new ATOM 0 HG LEU A 21 3.204 -2.090 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.609 -4.240 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.993 -3.739 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.899 -5.021 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.367 -3.591 7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.440 -4.359 8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.000 -2.641 8.855 1.00 0.00 H new ATOM 405 N THR A 22 3.515 -3.875 13.197 1.00 0.00 N ATOM 406 CA THR A 22 3.691 -3.573 14.611 1.00 0.00 C ATOM 407 C THR A 22 3.646 -2.072 14.949 1.00 0.00 C ATOM 408 O THR A 22 2.667 -1.598 15.544 1.00 0.00 O ATOM 409 CB THR A 22 4.890 -4.322 15.324 1.00 0.00 C ATOM 410 OG1 THR A 22 6.179 -3.957 14.774 1.00 0.00 O ATOM 411 CG2 THR A 22 4.714 -5.826 15.208 1.00 0.00 C ATOM 0 H THR A 22 2.620 -4.326 13.006 1.00 0.00 H new ATOM 0 HA THR A 22 2.795 -4.008 15.055 1.00 0.00 H new ATOM 0 HB THR A 22 4.870 -4.016 16.370 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.049 -3.442 13.950 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.545 -6.329 15.702 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.778 -6.120 15.682 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.692 -6.110 14.156 1.00 0.00 H new ATOM 419 N GLY A 23 4.642 -1.330 14.545 1.00 0.00 N ATOM 420 CA GLY A 23 4.707 0.058 14.909 1.00 0.00 C ATOM 421 C GLY A 23 4.521 0.966 13.729 1.00 0.00 C ATOM 422 O GLY A 23 3.569 0.785 12.952 1.00 0.00 O ATOM 0 H GLY A 23 5.415 -1.661 13.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.940 0.272 15.654 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.671 0.264 15.375 1.00 0.00 H new ATOM 426 N PRO A 24 5.411 1.953 13.566 1.00 0.00 N ATOM 427 CA PRO A 24 5.346 2.896 12.466 1.00 0.00 C ATOM 428 C PRO A 24 5.743 2.257 11.144 1.00 0.00 C ATOM 429 O PRO A 24 6.380 1.185 11.105 1.00 0.00 O ATOM 430 CB PRO A 24 6.351 3.982 12.860 1.00 0.00 C ATOM 431 CG PRO A 24 7.326 3.296 13.743 1.00 0.00 C ATOM 432 CD PRO A 24 6.561 2.219 14.454 1.00 0.00 C ATOM 0 HA PRO A 24 4.336 3.275 12.312 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.841 4.404 11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.860 4.806 13.378 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.146 2.873 13.163 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.766 3.995 14.454 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.169 1.326 14.598 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.236 2.546 15.442 1.00 0.00 H new ATOM 440 N ILE A 25 5.397 2.908 10.082 1.00 0.00 N ATOM 441 CA ILE A 25 5.651 2.405 8.768 1.00 0.00 C ATOM 442 C ILE A 25 6.219 3.548 7.894 1.00 0.00 C ATOM 443 O ILE A 25 5.643 4.649 7.837 1.00 0.00 O ATOM 444 CB ILE A 25 4.325 1.793 8.174 1.00 0.00 C ATOM 445 CG1 ILE A 25 4.551 1.089 6.848 1.00 0.00 C ATOM 446 CG2 ILE A 25 3.190 2.807 8.069 1.00 0.00 C ATOM 447 CD1 ILE A 25 5.322 -0.200 6.977 1.00 0.00 C ATOM 0 H ILE A 25 4.926 3.812 10.100 1.00 0.00 H new ATOM 0 HA ILE A 25 6.392 1.606 8.794 1.00 0.00 H new ATOM 0 HB ILE A 25 4.011 1.040 8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.586 0.881 6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.088 1.759 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.307 2.323 7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.957 3.197 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.494 3.627 7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.447 -0.649 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.301 0.004 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.776 -0.888 7.623 1.00 0.00 H new ATOM 459 N GLN A 26 7.367 3.322 7.277 1.00 0.00 N ATOM 460 CA GLN A 26 7.987 4.345 6.440 1.00 0.00 C ATOM 461 C GLN A 26 8.198 3.779 5.050 1.00 0.00 C ATOM 462 O GLN A 26 8.126 2.575 4.868 1.00 0.00 O ATOM 463 CB GLN A 26 9.362 4.780 6.993 1.00 0.00 C ATOM 464 CG GLN A 26 10.496 3.797 6.679 1.00 0.00 C ATOM 465 CD GLN A 26 11.863 4.246 7.164 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.722 3.417 7.476 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.091 5.527 7.219 1.00 0.00 N ATOM 0 H GLN A 26 7.888 2.447 7.337 1.00 0.00 H new ATOM 0 HA GLN A 26 7.326 5.211 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.616 5.757 6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.287 4.900 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.261 2.833 7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.539 3.642 5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.360 6.187 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.001 5.870 7.527 1.00 0.00 H new ATOM 476 N VAL A 27 8.492 4.633 4.099 1.00 0.00 N ATOM 477 CA VAL A 27 8.796 4.203 2.754 1.00 0.00 C ATOM 478 C VAL A 27 10.263 3.868 2.653 1.00 0.00 C ATOM 479 O VAL A 27 11.124 4.586 3.172 1.00 0.00 O ATOM 480 CB VAL A 27 8.464 5.300 1.713 1.00 0.00 C ATOM 481 CG1 VAL A 27 9.015 4.964 0.342 1.00 0.00 C ATOM 482 CG2 VAL A 27 6.997 5.479 1.613 1.00 0.00 C ATOM 0 H VAL A 27 8.527 5.643 4.234 1.00 0.00 H new ATOM 0 HA VAL A 27 8.184 3.327 2.540 1.00 0.00 H new ATOM 0 HB VAL A 27 8.934 6.222 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.759 5.760 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.099 4.866 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.583 4.025 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.774 6.253 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.536 4.541 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.600 5.775 2.584 1.00 0.00 H new ATOM 492 N ILE A 28 10.536 2.803 2.011 1.00 0.00 N ATOM 493 CA ILE A 28 11.873 2.366 1.778 1.00 0.00 C ATOM 494 C ILE A 28 12.295 2.703 0.336 1.00 0.00 C ATOM 495 O ILE A 28 13.437 3.094 0.094 1.00 0.00 O ATOM 496 CB ILE A 28 12.052 0.823 2.081 1.00 0.00 C ATOM 497 CG1 ILE A 28 12.061 0.510 3.597 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.312 0.263 1.457 1.00 0.00 C ATOM 499 CD1 ILE A 28 10.774 0.748 4.335 1.00 0.00 C ATOM 0 H ILE A 28 9.825 2.186 1.618 1.00 0.00 H new ATOM 0 HA ILE A 28 12.526 2.900 2.468 1.00 0.00 H new ATOM 0 HB ILE A 28 11.184 0.341 1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.342 -0.535 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.840 1.111 4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.393 -0.798 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.272 0.394 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.180 0.790 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.905 0.493 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.494 1.798 4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.988 0.126 3.906 1.00 0.00 H new ATOM 511 N HIS A 29 11.349 2.654 -0.602 1.00 0.00 N ATOM 512 CA HIS A 29 11.678 2.828 -2.044 1.00 0.00 C ATOM 513 C HIS A 29 10.439 3.168 -2.812 1.00 0.00 C ATOM 514 O HIS A 29 9.327 3.008 -2.302 1.00 0.00 O ATOM 515 CB HIS A 29 12.277 1.546 -2.704 1.00 0.00 C ATOM 516 CG HIS A 29 13.683 1.148 -2.316 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.002 -0.102 -1.828 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.859 1.813 -2.408 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.301 -0.181 -1.644 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.838 0.958 -1.985 1.00 0.00 N ATOM 0 H HIS A 29 10.360 2.499 -0.409 1.00 0.00 H new ATOM 0 HA HIS A 29 12.422 3.623 -2.080 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.616 0.710 -2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.253 1.683 -3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.997 2.828 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.834 -1.044 -1.273 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.833 1.176 -1.943 1.00 0.00 H new ATOM 529 N LEU A 30 10.623 3.571 -4.041 1.00 0.00 N ATOM 530 CA LEU A 30 9.521 3.903 -4.913 1.00 0.00 C ATOM 531 C LEU A 30 9.389 2.832 -5.980 1.00 0.00 C ATOM 532 O LEU A 30 10.272 2.637 -6.793 1.00 0.00 O ATOM 533 CB LEU A 30 9.705 5.294 -5.582 1.00 0.00 C ATOM 534 CG LEU A 30 9.562 6.564 -4.697 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.620 6.642 -3.613 1.00 0.00 C ATOM 536 CD2 LEU A 30 9.618 7.810 -5.559 1.00 0.00 C ATOM 0 H LEU A 30 11.542 3.680 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 30 8.615 3.950 -4.309 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.696 5.316 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.981 5.371 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 30 8.594 6.498 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.473 7.548 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.540 5.771 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.609 6.663 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.517 8.693 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.572 7.846 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.805 7.787 -6.285 1.00 0.00 H new ATOM 548 N ALA A 31 8.310 2.150 -5.958 1.00 0.00 N ATOM 549 CA ALA A 31 8.029 1.116 -6.916 1.00 0.00 C ATOM 550 C ALA A 31 7.147 1.617 -8.015 1.00 0.00 C ATOM 551 O ALA A 31 6.415 2.574 -7.873 1.00 0.00 O ATOM 552 CB ALA A 31 7.394 -0.106 -6.278 1.00 0.00 C ATOM 0 H ALA A 31 7.573 2.285 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 31 8.992 0.821 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.202 -0.858 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.069 -0.517 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.454 0.178 -5.804 1.00 0.00 H new ATOM 558 N LYS A 32 7.251 0.982 -9.094 1.00 0.00 N ATOM 559 CA LYS A 32 6.456 1.250 -10.224 1.00 0.00 C ATOM 560 C LYS A 32 5.497 0.117 -10.349 1.00 0.00 C ATOM 561 O LYS A 32 5.924 -1.052 -10.276 1.00 0.00 O ATOM 562 CB LYS A 32 7.346 1.300 -11.446 1.00 0.00 C ATOM 563 CG LYS A 32 6.629 1.416 -12.777 1.00 0.00 C ATOM 564 CD LYS A 32 7.606 1.228 -13.920 1.00 0.00 C ATOM 565 CE LYS A 32 8.236 -0.154 -13.868 1.00 0.00 C ATOM 566 NZ LYS A 32 9.201 -0.376 -14.944 1.00 0.00 N ATOM 0 H LYS A 32 7.919 0.224 -9.233 1.00 0.00 H new ATOM 0 HA LYS A 32 5.929 2.200 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.024 2.147 -11.344 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.961 0.400 -11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.839 0.668 -12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.150 2.392 -12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.091 1.362 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.384 1.990 -13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.733 -0.286 -12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.452 -0.909 -13.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.674 -1.292 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.706 -0.379 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.910 0.385 -14.937 1.00 0.00 H new ATOM 580 N ALA A 33 4.229 0.410 -10.470 1.00 0.00 N ATOM 581 CA ALA A 33 3.290 -0.624 -10.750 1.00 0.00 C ATOM 582 C ALA A 33 3.610 -1.169 -12.117 1.00 0.00 C ATOM 583 O ALA A 33 3.579 -0.435 -13.098 1.00 0.00 O ATOM 584 CB ALA A 33 1.896 -0.083 -10.730 1.00 0.00 C ATOM 0 H ALA A 33 3.834 1.346 -10.379 1.00 0.00 H new ATOM 0 HA ALA A 33 3.355 -1.408 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.191 -0.886 -10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.681 0.334 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.798 0.698 -11.484 1.00 0.00 H new ATOM 590 N CYS A 34 3.988 -2.407 -12.161 1.00 0.00 N ATOM 591 CA CYS A 34 4.349 -3.057 -13.399 1.00 0.00 C ATOM 592 C CYS A 34 3.098 -3.609 -14.072 1.00 0.00 C ATOM 593 O CYS A 34 3.090 -3.909 -15.268 1.00 0.00 O ATOM 594 CB CYS A 34 5.352 -4.185 -13.116 1.00 0.00 C ATOM 595 SG CYS A 34 5.948 -5.054 -14.580 1.00 0.00 S ATOM 0 H CYS A 34 4.058 -3.007 -11.339 1.00 0.00 H new ATOM 0 HA CYS A 34 4.816 -2.335 -14.069 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.208 -3.767 -12.586 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.885 -4.908 -12.447 1.00 0.00 H new ATOM 0 HG CYS A 34 5.054 -4.983 -15.521 1.00 0.00 H new ATOM 601 N CYS A 35 2.047 -3.728 -13.309 1.00 0.00 N ATOM 602 CA CYS A 35 0.822 -4.252 -13.812 1.00 0.00 C ATOM 603 C CYS A 35 -0.324 -3.519 -13.145 1.00 0.00 C ATOM 604 O CYS A 35 -0.145 -2.929 -12.079 1.00 0.00 O ATOM 605 CB CYS A 35 0.756 -5.753 -13.503 1.00 0.00 C ATOM 606 SG CYS A 35 -0.621 -6.634 -14.266 1.00 0.00 S ATOM 0 H CYS A 35 2.022 -3.463 -12.324 1.00 0.00 H new ATOM 0 HA CYS A 35 0.756 -4.114 -14.891 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.688 -6.216 -13.828 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.696 -5.883 -12.422 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.569 -7.890 -13.935 1.00 0.00 H new ATOM 612 N ASP A 36 -1.459 -3.500 -13.788 1.00 0.00 N ATOM 613 CA ASP A 36 -2.655 -2.923 -13.218 1.00 0.00 C ATOM 614 C ASP A 36 -3.482 -3.997 -12.542 1.00 0.00 C ATOM 615 O ASP A 36 -4.139 -4.816 -13.181 1.00 0.00 O ATOM 616 CB ASP A 36 -3.495 -2.137 -14.250 1.00 0.00 C ATOM 617 CG ASP A 36 -3.987 -2.950 -15.425 1.00 0.00 C ATOM 618 OD1 ASP A 36 -3.174 -3.266 -16.327 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.191 -3.241 -15.500 1.00 0.00 O ATOM 0 H ASP A 36 -1.586 -3.884 -14.724 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.337 -2.196 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.356 -1.704 -13.741 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.897 -1.307 -14.627 1.00 0.00 H new ATOM 624 N VAL A 37 -3.394 -4.039 -11.263 1.00 0.00 N ATOM 625 CA VAL A 37 -4.133 -5.016 -10.492 1.00 0.00 C ATOM 626 C VAL A 37 -5.195 -4.280 -9.667 1.00 0.00 C ATOM 627 O VAL A 37 -5.035 -3.090 -9.357 1.00 0.00 O ATOM 628 CB VAL A 37 -3.177 -5.852 -9.588 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.609 -5.029 -8.491 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.833 -7.092 -9.033 1.00 0.00 C ATOM 0 H VAL A 37 -2.816 -3.408 -10.707 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.625 -5.722 -11.160 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.362 -6.181 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.947 -5.643 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.045 -4.198 -8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.417 -4.640 -7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.120 -7.634 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.697 -6.809 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.157 -7.731 -9.855 1.00 0.00 H new ATOM 640 N LYS A 38 -6.265 -4.934 -9.336 1.00 0.00 N ATOM 641 CA LYS A 38 -7.336 -4.292 -8.615 1.00 0.00 C ATOM 642 C LYS A 38 -7.660 -5.031 -7.332 1.00 0.00 C ATOM 643 O LYS A 38 -8.828 -5.201 -6.963 1.00 0.00 O ATOM 644 CB LYS A 38 -8.598 -4.051 -9.498 1.00 0.00 C ATOM 645 CG LYS A 38 -9.122 -5.253 -10.288 1.00 0.00 C ATOM 646 CD LYS A 38 -8.308 -5.522 -11.552 1.00 0.00 C ATOM 647 CE LYS A 38 -8.800 -6.760 -12.282 1.00 0.00 C ATOM 648 NZ LYS A 38 -10.232 -6.672 -12.626 1.00 0.00 N ATOM 0 H LYS A 38 -6.426 -5.918 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.979 -3.301 -8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.400 -3.691 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.372 -3.252 -10.204 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.103 -6.138 -9.652 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.163 -5.079 -10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.370 -4.659 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.258 -5.647 -11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.217 -6.898 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.631 -7.638 -11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.476 -7.433 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.803 -6.771 -11.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.427 -5.750 -13.067 1.00 0.00 H new ATOM 662 N GLY A 39 -6.614 -5.433 -6.638 1.00 0.00 N ATOM 663 CA GLY A 39 -6.773 -6.082 -5.367 1.00 0.00 C ATOM 664 C GLY A 39 -7.256 -7.496 -5.484 1.00 0.00 C ATOM 665 O GLY A 39 -8.298 -7.856 -4.932 1.00 0.00 O ATOM 0 H GLY A 39 -5.646 -5.318 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.819 -6.073 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.478 -5.513 -4.761 1.00 0.00 H new ATOM 669 N GLY A 40 -6.505 -8.291 -6.172 1.00 0.00 N ATOM 670 CA GLY A 40 -6.889 -9.648 -6.377 1.00 0.00 C ATOM 671 C GLY A 40 -6.409 -10.497 -5.246 1.00 0.00 C ATOM 672 O GLY A 40 -5.228 -10.435 -4.896 1.00 0.00 O ATOM 0 H GLY A 40 -5.620 -8.024 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.974 -9.718 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.474 -10.013 -7.317 1.00 0.00 H new ATOM 676 N LYS A 41 -7.326 -11.249 -4.632 1.00 0.00 N ATOM 677 CA LYS A 41 -7.008 -12.155 -3.507 1.00 0.00 C ATOM 678 C LYS A 41 -6.528 -11.342 -2.309 1.00 0.00 C ATOM 679 O LYS A 41 -5.673 -11.788 -1.516 1.00 0.00 O ATOM 680 CB LYS A 41 -5.974 -13.254 -3.903 1.00 0.00 C ATOM 681 CG LYS A 41 -6.493 -14.368 -4.847 1.00 0.00 C ATOM 682 CD LYS A 41 -6.914 -13.849 -6.214 1.00 0.00 C ATOM 683 CE LYS A 41 -7.327 -14.971 -7.154 1.00 0.00 C ATOM 684 NZ LYS A 41 -7.753 -14.443 -8.468 1.00 0.00 N ATOM 0 H LYS A 41 -8.312 -11.253 -4.895 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.921 -12.683 -3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.123 -12.769 -4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.604 -13.722 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.713 -15.119 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.341 -14.866 -4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.744 -13.152 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.090 -13.291 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.493 -15.660 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.142 -15.541 -6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.028 -15.232 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.564 -13.805 -8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.967 -13.920 -8.904 1.00 0.00 H new ATOM 698 N ASN A 42 -7.130 -10.156 -2.184 1.00 0.00 N ATOM 699 CA ASN A 42 -6.854 -9.176 -1.130 1.00 0.00 C ATOM 700 C ASN A 42 -5.486 -8.526 -1.341 1.00 0.00 C ATOM 701 O ASN A 42 -4.464 -8.999 -0.841 1.00 0.00 O ATOM 702 CB ASN A 42 -7.056 -9.775 0.281 1.00 0.00 C ATOM 703 CG ASN A 42 -6.854 -8.786 1.404 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.759 -8.036 1.759 1.00 0.00 O ATOM 705 ND2 ASN A 42 -5.712 -8.823 2.018 1.00 0.00 N ATOM 0 H ASN A 42 -7.848 -9.841 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.587 -8.372 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.063 -10.185 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.364 -10.606 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.545 -8.217 2.821 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.981 -9.458 1.697 1.00 0.00 H new ATOM 712 N GLU A 43 -5.485 -7.451 -2.134 1.00 0.00 N ATOM 713 CA GLU A 43 -4.269 -6.790 -2.591 1.00 0.00 C ATOM 714 C GLU A 43 -4.572 -5.288 -2.846 1.00 0.00 C ATOM 715 O GLU A 43 -5.663 -4.812 -2.509 1.00 0.00 O ATOM 716 CB GLU A 43 -3.778 -7.504 -3.855 1.00 0.00 C ATOM 717 CG GLU A 43 -2.350 -7.201 -4.258 1.00 0.00 C ATOM 718 CD GLU A 43 -1.804 -8.255 -5.148 1.00 0.00 C ATOM 719 OE1 GLU A 43 -2.066 -8.232 -6.349 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.141 -9.176 -4.628 1.00 0.00 O ATOM 0 H GLU A 43 -6.340 -7.014 -2.478 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.481 -6.843 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.875 -8.579 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.436 -7.236 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.310 -6.237 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.729 -7.117 -3.366 1.00 0.00 H new ATOM 727 N LEU A 44 -3.633 -4.549 -3.411 1.00 0.00 N ATOM 728 CA LEU A 44 -3.808 -3.111 -3.647 1.00 0.00 C ATOM 729 C LEU A 44 -4.313 -2.905 -5.077 1.00 0.00 C ATOM 730 O LEU A 44 -4.081 -3.729 -5.955 1.00 0.00 O ATOM 731 CB LEU A 44 -2.425 -2.429 -3.553 1.00 0.00 C ATOM 732 CG LEU A 44 -2.345 -0.995 -2.976 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.936 -0.541 -2.983 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.172 0.010 -3.731 1.00 0.00 C ATOM 0 H LEU A 44 -2.733 -4.916 -3.720 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.507 -2.699 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.782 -3.067 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.998 -2.407 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.748 -1.050 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.877 0.469 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.334 -1.213 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.558 -0.544 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.065 0.991 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.831 0.058 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.220 -0.290 -3.708 1.00 0.00 H new ATOM 746 N SER A 45 -5.047 -1.839 -5.278 1.00 0.00 N ATOM 747 CA SER A 45 -5.531 -1.480 -6.569 1.00 0.00 C ATOM 748 C SER A 45 -4.697 -0.331 -7.160 1.00 0.00 C ATOM 749 O SER A 45 -4.631 0.770 -6.592 1.00 0.00 O ATOM 750 CB SER A 45 -7.004 -1.103 -6.500 1.00 0.00 C ATOM 751 OG SER A 45 -7.802 -2.172 -5.997 1.00 0.00 O ATOM 0 H SER A 45 -5.323 -1.196 -4.536 1.00 0.00 H new ATOM 0 HA SER A 45 -5.431 -2.343 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.125 -0.228 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.355 -0.824 -7.494 1.00 0.00 H new ATOM 0 HG SER A 45 -8.741 -1.893 -5.966 1.00 0.00 H new ATOM 757 N PHE A 46 -4.067 -0.602 -8.275 1.00 0.00 N ATOM 758 CA PHE A 46 -3.216 0.342 -8.963 1.00 0.00 C ATOM 759 C PHE A 46 -3.152 -0.009 -10.431 1.00 0.00 C ATOM 760 O PHE A 46 -3.739 -0.999 -10.861 1.00 0.00 O ATOM 761 CB PHE A 46 -1.798 0.380 -8.338 1.00 0.00 C ATOM 762 CG PHE A 46 -1.166 -0.969 -8.102 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.527 -1.646 -9.121 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.199 -1.545 -6.849 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.065 -2.868 -8.902 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.611 -2.767 -6.621 1.00 0.00 C ATOM 767 CZ PHE A 46 0.026 -3.429 -7.649 1.00 0.00 C ATOM 0 H PHE A 46 -4.132 -1.506 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.643 1.339 -8.856 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.146 0.960 -8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.851 0.910 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.491 -1.208 -10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.692 -1.030 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.559 -3.384 -9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.648 -3.208 -5.636 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.493 -4.386 -7.469 1.00 0.00 H new ATOM 777 N LYS A 47 -2.467 0.785 -11.192 1.00 0.00 N ATOM 778 CA LYS A 47 -2.308 0.554 -12.604 1.00 0.00 C ATOM 779 C LYS A 47 -0.879 0.737 -12.947 1.00 0.00 C ATOM 780 O LYS A 47 -0.190 1.473 -12.246 1.00 0.00 O ATOM 781 CB LYS A 47 -3.155 1.520 -13.439 1.00 0.00 C ATOM 782 CG LYS A 47 -4.650 1.309 -13.330 1.00 0.00 C ATOM 783 CD LYS A 47 -5.394 2.301 -14.187 1.00 0.00 C ATOM 784 CE LYS A 47 -6.881 2.052 -14.143 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.627 3.068 -14.900 1.00 0.00 N ATOM 0 H LYS A 47 -1.995 1.623 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.642 -0.459 -12.830 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.923 2.541 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.864 1.425 -14.485 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.902 0.294 -13.638 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.962 1.413 -12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.182 3.313 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.041 2.233 -15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.096 1.064 -14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.219 2.050 -13.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.645 2.863 -14.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.441 4.008 -14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.323 3.053 -15.894 1.00 0.00 H new ATOM 799 N GLN A 48 -0.422 0.044 -13.969 1.00 0.00 N ATOM 800 CA GLN A 48 0.950 0.182 -14.457 1.00 0.00 C ATOM 801 C GLN A 48 1.328 1.663 -14.619 1.00 0.00 C ATOM 802 O GLN A 48 0.687 2.398 -15.378 1.00 0.00 O ATOM 803 CB GLN A 48 1.143 -0.600 -15.784 1.00 0.00 C ATOM 804 CG GLN A 48 2.572 -0.585 -16.361 1.00 0.00 C ATOM 805 CD GLN A 48 2.813 0.402 -17.523 1.00 0.00 C ATOM 806 OE1 GLN A 48 3.661 0.154 -18.376 1.00 0.00 O ATOM 807 NE2 GLN A 48 2.100 1.495 -17.577 1.00 0.00 N ATOM 0 H GLN A 48 -0.983 -0.631 -14.489 1.00 0.00 H new ATOM 0 HA GLN A 48 1.622 -0.250 -13.716 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.846 -1.636 -15.621 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.464 -0.188 -16.530 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.267 -0.347 -15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.816 -1.590 -16.705 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.400 1.683 -16.859 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.243 2.160 -18.337 1.00 0.00 H new ATOM 816 N GLY A 49 2.338 2.082 -13.893 1.00 0.00 N ATOM 817 CA GLY A 49 2.778 3.456 -13.958 1.00 0.00 C ATOM 818 C GLY A 49 2.112 4.370 -12.929 1.00 0.00 C ATOM 819 O GLY A 49 2.213 5.587 -13.031 1.00 0.00 O ATOM 0 H GLY A 49 2.869 1.493 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.858 3.489 -13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.579 3.844 -14.957 1.00 0.00 H new ATOM 823 N GLU A 50 1.430 3.797 -11.949 1.00 0.00 N ATOM 824 CA GLU A 50 0.765 4.598 -10.898 1.00 0.00 C ATOM 825 C GLU A 50 1.696 5.097 -9.817 1.00 0.00 C ATOM 826 O GLU A 50 1.326 5.997 -9.062 1.00 0.00 O ATOM 827 CB GLU A 50 -0.407 3.864 -10.262 1.00 0.00 C ATOM 828 CG GLU A 50 -1.745 4.135 -10.927 1.00 0.00 C ATOM 829 CD GLU A 50 -2.175 5.581 -10.779 1.00 0.00 C ATOM 830 OE1 GLU A 50 -1.685 6.440 -11.536 1.00 0.00 O ATOM 831 OE2 GLU A 50 -3.009 5.885 -9.898 1.00 0.00 O ATOM 0 H GLU A 50 1.315 2.789 -11.848 1.00 0.00 H new ATOM 0 HA GLU A 50 0.392 5.473 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.210 2.792 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.472 4.147 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.680 3.883 -11.986 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.504 3.485 -10.491 1.00 0.00 H new ATOM 838 N GLN A 51 2.875 4.516 -9.759 1.00 0.00 N ATOM 839 CA GLN A 51 3.907 4.828 -8.751 1.00 0.00 C ATOM 840 C GLN A 51 3.455 4.415 -7.351 1.00 0.00 C ATOM 841 O GLN A 51 2.507 4.956 -6.784 1.00 0.00 O ATOM 842 CB GLN A 51 4.343 6.304 -8.784 1.00 0.00 C ATOM 843 CG GLN A 51 5.400 6.664 -7.746 1.00 0.00 C ATOM 844 CD GLN A 51 5.789 8.133 -7.763 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.928 8.482 -7.450 1.00 0.00 O ATOM 846 NE2 GLN A 51 4.867 9.010 -8.074 1.00 0.00 N ATOM 0 H GLN A 51 3.165 3.795 -10.419 1.00 0.00 H new ATOM 0 HA GLN A 51 4.786 4.239 -9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.730 6.535 -9.776 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.467 6.934 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.027 6.406 -6.755 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.290 6.058 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.931 8.697 -8.330 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.085 10.006 -8.060 1.00 0.00 H new ATOM 855 N ILE A 52 4.132 3.466 -6.821 1.00 0.00 N ATOM 856 CA ILE A 52 3.811 2.895 -5.555 1.00 0.00 C ATOM 857 C ILE A 52 5.016 3.093 -4.663 1.00 0.00 C ATOM 858 O ILE A 52 6.100 3.286 -5.152 1.00 0.00 O ATOM 859 CB ILE A 52 3.543 1.371 -5.740 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.572 1.166 -6.908 1.00 0.00 C ATOM 861 CG2 ILE A 52 3.006 0.728 -4.461 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.096 -0.237 -7.076 1.00 0.00 C ATOM 0 H ILE A 52 4.950 3.048 -7.264 1.00 0.00 H new ATOM 0 HA ILE A 52 2.926 3.360 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 52 4.489 0.878 -5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.708 1.815 -6.764 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.059 1.484 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.833 -0.334 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.733 0.852 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.069 1.208 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.414 -0.291 -7.925 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.949 -0.892 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.577 -0.556 -6.172 1.00 0.00 H new ATOM 874 N GLU A 53 4.845 3.099 -3.397 1.00 0.00 N ATOM 875 CA GLU A 53 5.980 3.173 -2.523 1.00 0.00 C ATOM 876 C GLU A 53 6.014 1.912 -1.705 1.00 0.00 C ATOM 877 O GLU A 53 4.968 1.426 -1.272 1.00 0.00 O ATOM 878 CB GLU A 53 5.918 4.398 -1.630 1.00 0.00 C ATOM 879 CG GLU A 53 5.769 5.709 -2.391 1.00 0.00 C ATOM 880 CD GLU A 53 5.654 6.896 -1.480 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.542 7.149 -0.961 1.00 0.00 O ATOM 882 OE2 GLU A 53 6.653 7.590 -1.259 1.00 0.00 O ATOM 0 H GLU A 53 3.939 3.054 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 53 6.892 3.266 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.080 4.292 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.824 4.441 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.628 5.842 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.885 5.657 -3.027 1.00 0.00 H new ATOM 889 N ILE A 54 7.180 1.361 -1.522 1.00 0.00 N ATOM 890 CA ILE A 54 7.309 0.143 -0.781 1.00 0.00 C ATOM 891 C ILE A 54 7.647 0.496 0.659 1.00 0.00 C ATOM 892 O ILE A 54 8.660 1.152 0.937 1.00 0.00 O ATOM 893 CB ILE A 54 8.362 -0.840 -1.421 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.455 -2.149 -0.669 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.721 -0.230 -1.560 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.233 -2.988 -0.799 1.00 0.00 C ATOM 0 H ILE A 54 8.058 1.739 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 54 6.364 -0.400 -0.809 1.00 0.00 H new ATOM 0 HB ILE A 54 7.988 -1.045 -2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.314 -2.711 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.636 -1.942 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.401 -0.955 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.661 0.652 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.093 0.059 -0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.365 -3.912 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.374 -2.443 -0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.064 -3.224 -1.850 1.00 0.00 H new ATOM 908 N ILE A 55 6.772 0.135 1.544 1.00 0.00 N ATOM 909 CA ILE A 55 6.924 0.475 2.941 1.00 0.00 C ATOM 910 C ILE A 55 7.344 -0.713 3.782 1.00 0.00 C ATOM 911 O ILE A 55 7.947 -0.556 4.845 1.00 0.00 O ATOM 912 CB ILE A 55 5.654 1.139 3.564 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.374 0.341 3.257 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.509 2.586 3.104 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.748 0.668 1.929 1.00 0.00 C ATOM 0 H ILE A 55 5.932 -0.402 1.329 1.00 0.00 H new ATOM 0 HA ILE A 55 7.723 1.216 2.957 1.00 0.00 H new ATOM 0 HB ILE A 55 5.791 1.133 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.607 -0.723 3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.645 0.527 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.617 3.023 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.386 3.155 3.412 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.420 2.615 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.852 0.063 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.480 1.724 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.458 0.454 1.130 1.00 0.00 H new ATOM 927 N ARG A 56 6.996 -1.892 3.360 1.00 0.00 N ATOM 928 CA ARG A 56 7.420 -3.058 4.084 1.00 0.00 C ATOM 929 C ARG A 56 7.770 -4.174 3.115 1.00 0.00 C ATOM 930 O ARG A 56 6.979 -4.523 2.241 1.00 0.00 O ATOM 931 CB ARG A 56 6.351 -3.477 5.077 1.00 0.00 C ATOM 932 CG ARG A 56 6.740 -4.586 6.028 1.00 0.00 C ATOM 933 CD ARG A 56 7.862 -4.232 6.977 1.00 0.00 C ATOM 934 NE ARG A 56 7.666 -2.957 7.688 1.00 0.00 N ATOM 935 CZ ARG A 56 7.676 -2.817 9.025 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.575 -3.894 9.819 1.00 0.00 N ATOM 937 NH2 ARG A 56 7.736 -1.598 9.562 1.00 0.00 N ATOM 0 H ARG A 56 6.429 -2.073 2.532 1.00 0.00 H new ATOM 0 HA ARG A 56 8.319 -2.825 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.063 -2.604 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.468 -3.793 4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.864 -4.872 6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.035 -5.460 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.970 -5.032 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.796 -4.184 6.417 1.00 0.00 H new ATOM 0 HE ARG A 56 7.512 -2.120 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.490 -4.824 9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.583 -3.783 10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.774 -0.776 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.744 -1.487 10.576 1.00 0.00 H new ATOM 951 N ILE A 57 8.953 -4.684 3.256 1.00 0.00 N ATOM 952 CA ILE A 57 9.484 -5.730 2.389 1.00 0.00 C ATOM 953 C ILE A 57 9.802 -6.977 3.155 1.00 0.00 C ATOM 954 O ILE A 57 9.558 -8.088 2.699 1.00 0.00 O ATOM 955 CB ILE A 57 10.794 -5.314 1.619 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.669 -4.275 2.366 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.520 -4.873 0.201 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.103 -2.863 2.372 1.00 0.00 C ATOM 0 H ILE A 57 9.602 -4.390 3.986 1.00 0.00 H new ATOM 0 HA ILE A 57 8.687 -5.904 1.666 1.00 0.00 H new ATOM 0 HB ILE A 57 11.383 -6.230 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.802 -4.604 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.658 -4.255 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.458 -4.598 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.054 -5.689 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.851 -4.013 0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.779 -2.203 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.997 -2.509 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.128 -2.864 2.858 1.00 0.00 H new ATOM 970 N THR A 58 10.315 -6.798 4.309 1.00 0.00 N ATOM 971 CA THR A 58 10.814 -7.882 5.063 1.00 0.00 C ATOM 972 C THR A 58 9.873 -8.196 6.219 1.00 0.00 C ATOM 973 O THR A 58 9.092 -7.329 6.628 1.00 0.00 O ATOM 974 CB THR A 58 12.280 -7.573 5.511 1.00 0.00 C ATOM 975 OG1 THR A 58 12.830 -8.587 6.366 1.00 0.00 O ATOM 976 CG2 THR A 58 12.385 -6.207 6.150 1.00 0.00 C ATOM 0 H THR A 58 10.402 -5.889 4.763 1.00 0.00 H new ATOM 0 HA THR A 58 10.854 -8.786 4.455 1.00 0.00 H new ATOM 0 HB THR A 58 12.882 -7.573 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 58 13.747 -8.344 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.417 -6.024 6.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.075 -5.446 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 58 11.739 -6.165 7.027 1.00 0.00 H new ATOM 984 N ASP A 59 9.925 -9.461 6.672 1.00 0.00 N ATOM 985 CA ASP A 59 9.083 -10.034 7.752 1.00 0.00 C ATOM 986 C ASP A 59 7.732 -10.461 7.183 1.00 0.00 C ATOM 987 O ASP A 59 6.814 -10.851 7.896 1.00 0.00 O ATOM 988 CB ASP A 59 8.942 -9.089 8.976 1.00 0.00 C ATOM 989 CG ASP A 59 8.258 -9.740 10.156 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.888 -10.611 10.815 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.094 -9.410 10.444 1.00 0.00 O ATOM 0 H ASP A 59 10.577 -10.143 6.285 1.00 0.00 H new ATOM 0 HA ASP A 59 9.589 -10.919 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.932 -8.749 9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.378 -8.204 8.680 1.00 0.00 H new ATOM 996 N ASN A 60 7.675 -10.453 5.867 1.00 0.00 N ATOM 997 CA ASN A 60 6.493 -10.837 5.105 1.00 0.00 C ATOM 998 C ASN A 60 5.990 -12.237 5.481 1.00 0.00 C ATOM 999 O ASN A 60 6.741 -13.217 5.446 1.00 0.00 O ATOM 1000 CB ASN A 60 6.759 -10.737 3.590 1.00 0.00 C ATOM 1001 CG ASN A 60 7.972 -11.526 3.119 1.00 0.00 C ATOM 1002 OD1 ASN A 60 9.078 -11.006 3.077 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.784 -12.770 2.784 1.00 0.00 N ATOM 0 H ASN A 60 8.462 -10.175 5.281 1.00 0.00 H new ATOM 0 HA ASN A 60 5.703 -10.133 5.364 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.878 -11.090 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.895 -9.689 3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.572 -13.340 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.849 -13.175 2.830 1.00 0.00 H new ATOM 1010 N PRO A 61 4.724 -12.340 5.884 1.00 0.00 N ATOM 1011 CA PRO A 61 4.117 -13.603 6.286 1.00 0.00 C ATOM 1012 C PRO A 61 3.938 -14.583 5.117 1.00 0.00 C ATOM 1013 O PRO A 61 4.203 -15.779 5.255 1.00 0.00 O ATOM 1014 CB PRO A 61 2.750 -13.190 6.857 1.00 0.00 C ATOM 1015 CG PRO A 61 2.851 -11.724 7.087 1.00 0.00 C ATOM 1016 CD PRO A 61 3.783 -11.217 6.037 1.00 0.00 C ATOM 0 HA PRO A 61 4.748 -14.135 6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.945 -13.425 6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.534 -13.720 7.784 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.874 -11.247 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.231 -11.509 8.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.263 -10.992 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.288 -10.303 6.349 1.00 0.00 H new ATOM 1024 N GLU A 62 3.532 -14.079 3.969 1.00 0.00 N ATOM 1025 CA GLU A 62 3.258 -14.938 2.830 1.00 0.00 C ATOM 1026 C GLU A 62 4.430 -14.939 1.858 1.00 0.00 C ATOM 1027 O GLU A 62 4.933 -15.988 1.481 1.00 0.00 O ATOM 1028 CB GLU A 62 1.976 -14.481 2.125 1.00 0.00 C ATOM 1029 CG GLU A 62 1.500 -15.389 0.996 1.00 0.00 C ATOM 1030 CD GLU A 62 1.148 -16.781 1.473 1.00 0.00 C ATOM 1031 OE1 GLU A 62 0.170 -16.929 2.215 1.00 0.00 O ATOM 1032 OE2 GLU A 62 1.871 -17.753 1.140 1.00 0.00 O ATOM 0 H GLU A 62 3.384 -13.084 3.798 1.00 0.00 H new ATOM 0 HA GLU A 62 3.118 -15.957 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.181 -14.401 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.138 -13.481 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.628 -14.942 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.279 -15.456 0.237 1.00 0.00 H new ATOM 1039 N GLY A 63 4.889 -13.765 1.502 1.00 0.00 N ATOM 1040 CA GLY A 63 5.950 -13.658 0.517 1.00 0.00 C ATOM 1041 C GLY A 63 5.798 -12.437 -0.358 1.00 0.00 C ATOM 1042 O GLY A 63 6.628 -12.177 -1.241 1.00 0.00 O ATOM 0 H GLY A 63 4.553 -12.876 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.913 -13.620 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.955 -14.551 -0.107 1.00 0.00 H new ATOM 1046 N LYS A 64 4.738 -11.709 -0.142 1.00 0.00 N ATOM 1047 CA LYS A 64 4.471 -10.508 -0.864 1.00 0.00 C ATOM 1048 C LYS A 64 4.848 -9.303 -0.035 1.00 0.00 C ATOM 1049 O LYS A 64 5.012 -9.407 1.185 1.00 0.00 O ATOM 1050 CB LYS A 64 3.028 -10.419 -1.297 1.00 0.00 C ATOM 1051 CG LYS A 64 2.010 -10.289 -0.203 1.00 0.00 C ATOM 1052 CD LYS A 64 0.620 -10.141 -0.802 1.00 0.00 C ATOM 1053 CE LYS A 64 0.337 -11.207 -1.838 1.00 0.00 C ATOM 1054 NZ LYS A 64 -0.886 -10.937 -2.614 1.00 0.00 N ATOM 0 H LYS A 64 4.028 -11.942 0.552 1.00 0.00 H new ATOM 0 HA LYS A 64 5.081 -10.525 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.924 -9.563 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.791 -11.309 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.045 -11.166 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.241 -9.424 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.125 -10.198 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.524 -9.156 -1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.185 -11.280 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.242 -12.173 -1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.069 -11.731 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.691 -10.826 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.762 -10.063 -3.164 1.00 0.00 H new ATOM 1068 N TRP A 65 4.961 -8.199 -0.691 1.00 0.00 N ATOM 1069 CA TRP A 65 5.439 -6.958 -0.104 1.00 0.00 C ATOM 1070 C TRP A 65 4.287 -6.063 0.289 1.00 0.00 C ATOM 1071 O TRP A 65 3.154 -6.371 0.022 1.00 0.00 O ATOM 1072 CB TRP A 65 6.339 -6.224 -1.094 1.00 0.00 C ATOM 1073 CG TRP A 65 7.682 -6.849 -1.286 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.345 -7.649 -0.403 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.548 -6.698 -2.420 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.554 -8.020 -0.921 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.707 -7.453 -2.159 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.450 -6.009 -3.635 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.762 -7.535 -3.062 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.498 -6.092 -4.528 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.638 -6.850 -4.239 1.00 0.00 C ATOM 0 H TRP A 65 4.721 -8.115 -1.679 1.00 0.00 H new ATOM 0 HA TRP A 65 6.007 -7.207 0.793 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.833 -6.174 -2.058 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.475 -5.198 -0.752 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.969 -7.946 0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.235 -8.623 -0.459 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.572 -5.425 -3.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.645 -8.117 -2.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.438 -5.562 -5.467 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.439 -6.895 -4.962 1.00 0.00 H new ATOM 1092 N LEU A 66 4.586 -4.965 0.933 1.00 0.00 N ATOM 1093 CA LEU A 66 3.588 -3.998 1.326 1.00 0.00 C ATOM 1094 C LEU A 66 3.845 -2.714 0.577 1.00 0.00 C ATOM 1095 O LEU A 66 4.838 -2.018 0.849 1.00 0.00 O ATOM 1096 CB LEU A 66 3.670 -3.731 2.837 1.00 0.00 C ATOM 1097 CG LEU A 66 2.594 -2.823 3.429 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.251 -3.476 3.333 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.903 -2.488 4.866 1.00 0.00 C ATOM 0 H LEU A 66 5.537 -4.712 1.203 1.00 0.00 H new ATOM 0 HA LEU A 66 2.595 -4.384 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.630 -4.689 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.644 -3.292 3.053 1.00 0.00 H new ATOM 0 HG LEU A 66 2.580 -1.897 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.495 -2.817 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.015 -3.671 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.264 -4.417 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.122 -1.840 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.948 -3.406 5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.863 -1.975 4.922 1.00 0.00 H new ATOM 1111 N GLY A 67 2.994 -2.416 -0.365 1.00 0.00 N ATOM 1112 CA GLY A 67 3.137 -1.221 -1.146 1.00 0.00 C ATOM 1113 C GLY A 67 2.000 -0.282 -0.874 1.00 0.00 C ATOM 1114 O GLY A 67 0.957 -0.715 -0.388 1.00 0.00 O ATOM 0 H GLY A 67 2.188 -2.990 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.083 -0.735 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.164 -1.472 -2.206 1.00 0.00 H new ATOM 1118 N ARG A 68 2.195 0.985 -1.142 1.00 0.00 N ATOM 1119 CA ARG A 68 1.160 1.970 -0.929 1.00 0.00 C ATOM 1120 C ARG A 68 1.065 2.925 -2.087 1.00 0.00 C ATOM 1121 O ARG A 68 2.075 3.255 -2.734 1.00 0.00 O ATOM 1122 CB ARG A 68 1.406 2.759 0.362 1.00 0.00 C ATOM 1123 CG ARG A 68 0.328 3.776 0.717 1.00 0.00 C ATOM 1124 CD ARG A 68 0.795 4.745 1.779 1.00 0.00 C ATOM 1125 NE ARG A 68 1.879 5.605 1.305 1.00 0.00 N ATOM 1126 CZ ARG A 68 2.575 6.445 2.070 1.00 0.00 C ATOM 1127 NH1 ARG A 68 2.250 6.591 3.352 1.00 0.00 N ATOM 1128 NH2 ARG A 68 3.571 7.150 1.546 1.00 0.00 N ATOM 0 H ARG A 68 3.068 1.362 -1.511 1.00 0.00 H new ATOM 0 HA ARG A 68 0.218 1.428 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.503 2.053 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.359 3.280 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.041 4.329 -0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.562 3.254 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.044 5.363 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.131 4.188 2.654 1.00 0.00 H new ATOM 0 HE ARG A 68 2.120 5.558 0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.472 6.061 3.744 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.779 7.233 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.803 7.048 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.104 7.793 2.132 1.00 0.00 H new ATOM 1142 N THR A 69 -0.125 3.360 -2.331 1.00 0.00 N ATOM 1143 CA THR A 69 -0.415 4.349 -3.331 1.00 0.00 C ATOM 1144 C THR A 69 -0.601 5.699 -2.655 1.00 0.00 C ATOM 1145 O THR A 69 -0.780 5.751 -1.432 1.00 0.00 O ATOM 1146 CB THR A 69 -1.665 3.963 -4.129 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.696 3.527 -3.223 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.346 2.862 -5.132 1.00 0.00 C ATOM 0 H THR A 69 -0.951 3.032 -1.830 1.00 0.00 H new ATOM 0 HA THR A 69 0.417 4.409 -4.032 1.00 0.00 H new ATOM 0 HB THR A 69 -2.013 4.835 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.497 3.282 -3.732 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.248 2.603 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.581 3.212 -5.825 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.981 1.982 -4.602 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.577 6.766 -3.437 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.649 8.151 -2.953 1.00 0.00 C ATOM 1158 C ALA A 70 -1.814 8.406 -1.992 1.00 0.00 C ATOM 1159 O ALA A 70 -1.691 9.201 -1.050 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.728 9.106 -4.130 1.00 0.00 C ATOM 0 H ALA A 70 -0.505 6.700 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 70 0.263 8.327 -2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.781 10.131 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.158 8.989 -4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.618 8.885 -4.719 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.925 7.722 -2.205 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.101 7.917 -1.349 1.00 0.00 C ATOM 1168 C ARG A 71 -3.945 7.186 -0.009 1.00 0.00 C ATOM 1169 O ARG A 71 -4.631 7.487 0.967 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.386 7.444 -2.033 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.463 5.941 -2.250 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.872 5.511 -2.594 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.975 4.067 -2.771 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.051 3.401 -3.200 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -9.194 4.048 -3.441 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.993 2.075 -3.338 1.00 0.00 N ATOM 0 H ARG A 71 -3.046 7.035 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.175 8.989 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.240 7.757 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.475 7.944 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.785 5.651 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.131 5.423 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.551 5.829 -1.803 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.191 6.012 -3.508 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.148 3.514 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.249 5.056 -3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.012 3.534 -3.768 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.131 1.576 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.810 1.560 -3.665 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.051 6.237 0.030 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.874 5.436 1.200 1.00 0.00 C ATOM 1192 C GLY A 72 -3.724 4.196 1.147 1.00 0.00 C ATOM 1193 O GLY A 72 -4.890 4.199 1.541 1.00 0.00 O ATOM 0 H GLY A 72 -2.431 6.001 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.825 5.156 1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.132 6.019 2.085 1.00 0.00 H new ATOM 1197 N SER A 73 -3.137 3.172 0.641 1.00 0.00 N ATOM 1198 CA SER A 73 -3.688 1.905 0.473 1.00 0.00 C ATOM 1199 C SER A 73 -2.488 1.052 0.544 1.00 0.00 C ATOM 1200 O SER A 73 -1.516 1.321 -0.118 1.00 0.00 O ATOM 1201 CB SER A 73 -4.332 1.759 -0.893 1.00 0.00 C ATOM 1202 OG SER A 73 -5.307 2.759 -1.118 1.00 0.00 O ATOM 0 H SER A 73 -2.174 3.220 0.309 1.00 0.00 H new ATOM 0 HA SER A 73 -4.467 1.671 1.199 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.565 1.817 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.793 0.775 -0.975 1.00 0.00 H new ATOM 0 HG SER A 73 -6.200 2.387 -0.958 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.542 0.107 1.323 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.428 -0.723 1.637 1.00 0.00 C ATOM 1210 C TYR A 74 -1.777 -2.104 1.241 1.00 0.00 C ATOM 1211 O TYR A 74 -1.853 -3.023 2.065 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.209 -0.674 3.107 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.519 0.546 3.676 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.202 1.739 3.846 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.806 0.489 4.075 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.580 2.840 4.390 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.437 1.587 4.629 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.738 2.762 4.784 1.00 0.00 C ATOM 1219 OH TYR A 74 1.347 3.874 5.334 1.00 0.00 O ATOM 0 H TYR A 74 -3.397 -0.160 1.811 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.527 -0.394 1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.180 -0.767 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.626 -1.551 3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.238 1.806 3.547 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.357 -0.431 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.125 3.765 4.508 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.470 1.523 4.938 1.00 0.00 H new ATOM 0 HH TYR A 74 2.276 3.659 5.562 1.00 0.00 H new ATOM 1229 N GLY A 75 -2.014 -2.260 0.003 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.418 -3.496 -0.470 1.00 0.00 C ATOM 1231 C GLY A 75 -1.234 -4.285 -0.771 1.00 0.00 C ATOM 1232 O GLY A 75 -0.611 -4.081 -1.798 1.00 0.00 O ATOM 0 H GLY A 75 -1.931 -1.529 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.032 -4.004 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.031 -3.378 -1.363 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.853 -5.044 0.210 1.00 0.00 N ATOM 1237 CA TYR A 76 0.237 -6.018 0.142 1.00 0.00 C ATOM 1238 C TYR A 76 0.302 -6.643 -1.245 1.00 0.00 C ATOM 1239 O TYR A 76 -0.521 -7.473 -1.629 1.00 0.00 O ATOM 1240 CB TYR A 76 0.108 -7.107 1.242 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.046 -6.883 2.186 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.316 -7.240 1.803 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -0.878 -6.305 3.444 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.386 -7.040 2.611 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -1.963 -6.107 4.266 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.221 -6.480 3.832 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.323 -6.295 4.633 1.00 0.00 O ATOM 0 H TYR A 76 -1.300 -5.014 1.126 1.00 0.00 H new ATOM 0 HA TYR A 76 1.171 -5.488 0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.008 -8.080 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.034 -7.142 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.466 -7.692 0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.108 -6.012 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.373 -7.328 2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.833 -5.664 5.242 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.988 -6.988 4.439 1.00 0.00 H new ATOM 1257 N ILE A 77 1.234 -6.134 -1.986 1.00 0.00 N ATOM 1258 CA ILE A 77 1.482 -6.452 -3.326 1.00 0.00 C ATOM 1259 C ILE A 77 2.183 -7.695 -3.504 1.00 0.00 C ATOM 1260 O ILE A 77 3.183 -7.977 -2.839 1.00 0.00 O ATOM 1261 CB ILE A 77 2.383 -5.422 -3.979 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.477 -4.948 -3.008 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.593 -4.276 -4.508 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.431 -3.964 -3.595 1.00 0.00 C ATOM 0 H ILE A 77 1.882 -5.433 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 77 0.487 -6.498 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 77 2.878 -5.899 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.003 -4.501 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.037 -5.815 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.265 -3.553 -4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.881 -4.637 -5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.053 -3.798 -3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.170 -3.681 -2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.936 -4.413 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.886 -3.078 -3.919 1.00 0.00 H new ATOM 1276 N LYS A 78 1.731 -8.409 -4.438 1.00 0.00 N ATOM 1277 CA LYS A 78 2.456 -9.468 -4.909 1.00 0.00 C ATOM 1278 C LYS A 78 3.579 -8.805 -5.716 1.00 0.00 C ATOM 1279 O LYS A 78 3.359 -8.013 -6.622 1.00 0.00 O ATOM 1280 CB LYS A 78 1.591 -10.398 -5.745 1.00 0.00 C ATOM 1281 CG LYS A 78 1.041 -9.733 -6.949 1.00 0.00 C ATOM 1282 CD LYS A 78 0.088 -10.612 -7.715 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.531 -9.858 -8.872 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.633 -10.616 -9.488 1.00 0.00 N ATOM 0 H LYS A 78 0.832 -8.263 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 78 2.851 -10.109 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.181 -11.262 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.770 -10.772 -5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.526 -8.819 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.862 -9.438 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.616 -11.489 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.696 -10.972 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.903 -8.895 -8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.233 -9.651 -9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.033 -10.068 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.273 -11.524 -9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.373 -10.791 -8.778 1.00 0.00 H new ATOM 1298 N THR A 79 4.694 -8.996 -5.209 1.00 0.00 N ATOM 1299 CA THR A 79 6.008 -8.529 -5.684 1.00 0.00 C ATOM 1300 C THR A 79 6.137 -8.519 -7.214 1.00 0.00 C ATOM 1301 O THR A 79 6.739 -7.625 -7.788 1.00 0.00 O ATOM 1302 CB THR A 79 7.101 -9.461 -5.105 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.891 -10.809 -5.568 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.034 -9.483 -3.604 1.00 0.00 C ATOM 0 H THR A 79 4.785 -9.539 -4.350 1.00 0.00 H new ATOM 0 HA THR A 79 6.123 -7.499 -5.345 1.00 0.00 H new ATOM 0 HB THR A 79 8.070 -9.084 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.586 -11.393 -5.200 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.809 -10.143 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.188 -8.475 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.056 -9.847 -3.289 1.00 0.00 H new ATOM 1312 N THR A 80 5.533 -9.484 -7.842 1.00 0.00 N ATOM 1313 CA THR A 80 5.554 -9.624 -9.270 1.00 0.00 C ATOM 1314 C THR A 80 4.739 -8.498 -9.982 1.00 0.00 C ATOM 1315 O THR A 80 4.886 -8.294 -11.193 1.00 0.00 O ATOM 1316 CB THR A 80 5.013 -11.026 -9.663 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.122 -11.256 -11.078 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.570 -11.188 -9.203 1.00 0.00 C ATOM 0 H THR A 80 5.000 -10.212 -7.366 1.00 0.00 H new ATOM 0 HA THR A 80 6.587 -9.526 -9.604 1.00 0.00 H new ATOM 0 HB THR A 80 5.627 -11.773 -9.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.193 -10.397 -11.545 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.206 -12.176 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.519 -11.080 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.950 -10.425 -9.673 1.00 0.00 H new ATOM 1326 N ALA A 81 3.910 -7.751 -9.244 1.00 0.00 N ATOM 1327 CA ALA A 81 3.098 -6.730 -9.855 1.00 0.00 C ATOM 1328 C ALA A 81 3.810 -5.391 -9.853 1.00 0.00 C ATOM 1329 O ALA A 81 3.330 -4.425 -10.450 1.00 0.00 O ATOM 1330 CB ALA A 81 1.754 -6.623 -9.154 1.00 0.00 C ATOM 0 H ALA A 81 3.795 -7.844 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 81 2.924 -7.016 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.156 -5.846 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.231 -7.577 -9.222 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.910 -6.369 -8.106 1.00 0.00 H new ATOM 1336 N VAL A 82 4.952 -5.314 -9.191 1.00 0.00 N ATOM 1337 CA VAL A 82 5.697 -4.067 -9.137 1.00 0.00 C ATOM 1338 C VAL A 82 7.158 -4.264 -9.402 1.00 0.00 C ATOM 1339 O VAL A 82 7.701 -5.358 -9.268 1.00 0.00 O ATOM 1340 CB VAL A 82 5.565 -3.318 -7.778 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.156 -2.832 -7.549 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.016 -4.198 -6.621 1.00 0.00 C ATOM 0 H VAL A 82 5.380 -6.091 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 82 5.246 -3.461 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 82 6.219 -2.447 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.101 -2.314 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.873 -2.148 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.474 -3.683 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.913 -3.649 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.399 -5.096 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.059 -4.480 -6.763 1.00 0.00 H new ATOM 1352 N GLU A 83 7.766 -3.213 -9.811 1.00 0.00 N ATOM 1353 CA GLU A 83 9.180 -3.144 -9.930 1.00 0.00 C ATOM 1354 C GLU A 83 9.613 -2.034 -9.034 1.00 0.00 C ATOM 1355 O GLU A 83 9.271 -0.871 -9.285 1.00 0.00 O ATOM 1356 CB GLU A 83 9.628 -2.838 -11.349 1.00 0.00 C ATOM 1357 CG GLU A 83 9.293 -3.899 -12.380 1.00 0.00 C ATOM 1358 CD GLU A 83 10.100 -3.726 -13.645 1.00 0.00 C ATOM 1359 OE1 GLU A 83 9.674 -3.001 -14.558 1.00 0.00 O ATOM 1360 OE2 GLU A 83 11.212 -4.303 -13.729 1.00 0.00 O ATOM 0 H GLU A 83 7.286 -2.354 -10.080 1.00 0.00 H new ATOM 0 HA GLU A 83 9.619 -4.105 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.174 -1.897 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.707 -2.686 -11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.483 -4.887 -11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.230 -3.852 -12.618 1.00 0.00 H new ATOM 1367 N ILE A 84 10.277 -2.353 -7.965 1.00 0.00 N ATOM 1368 CA ILE A 84 10.706 -1.317 -7.074 1.00 0.00 C ATOM 1369 C ILE A 84 11.949 -0.657 -7.607 1.00 0.00 C ATOM 1370 O ILE A 84 12.630 -1.190 -8.490 1.00 0.00 O ATOM 1371 CB ILE A 84 10.971 -1.768 -5.615 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.202 -2.659 -5.522 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.753 -2.479 -5.039 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.735 -2.758 -4.124 1.00 0.00 C ATOM 0 H ILE A 84 10.530 -3.302 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 84 9.866 -0.624 -7.032 1.00 0.00 H new ATOM 0 HB ILE A 84 11.162 -0.872 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.953 -3.657 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.980 -2.268 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.962 -2.787 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.899 -1.802 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.526 -3.358 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.612 -3.405 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.012 -1.765 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 84 11.969 -3.176 -3.471 1.00 0.00 H new ATOM 1386 N ASP A 85 12.234 0.483 -7.094 1.00 0.00 N ATOM 1387 CA ASP A 85 13.432 1.192 -7.451 1.00 0.00 C ATOM 1388 C ASP A 85 14.511 0.687 -6.547 1.00 0.00 C ATOM 1389 O ASP A 85 14.449 0.890 -5.339 1.00 0.00 O ATOM 1390 CB ASP A 85 13.242 2.690 -7.235 1.00 0.00 C ATOM 1391 CG ASP A 85 14.377 3.559 -7.730 1.00 0.00 C ATOM 1392 OD1 ASP A 85 15.521 3.411 -7.273 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.123 4.432 -8.588 1.00 0.00 O ATOM 0 H ASP A 85 11.648 0.963 -6.411 1.00 0.00 H new ATOM 0 HA ASP A 85 13.682 1.033 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.324 3.000 -7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.103 2.873 -6.169 1.00 0.00 H new ATOM 1398 N TYR A 86 15.429 -0.042 -7.095 1.00 0.00 N ATOM 1399 CA TYR A 86 16.540 -0.556 -6.317 1.00 0.00 C ATOM 1400 C TYR A 86 17.533 0.574 -6.203 1.00 0.00 C ATOM 1401 O TYR A 86 17.929 0.978 -5.109 1.00 0.00 O ATOM 1402 CB TYR A 86 17.156 -1.787 -7.005 1.00 0.00 C ATOM 1403 CG TYR A 86 16.154 -2.898 -7.275 1.00 0.00 C ATOM 1404 CD1 TYR A 86 15.867 -3.856 -6.313 1.00 0.00 C ATOM 1405 CD2 TYR A 86 15.481 -2.972 -8.490 1.00 0.00 C ATOM 1406 CE1 TYR A 86 14.944 -4.857 -6.554 1.00 0.00 C ATOM 1407 CE2 TYR A 86 14.553 -3.964 -8.736 1.00 0.00 C ATOM 1408 CZ TYR A 86 14.288 -4.903 -7.767 1.00 0.00 C ATOM 1409 OH TYR A 86 13.349 -5.896 -8.008 1.00 0.00 O ATOM 0 H TYR A 86 15.443 -0.303 -8.081 1.00 0.00 H new ATOM 0 HA TYR A 86 16.221 -0.886 -5.328 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.606 -1.478 -7.948 1.00 0.00 H new ATOM 0 HB3 TYR A 86 17.960 -2.178 -6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.373 -3.819 -5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.688 -2.239 -9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.738 -5.599 -5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.038 -4.002 -9.684 1.00 0.00 H new ATOM 0 HH TYR A 86 12.979 -5.785 -8.909 1.00 0.00 H new ATOM 1419 N ASP A 87 17.867 1.107 -7.347 1.00 0.00 N ATOM 1420 CA ASP A 87 18.647 2.314 -7.502 1.00 0.00 C ATOM 1421 C ASP A 87 18.488 2.686 -8.954 1.00 0.00 C ATOM 1422 O ASP A 87 19.426 2.637 -9.755 1.00 0.00 O ATOM 1423 CB ASP A 87 20.128 2.118 -7.145 1.00 0.00 C ATOM 1424 CG ASP A 87 20.851 3.433 -6.916 1.00 0.00 C ATOM 1425 OD1 ASP A 87 21.414 4.024 -7.862 1.00 0.00 O ATOM 1426 OD2 ASP A 87 20.905 3.893 -5.760 1.00 0.00 O ATOM 0 H ASP A 87 17.592 0.696 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 87 18.300 3.093 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 87 20.204 1.505 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 87 20.622 1.571 -7.948 1.00 0.00 H new ATOM 1431 N SER A 88 17.256 2.937 -9.306 1.00 0.00 N ATOM 1432 CA SER A 88 16.871 3.157 -10.671 1.00 0.00 C ATOM 1433 C SER A 88 16.830 4.655 -10.988 1.00 0.00 C ATOM 1434 O SER A 88 17.581 5.140 -11.838 1.00 0.00 O ATOM 1435 CB SER A 88 15.498 2.512 -10.904 1.00 0.00 C ATOM 1436 OG SER A 88 15.480 1.167 -10.414 1.00 0.00 O ATOM 0 H SER A 88 16.483 2.995 -8.643 1.00 0.00 H new ATOM 0 HA SER A 88 17.605 2.703 -11.337 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.726 3.097 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.263 2.520 -11.968 1.00 0.00 H new ATOM 0 HG SER A 88 14.596 0.774 -10.570 1.00 0.00 H new ATOM 1442 N LEU A 89 15.970 5.371 -10.307 1.00 0.00 N ATOM 1443 CA LEU A 89 15.806 6.804 -10.495 1.00 0.00 C ATOM 1444 C LEU A 89 15.680 7.450 -9.140 1.00 0.00 C ATOM 1445 O LEU A 89 15.047 8.505 -8.985 1.00 0.00 O ATOM 1446 CB LEU A 89 14.534 7.095 -11.315 1.00 0.00 C ATOM 1447 CG LEU A 89 14.520 6.618 -12.770 1.00 0.00 C ATOM 1448 CD1 LEU A 89 13.170 6.904 -13.399 1.00 0.00 C ATOM 1449 CD2 LEU A 89 15.624 7.298 -13.570 1.00 0.00 C ATOM 0 H LEU A 89 15.353 4.977 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 89 16.667 7.201 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.688 6.639 -10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 89 14.367 8.172 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 89 14.698 5.543 -12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.171 6.561 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.392 6.381 -12.844 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.976 7.976 -13.372 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.596 6.945 -14.601 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.474 8.378 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 89 16.592 7.059 -13.130 1.00 0.00 H new ATOM 1461 N LYS A 90 16.299 6.829 -8.154 1.00 0.00 N ATOM 1462 CA LYS A 90 16.197 7.306 -6.799 1.00 0.00 C ATOM 1463 C LYS A 90 16.996 8.580 -6.674 1.00 0.00 C ATOM 1464 O LYS A 90 16.580 9.525 -5.987 1.00 0.00 O ATOM 1465 CB LYS A 90 16.694 6.248 -5.808 1.00 0.00 C ATOM 1466 CG LYS A 90 15.988 6.287 -4.444 1.00 0.00 C ATOM 1467 CD LYS A 90 16.231 7.557 -3.659 1.00 0.00 C ATOM 1468 CE LYS A 90 15.293 7.645 -2.477 1.00 0.00 C ATOM 1469 NZ LYS A 90 13.881 7.695 -2.917 1.00 0.00 N ATOM 0 H LYS A 90 16.875 5.995 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 90 15.153 7.506 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.557 5.260 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.765 6.383 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.916 6.168 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.321 5.436 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.264 7.583 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.090 8.423 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.443 6.784 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.526 8.534 -1.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.304 8.149 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.811 8.243 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.534 6.728 -3.082 1.00 0.00 H new ATOM 1483 N LEU A 91 18.127 8.615 -7.339 1.00 0.00 N ATOM 1484 CA LEU A 91 18.918 9.797 -7.337 1.00 0.00 C ATOM 1485 C LEU A 91 18.262 10.899 -8.158 1.00 0.00 C ATOM 1486 O LEU A 91 18.096 10.803 -9.374 1.00 0.00 O ATOM 1487 CB LEU A 91 20.420 9.528 -7.658 1.00 0.00 C ATOM 1488 CG LEU A 91 20.790 8.682 -8.898 1.00 0.00 C ATOM 1489 CD1 LEU A 91 20.656 9.450 -10.204 1.00 0.00 C ATOM 1490 CD2 LEU A 91 22.187 8.126 -8.745 1.00 0.00 C ATOM 0 H LEU A 91 18.508 7.839 -7.881 1.00 0.00 H new ATOM 0 HA LEU A 91 18.950 10.180 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 91 20.911 10.496 -7.764 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.859 9.041 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 91 20.074 7.862 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 91 20.930 8.802 -11.037 1.00 0.00 H new ATOM 0 HD12 LEU A 91 19.625 9.783 -10.326 1.00 0.00 H new ATOM 0 HD13 LEU A 91 21.317 10.317 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 91 22.440 7.531 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.897 8.947 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 91 22.233 7.498 -7.855 1.00 0.00 H new ATOM 1502 N LYS A 92 17.796 11.885 -7.457 1.00 0.00 N ATOM 1503 CA LYS A 92 17.170 13.022 -8.049 1.00 0.00 C ATOM 1504 C LYS A 92 17.957 14.219 -7.663 1.00 0.00 C ATOM 1505 O LYS A 92 18.536 14.244 -6.562 1.00 0.00 O ATOM 1506 CB LYS A 92 15.726 13.179 -7.562 1.00 0.00 C ATOM 1507 CG LYS A 92 14.796 12.033 -7.933 1.00 0.00 C ATOM 1508 CD LYS A 92 13.370 12.309 -7.473 1.00 0.00 C ATOM 1509 CE LYS A 92 12.812 13.566 -8.129 1.00 0.00 C ATOM 1510 NZ LYS A 92 11.427 13.857 -7.720 1.00 0.00 N ATOM 0 H LYS A 92 17.842 11.921 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 92 17.141 12.900 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.733 13.285 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.319 14.104 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.810 11.885 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 92 15.155 11.109 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 92 12.735 11.457 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 92 13.350 12.422 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.447 14.415 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.850 13.452 -9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.099 14.721 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.812 13.061 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.391 13.994 -6.690 1.00 0.00 H new ATOM 1524 N LYS A 93 18.011 15.183 -8.551 1.00 0.00 N ATOM 1525 CA LYS A 93 18.735 16.415 -8.346 1.00 0.00 C ATOM 1526 C LYS A 93 20.217 16.142 -8.131 1.00 0.00 C ATOM 1527 O LYS A 93 20.705 16.031 -7.004 1.00 0.00 O ATOM 1528 CB LYS A 93 18.136 17.262 -7.201 1.00 0.00 C ATOM 1529 CG LYS A 93 18.876 18.569 -6.935 1.00 0.00 C ATOM 1530 CD LYS A 93 18.247 19.406 -5.819 1.00 0.00 C ATOM 1531 CE LYS A 93 18.430 18.825 -4.402 1.00 0.00 C ATOM 1532 NZ LYS A 93 17.701 17.557 -4.155 1.00 0.00 N ATOM 0 H LYS A 93 17.543 15.132 -9.456 1.00 0.00 H new ATOM 0 HA LYS A 93 18.632 17.009 -9.254 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.096 17.488 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.133 16.667 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.910 18.346 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.899 19.158 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.678 20.407 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.181 19.513 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.493 18.658 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.100 19.566 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.340 17.548 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.905 17.479 -4.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.346 16.753 -4.292 1.00 0.00 H new ATOM 1546 N ASP A 94 20.893 15.910 -9.194 1.00 0.00 N ATOM 1547 CA ASP A 94 22.317 15.746 -9.137 1.00 0.00 C ATOM 1548 C ASP A 94 22.911 16.991 -9.718 1.00 0.00 C ATOM 1549 O ASP A 94 22.752 17.265 -10.907 1.00 0.00 O ATOM 1550 CB ASP A 94 22.767 14.498 -9.893 1.00 0.00 C ATOM 1551 CG ASP A 94 24.242 14.217 -9.725 1.00 0.00 C ATOM 1552 OD1 ASP A 94 24.658 13.752 -8.632 1.00 0.00 O ATOM 1553 OD2 ASP A 94 25.009 14.429 -10.663 1.00 0.00 O ATOM 0 H ASP A 94 20.489 15.827 -10.127 1.00 0.00 H new ATOM 0 HA ASP A 94 22.652 15.603 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 94 22.195 13.639 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 94 22.542 14.619 -10.953 1.00 0.00 H new ATOM 1558 N LEU A 95 23.512 17.778 -8.877 1.00 0.00 N ATOM 1559 CA LEU A 95 23.998 19.074 -9.263 1.00 0.00 C ATOM 1560 C LEU A 95 25.210 18.987 -10.164 1.00 0.00 C ATOM 1561 O LEU A 95 26.311 18.640 -9.732 1.00 0.00 O ATOM 1562 CB LEU A 95 24.279 19.941 -8.034 1.00 0.00 C ATOM 1563 CG LEU A 95 23.082 20.182 -7.101 1.00 0.00 C ATOM 1564 CD1 LEU A 95 23.475 21.080 -5.943 1.00 0.00 C ATOM 1565 CD2 LEU A 95 21.908 20.777 -7.866 1.00 0.00 C ATOM 0 H LEU A 95 23.681 17.541 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 95 23.210 19.553 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 95 25.077 19.474 -7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 95 24.653 20.907 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 95 22.771 19.219 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 95 22.612 21.237 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 95 24.276 20.609 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 95 23.820 22.040 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 95 21.073 20.938 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 95 22.206 21.729 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 95 21.603 20.091 -8.656 1.00 0.00 H new ATOM 1577 N GLU A 96 24.993 19.271 -11.409 1.00 0.00 N ATOM 1578 CA GLU A 96 26.028 19.293 -12.388 1.00 0.00 C ATOM 1579 C GLU A 96 26.028 20.675 -12.987 1.00 0.00 C ATOM 1580 O GLU A 96 25.389 20.891 -14.039 1.00 0.00 O ATOM 1581 CB GLU A 96 25.791 18.222 -13.471 1.00 0.00 C ATOM 1582 CG GLU A 96 25.683 16.809 -12.922 1.00 0.00 C ATOM 1583 CD GLU A 96 25.477 15.770 -13.989 1.00 0.00 C ATOM 1584 OE1 GLU A 96 24.377 15.711 -14.572 1.00 0.00 O ATOM 1585 OE2 GLU A 96 26.400 14.968 -14.252 1.00 0.00 O ATOM 1586 OXT GLU A 96 26.581 21.589 -12.360 1.00 0.00 O ATOM 0 H GLU A 96 24.070 19.499 -11.779 1.00 0.00 H new ATOM 0 HA GLU A 96 26.993 19.066 -11.935 1.00 0.00 H new ATOM 0 HB2 GLU A 96 24.876 18.462 -14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.608 18.260 -14.192 1.00 0.00 H new ATOM 0 HG2 GLU A 96 26.590 16.573 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 96 24.854 16.764 -12.216 1.00 0.00 H new TER 1593 GLU A 96