USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 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 Set 1.1: A 29 HIS : no HD1:sc= -0.843 K(o=-0.098,f=-0.77!) USER MOD Set 1.2: A 88 SER OG : rot 19:sc= 0.745 USER MOD Single : A 1 GLU N :NH3+ -168:sc= 0.849 (180deg=0.407) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0196) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00854 (180deg=-0.167) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 163:sc= 2.41 (180deg=1.11) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0286 X(o=-0.029,f=-0.029) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -0.0456 (180deg=-0.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -1.31! (180deg=-2.43!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 88:sc= 1.18 USER MOD Single : A 35 CYS SG : rot 180:sc=-0.00764 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0127 (180deg=-0.144) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 1.15 (180deg=1.12) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -172:sc= 0.241 (180deg=0.0733) USER MOD Single : A 48 GLN : amide:sc= 0.309 K(o=0.31,f=-0.31) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.122 K(o=-0.12,f=-3.8!) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 2.74 (180deg=2.61) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.00269 (180deg=-0.668!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 80 THR OG1 : rot -19:sc= 0.0642 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.253 (180deg=-0.901) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -28.253 8.054 -6.324 1.00 0.00 N ATOM 2 CA GLU A 1 -28.478 9.393 -5.799 1.00 0.00 C ATOM 3 C GLU A 1 -27.178 9.983 -5.248 1.00 0.00 C ATOM 4 O GLU A 1 -26.601 10.897 -5.840 1.00 0.00 O ATOM 5 CB GLU A 1 -29.590 9.429 -4.719 1.00 0.00 C ATOM 6 CG GLU A 1 -30.997 9.020 -5.182 1.00 0.00 C ATOM 7 CD GLU A 1 -31.136 7.549 -5.497 1.00 0.00 C ATOM 8 OE1 GLU A 1 -30.731 7.128 -6.591 1.00 0.00 O ATOM 9 OE2 GLU A 1 -31.641 6.792 -4.652 1.00 0.00 O ATOM 0 H1 GLU A 1 -29.084 7.751 -6.871 1.00 0.00 H new ATOM 0 H2 GLU A 1 -27.416 8.059 -6.941 1.00 0.00 H new ATOM 0 H3 GLU A 1 -28.098 7.394 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 1 -28.822 10.005 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -29.294 8.773 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -29.642 10.440 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -31.715 9.284 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -31.259 9.597 -6.069 1.00 0.00 H new ATOM 18 N LYS A 2 -26.710 9.450 -4.126 1.00 0.00 N ATOM 19 CA LYS A 2 -25.514 9.961 -3.454 1.00 0.00 C ATOM 20 C LYS A 2 -24.255 9.248 -3.927 1.00 0.00 C ATOM 21 O LYS A 2 -23.186 9.863 -4.005 1.00 0.00 O ATOM 22 CB LYS A 2 -25.650 9.727 -1.946 1.00 0.00 C ATOM 23 CG LYS A 2 -24.497 10.252 -1.099 1.00 0.00 C ATOM 24 CD LYS A 2 -24.577 9.725 0.329 1.00 0.00 C ATOM 25 CE LYS A 2 -25.855 10.148 1.052 1.00 0.00 C ATOM 26 NZ LYS A 2 -25.945 11.608 1.237 1.00 0.00 N ATOM 0 H LYS A 2 -27.144 8.656 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 2 -25.428 11.022 -3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -26.573 10.195 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.751 8.656 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -23.549 9.954 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.517 11.342 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -24.519 8.637 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -23.714 10.082 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -26.720 9.803 0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -25.896 9.659 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -26.804 11.837 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -25.110 11.944 1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -25.985 12.074 0.308 1.00 0.00 H new ATOM 40 N LYS A 3 -24.406 7.957 -4.248 1.00 0.00 N ATOM 41 CA LYS A 3 -23.297 7.048 -4.529 1.00 0.00 C ATOM 42 C LYS A 3 -22.557 6.811 -3.219 1.00 0.00 C ATOM 43 O LYS A 3 -21.629 7.542 -2.849 1.00 0.00 O ATOM 44 CB LYS A 3 -22.360 7.568 -5.647 1.00 0.00 C ATOM 45 CG LYS A 3 -21.234 6.615 -6.033 1.00 0.00 C ATOM 46 CD LYS A 3 -20.328 7.234 -7.092 1.00 0.00 C ATOM 47 CE LYS A 3 -21.104 7.591 -8.353 1.00 0.00 C ATOM 48 NZ LYS A 3 -20.238 8.203 -9.379 1.00 0.00 N ATOM 0 H LYS A 3 -25.320 7.511 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.686 6.107 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.958 7.779 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.923 8.513 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.647 6.364 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.656 5.683 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.855 8.130 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.529 6.536 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.569 6.693 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -21.910 8.280 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.805 8.431 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.814 9.074 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.484 7.536 -9.640 1.00 0.00 H new ATOM 62 N GLU A 4 -23.027 5.840 -2.487 1.00 0.00 N ATOM 63 CA GLU A 4 -22.544 5.575 -1.155 1.00 0.00 C ATOM 64 C GLU A 4 -21.302 4.720 -1.215 1.00 0.00 C ATOM 65 O GLU A 4 -21.366 3.545 -1.597 1.00 0.00 O ATOM 66 CB GLU A 4 -23.598 4.846 -0.282 1.00 0.00 C ATOM 67 CG GLU A 4 -25.029 5.400 -0.314 1.00 0.00 C ATOM 68 CD GLU A 4 -25.761 5.037 -1.591 1.00 0.00 C ATOM 69 OE1 GLU A 4 -25.941 3.824 -1.861 1.00 0.00 O ATOM 70 OE2 GLU A 4 -26.113 5.932 -2.373 1.00 0.00 O ATOM 0 H GLU A 4 -23.761 5.204 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 4 -22.327 6.542 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -23.632 3.802 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.251 4.861 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.584 5.015 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.998 6.485 -0.212 1.00 0.00 H new ATOM 77 N GLN A 5 -20.181 5.285 -0.901 1.00 0.00 N ATOM 78 CA GLN A 5 -18.973 4.525 -0.838 1.00 0.00 C ATOM 79 C GLN A 5 -18.477 4.530 0.584 1.00 0.00 C ATOM 80 O GLN A 5 -18.353 5.590 1.207 1.00 0.00 O ATOM 81 CB GLN A 5 -17.912 5.042 -1.793 1.00 0.00 C ATOM 82 CG GLN A 5 -18.304 5.001 -3.259 1.00 0.00 C ATOM 83 CD GLN A 5 -17.146 5.370 -4.151 1.00 0.00 C ATOM 84 OE1 GLN A 5 -16.379 4.505 -4.570 1.00 0.00 O ATOM 85 NE2 GLN A 5 -16.995 6.630 -4.440 1.00 0.00 N ATOM 0 H GLN A 5 -20.076 6.276 -0.683 1.00 0.00 H new ATOM 0 HA GLN A 5 -19.186 3.504 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -17.671 6.070 -1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.003 4.455 -1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.657 4.002 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -19.133 5.687 -3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -17.652 7.319 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.220 6.928 -5.033 1.00 0.00 H new ATOM 94 N LYS A 6 -18.202 3.373 1.089 1.00 0.00 N ATOM 95 CA LYS A 6 -17.844 3.190 2.472 1.00 0.00 C ATOM 96 C LYS A 6 -16.326 3.153 2.616 1.00 0.00 C ATOM 97 O LYS A 6 -15.768 3.599 3.620 1.00 0.00 O ATOM 98 CB LYS A 6 -18.462 1.873 2.961 1.00 0.00 C ATOM 99 CG LYS A 6 -18.387 1.644 4.455 1.00 0.00 C ATOM 100 CD LYS A 6 -18.955 0.286 4.827 1.00 0.00 C ATOM 101 CE LYS A 6 -18.996 0.095 6.331 1.00 0.00 C ATOM 102 NZ LYS A 6 -19.981 0.992 6.979 1.00 0.00 N ATOM 0 H LYS A 6 -18.218 2.508 0.549 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.221 4.018 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.508 1.846 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.962 1.046 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.350 1.711 4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.939 2.427 4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.961 0.187 4.419 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.349 -0.499 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.246 -0.941 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.006 0.283 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.126 0.694 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.625 1.969 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.885 0.943 6.467 1.00 0.00 H new ATOM 116 N GLU A 7 -15.664 2.682 1.575 1.00 0.00 N ATOM 117 CA GLU A 7 -14.219 2.473 1.592 1.00 0.00 C ATOM 118 C GLU A 7 -13.426 3.721 1.168 1.00 0.00 C ATOM 119 O GLU A 7 -12.270 3.606 0.729 1.00 0.00 O ATOM 120 CB GLU A 7 -13.857 1.311 0.660 1.00 0.00 C ATOM 121 CG GLU A 7 -14.569 0.006 0.976 1.00 0.00 C ATOM 122 CD GLU A 7 -14.386 -0.430 2.404 1.00 0.00 C ATOM 123 OE1 GLU A 7 -13.309 -0.968 2.760 1.00 0.00 O ATOM 124 OE2 GLU A 7 -15.320 -0.273 3.199 1.00 0.00 O ATOM 0 H GLU A 7 -16.109 2.432 0.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.945 2.247 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.089 1.598 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.781 1.144 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.633 0.119 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.197 -0.775 0.313 1.00 0.00 H new ATOM 131 N LYS A 8 -14.004 4.894 1.322 1.00 0.00 N ATOM 132 CA LYS A 8 -13.317 6.120 0.929 1.00 0.00 C ATOM 133 C LYS A 8 -12.326 6.554 2.002 1.00 0.00 C ATOM 134 O LYS A 8 -11.115 6.355 1.853 1.00 0.00 O ATOM 135 CB LYS A 8 -14.292 7.243 0.599 1.00 0.00 C ATOM 136 CG LYS A 8 -15.250 6.917 -0.530 1.00 0.00 C ATOM 137 CD LYS A 8 -16.226 8.059 -0.797 1.00 0.00 C ATOM 138 CE LYS A 8 -17.000 8.421 0.460 1.00 0.00 C ATOM 139 NZ LYS A 8 -18.021 9.449 0.217 1.00 0.00 N ATOM 0 H LYS A 8 -14.937 5.031 1.711 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.762 5.901 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.868 7.484 1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.726 8.136 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.683 6.704 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.807 6.013 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.680 8.932 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.921 7.771 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.478 7.526 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.305 8.777 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.520 9.660 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.565 10.314 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.702 9.102 -0.489 1.00 0.00 H new ATOM 153 N GLU A 9 -12.813 7.105 3.085 1.00 0.00 N ATOM 154 CA GLU A 9 -11.943 7.524 4.151 1.00 0.00 C ATOM 155 C GLU A 9 -12.230 6.712 5.400 1.00 0.00 C ATOM 156 O GLU A 9 -13.228 6.927 6.097 1.00 0.00 O ATOM 157 CB GLU A 9 -12.063 9.023 4.423 1.00 0.00 C ATOM 158 CG GLU A 9 -11.052 9.533 5.436 1.00 0.00 C ATOM 159 CD GLU A 9 -11.164 11.008 5.675 1.00 0.00 C ATOM 160 OE1 GLU A 9 -10.527 11.797 4.938 1.00 0.00 O ATOM 161 OE2 GLU A 9 -11.871 11.416 6.614 1.00 0.00 O ATOM 0 H GLU A 9 -13.805 7.273 3.250 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.913 7.342 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.935 9.566 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.069 9.241 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.191 9.005 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.046 9.301 5.087 1.00 0.00 H new ATOM 168 N LYS A 10 -11.395 5.740 5.626 1.00 0.00 N ATOM 169 CA LYS A 10 -11.497 4.856 6.777 1.00 0.00 C ATOM 170 C LYS A 10 -10.111 4.432 7.259 1.00 0.00 C ATOM 171 O LYS A 10 -9.957 3.992 8.411 1.00 0.00 O ATOM 172 CB LYS A 10 -12.344 3.615 6.430 1.00 0.00 C ATOM 173 CG LYS A 10 -11.966 2.972 5.100 1.00 0.00 C ATOM 174 CD LYS A 10 -12.666 1.648 4.859 1.00 0.00 C ATOM 175 CE LYS A 10 -12.112 0.550 5.749 1.00 0.00 C ATOM 176 NZ LYS A 10 -12.655 -0.769 5.391 1.00 0.00 N ATOM 0 H LYS A 10 -10.608 5.526 5.013 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.989 5.402 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.235 2.877 7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.396 3.900 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.210 3.658 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.888 2.816 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.734 1.762 5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.552 1.361 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.025 0.530 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.350 0.771 6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.060 -1.514 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.624 -0.856 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.665 -0.871 4.356 1.00 0.00 H new ATOM 190 N LYS A 11 -9.115 4.564 6.368 1.00 0.00 N ATOM 191 CA LYS A 11 -7.723 4.171 6.606 1.00 0.00 C ATOM 192 C LYS A 11 -7.572 2.649 6.556 1.00 0.00 C ATOM 193 O LYS A 11 -8.522 1.892 6.811 1.00 0.00 O ATOM 194 CB LYS A 11 -7.129 4.762 7.916 1.00 0.00 C ATOM 195 CG LYS A 11 -5.657 4.415 8.147 1.00 0.00 C ATOM 196 CD LYS A 11 -5.114 4.983 9.441 1.00 0.00 C ATOM 197 CE LYS A 11 -5.134 6.497 9.451 1.00 0.00 C ATOM 198 NZ LYS A 11 -4.488 7.042 10.662 1.00 0.00 N ATOM 0 H LYS A 11 -9.263 4.958 5.439 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.136 4.604 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.236 5.846 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.713 4.401 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.541 3.331 8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.065 4.793 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.704 4.608 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.092 4.633 9.589 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.623 6.874 8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.165 6.848 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.520 8.081 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.991 6.702 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.497 6.727 10.699 1.00 0.00 H new ATOM 212 N GLU A 12 -6.411 2.214 6.168 1.00 0.00 N ATOM 213 CA GLU A 12 -6.082 0.827 6.091 1.00 0.00 C ATOM 214 C GLU A 12 -5.865 0.252 7.497 1.00 0.00 C ATOM 215 O GLU A 12 -4.770 0.363 8.072 1.00 0.00 O ATOM 216 CB GLU A 12 -4.824 0.657 5.242 1.00 0.00 C ATOM 217 CG GLU A 12 -4.948 1.194 3.825 1.00 0.00 C ATOM 218 CD GLU A 12 -5.909 0.411 2.971 1.00 0.00 C ATOM 219 OE1 GLU A 12 -7.126 0.492 3.193 1.00 0.00 O ATOM 220 OE2 GLU A 12 -5.457 -0.287 2.046 1.00 0.00 O ATOM 0 H GLU A 12 -5.649 2.832 5.890 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.905 0.283 5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.994 1.161 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.571 -0.402 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.273 2.234 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.965 1.186 3.354 1.00 0.00 H new ATOM 227 N GLN A 13 -6.924 -0.274 8.074 1.00 0.00 N ATOM 228 CA GLN A 13 -6.863 -0.898 9.384 1.00 0.00 C ATOM 229 C GLN A 13 -6.580 -2.363 9.220 1.00 0.00 C ATOM 230 O GLN A 13 -5.869 -2.985 9.999 1.00 0.00 O ATOM 231 CB GLN A 13 -8.181 -0.733 10.138 1.00 0.00 C ATOM 232 CG GLN A 13 -8.604 0.696 10.414 1.00 0.00 C ATOM 233 CD GLN A 13 -7.623 1.466 11.274 1.00 0.00 C ATOM 234 OE1 GLN A 13 -6.724 2.138 10.778 1.00 0.00 O ATOM 235 NE2 GLN A 13 -7.760 1.353 12.560 1.00 0.00 N ATOM 0 H GLN A 13 -7.852 -0.283 7.651 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.071 -0.414 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.970 -1.222 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.103 -1.260 11.089 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.730 1.218 9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.577 0.689 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.517 0.788 12.945 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.111 1.830 13.186 1.00 0.00 H new ATOM 244 N GLU A 14 -7.119 -2.889 8.173 1.00 0.00 N ATOM 245 CA GLU A 14 -7.089 -4.297 7.862 1.00 0.00 C ATOM 246 C GLU A 14 -5.705 -4.772 7.460 1.00 0.00 C ATOM 247 O GLU A 14 -5.444 -5.956 7.413 1.00 0.00 O ATOM 248 CB GLU A 14 -8.109 -4.636 6.759 1.00 0.00 C ATOM 249 CG GLU A 14 -9.524 -4.103 7.009 1.00 0.00 C ATOM 250 CD GLU A 14 -9.762 -2.706 6.446 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.037 -1.750 6.798 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.643 -2.563 5.578 1.00 0.00 O ATOM 0 H GLU A 14 -7.616 -2.335 7.475 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.362 -4.826 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.747 -4.235 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.158 -5.719 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.245 -4.791 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.713 -4.089 8.082 1.00 0.00 H new ATOM 259 N ILE A 15 -4.817 -3.843 7.213 1.00 0.00 N ATOM 260 CA ILE A 15 -3.477 -4.163 6.771 1.00 0.00 C ATOM 261 C ILE A 15 -2.570 -4.382 7.969 1.00 0.00 C ATOM 262 O ILE A 15 -1.578 -5.130 7.892 1.00 0.00 O ATOM 263 CB ILE A 15 -2.933 -3.011 5.863 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.741 -1.689 6.639 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.892 -2.786 4.720 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.340 -1.443 7.175 1.00 0.00 C ATOM 0 H ILE A 15 -4.999 -2.844 7.311 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.498 -5.084 6.189 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.955 -3.317 5.493 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.011 -0.861 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.439 -1.674 7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.518 -1.984 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.982 -3.701 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.870 -2.510 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.314 -0.489 7.702 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.067 -2.245 7.861 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.632 -1.418 6.346 1.00 0.00 H new ATOM 278 N LYS A 16 -2.998 -3.792 9.078 1.00 0.00 N ATOM 279 CA LYS A 16 -2.254 -3.681 10.329 1.00 0.00 C ATOM 280 C LYS A 16 -1.647 -5.001 10.769 1.00 0.00 C ATOM 281 O LYS A 16 -0.417 -5.161 10.849 1.00 0.00 O ATOM 282 CB LYS A 16 -3.193 -3.173 11.413 1.00 0.00 C ATOM 283 CG LYS A 16 -2.557 -2.259 12.413 1.00 0.00 C ATOM 284 CD LYS A 16 -2.170 -0.958 11.756 1.00 0.00 C ATOM 285 CE LYS A 16 -1.560 -0.001 12.753 1.00 0.00 C ATOM 286 NZ LYS A 16 -1.154 1.265 12.120 1.00 0.00 N ATOM 0 H LYS A 16 -3.919 -3.356 9.133 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.430 -2.987 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.024 -2.650 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.615 -4.029 11.940 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.248 -2.069 13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.675 -2.735 12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.460 -1.151 10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.049 -0.502 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.279 0.204 13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.693 -0.468 13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.740 1.895 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.449 1.073 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.986 1.723 11.696 1.00 0.00 H new ATOM 300 N LYS A 17 -2.498 -5.942 11.008 1.00 0.00 N ATOM 301 CA LYS A 17 -2.082 -7.239 11.477 1.00 0.00 C ATOM 302 C LYS A 17 -2.170 -8.250 10.332 1.00 0.00 C ATOM 303 O LYS A 17 -2.049 -9.463 10.526 1.00 0.00 O ATOM 304 CB LYS A 17 -2.957 -7.660 12.677 1.00 0.00 C ATOM 305 CG LYS A 17 -2.429 -8.861 13.450 1.00 0.00 C ATOM 306 CD LYS A 17 -3.319 -9.213 14.623 1.00 0.00 C ATOM 307 CE LYS A 17 -2.740 -10.365 15.423 1.00 0.00 C ATOM 308 NZ LYS A 17 -1.431 -10.019 16.031 1.00 0.00 N ATOM 0 H LYS A 17 -3.506 -5.842 10.886 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.046 -7.201 11.813 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.047 -6.815 13.360 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.960 -7.887 12.317 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.354 -9.719 12.781 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.422 -8.647 13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.437 -8.342 15.268 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.312 -9.480 14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.441 -10.649 16.208 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.620 -11.233 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.200 -10.709 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.692 -10.038 15.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.482 -9.067 16.447 1.00 0.00 H new ATOM 322 N LYS A 18 -2.356 -7.753 9.130 1.00 0.00 N ATOM 323 CA LYS A 18 -2.450 -8.625 7.981 1.00 0.00 C ATOM 324 C LYS A 18 -1.049 -8.924 7.499 1.00 0.00 C ATOM 325 O LYS A 18 -0.678 -10.073 7.293 1.00 0.00 O ATOM 326 CB LYS A 18 -3.234 -7.968 6.860 1.00 0.00 C ATOM 327 CG LYS A 18 -3.735 -8.934 5.792 1.00 0.00 C ATOM 328 CD LYS A 18 -4.843 -9.830 6.333 1.00 0.00 C ATOM 329 CE LYS A 18 -6.050 -9.003 6.782 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.133 -9.844 7.336 1.00 0.00 N ATOM 0 H LYS A 18 -2.445 -6.758 8.923 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.969 -9.540 8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.089 -7.445 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.605 -7.215 6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.105 -8.372 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.908 -9.549 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.150 -10.539 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.466 -10.414 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.733 -8.281 7.534 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.433 -8.434 5.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.928 -9.240 7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.456 -10.516 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.778 -10.368 8.161 1.00 0.00 H new ATOM 344 N PHE A 19 -0.272 -7.874 7.313 1.00 0.00 N ATOM 345 CA PHE A 19 1.104 -8.032 6.913 1.00 0.00 C ATOM 346 C PHE A 19 1.938 -8.131 8.183 1.00 0.00 C ATOM 347 O PHE A 19 2.948 -8.841 8.234 1.00 0.00 O ATOM 348 CB PHE A 19 1.536 -6.825 6.064 1.00 0.00 C ATOM 349 CG PHE A 19 2.846 -6.985 5.334 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.051 -6.824 5.985 1.00 0.00 C ATOM 351 CD2 PHE A 19 2.864 -7.261 3.982 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.241 -6.931 5.314 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.058 -7.376 3.308 1.00 0.00 C ATOM 354 CZ PHE A 19 5.251 -7.203 3.975 1.00 0.00 C ATOM 0 H PHE A 19 -0.573 -6.907 7.433 1.00 0.00 H new ATOM 0 HA PHE A 19 1.240 -8.929 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.755 -6.618 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.605 -5.952 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.057 -6.610 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.933 -7.388 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.173 -6.800 5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.060 -7.603 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.188 -7.282 3.443 1.00 0.00 H new ATOM 364 N LYS A 20 1.416 -7.474 9.233 1.00 0.00 N ATOM 365 CA LYS A 20 2.030 -7.362 10.561 1.00 0.00 C ATOM 366 C LYS A 20 3.162 -6.393 10.521 1.00 0.00 C ATOM 367 O LYS A 20 4.305 -6.746 10.223 1.00 0.00 O ATOM 368 CB LYS A 20 2.497 -8.692 11.140 1.00 0.00 C ATOM 369 CG LYS A 20 1.437 -9.764 11.255 1.00 0.00 C ATOM 370 CD LYS A 20 2.055 -11.121 11.604 1.00 0.00 C ATOM 371 CE LYS A 20 2.817 -11.772 10.420 1.00 0.00 C ATOM 372 NZ LYS A 20 3.952 -10.961 9.892 1.00 0.00 N ATOM 0 H LYS A 20 0.521 -6.989 9.174 1.00 0.00 H new ATOM 0 HA LYS A 20 1.247 -7.001 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.308 -9.073 10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.913 -8.510 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.714 -9.483 12.021 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.891 -9.841 10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.740 -10.995 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.267 -11.797 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.198 -12.742 10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.112 -11.958 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.592 -11.573 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.584 -10.209 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.473 -10.535 10.685 1.00 0.00 H new ATOM 386 N LEU A 21 2.836 -5.163 10.738 1.00 0.00 N ATOM 387 CA LEU A 21 3.828 -4.144 10.708 1.00 0.00 C ATOM 388 C LEU A 21 4.206 -3.826 12.104 1.00 0.00 C ATOM 389 O LEU A 21 5.278 -4.187 12.584 1.00 0.00 O ATOM 390 CB LEU A 21 3.280 -2.899 10.027 1.00 0.00 C ATOM 391 CG LEU A 21 2.838 -3.036 8.552 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.767 -3.949 7.808 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.384 -3.515 8.402 1.00 0.00 C ATOM 0 H LEU A 21 1.889 -4.840 10.938 1.00 0.00 H new ATOM 0 HA LEU A 21 4.698 -4.487 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.425 -2.547 10.604 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.042 -2.122 10.080 1.00 0.00 H new ATOM 0 HG LEU A 21 2.886 -2.037 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.441 -4.034 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.778 -3.543 7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.758 -4.935 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.133 -3.591 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.272 -4.492 8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.715 -2.802 8.883 1.00 0.00 H new ATOM 405 N THR A 22 3.255 -3.212 12.753 1.00 0.00 N ATOM 406 CA THR A 22 3.265 -2.892 14.127 1.00 0.00 C ATOM 407 C THR A 22 4.509 -2.087 14.581 1.00 0.00 C ATOM 408 O THR A 22 5.516 -2.656 15.042 1.00 0.00 O ATOM 409 CB THR A 22 3.084 -4.155 14.941 1.00 0.00 C ATOM 410 OG1 THR A 22 2.165 -5.025 14.232 1.00 0.00 O ATOM 411 CG2 THR A 22 2.451 -3.782 16.208 1.00 0.00 C ATOM 0 H THR A 22 2.399 -2.907 12.289 1.00 0.00 H new ATOM 0 HA THR A 22 2.426 -2.219 14.305 1.00 0.00 H new ATOM 0 HB THR A 22 4.041 -4.650 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.036 -5.851 14.743 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.307 -4.673 16.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.090 -3.077 16.740 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.485 -3.318 16.009 1.00 0.00 H new ATOM 419 N GLY A 23 4.442 -0.787 14.410 1.00 0.00 N ATOM 420 CA GLY A 23 5.518 0.063 14.829 1.00 0.00 C ATOM 421 C GLY A 23 5.877 1.092 13.779 1.00 0.00 C ATOM 422 O GLY A 23 4.980 1.620 13.087 1.00 0.00 O ATOM 0 H GLY A 23 3.653 -0.301 13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.239 0.571 15.752 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.394 -0.546 15.052 1.00 0.00 H new ATOM 426 N PRO A 24 7.175 1.410 13.638 1.00 0.00 N ATOM 427 CA PRO A 24 7.663 2.380 12.673 1.00 0.00 C ATOM 428 C PRO A 24 7.486 1.886 11.259 1.00 0.00 C ATOM 429 O PRO A 24 7.885 0.763 10.913 1.00 0.00 O ATOM 430 CB PRO A 24 9.158 2.516 12.995 1.00 0.00 C ATOM 431 CG PRO A 24 9.321 1.890 14.329 1.00 0.00 C ATOM 432 CD PRO A 24 8.266 0.841 14.415 1.00 0.00 C ATOM 0 HA PRO A 24 7.121 3.324 12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.770 2.014 12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.465 3.562 13.009 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.315 1.456 14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.206 2.627 15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.605 -0.108 14.000 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.970 0.650 15.446 1.00 0.00 H new ATOM 440 N ILE A 25 6.880 2.694 10.464 1.00 0.00 N ATOM 441 CA ILE A 25 6.639 2.370 9.091 1.00 0.00 C ATOM 442 C ILE A 25 6.961 3.598 8.230 1.00 0.00 C ATOM 443 O ILE A 25 6.511 4.712 8.524 1.00 0.00 O ATOM 444 CB ILE A 25 5.161 1.872 8.876 1.00 0.00 C ATOM 445 CG1 ILE A 25 4.944 1.334 7.462 1.00 0.00 C ATOM 446 CG2 ILE A 25 4.118 2.935 9.224 1.00 0.00 C ATOM 447 CD1 ILE A 25 5.730 0.071 7.174 1.00 0.00 C ATOM 0 H ILE A 25 6.531 3.610 10.745 1.00 0.00 H new ATOM 0 HA ILE A 25 7.287 1.548 8.788 1.00 0.00 H new ATOM 0 HB ILE A 25 5.018 1.049 9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.882 1.134 7.316 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.226 2.102 6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.119 2.533 9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.223 3.219 10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.268 3.812 8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.530 -0.257 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.795 0.271 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.431 -0.711 7.872 1.00 0.00 H new ATOM 459 N GLN A 26 7.785 3.423 7.237 1.00 0.00 N ATOM 460 CA GLN A 26 8.173 4.509 6.365 1.00 0.00 C ATOM 461 C GLN A 26 8.414 3.938 4.989 1.00 0.00 C ATOM 462 O GLN A 26 8.585 2.717 4.855 1.00 0.00 O ATOM 463 CB GLN A 26 9.457 5.190 6.877 1.00 0.00 C ATOM 464 CG GLN A 26 10.716 4.331 6.772 1.00 0.00 C ATOM 465 CD GLN A 26 11.964 5.040 7.268 1.00 0.00 C ATOM 466 OE1 GLN A 26 11.904 5.875 8.165 1.00 0.00 O ATOM 467 NE2 GLN A 26 13.088 4.753 6.666 1.00 0.00 N ATOM 0 H GLN A 26 8.210 2.526 7.004 1.00 0.00 H new ATOM 0 HA GLN A 26 7.383 5.259 6.339 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.613 6.111 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.312 5.473 7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.573 3.416 7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.862 4.036 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.105 4.054 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.948 5.228 6.939 1.00 0.00 H new ATOM 476 N VAL A 27 8.426 4.780 3.973 1.00 0.00 N ATOM 477 CA VAL A 27 8.687 4.299 2.633 1.00 0.00 C ATOM 478 C VAL A 27 10.162 4.041 2.474 1.00 0.00 C ATOM 479 O VAL A 27 10.999 4.834 2.906 1.00 0.00 O ATOM 480 CB VAL A 27 8.184 5.239 1.491 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.808 6.597 1.562 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.504 4.644 0.150 1.00 0.00 C ATOM 0 H VAL A 27 8.261 5.784 4.048 1.00 0.00 H new ATOM 0 HA VAL A 27 8.112 3.380 2.525 1.00 0.00 H new ATOM 0 HB VAL A 27 7.107 5.341 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.428 7.215 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.561 7.062 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.890 6.505 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.148 5.309 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.582 4.516 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.014 3.675 0.056 1.00 0.00 H new ATOM 492 N ILE A 28 10.472 2.939 1.907 1.00 0.00 N ATOM 493 CA ILE A 28 11.816 2.557 1.697 1.00 0.00 C ATOM 494 C ILE A 28 12.245 2.845 0.260 1.00 0.00 C ATOM 495 O ILE A 28 13.370 3.283 0.017 1.00 0.00 O ATOM 496 CB ILE A 28 11.992 1.073 2.077 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.683 0.919 3.579 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.391 0.571 1.745 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.777 -0.482 4.103 1.00 0.00 C ATOM 0 H ILE A 28 9.787 2.263 1.569 1.00 0.00 H new ATOM 0 HA ILE A 28 12.469 3.148 2.338 1.00 0.00 H new ATOM 0 HB ILE A 28 11.302 0.464 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.371 1.549 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.678 1.295 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.477 -0.478 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.571 0.675 0.675 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.128 1.156 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.543 -0.489 5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.069 -1.118 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.788 -0.860 3.952 1.00 0.00 H new ATOM 511 N HIS A 29 11.327 2.693 -0.677 1.00 0.00 N ATOM 512 CA HIS A 29 11.636 2.851 -2.114 1.00 0.00 C ATOM 513 C HIS A 29 10.380 3.124 -2.867 1.00 0.00 C ATOM 514 O HIS A 29 9.285 2.861 -2.366 1.00 0.00 O ATOM 515 CB HIS A 29 12.289 1.589 -2.745 1.00 0.00 C ATOM 516 CG HIS A 29 13.704 1.299 -2.324 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.067 0.162 -1.654 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.842 2.010 -2.477 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.356 0.186 -1.407 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.849 1.295 -1.896 1.00 0.00 N ATOM 0 H HIS A 29 10.353 2.459 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 29 12.345 3.676 -2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.673 0.724 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.268 1.697 -3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.938 2.967 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.914 -0.579 -0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.828 1.579 -1.850 1.00 0.00 H new ATOM 529 N LEU A 30 10.516 3.615 -4.056 1.00 0.00 N ATOM 530 CA LEU A 30 9.372 3.873 -4.880 1.00 0.00 C ATOM 531 C LEU A 30 9.265 2.791 -5.919 1.00 0.00 C ATOM 532 O LEU A 30 10.159 2.602 -6.727 1.00 0.00 O ATOM 533 CB LEU A 30 9.421 5.271 -5.554 1.00 0.00 C ATOM 534 CG LEU A 30 9.252 6.520 -4.648 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.425 6.717 -3.691 1.00 0.00 C ATOM 536 CD2 LEU A 30 9.043 7.762 -5.497 1.00 0.00 C ATOM 0 H LEU A 30 11.412 3.848 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 30 8.490 3.872 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.376 5.360 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.642 5.303 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 30 8.369 6.350 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.253 7.605 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.517 5.845 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.344 6.842 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.926 8.630 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.906 7.908 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.147 7.640 -6.106 1.00 0.00 H new ATOM 548 N ALA A 31 8.222 2.054 -5.859 1.00 0.00 N ATOM 549 CA ALA A 31 7.984 1.017 -6.818 1.00 0.00 C ATOM 550 C ALA A 31 7.130 1.495 -7.947 1.00 0.00 C ATOM 551 O ALA A 31 6.374 2.452 -7.837 1.00 0.00 O ATOM 552 CB ALA A 31 7.385 -0.237 -6.203 1.00 0.00 C ATOM 0 H ALA A 31 7.499 2.144 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 31 8.965 0.749 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.229 -0.985 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.066 -0.634 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.430 0.007 -5.737 1.00 0.00 H new ATOM 558 N LYS A 32 7.279 0.844 -9.022 1.00 0.00 N ATOM 559 CA LYS A 32 6.542 1.104 -10.190 1.00 0.00 C ATOM 560 C LYS A 32 5.544 -0.002 -10.366 1.00 0.00 C ATOM 561 O LYS A 32 5.920 -1.181 -10.305 1.00 0.00 O ATOM 562 CB LYS A 32 7.499 1.166 -11.378 1.00 0.00 C ATOM 563 CG LYS A 32 6.836 1.291 -12.738 1.00 0.00 C ATOM 564 CD LYS A 32 7.858 1.395 -13.847 1.00 0.00 C ATOM 565 CE LYS A 32 8.774 0.177 -13.900 1.00 0.00 C ATOM 566 NZ LYS A 32 9.722 0.278 -15.020 1.00 0.00 N ATOM 0 H LYS A 32 7.947 0.080 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 32 6.017 2.057 -10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.170 2.014 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.116 0.268 -11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.196 0.426 -12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.193 2.171 -12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.345 1.504 -14.803 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.458 2.293 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.322 0.089 -12.962 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.176 -0.728 -14.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.334 -0.563 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.196 0.339 -15.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.307 1.130 -14.904 1.00 0.00 H new ATOM 580 N ALA A 33 4.285 0.349 -10.513 1.00 0.00 N ATOM 581 CA ALA A 33 3.292 -0.632 -10.812 1.00 0.00 C ATOM 582 C ALA A 33 3.576 -1.198 -12.183 1.00 0.00 C ATOM 583 O ALA A 33 3.447 -0.494 -13.204 1.00 0.00 O ATOM 584 CB ALA A 33 1.925 -0.034 -10.786 1.00 0.00 C ATOM 0 H ALA A 33 3.936 1.304 -10.429 1.00 0.00 H new ATOM 0 HA ALA A 33 3.328 -1.420 -10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.187 -0.802 -11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.725 0.375 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.863 0.763 -11.527 1.00 0.00 H new ATOM 590 N CYS A 34 4.006 -2.421 -12.201 1.00 0.00 N ATOM 591 CA CYS A 34 4.375 -3.095 -13.423 1.00 0.00 C ATOM 592 C CYS A 34 3.131 -3.615 -14.122 1.00 0.00 C ATOM 593 O CYS A 34 3.140 -3.881 -15.322 1.00 0.00 O ATOM 594 CB CYS A 34 5.326 -4.253 -13.098 1.00 0.00 C ATOM 595 SG CYS A 34 6.047 -5.087 -14.530 1.00 0.00 S ATOM 0 H CYS A 34 4.115 -2.992 -11.363 1.00 0.00 H new ATOM 0 HA CYS A 34 4.880 -2.394 -14.088 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.135 -3.873 -12.475 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.785 -4.990 -12.504 1.00 0.00 H new ATOM 0 HG CYS A 34 7.141 -4.479 -14.881 1.00 0.00 H new ATOM 601 N CYS A 35 2.062 -3.721 -13.382 1.00 0.00 N ATOM 602 CA CYS A 35 0.844 -4.252 -13.895 1.00 0.00 C ATOM 603 C CYS A 35 -0.329 -3.561 -13.212 1.00 0.00 C ATOM 604 O CYS A 35 -0.189 -3.061 -12.103 1.00 0.00 O ATOM 605 CB CYS A 35 0.831 -5.764 -13.607 1.00 0.00 C ATOM 606 SG CYS A 35 -0.597 -6.679 -14.221 1.00 0.00 S ATOM 0 H CYS A 35 2.018 -3.438 -12.403 1.00 0.00 H new ATOM 0 HA CYS A 35 0.761 -4.084 -14.969 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.731 -6.203 -14.039 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.892 -5.908 -12.528 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.474 -7.935 -13.910 1.00 0.00 H new ATOM 612 N ASP A 36 -1.436 -3.476 -13.908 1.00 0.00 N ATOM 613 CA ASP A 36 -2.681 -2.969 -13.358 1.00 0.00 C ATOM 614 C ASP A 36 -3.451 -4.087 -12.748 1.00 0.00 C ATOM 615 O ASP A 36 -3.963 -4.975 -13.434 1.00 0.00 O ATOM 616 CB ASP A 36 -3.508 -2.208 -14.398 1.00 0.00 C ATOM 617 CG ASP A 36 -5.027 -2.178 -14.140 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.513 -1.304 -13.407 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.762 -3.021 -14.710 1.00 0.00 O ATOM 0 H ASP A 36 -1.504 -3.759 -14.886 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.440 -2.245 -12.580 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.144 -1.182 -14.446 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.331 -2.655 -15.376 1.00 0.00 H new ATOM 624 N VAL A 37 -3.435 -4.095 -11.478 1.00 0.00 N ATOM 625 CA VAL A 37 -4.116 -5.095 -10.710 1.00 0.00 C ATOM 626 C VAL A 37 -5.245 -4.404 -9.930 1.00 0.00 C ATOM 627 O VAL A 37 -5.211 -3.180 -9.747 1.00 0.00 O ATOM 628 CB VAL A 37 -3.131 -5.813 -9.756 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.724 -4.907 -8.657 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.677 -7.111 -9.211 1.00 0.00 C ATOM 0 H VAL A 37 -2.944 -3.401 -10.915 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.536 -5.858 -11.366 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.253 -6.075 -10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.031 -5.427 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.236 -4.026 -9.074 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.605 -4.601 -8.093 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.940 -7.566 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.593 -6.915 -8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.892 -7.790 -10.036 1.00 0.00 H new ATOM 640 N LYS A 38 -6.203 -5.141 -9.447 1.00 0.00 N ATOM 641 CA LYS A 38 -7.306 -4.534 -8.728 1.00 0.00 C ATOM 642 C LYS A 38 -7.474 -5.148 -7.350 1.00 0.00 C ATOM 643 O LYS A 38 -8.578 -5.196 -6.793 1.00 0.00 O ATOM 644 CB LYS A 38 -8.569 -4.645 -9.561 1.00 0.00 C ATOM 645 CG LYS A 38 -8.943 -6.058 -9.945 1.00 0.00 C ATOM 646 CD LYS A 38 -9.918 -6.050 -11.089 1.00 0.00 C ATOM 647 CE LYS A 38 -11.250 -5.414 -10.702 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.966 -6.214 -9.683 1.00 0.00 N ATOM 0 H LYS A 38 -6.251 -6.156 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.091 -3.478 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.396 -4.202 -9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.443 -4.056 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.048 -6.614 -10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.382 -6.570 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.487 -5.505 -11.929 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.089 -7.072 -11.426 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.075 -4.409 -10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.875 -5.312 -11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.938 -5.858 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.991 -7.211 -9.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.472 -6.136 -8.771 1.00 0.00 H new ATOM 662 N GLY A 39 -6.371 -5.568 -6.779 1.00 0.00 N ATOM 663 CA GLY A 39 -6.414 -6.124 -5.456 1.00 0.00 C ATOM 664 C GLY A 39 -6.840 -7.561 -5.460 1.00 0.00 C ATOM 665 O GLY A 39 -7.841 -7.925 -4.832 1.00 0.00 O ATOM 0 H GLY A 39 -5.445 -5.535 -7.206 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.429 -6.040 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.103 -5.544 -4.842 1.00 0.00 H new ATOM 669 N GLY A 40 -6.090 -8.365 -6.146 1.00 0.00 N ATOM 670 CA GLY A 40 -6.412 -9.757 -6.291 1.00 0.00 C ATOM 671 C GLY A 40 -5.826 -10.557 -5.168 1.00 0.00 C ATOM 672 O GLY A 40 -4.596 -10.615 -5.027 1.00 0.00 O ATOM 0 H GLY A 40 -5.235 -8.078 -6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.494 -9.885 -6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.032 -10.126 -7.244 1.00 0.00 H new ATOM 676 N LYS A 41 -6.708 -11.149 -4.380 1.00 0.00 N ATOM 677 CA LYS A 41 -6.378 -11.932 -3.198 1.00 0.00 C ATOM 678 C LYS A 41 -5.574 -11.089 -2.218 1.00 0.00 C ATOM 679 O LYS A 41 -4.355 -11.277 -2.058 1.00 0.00 O ATOM 680 CB LYS A 41 -5.656 -13.251 -3.536 1.00 0.00 C ATOM 681 CG LYS A 41 -5.512 -14.188 -2.342 1.00 0.00 C ATOM 682 CD LYS A 41 -4.693 -15.413 -2.686 1.00 0.00 C ATOM 683 CE LYS A 41 -4.648 -16.395 -1.523 1.00 0.00 C ATOM 684 NZ LYS A 41 -4.098 -15.797 -0.282 1.00 0.00 N ATOM 0 H LYS A 41 -7.712 -11.096 -4.552 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.317 -12.220 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.204 -13.764 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.666 -13.023 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.040 -13.655 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.500 -14.495 -2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.118 -15.903 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.679 -15.112 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.655 -16.764 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.042 -17.256 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.933 -16.546 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.200 -15.319 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.775 -15.107 0.100 1.00 0.00 H new ATOM 698 N ASN A 42 -6.270 -10.138 -1.612 1.00 0.00 N ATOM 699 CA ASN A 42 -5.721 -9.176 -0.654 1.00 0.00 C ATOM 700 C ASN A 42 -4.493 -8.484 -1.205 1.00 0.00 C ATOM 701 O ASN A 42 -3.350 -8.890 -0.925 1.00 0.00 O ATOM 702 CB ASN A 42 -5.430 -9.803 0.726 1.00 0.00 C ATOM 703 CG ASN A 42 -6.655 -10.415 1.380 1.00 0.00 C ATOM 704 OD1 ASN A 42 -6.926 -11.621 1.229 1.00 0.00 O ATOM 705 ND2 ASN A 42 -7.408 -9.621 2.104 1.00 0.00 N ATOM 0 H ASN A 42 -7.268 -10.006 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.496 -8.425 -0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.665 -10.571 0.614 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.019 -9.038 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.242 -9.987 2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.159 -8.637 2.208 1.00 0.00 H new ATOM 712 N GLU A 43 -4.716 -7.501 -2.049 1.00 0.00 N ATOM 713 CA GLU A 43 -3.642 -6.782 -2.658 1.00 0.00 C ATOM 714 C GLU A 43 -4.080 -5.322 -2.862 1.00 0.00 C ATOM 715 O GLU A 43 -5.177 -4.947 -2.435 1.00 0.00 O ATOM 716 CB GLU A 43 -3.322 -7.482 -3.964 1.00 0.00 C ATOM 717 CG GLU A 43 -1.920 -7.300 -4.456 1.00 0.00 C ATOM 718 CD GLU A 43 -1.482 -8.506 -5.205 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.207 -9.542 -4.558 1.00 0.00 O ATOM 720 OE2 GLU A 43 -1.404 -8.471 -6.428 1.00 0.00 O ATOM 0 H GLU A 43 -5.646 -7.186 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.744 -6.765 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.512 -8.548 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.009 -7.121 -4.729 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.863 -6.422 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.251 -7.122 -3.614 1.00 0.00 H new ATOM 727 N LEU A 44 -3.253 -4.517 -3.498 1.00 0.00 N ATOM 728 CA LEU A 44 -3.554 -3.110 -3.717 1.00 0.00 C ATOM 729 C LEU A 44 -4.120 -2.948 -5.116 1.00 0.00 C ATOM 730 O LEU A 44 -3.889 -3.789 -5.978 1.00 0.00 O ATOM 731 CB LEU A 44 -2.233 -2.315 -3.636 1.00 0.00 C ATOM 732 CG LEU A 44 -2.289 -0.874 -3.069 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.923 -0.353 -2.938 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.065 0.087 -3.920 1.00 0.00 C ATOM 0 H LEU A 44 -2.355 -4.815 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.267 -2.753 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.535 -2.888 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.811 -2.264 -4.640 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.800 -0.949 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.957 0.661 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.354 -0.990 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.442 -0.342 -3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.057 1.073 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.609 0.148 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.094 -0.261 -4.016 1.00 0.00 H new ATOM 746 N SER A 45 -4.890 -1.912 -5.327 1.00 0.00 N ATOM 747 CA SER A 45 -5.371 -1.607 -6.633 1.00 0.00 C ATOM 748 C SER A 45 -4.534 -0.487 -7.240 1.00 0.00 C ATOM 749 O SER A 45 -4.528 0.644 -6.748 1.00 0.00 O ATOM 750 CB SER A 45 -6.847 -1.229 -6.608 1.00 0.00 C ATOM 751 OG SER A 45 -7.628 -2.248 -6.007 1.00 0.00 O ATOM 0 H SER A 45 -5.195 -1.266 -4.599 1.00 0.00 H new ATOM 0 HA SER A 45 -5.276 -2.498 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.977 -0.296 -6.059 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.197 -1.051 -7.625 1.00 0.00 H new ATOM 0 HG SER A 45 -8.570 -1.979 -6.003 1.00 0.00 H new ATOM 757 N PHE A 46 -3.845 -0.799 -8.287 1.00 0.00 N ATOM 758 CA PHE A 46 -2.986 0.137 -8.945 1.00 0.00 C ATOM 759 C PHE A 46 -2.920 -0.174 -10.397 1.00 0.00 C ATOM 760 O PHE A 46 -3.194 -1.299 -10.804 1.00 0.00 O ATOM 761 CB PHE A 46 -1.585 0.144 -8.327 1.00 0.00 C ATOM 762 CG PHE A 46 -0.963 -1.210 -8.137 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.280 -1.832 -9.162 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.037 -1.841 -6.919 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.317 -3.057 -8.976 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.449 -3.066 -6.729 1.00 0.00 C ATOM 767 CZ PHE A 46 0.234 -3.675 -7.758 1.00 0.00 C ATOM 0 H PHE A 46 -3.861 -1.723 -8.718 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.403 1.135 -8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.929 0.742 -8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.635 0.642 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.213 -1.349 -10.126 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.563 -1.368 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.849 -3.529 -9.788 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.522 -3.555 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.702 -4.636 -7.604 1.00 0.00 H new ATOM 777 N LYS A 47 -2.562 0.795 -11.164 1.00 0.00 N ATOM 778 CA LYS A 47 -2.490 0.644 -12.583 1.00 0.00 C ATOM 779 C LYS A 47 -1.076 0.685 -13.024 1.00 0.00 C ATOM 780 O LYS A 47 -0.256 1.253 -12.345 1.00 0.00 O ATOM 781 CB LYS A 47 -3.305 1.722 -13.271 1.00 0.00 C ATOM 782 CG LYS A 47 -4.766 1.589 -12.966 1.00 0.00 C ATOM 783 CD LYS A 47 -5.632 2.451 -13.832 1.00 0.00 C ATOM 784 CE LYS A 47 -7.075 2.066 -13.630 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.312 0.645 -13.993 1.00 0.00 N ATOM 0 H LYS A 47 -2.308 1.723 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.910 -0.323 -12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.954 2.703 -12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.151 1.663 -14.348 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.063 0.547 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.937 1.847 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.485 3.502 -13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.354 2.330 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.354 2.229 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.713 2.709 -14.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.333 0.447 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.942 0.464 -14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.827 0.027 -13.312 1.00 0.00 H new ATOM 799 N GLN A 48 -0.779 0.042 -14.137 1.00 0.00 N ATOM 800 CA GLN A 48 0.571 0.044 -14.696 1.00 0.00 C ATOM 801 C GLN A 48 1.018 1.511 -14.897 1.00 0.00 C ATOM 802 O GLN A 48 0.468 2.229 -15.743 1.00 0.00 O ATOM 803 CB GLN A 48 0.563 -0.729 -16.029 1.00 0.00 C ATOM 804 CG GLN A 48 1.926 -1.207 -16.576 1.00 0.00 C ATOM 805 CD GLN A 48 2.907 -0.110 -16.949 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.897 0.380 -18.068 1.00 0.00 O ATOM 807 NE2 GLN A 48 3.796 0.235 -16.047 1.00 0.00 N ATOM 0 H GLN A 48 -1.456 -0.494 -14.680 1.00 0.00 H new ATOM 0 HA GLN A 48 1.275 -0.446 -14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.078 -1.602 -15.909 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.099 -0.095 -16.785 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.393 -1.847 -15.828 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.747 -1.824 -17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.776 -0.194 -15.122 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.506 0.932 -16.271 1.00 0.00 H new ATOM 816 N GLY A 49 1.973 1.941 -14.089 1.00 0.00 N ATOM 817 CA GLY A 49 2.435 3.314 -14.134 1.00 0.00 C ATOM 818 C GLY A 49 1.752 4.184 -13.084 1.00 0.00 C ATOM 819 O GLY A 49 1.594 5.382 -13.274 1.00 0.00 O ATOM 0 H GLY A 49 2.442 1.358 -13.395 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.514 3.338 -13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.246 3.727 -15.125 1.00 0.00 H new ATOM 823 N GLU A 50 1.330 3.559 -11.999 1.00 0.00 N ATOM 824 CA GLU A 50 0.647 4.242 -10.897 1.00 0.00 C ATOM 825 C GLU A 50 1.647 4.950 -9.984 1.00 0.00 C ATOM 826 O GLU A 50 1.390 6.051 -9.496 1.00 0.00 O ATOM 827 CB GLU A 50 -0.116 3.212 -10.070 1.00 0.00 C ATOM 828 CG GLU A 50 -1.080 3.781 -9.059 1.00 0.00 C ATOM 829 CD GLU A 50 -2.256 4.460 -9.696 1.00 0.00 C ATOM 830 OE1 GLU A 50 -2.163 5.656 -10.035 1.00 0.00 O ATOM 831 OE2 GLU A 50 -3.304 3.808 -9.858 1.00 0.00 O ATOM 0 H GLU A 50 1.449 2.557 -11.850 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.031 4.983 -11.321 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.669 2.563 -10.749 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.605 2.585 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.436 2.979 -8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.555 4.494 -8.424 1.00 0.00 H new ATOM 838 N GLN A 51 2.782 4.296 -9.805 1.00 0.00 N ATOM 839 CA GLN A 51 3.865 4.671 -8.880 1.00 0.00 C ATOM 840 C GLN A 51 3.445 4.414 -7.430 1.00 0.00 C ATOM 841 O GLN A 51 2.545 5.064 -6.883 1.00 0.00 O ATOM 842 CB GLN A 51 4.393 6.100 -9.085 1.00 0.00 C ATOM 843 CG GLN A 51 5.623 6.402 -8.245 1.00 0.00 C ATOM 844 CD GLN A 51 6.147 7.799 -8.441 1.00 0.00 C ATOM 845 OE1 GLN A 51 5.734 8.723 -7.743 1.00 0.00 O ATOM 846 NE2 GLN A 51 7.057 7.972 -9.363 1.00 0.00 N ATOM 0 H GLN A 51 2.995 3.443 -10.323 1.00 0.00 H new ATOM 0 HA GLN A 51 4.712 4.026 -9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.634 6.245 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.606 6.812 -8.837 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.381 6.256 -7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.409 5.688 -8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.374 7.180 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.450 8.899 -9.524 1.00 0.00 H new ATOM 855 N ILE A 52 4.100 3.466 -6.834 1.00 0.00 N ATOM 856 CA ILE A 52 3.767 2.957 -5.531 1.00 0.00 C ATOM 857 C ILE A 52 4.965 3.179 -4.615 1.00 0.00 C ATOM 858 O ILE A 52 6.056 3.413 -5.090 1.00 0.00 O ATOM 859 CB ILE A 52 3.502 1.424 -5.664 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.603 1.164 -6.885 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.879 0.836 -4.396 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.148 -0.248 -7.028 1.00 0.00 C ATOM 0 H ILE A 52 4.909 3.007 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 52 2.887 3.457 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 52 4.460 0.924 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.727 1.810 -6.820 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.144 1.451 -7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.712 -0.232 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.553 0.992 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.928 1.329 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.520 -0.340 -7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.015 -0.901 -7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.576 -0.537 -6.146 1.00 0.00 H new ATOM 874 N GLU A 53 4.776 3.155 -3.337 1.00 0.00 N ATOM 875 CA GLU A 53 5.889 3.233 -2.428 1.00 0.00 C ATOM 876 C GLU A 53 5.933 1.953 -1.614 1.00 0.00 C ATOM 877 O GLU A 53 4.892 1.498 -1.137 1.00 0.00 O ATOM 878 CB GLU A 53 5.748 4.397 -1.483 1.00 0.00 C ATOM 879 CG GLU A 53 5.506 5.754 -2.124 1.00 0.00 C ATOM 880 CD GLU A 53 5.398 6.847 -1.086 1.00 0.00 C ATOM 881 OE1 GLU A 53 4.512 6.759 -0.198 1.00 0.00 O ATOM 882 OE2 GLU A 53 6.194 7.801 -1.107 1.00 0.00 O ATOM 0 H GLU A 53 3.862 3.082 -2.890 1.00 0.00 H new ATOM 0 HA GLU A 53 6.802 3.369 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.923 4.188 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.653 4.460 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.320 5.983 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.590 5.720 -2.715 1.00 0.00 H new ATOM 889 N ILE A 54 7.102 1.368 -1.466 1.00 0.00 N ATOM 890 CA ILE A 54 7.240 0.156 -0.680 1.00 0.00 C ATOM 891 C ILE A 54 7.538 0.546 0.765 1.00 0.00 C ATOM 892 O ILE A 54 8.438 1.353 1.030 1.00 0.00 O ATOM 893 CB ILE A 54 8.353 -0.816 -1.243 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.450 -2.101 -0.425 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.707 -0.163 -1.320 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.259 -2.990 -0.562 1.00 0.00 C ATOM 0 H ILE A 54 7.970 1.709 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 54 6.303 -0.399 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 54 8.040 -1.065 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.340 -2.650 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.581 -1.843 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.433 -0.875 -1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.656 0.704 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.014 0.156 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.399 -3.883 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.368 -2.459 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.138 -3.278 -1.606 1.00 0.00 H new ATOM 908 N ILE A 55 6.757 0.039 1.677 1.00 0.00 N ATOM 909 CA ILE A 55 6.949 0.345 3.080 1.00 0.00 C ATOM 910 C ILE A 55 7.453 -0.847 3.868 1.00 0.00 C ATOM 911 O ILE A 55 8.308 -0.701 4.757 1.00 0.00 O ATOM 912 CB ILE A 55 5.702 0.974 3.786 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.385 0.242 3.436 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.603 2.462 3.487 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.741 0.686 2.135 1.00 0.00 C ATOM 0 H ILE A 55 5.978 -0.590 1.481 1.00 0.00 H new ATOM 0 HA ILE A 55 7.720 1.115 3.076 1.00 0.00 H new ATOM 0 HB ILE A 55 5.849 0.847 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.583 -0.828 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.674 0.393 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.729 2.877 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.500 2.966 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.509 2.612 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.824 0.120 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.506 1.749 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.430 0.508 1.309 1.00 0.00 H new ATOM 927 N ARG A 56 6.954 -2.026 3.580 1.00 0.00 N ATOM 928 CA ARG A 56 7.434 -3.171 4.305 1.00 0.00 C ATOM 929 C ARG A 56 7.718 -4.328 3.364 1.00 0.00 C ATOM 930 O ARG A 56 6.896 -4.660 2.507 1.00 0.00 O ATOM 931 CB ARG A 56 6.447 -3.612 5.393 1.00 0.00 C ATOM 932 CG ARG A 56 7.099 -4.454 6.495 1.00 0.00 C ATOM 933 CD ARG A 56 7.659 -3.604 7.645 1.00 0.00 C ATOM 934 NE ARG A 56 8.443 -2.436 7.188 1.00 0.00 N ATOM 935 CZ ARG A 56 9.142 -1.601 7.970 1.00 0.00 C ATOM 936 NH1 ARG A 56 9.177 -1.773 9.282 1.00 0.00 N ATOM 937 NH2 ARG A 56 9.776 -0.573 7.420 1.00 0.00 N ATOM 0 H ARG A 56 6.241 -2.212 2.874 1.00 0.00 H new ATOM 0 HA ARG A 56 8.363 -2.873 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.992 -2.729 5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.643 -4.187 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.365 -5.155 6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.905 -5.047 6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.833 -3.257 8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.290 -4.231 8.276 1.00 0.00 H new ATOM 0 HE ARG A 56 8.453 -2.249 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.669 -2.548 9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.712 -1.131 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.728 -0.425 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.311 0.069 8.005 1.00 0.00 H new ATOM 951 N ILE A 57 8.890 -4.890 3.508 1.00 0.00 N ATOM 952 CA ILE A 57 9.330 -6.060 2.756 1.00 0.00 C ATOM 953 C ILE A 57 9.779 -7.154 3.704 1.00 0.00 C ATOM 954 O ILE A 57 10.159 -8.242 3.284 1.00 0.00 O ATOM 955 CB ILE A 57 10.508 -5.777 1.745 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.637 -4.909 2.339 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.000 -5.174 0.463 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.295 -3.436 2.428 1.00 0.00 C ATOM 0 H ILE A 57 9.590 -4.546 4.165 1.00 0.00 H new ATOM 0 HA ILE A 57 8.462 -6.364 2.170 1.00 0.00 H new ATOM 0 HB ILE A 57 10.946 -6.751 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.879 -5.277 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.533 -5.028 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.838 -4.992 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.298 -5.861 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.496 -4.232 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.137 -2.892 2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.083 -3.051 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.419 -3.304 3.062 1.00 0.00 H new ATOM 970 N THR A 58 9.736 -6.861 4.978 1.00 0.00 N ATOM 971 CA THR A 58 10.187 -7.777 5.983 1.00 0.00 C ATOM 972 C THR A 58 9.025 -8.275 6.823 1.00 0.00 C ATOM 973 O THR A 58 8.043 -7.556 7.006 1.00 0.00 O ATOM 974 CB THR A 58 11.238 -7.096 6.876 1.00 0.00 C ATOM 975 OG1 THR A 58 10.716 -5.833 7.361 1.00 0.00 O ATOM 976 CG2 THR A 58 12.517 -6.848 6.082 1.00 0.00 C ATOM 0 H THR A 58 9.385 -5.976 5.345 1.00 0.00 H new ATOM 0 HA THR A 58 10.640 -8.637 5.490 1.00 0.00 H new ATOM 0 HB THR A 58 11.464 -7.747 7.721 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.385 -5.400 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.255 -6.366 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.913 -7.798 5.724 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.298 -6.203 5.231 1.00 0.00 H new ATOM 984 N ASP A 59 9.138 -9.524 7.277 1.00 0.00 N ATOM 985 CA ASP A 59 8.139 -10.205 8.124 1.00 0.00 C ATOM 986 C ASP A 59 6.860 -10.430 7.320 1.00 0.00 C ATOM 987 O ASP A 59 5.760 -10.568 7.847 1.00 0.00 O ATOM 988 CB ASP A 59 7.877 -9.447 9.453 1.00 0.00 C ATOM 989 CG ASP A 59 7.101 -10.302 10.444 1.00 0.00 C ATOM 990 OD1 ASP A 59 7.511 -11.480 10.675 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.092 -9.840 11.020 1.00 0.00 O ATOM 0 H ASP A 59 9.945 -10.111 7.064 1.00 0.00 H new ATOM 0 HA ASP A 59 8.538 -11.176 8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.827 -9.149 9.896 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.320 -8.533 9.247 1.00 0.00 H new ATOM 996 N ASN A 60 7.058 -10.556 6.039 1.00 0.00 N ATOM 997 CA ASN A 60 6.000 -10.736 5.084 1.00 0.00 C ATOM 998 C ASN A 60 5.490 -12.183 5.087 1.00 0.00 C ATOM 999 O ASN A 60 6.232 -13.122 4.767 1.00 0.00 O ATOM 1000 CB ASN A 60 6.461 -10.276 3.679 1.00 0.00 C ATOM 1001 CG ASN A 60 7.688 -10.989 3.112 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.555 -11.476 3.841 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.798 -11.006 1.817 1.00 0.00 N ATOM 0 H ASN A 60 7.986 -10.536 5.617 1.00 0.00 H new ATOM 0 HA ASN A 60 5.156 -10.110 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.633 -10.412 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.672 -9.207 3.719 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.617 -11.430 1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.066 -10.596 1.238 1.00 0.00 H new ATOM 1010 N PRO A 61 4.217 -12.381 5.488 1.00 0.00 N ATOM 1011 CA PRO A 61 3.595 -13.714 5.612 1.00 0.00 C ATOM 1012 C PRO A 61 3.500 -14.481 4.286 1.00 0.00 C ATOM 1013 O PRO A 61 4.139 -15.525 4.122 1.00 0.00 O ATOM 1014 CB PRO A 61 2.188 -13.411 6.151 1.00 0.00 C ATOM 1015 CG PRO A 61 2.278 -12.038 6.718 1.00 0.00 C ATOM 1016 CD PRO A 61 3.283 -11.312 5.883 1.00 0.00 C ATOM 0 HA PRO A 61 4.193 -14.360 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.442 -13.462 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.893 -14.133 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.310 -11.538 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.587 -12.067 7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.822 -10.838 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.784 -10.526 6.447 1.00 0.00 H new ATOM 1024 N GLU A 62 2.753 -13.932 3.327 1.00 0.00 N ATOM 1025 CA GLU A 62 2.513 -14.600 2.041 1.00 0.00 C ATOM 1026 C GLU A 62 3.746 -14.496 1.132 1.00 0.00 C ATOM 1027 O GLU A 62 3.845 -15.154 0.090 1.00 0.00 O ATOM 1028 CB GLU A 62 1.222 -14.022 1.383 1.00 0.00 C ATOM 1029 CG GLU A 62 0.834 -14.609 0.022 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.610 -14.329 -0.359 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -1.495 -15.146 0.020 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.904 -13.324 -1.050 1.00 0.00 O ATOM 0 H GLU A 62 2.301 -13.022 3.415 1.00 0.00 H new ATOM 0 HA GLU A 62 2.347 -15.665 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.390 -14.173 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.349 -12.946 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.492 -14.199 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.997 -15.687 0.038 1.00 0.00 H new ATOM 1039 N GLY A 63 4.706 -13.709 1.562 1.00 0.00 N ATOM 1040 CA GLY A 63 5.912 -13.520 0.781 1.00 0.00 C ATOM 1041 C GLY A 63 5.757 -12.372 -0.162 1.00 0.00 C ATOM 1042 O GLY A 63 6.609 -12.109 -1.009 1.00 0.00 O ATOM 0 H GLY A 63 4.678 -13.192 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.757 -13.339 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.135 -14.429 0.222 1.00 0.00 H new ATOM 1046 N LYS A 64 4.676 -11.683 0.005 1.00 0.00 N ATOM 1047 CA LYS A 64 4.340 -10.561 -0.780 1.00 0.00 C ATOM 1048 C LYS A 64 4.789 -9.301 -0.038 1.00 0.00 C ATOM 1049 O LYS A 64 5.086 -9.373 1.140 1.00 0.00 O ATOM 1050 CB LYS A 64 2.841 -10.583 -1.065 1.00 0.00 C ATOM 1051 CG LYS A 64 1.916 -10.218 0.086 1.00 0.00 C ATOM 1052 CD LYS A 64 0.467 -10.605 -0.240 1.00 0.00 C ATOM 1053 CE LYS A 64 0.083 -10.190 -1.656 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.317 -10.497 -1.998 1.00 0.00 N ATOM 0 H LYS A 64 3.983 -11.902 0.721 1.00 0.00 H new ATOM 0 HA LYS A 64 4.848 -10.576 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.642 -9.899 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.576 -11.583 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.238 -10.728 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.977 -9.148 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.343 -11.682 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.207 -10.132 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.250 -9.119 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.741 -10.693 -2.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.470 -10.332 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.519 -11.492 -1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.951 -9.883 -1.448 1.00 0.00 H new ATOM 1068 N TRP A 65 4.882 -8.203 -0.725 1.00 0.00 N ATOM 1069 CA TRP A 65 5.385 -6.959 -0.147 1.00 0.00 C ATOM 1070 C TRP A 65 4.234 -6.067 0.280 1.00 0.00 C ATOM 1071 O TRP A 65 3.097 -6.412 0.081 1.00 0.00 O ATOM 1072 CB TRP A 65 6.266 -6.224 -1.163 1.00 0.00 C ATOM 1073 CG TRP A 65 7.574 -6.897 -1.447 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.217 -7.802 -0.650 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.422 -6.699 -2.597 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.392 -8.189 -1.233 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.547 -7.531 -2.425 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.337 -5.913 -3.753 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.577 -7.596 -3.359 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.364 -5.983 -4.675 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.466 -6.817 -4.476 1.00 0.00 C ATOM 0 H TRP A 65 4.615 -8.127 -1.706 1.00 0.00 H new ATOM 0 HA TRP A 65 5.982 -7.203 0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.714 -6.121 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.462 -5.217 -0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.851 -8.159 0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.050 -8.863 -0.842 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.488 -5.267 -3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.432 -8.238 -3.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.313 -5.379 -5.569 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.247 -6.847 -5.221 1.00 0.00 H new ATOM 1092 N LEU A 66 4.531 -4.946 0.893 1.00 0.00 N ATOM 1093 CA LEU A 66 3.502 -3.997 1.285 1.00 0.00 C ATOM 1094 C LEU A 66 3.759 -2.669 0.615 1.00 0.00 C ATOM 1095 O LEU A 66 4.769 -2.005 0.907 1.00 0.00 O ATOM 1096 CB LEU A 66 3.478 -3.800 2.808 1.00 0.00 C ATOM 1097 CG LEU A 66 2.417 -2.826 3.340 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.020 -3.330 3.063 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.605 -2.583 4.815 1.00 0.00 C ATOM 0 H LEU A 66 5.481 -4.663 1.135 1.00 0.00 H new ATOM 0 HA LEU A 66 2.536 -4.395 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.321 -4.771 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.459 -3.447 3.125 1.00 0.00 H new ATOM 0 HG LEU A 66 2.545 -1.880 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.292 -2.618 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.880 -3.441 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.878 -4.295 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.842 -1.890 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.517 -3.527 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.593 -2.156 4.990 1.00 0.00 H new ATOM 1111 N GLY A 67 2.871 -2.278 -0.263 1.00 0.00 N ATOM 1112 CA GLY A 67 3.020 -1.037 -0.959 1.00 0.00 C ATOM 1113 C GLY A 67 1.854 -0.125 -0.691 1.00 0.00 C ATOM 1114 O GLY A 67 0.800 -0.587 -0.250 1.00 0.00 O ATOM 0 H GLY A 67 2.035 -2.808 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.945 -0.551 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.101 -1.224 -2.030 1.00 0.00 H new ATOM 1118 N ARG A 68 2.039 1.155 -0.915 1.00 0.00 N ATOM 1119 CA ARG A 68 0.980 2.130 -0.748 1.00 0.00 C ATOM 1120 C ARG A 68 0.968 3.063 -1.924 1.00 0.00 C ATOM 1121 O ARG A 68 1.988 3.255 -2.583 1.00 0.00 O ATOM 1122 CB ARG A 68 1.146 2.948 0.552 1.00 0.00 C ATOM 1123 CG ARG A 68 0.003 3.932 0.858 1.00 0.00 C ATOM 1124 CD ARG A 68 0.374 4.952 1.911 1.00 0.00 C ATOM 1125 NE ARG A 68 1.354 5.918 1.423 1.00 0.00 N ATOM 1126 CZ ARG A 68 1.684 7.051 2.051 1.00 0.00 C ATOM 1127 NH1 ARG A 68 1.017 7.432 3.151 1.00 0.00 N ATOM 1128 NH2 ARG A 68 2.665 7.810 1.574 1.00 0.00 N ATOM 0 H ARG A 68 2.928 1.553 -1.219 1.00 0.00 H new ATOM 0 HA ARG A 68 0.037 1.587 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.241 2.255 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.080 3.507 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.280 4.449 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.872 3.374 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.523 5.480 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.776 4.439 2.785 1.00 0.00 H new ATOM 0 HE ARG A 68 1.820 5.714 0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.255 6.857 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.271 8.297 3.628 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.164 7.528 0.731 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.919 8.675 2.051 1.00 0.00 H new ATOM 1142 N THR A 69 -0.178 3.595 -2.196 1.00 0.00 N ATOM 1143 CA THR A 69 -0.342 4.596 -3.216 1.00 0.00 C ATOM 1144 C THR A 69 -0.694 5.922 -2.517 1.00 0.00 C ATOM 1145 O THR A 69 -1.054 5.905 -1.331 1.00 0.00 O ATOM 1146 CB THR A 69 -1.419 4.170 -4.229 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.275 2.764 -4.481 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.227 4.895 -5.552 1.00 0.00 C ATOM 0 H THR A 69 -1.042 3.348 -1.714 1.00 0.00 H new ATOM 0 HA THR A 69 0.578 4.722 -3.786 1.00 0.00 H new ATOM 0 HB THR A 69 -2.400 4.409 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.956 2.476 -5.124 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.998 4.580 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.300 5.971 -5.391 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.245 4.655 -5.959 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.598 7.029 -3.236 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.722 8.396 -2.704 1.00 0.00 C ATOM 1158 C ALA A 70 -1.957 8.645 -1.836 1.00 0.00 C ATOM 1159 O ALA A 70 -1.898 9.430 -0.873 1.00 0.00 O ATOM 1160 CB ALA A 70 -0.688 9.391 -3.847 1.00 0.00 C ATOM 0 H ALA A 70 -0.426 7.011 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 70 0.130 8.529 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.780 10.403 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.256 9.296 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.515 9.191 -4.528 1.00 0.00 H new ATOM 1166 N ARG A 71 -3.054 7.978 -2.114 1.00 0.00 N ATOM 1167 CA ARG A 71 -4.259 8.271 -1.342 1.00 0.00 C ATOM 1168 C ARG A 71 -4.338 7.392 -0.087 1.00 0.00 C ATOM 1169 O ARG A 71 -5.195 7.591 0.780 1.00 0.00 O ATOM 1170 CB ARG A 71 -5.553 8.252 -2.222 1.00 0.00 C ATOM 1171 CG ARG A 71 -6.139 6.889 -2.609 1.00 0.00 C ATOM 1172 CD ARG A 71 -7.018 6.304 -1.504 1.00 0.00 C ATOM 1173 NE ARG A 71 -7.528 4.965 -1.823 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.401 4.280 -1.065 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -9.016 4.881 -0.047 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -8.683 3.015 -1.349 1.00 0.00 N ATOM 0 H ARG A 71 -3.147 7.260 -2.832 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.189 9.299 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.325 8.810 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.340 8.797 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.726 6.994 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.327 6.196 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.445 6.257 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.859 6.973 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.196 4.523 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.824 5.862 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.678 4.360 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.237 2.559 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.346 2.498 -0.771 1.00 0.00 H new ATOM 1190 N GLY A 72 -3.420 6.453 0.011 1.00 0.00 N ATOM 1191 CA GLY A 72 -3.349 5.563 1.132 1.00 0.00 C ATOM 1192 C GLY A 72 -4.139 4.312 0.902 1.00 0.00 C ATOM 1193 O GLY A 72 -5.362 4.287 1.034 1.00 0.00 O ATOM 0 H GLY A 72 -2.701 6.292 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.308 5.305 1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.722 6.070 2.022 1.00 0.00 H new ATOM 1197 N SER A 73 -3.454 3.305 0.491 1.00 0.00 N ATOM 1198 CA SER A 73 -3.958 2.032 0.231 1.00 0.00 C ATOM 1199 C SER A 73 -2.775 1.186 0.438 1.00 0.00 C ATOM 1200 O SER A 73 -1.749 1.445 -0.154 1.00 0.00 O ATOM 1201 CB SER A 73 -4.424 1.909 -1.196 1.00 0.00 C ATOM 1202 OG SER A 73 -5.339 2.945 -1.530 1.00 0.00 O ATOM 0 H SER A 73 -2.451 3.370 0.319 1.00 0.00 H new ATOM 0 HA SER A 73 -4.817 1.776 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.565 1.949 -1.866 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.899 0.939 -1.344 1.00 0.00 H new ATOM 0 HG SER A 73 -5.624 2.842 -2.462 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.876 0.276 1.249 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.786 -0.555 1.599 1.00 0.00 C ATOM 1210 C TYR A 74 -2.082 -1.899 1.127 1.00 0.00 C ATOM 1211 O TYR A 74 -2.598 -2.752 1.854 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.579 -0.578 3.072 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.821 0.582 3.684 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.461 1.759 4.053 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.536 0.480 3.927 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.763 2.791 4.647 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.242 1.510 4.512 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.590 2.661 4.872 1.00 0.00 C ATOM 1219 OH TYR A 74 1.289 3.691 5.475 1.00 0.00 O ATOM 0 H TYR A 74 -3.744 0.046 1.732 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.874 -0.171 1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.557 -0.631 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -1.050 -1.497 3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.520 1.868 3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.055 -0.427 3.653 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.276 3.697 4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.303 1.410 4.686 1.00 0.00 H new ATOM 0 HH TYR A 74 2.232 3.439 5.562 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.859 -2.086 -0.083 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.110 -3.294 -0.621 1.00 0.00 C ATOM 1231 C GLY A 75 -0.887 -4.043 -0.672 1.00 0.00 C ATOM 1232 O GLY A 75 0.030 -3.704 -1.423 1.00 0.00 O ATOM 0 H GLY A 75 -1.491 -1.386 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.853 -3.825 -0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.525 -3.182 -1.622 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.792 -4.912 0.254 1.00 0.00 N ATOM 1237 CA TYR A 76 0.220 -5.933 0.252 1.00 0.00 C ATOM 1238 C TYR A 76 0.226 -6.596 -1.131 1.00 0.00 C ATOM 1239 O TYR A 76 -0.662 -7.345 -1.479 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.004 -6.955 1.398 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.326 -6.776 2.125 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.484 -7.315 1.613 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.412 -6.036 3.297 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.695 -7.134 2.231 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.621 -5.856 3.926 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.764 -6.406 3.382 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.987 -6.221 4.000 1.00 0.00 O ATOM 0 H TYR A 76 -1.419 -4.950 1.058 1.00 0.00 H new ATOM 0 HA TYR A 76 1.199 -5.492 0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.041 -7.964 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.811 -6.866 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.438 -7.894 0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.520 -5.597 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.590 -7.566 1.808 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.676 -5.287 4.842 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.565 -6.992 3.819 1.00 0.00 H new ATOM 1257 N ILE A 77 1.173 -6.169 -1.908 1.00 0.00 N ATOM 1258 CA ILE A 77 1.384 -6.531 -3.265 1.00 0.00 C ATOM 1259 C ILE A 77 2.053 -7.798 -3.425 1.00 0.00 C ATOM 1260 O ILE A 77 2.951 -8.138 -2.671 1.00 0.00 O ATOM 1261 CB ILE A 77 2.323 -5.540 -3.935 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.405 -5.049 -2.951 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.575 -4.402 -4.526 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.346 -4.023 -3.509 1.00 0.00 C ATOM 0 H ILE A 77 1.872 -5.504 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 77 0.384 -6.561 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 77 2.826 -6.059 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.914 -4.631 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.985 -5.908 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.275 -3.712 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.875 -4.776 -5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.025 -3.882 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.070 -3.739 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.871 -4.440 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.782 -3.143 -3.819 1.00 0.00 H new ATOM 1276 N LYS A 78 1.695 -8.481 -4.438 1.00 0.00 N ATOM 1277 CA LYS A 78 2.462 -9.542 -4.802 1.00 0.00 C ATOM 1278 C LYS A 78 3.587 -8.902 -5.608 1.00 0.00 C ATOM 1279 O LYS A 78 3.373 -8.165 -6.558 1.00 0.00 O ATOM 1280 CB LYS A 78 1.696 -10.628 -5.562 1.00 0.00 C ATOM 1281 CG LYS A 78 1.305 -10.280 -6.960 1.00 0.00 C ATOM 1282 CD LYS A 78 0.665 -11.466 -7.688 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.831 -11.672 -7.382 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.176 -11.819 -5.949 1.00 0.00 N ATOM 0 H LYS A 78 0.872 -8.305 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 78 2.833 -10.100 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.308 -11.529 -5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.794 -10.872 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.606 -9.444 -6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.185 -9.948 -7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.787 -11.326 -8.762 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.206 -12.374 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.386 -10.826 -7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.173 -12.560 -7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.152 -12.168 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.525 -12.496 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.094 -10.896 -5.476 1.00 0.00 H new ATOM 1298 N THR A 79 4.708 -9.080 -5.082 1.00 0.00 N ATOM 1299 CA THR A 79 6.027 -8.591 -5.520 1.00 0.00 C ATOM 1300 C THR A 79 6.200 -8.537 -7.056 1.00 0.00 C ATOM 1301 O THR A 79 6.769 -7.598 -7.591 1.00 0.00 O ATOM 1302 CB THR A 79 7.089 -9.566 -4.954 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.877 -10.885 -5.509 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.946 -9.693 -3.455 1.00 0.00 C ATOM 0 H THR A 79 4.791 -9.632 -4.228 1.00 0.00 H new ATOM 0 HA THR A 79 6.135 -7.569 -5.156 1.00 0.00 H new ATOM 0 HB THR A 79 8.074 -9.177 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.550 -11.502 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.700 -10.382 -3.075 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.081 -8.715 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.953 -10.074 -3.215 1.00 0.00 H new ATOM 1312 N THR A 80 5.661 -9.515 -7.723 1.00 0.00 N ATOM 1313 CA THR A 80 5.728 -9.655 -9.154 1.00 0.00 C ATOM 1314 C THR A 80 4.862 -8.577 -9.898 1.00 0.00 C ATOM 1315 O THR A 80 4.959 -8.418 -11.127 1.00 0.00 O ATOM 1316 CB THR A 80 5.292 -11.108 -9.527 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.309 -11.340 -10.938 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.922 -11.422 -8.959 1.00 0.00 C ATOM 0 H THR A 80 5.142 -10.268 -7.271 1.00 0.00 H new ATOM 0 HA THR A 80 6.753 -9.484 -9.483 1.00 0.00 H new ATOM 0 HB THR A 80 6.025 -11.779 -9.080 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.299 -10.482 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.639 -12.439 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.949 -11.332 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.191 -10.722 -9.363 1.00 0.00 H new ATOM 1326 N ALA A 81 4.040 -7.828 -9.163 1.00 0.00 N ATOM 1327 CA ALA A 81 3.206 -6.812 -9.770 1.00 0.00 C ATOM 1328 C ALA A 81 3.896 -5.453 -9.743 1.00 0.00 C ATOM 1329 O ALA A 81 3.438 -4.497 -10.383 1.00 0.00 O ATOM 1330 CB ALA A 81 1.850 -6.749 -9.084 1.00 0.00 C ATOM 0 H ALA A 81 3.940 -7.911 -8.151 1.00 0.00 H new ATOM 0 HA ALA A 81 3.045 -7.084 -10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.239 -5.979 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.351 -7.714 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.986 -6.509 -8.030 1.00 0.00 H new ATOM 1336 N VAL A 82 4.997 -5.354 -9.019 1.00 0.00 N ATOM 1337 CA VAL A 82 5.727 -4.103 -8.949 1.00 0.00 C ATOM 1338 C VAL A 82 7.185 -4.279 -9.242 1.00 0.00 C ATOM 1339 O VAL A 82 7.768 -5.343 -9.023 1.00 0.00 O ATOM 1340 CB VAL A 82 5.608 -3.372 -7.587 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.209 -2.862 -7.348 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.058 -4.268 -6.446 1.00 0.00 C ATOM 0 H VAL A 82 5.401 -6.117 -8.477 1.00 0.00 H new ATOM 0 HA VAL A 82 5.252 -3.489 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 82 6.271 -2.508 -7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.166 -2.356 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.937 -2.162 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.511 -3.699 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.964 -3.730 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.435 -5.162 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.098 -4.556 -6.598 1.00 0.00 H new ATOM 1352 N GLU A 83 7.756 -3.245 -9.736 1.00 0.00 N ATOM 1353 CA GLU A 83 9.155 -3.162 -9.960 1.00 0.00 C ATOM 1354 C GLU A 83 9.651 -2.021 -9.120 1.00 0.00 C ATOM 1355 O GLU A 83 9.328 -0.869 -9.403 1.00 0.00 O ATOM 1356 CB GLU A 83 9.444 -2.890 -11.426 1.00 0.00 C ATOM 1357 CG GLU A 83 8.957 -3.985 -12.360 1.00 0.00 C ATOM 1358 CD GLU A 83 9.322 -3.740 -13.801 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.476 -4.024 -14.176 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.461 -3.288 -14.591 1.00 0.00 O ATOM 0 H GLU A 83 7.248 -2.403 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 83 9.649 -4.097 -9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.976 -1.948 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.519 -2.764 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.378 -4.939 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.874 -4.071 -12.276 1.00 0.00 H new ATOM 1367 N ILE A 84 10.346 -2.310 -8.046 1.00 0.00 N ATOM 1368 CA ILE A 84 10.817 -1.239 -7.198 1.00 0.00 C ATOM 1369 C ILE A 84 11.953 -0.489 -7.847 1.00 0.00 C ATOM 1370 O ILE A 84 12.616 -0.988 -8.771 1.00 0.00 O ATOM 1371 CB ILE A 84 11.277 -1.666 -5.786 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.558 -2.487 -5.843 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.175 -2.428 -5.061 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.329 -2.427 -4.558 1.00 0.00 C ATOM 0 H ILE A 84 10.594 -3.252 -7.743 1.00 0.00 H new ATOM 0 HA ILE A 84 9.937 -0.608 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 84 11.491 -0.759 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.312 -3.525 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.184 -2.123 -6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.524 -2.717 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.295 -1.792 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.916 -3.321 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.234 -3.028 -4.648 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.600 -1.393 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.714 -2.816 -3.746 1.00 0.00 H new ATOM 1386 N ASP A 85 12.162 0.697 -7.393 1.00 0.00 N ATOM 1387 CA ASP A 85 13.287 1.470 -7.833 1.00 0.00 C ATOM 1388 C ASP A 85 14.372 1.225 -6.838 1.00 0.00 C ATOM 1389 O ASP A 85 14.321 1.732 -5.715 1.00 0.00 O ATOM 1390 CB ASP A 85 12.952 2.955 -7.944 1.00 0.00 C ATOM 1391 CG ASP A 85 14.071 3.762 -8.534 1.00 0.00 C ATOM 1392 OD1 ASP A 85 14.628 3.348 -9.576 1.00 0.00 O ATOM 1393 OD2 ASP A 85 14.374 4.837 -8.018 1.00 0.00 O ATOM 0 H ASP A 85 11.566 1.163 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 85 13.595 1.170 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.060 3.076 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.713 3.344 -6.954 1.00 0.00 H new ATOM 1398 N TYR A 86 15.291 0.375 -7.229 1.00 0.00 N ATOM 1399 CA TYR A 86 16.362 -0.146 -6.379 1.00 0.00 C ATOM 1400 C TYR A 86 17.133 0.960 -5.685 1.00 0.00 C ATOM 1401 O TYR A 86 17.391 0.888 -4.486 1.00 0.00 O ATOM 1402 CB TYR A 86 17.275 -1.047 -7.211 1.00 0.00 C ATOM 1403 CG TYR A 86 16.505 -2.147 -7.912 1.00 0.00 C ATOM 1404 CD1 TYR A 86 16.086 -3.278 -7.223 1.00 0.00 C ATOM 1405 CD2 TYR A 86 16.161 -2.033 -9.254 1.00 0.00 C ATOM 1406 CE1 TYR A 86 15.359 -4.269 -7.853 1.00 0.00 C ATOM 1407 CE2 TYR A 86 15.428 -3.013 -9.890 1.00 0.00 C ATOM 1408 CZ TYR A 86 15.028 -4.128 -9.186 1.00 0.00 C ATOM 1409 OH TYR A 86 14.293 -5.104 -9.815 1.00 0.00 O ATOM 0 H TYR A 86 15.324 0.007 -8.180 1.00 0.00 H new ATOM 0 HA TYR A 86 15.915 -0.739 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.801 -0.445 -7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.033 -1.490 -6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.333 -3.384 -6.177 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.474 -1.161 -9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.051 -5.148 -7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.169 -2.907 -10.933 1.00 0.00 H new ATOM 0 HH TYR A 86 14.145 -4.851 -10.750 1.00 0.00 H new ATOM 1419 N ASP A 87 17.469 1.969 -6.425 1.00 0.00 N ATOM 1420 CA ASP A 87 18.099 3.145 -5.876 1.00 0.00 C ATOM 1421 C ASP A 87 17.175 4.307 -6.072 1.00 0.00 C ATOM 1422 O ASP A 87 17.228 4.973 -7.103 1.00 0.00 O ATOM 1423 CB ASP A 87 19.463 3.450 -6.529 1.00 0.00 C ATOM 1424 CG ASP A 87 20.578 2.545 -6.077 1.00 0.00 C ATOM 1425 OD1 ASP A 87 20.656 1.385 -6.525 1.00 0.00 O ATOM 1426 OD2 ASP A 87 21.422 2.983 -5.270 1.00 0.00 O ATOM 0 H ASP A 87 17.317 2.008 -7.433 1.00 0.00 H new ATOM 0 HA ASP A 87 18.291 2.966 -4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.361 3.370 -7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.736 4.482 -6.310 1.00 0.00 H new ATOM 1431 N SER A 88 16.297 4.525 -5.116 1.00 0.00 N ATOM 1432 CA SER A 88 15.326 5.590 -5.207 1.00 0.00 C ATOM 1433 C SER A 88 16.024 6.914 -4.968 1.00 0.00 C ATOM 1434 O SER A 88 16.449 7.213 -3.842 1.00 0.00 O ATOM 1435 CB SER A 88 14.186 5.361 -4.214 1.00 0.00 C ATOM 1436 OG SER A 88 13.544 4.106 -4.467 1.00 0.00 O ATOM 0 H SER A 88 16.238 3.973 -4.261 1.00 0.00 H new ATOM 0 HA SER A 88 14.883 5.606 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.574 5.379 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.460 6.170 -4.292 1.00 0.00 H new ATOM 0 HG SER A 88 14.138 3.536 -5.000 1.00 0.00 H new ATOM 1442 N LEU A 89 16.224 7.651 -6.064 1.00 0.00 N ATOM 1443 CA LEU A 89 16.962 8.911 -6.127 1.00 0.00 C ATOM 1444 C LEU A 89 18.462 8.644 -6.146 1.00 0.00 C ATOM 1445 O LEU A 89 19.193 9.279 -6.912 1.00 0.00 O ATOM 1446 CB LEU A 89 16.571 9.914 -5.017 1.00 0.00 C ATOM 1447 CG LEU A 89 17.326 11.250 -5.013 1.00 0.00 C ATOM 1448 CD1 LEU A 89 17.087 12.013 -6.302 1.00 0.00 C ATOM 1449 CD2 LEU A 89 16.922 12.087 -3.816 1.00 0.00 C ATOM 0 H LEU A 89 15.857 7.370 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 89 16.679 9.396 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.505 10.123 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.723 9.432 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 89 18.392 11.035 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 89 17.633 12.956 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 89 17.434 11.418 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 89 16.022 12.214 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.468 13.030 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.851 12.287 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 89 17.156 11.547 -2.899 1.00 0.00 H new ATOM 1461 N LYS A 90 18.884 7.660 -5.354 1.00 0.00 N ATOM 1462 CA LYS A 90 20.266 7.261 -5.205 1.00 0.00 C ATOM 1463 C LYS A 90 21.026 8.343 -4.458 1.00 0.00 C ATOM 1464 O LYS A 90 21.671 9.207 -5.049 1.00 0.00 O ATOM 1465 CB LYS A 90 20.931 6.885 -6.554 1.00 0.00 C ATOM 1466 CG LYS A 90 22.401 6.544 -6.460 1.00 0.00 C ATOM 1467 CD LYS A 90 22.998 6.300 -7.828 1.00 0.00 C ATOM 1468 CE LYS A 90 24.514 6.249 -7.759 1.00 0.00 C ATOM 1469 NZ LYS A 90 25.069 7.512 -7.197 1.00 0.00 N ATOM 0 H LYS A 90 18.246 7.106 -4.783 1.00 0.00 H new ATOM 0 HA LYS A 90 20.298 6.346 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 90 20.401 6.033 -6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.808 7.716 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 90 22.934 7.358 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 90 22.532 5.657 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 90 22.617 5.362 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 90 22.688 7.091 -8.510 1.00 0.00 H new ATOM 0 HE2 LYS A 90 24.825 5.406 -7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 90 24.921 6.082 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.044 7.643 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.485 8.315 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 25.066 7.461 -6.158 1.00 0.00 H new ATOM 1483 N LEU A 91 20.873 8.333 -3.170 1.00 0.00 N ATOM 1484 CA LEU A 91 21.492 9.312 -2.324 1.00 0.00 C ATOM 1485 C LEU A 91 22.107 8.633 -1.122 1.00 0.00 C ATOM 1486 O LEU A 91 21.713 7.508 -0.761 1.00 0.00 O ATOM 1487 CB LEU A 91 20.484 10.414 -1.869 1.00 0.00 C ATOM 1488 CG LEU A 91 19.317 10.011 -0.918 1.00 0.00 C ATOM 1489 CD1 LEU A 91 18.598 11.254 -0.433 1.00 0.00 C ATOM 1490 CD2 LEU A 91 18.311 9.091 -1.600 1.00 0.00 C ATOM 0 H LEU A 91 20.312 7.642 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 91 22.272 9.808 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 91 21.055 11.202 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.044 10.851 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 91 19.755 9.471 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 91 17.783 10.967 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 91 19.298 11.892 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 91 18.195 11.798 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 91 17.516 8.837 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 91 17.883 9.597 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 91 18.813 8.180 -1.925 1.00 0.00 H new ATOM 1502 N LYS A 92 23.092 9.271 -0.558 1.00 0.00 N ATOM 1503 CA LYS A 92 23.756 8.822 0.638 1.00 0.00 C ATOM 1504 C LYS A 92 24.424 10.007 1.316 1.00 0.00 C ATOM 1505 O LYS A 92 25.494 10.460 0.897 1.00 0.00 O ATOM 1506 CB LYS A 92 24.748 7.652 0.381 1.00 0.00 C ATOM 1507 CG LYS A 92 25.761 7.863 -0.751 1.00 0.00 C ATOM 1508 CD LYS A 92 26.770 6.717 -0.814 1.00 0.00 C ATOM 1509 CE LYS A 92 26.100 5.363 -1.051 1.00 0.00 C ATOM 1510 NZ LYS A 92 27.073 4.248 -0.987 1.00 0.00 N ATOM 0 H LYS A 92 23.469 10.144 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 92 23.004 8.408 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.298 7.460 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.170 6.754 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 92 25.235 7.940 -1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 92 26.287 8.806 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 92 27.486 6.910 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 92 27.335 6.682 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 92 25.320 5.208 -0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.613 5.364 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 26.580 3.347 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 27.803 4.382 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 27.520 4.231 -0.048 1.00 0.00 H new ATOM 1524 N LYS A 93 23.717 10.561 2.300 1.00 0.00 N ATOM 1525 CA LYS A 93 24.141 11.717 3.095 1.00 0.00 C ATOM 1526 C LYS A 93 23.980 13.001 2.300 1.00 0.00 C ATOM 1527 O LYS A 93 23.588 12.968 1.119 1.00 0.00 O ATOM 1528 CB LYS A 93 25.570 11.557 3.649 1.00 0.00 C ATOM 1529 CG LYS A 93 25.718 10.379 4.587 1.00 0.00 C ATOM 1530 CD LYS A 93 27.153 10.157 5.002 1.00 0.00 C ATOM 1531 CE LYS A 93 27.248 8.938 5.890 1.00 0.00 C ATOM 1532 NZ LYS A 93 28.630 8.618 6.276 1.00 0.00 N ATOM 0 H LYS A 93 22.801 10.207 2.577 1.00 0.00 H new ATOM 0 HA LYS A 93 23.486 11.775 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 93 26.264 11.440 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 93 25.853 12.469 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 93 25.106 10.544 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 93 25.339 9.480 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 93 27.780 10.025 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 93 27.528 11.033 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 93 26.654 9.102 6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.813 8.083 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 28.634 7.774 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 29.195 8.433 5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 29.040 9.420 6.795 1.00 0.00 H new ATOM 1546 N ASP A 94 24.226 14.120 2.938 1.00 0.00 N ATOM 1547 CA ASP A 94 24.119 15.431 2.287 1.00 0.00 C ATOM 1548 C ASP A 94 25.476 16.071 2.197 1.00 0.00 C ATOM 1549 O ASP A 94 25.612 17.294 2.117 1.00 0.00 O ATOM 1550 CB ASP A 94 23.145 16.354 3.035 1.00 0.00 C ATOM 1551 CG ASP A 94 21.717 15.891 2.943 1.00 0.00 C ATOM 1552 OD1 ASP A 94 21.143 15.884 1.818 1.00 0.00 O ATOM 1553 OD2 ASP A 94 21.126 15.539 3.977 1.00 0.00 O ATOM 0 H ASP A 94 24.505 14.162 3.918 1.00 0.00 H new ATOM 0 HA ASP A 94 23.725 15.277 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 94 23.437 16.410 4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 94 23.222 17.362 2.628 1.00 0.00 H new ATOM 1558 N LEU A 95 26.473 15.227 2.129 1.00 0.00 N ATOM 1559 CA LEU A 95 27.863 15.626 2.079 1.00 0.00 C ATOM 1560 C LEU A 95 28.168 16.300 0.736 1.00 0.00 C ATOM 1561 O LEU A 95 29.009 17.207 0.641 1.00 0.00 O ATOM 1562 CB LEU A 95 28.729 14.373 2.242 1.00 0.00 C ATOM 1563 CG LEU A 95 30.220 14.596 2.410 1.00 0.00 C ATOM 1564 CD1 LEU A 95 30.480 15.319 3.711 1.00 0.00 C ATOM 1565 CD2 LEU A 95 30.962 13.272 2.370 1.00 0.00 C ATOM 0 H LEU A 95 26.341 14.216 2.106 1.00 0.00 H new ATOM 0 HA LEU A 95 28.076 16.337 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 95 28.367 13.819 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 95 28.576 13.737 1.370 1.00 0.00 H new ATOM 0 HG LEU A 95 30.586 15.210 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 95 31.552 15.479 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 95 29.969 16.282 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 95 30.108 14.719 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 95 32.030 13.450 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.606 12.631 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 95 30.783 12.783 1.412 1.00 0.00 H new ATOM 1577 N GLU A 96 27.475 15.859 -0.276 1.00 0.00 N ATOM 1578 CA GLU A 96 27.636 16.352 -1.617 1.00 0.00 C ATOM 1579 C GLU A 96 26.493 17.301 -1.942 1.00 0.00 C ATOM 1580 O GLU A 96 26.670 18.524 -1.809 1.00 0.00 O ATOM 1581 CB GLU A 96 27.651 15.180 -2.586 1.00 0.00 C ATOM 1582 CG GLU A 96 28.759 14.183 -2.303 1.00 0.00 C ATOM 1583 CD GLU A 96 28.649 12.957 -3.152 1.00 0.00 C ATOM 1584 OE1 GLU A 96 29.088 12.981 -4.320 1.00 0.00 O ATOM 1585 OE2 GLU A 96 28.124 11.936 -2.673 1.00 0.00 O ATOM 1586 OXT GLU A 96 25.375 16.826 -2.260 1.00 0.00 O ATOM 0 H GLU A 96 26.766 15.130 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 96 28.578 16.892 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.690 14.668 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.763 15.559 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.725 14.657 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 96 28.729 13.898 -1.251 1.00 0.00 H new TER 1593 GLU A 96