USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 940 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 48 TYR OH : rot 43:sc= 1.17 USER MOD Set 1.2: B 38 ASN : amide:sc= 0.779 K(o=2,f=0.34) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -0.0377 (180deg=-0.192) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0654) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0732) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 20 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc=-0.00756 (180deg=-0.125) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.276 (180deg=-0.957) USER MOD Single : A 27 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.8!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 41 MET CE :methyl 150:sc= -5.95! (180deg=-7.3!) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= 1.26 (180deg=1.11) USER MOD Single : A 47 THR OG1 : rot 66:sc= 0.558 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.63) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.568) USER MOD Single : A 60 SER OG : rot 73:sc= 0.0741 USER MOD Single : A 61 THR OG1 : rot 160:sc= 0.163 USER MOD Single : B 9 LYS NZ :NH3+ 167:sc=-0.00695 (180deg=-0.218) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0437) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -0.0875 K(o=-0.087,f=-1!) USER MOD Single : B 18 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : B 20 THR OG1 : rot 77:sc= 1.29 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl -157:sc= -0.154 (180deg=-0.86) USER MOD Single : B 27 HIS : no HE2:sc= 0.879 K(o=0.88,f=-2.7!) USER MOD Single : B 35 THR OG1 : rot 58:sc= 1.1 USER MOD Single : B 41 MET CE :methyl -128:sc= -1.12 (180deg=-1.68) USER MOD Single : B 46 LYS NZ :NH3+ 149:sc= 1.29 (180deg=0.4) USER MOD Single : B 47 THR OG1 : rot 66:sc= 1.23 USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 TYR OH : rot 30:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.53) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 29.414 -9.035 -13.201 1.00 0.00 N ATOM 54 CA ALA A 5 28.768 -9.997 -12.309 1.00 0.00 C ATOM 55 C ALA A 5 29.055 -9.697 -10.843 1.00 0.00 C ATOM 56 O ALA A 5 28.242 -10.004 -9.974 1.00 0.00 O ATOM 57 CB ALA A 5 29.219 -11.407 -12.651 1.00 0.00 C ATOM 0 HA ALA A 5 27.691 -9.912 -12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 5 28.733 -12.117 -11.982 1.00 0.00 H new ATOM 0 HB2 ALA A 5 28.948 -11.636 -13.682 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.300 -11.481 -12.535 1.00 0.00 H new ATOM 63 N GLU A 6 30.206 -9.097 -10.573 1.00 0.00 N ATOM 64 CA GLU A 6 30.574 -8.736 -9.212 1.00 0.00 C ATOM 65 C GLU A 6 29.594 -7.719 -8.639 1.00 0.00 C ATOM 66 O GLU A 6 29.061 -7.903 -7.542 1.00 0.00 O ATOM 67 CB GLU A 6 31.989 -8.162 -9.179 1.00 0.00 C ATOM 68 CG GLU A 6 33.037 -9.084 -9.776 1.00 0.00 C ATOM 69 CD GLU A 6 33.168 -10.388 -9.018 1.00 0.00 C ATOM 70 OE1 GLU A 6 33.751 -10.379 -7.914 1.00 0.00 O ATOM 71 OE2 GLU A 6 32.705 -11.431 -9.529 1.00 0.00 O ATOM 0 H GLU A 6 30.900 -8.850 -11.278 1.00 0.00 H new ATOM 0 HA GLU A 6 30.539 -9.638 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.000 -7.216 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.258 -7.942 -8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.780 -9.296 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 6 34.001 -8.575 -9.784 1.00 0.00 H new ATOM 78 N GLU A 7 29.362 -6.652 -9.392 1.00 0.00 N ATOM 79 CA GLU A 7 28.403 -5.628 -9.005 1.00 0.00 C ATOM 80 C GLU A 7 27.009 -6.228 -8.968 1.00 0.00 C ATOM 81 O GLU A 7 26.231 -5.992 -8.049 1.00 0.00 O ATOM 82 CB GLU A 7 28.434 -4.481 -10.018 1.00 0.00 C ATOM 83 CG GLU A 7 27.534 -3.307 -9.660 1.00 0.00 C ATOM 84 CD GLU A 7 28.080 -2.467 -8.524 1.00 0.00 C ATOM 85 OE1 GLU A 7 28.160 -2.967 -7.385 1.00 0.00 O ATOM 86 OE2 GLU A 7 28.434 -1.295 -8.771 1.00 0.00 O ATOM 0 H GLU A 7 29.829 -6.473 -10.281 1.00 0.00 H new ATOM 0 HA GLU A 7 28.664 -5.246 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.459 -4.123 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.139 -4.866 -10.994 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.401 -2.677 -10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 7 26.548 -3.683 -9.386 1.00 0.00 H new ATOM 93 N LEU A 8 26.726 -7.030 -9.979 1.00 0.00 N ATOM 94 CA LEU A 8 25.428 -7.644 -10.156 1.00 0.00 C ATOM 95 C LEU A 8 25.056 -8.531 -8.975 1.00 0.00 C ATOM 96 O LEU A 8 23.959 -8.429 -8.436 1.00 0.00 O ATOM 97 CB LEU A 8 25.435 -8.456 -11.448 1.00 0.00 C ATOM 98 CG LEU A 8 24.941 -7.718 -12.696 1.00 0.00 C ATOM 99 CD1 LEU A 8 25.631 -6.373 -12.848 1.00 0.00 C ATOM 100 CD2 LEU A 8 25.171 -8.574 -13.929 1.00 0.00 C ATOM 0 H LEU A 8 27.399 -7.274 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 8 24.677 -6.856 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.452 -8.804 -11.632 1.00 0.00 H new ATOM 0 HB3 LEU A 8 24.816 -9.342 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 8 23.873 -7.534 -12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 8 25.260 -5.873 -13.742 1.00 0.00 H new ATOM 0 HD12 LEU A 8 25.422 -5.756 -11.974 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.707 -6.524 -12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 8 24.817 -8.042 -14.812 1.00 0.00 H new ATOM 0 HD22 LEU A 8 26.236 -8.783 -14.034 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.626 -9.512 -13.828 1.00 0.00 H new ATOM 112 N LYS A 9 25.979 -9.381 -8.563 1.00 0.00 N ATOM 113 CA LYS A 9 25.727 -10.334 -7.492 1.00 0.00 C ATOM 114 C LYS A 9 25.527 -9.624 -6.168 1.00 0.00 C ATOM 115 O LYS A 9 24.620 -9.961 -5.404 1.00 0.00 O ATOM 116 CB LYS A 9 26.899 -11.312 -7.393 1.00 0.00 C ATOM 117 CG LYS A 9 26.529 -12.674 -6.837 1.00 0.00 C ATOM 118 CD LYS A 9 25.559 -13.399 -7.756 1.00 0.00 C ATOM 119 CE LYS A 9 25.280 -14.812 -7.276 1.00 0.00 C ATOM 120 NZ LYS A 9 24.797 -14.840 -5.872 1.00 0.00 N ATOM 0 H LYS A 9 26.919 -9.432 -8.957 1.00 0.00 H new ATOM 0 HA LYS A 9 24.813 -10.882 -7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.333 -11.443 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 9 27.672 -10.873 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.430 -13.274 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.081 -12.557 -5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.624 -12.842 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 9 25.969 -13.432 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.536 -15.274 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.189 -15.408 -7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.460 -15.796 -5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.575 -14.583 -5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 24.017 -14.161 -5.759 1.00 0.00 H new ATOM 134 N ALA A 10 26.362 -8.641 -5.904 1.00 0.00 N ATOM 135 CA ALA A 10 26.251 -7.879 -4.681 1.00 0.00 C ATOM 136 C ALA A 10 24.972 -7.055 -4.685 1.00 0.00 C ATOM 137 O ALA A 10 24.230 -7.047 -3.708 1.00 0.00 O ATOM 138 CB ALA A 10 27.466 -6.982 -4.501 1.00 0.00 C ATOM 0 H ALA A 10 27.123 -8.352 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 10 26.211 -8.573 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.366 -6.415 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 10 28.367 -7.594 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 10 27.537 -6.293 -5.342 1.00 0.00 H new ATOM 144 N LYS A 11 24.695 -6.405 -5.811 1.00 0.00 N ATOM 145 CA LYS A 11 23.548 -5.508 -5.923 1.00 0.00 C ATOM 146 C LYS A 11 22.246 -6.294 -5.927 1.00 0.00 C ATOM 147 O LYS A 11 21.254 -5.855 -5.353 1.00 0.00 O ATOM 148 CB LYS A 11 23.638 -4.678 -7.204 1.00 0.00 C ATOM 149 CG LYS A 11 22.693 -3.490 -7.221 1.00 0.00 C ATOM 150 CD LYS A 11 22.674 -2.800 -8.573 1.00 0.00 C ATOM 151 CE LYS A 11 21.725 -1.614 -8.566 1.00 0.00 C ATOM 152 NZ LYS A 11 22.238 -0.496 -7.729 1.00 0.00 N ATOM 0 H LYS A 11 25.251 -6.483 -6.662 1.00 0.00 H new ATOM 0 HA LYS A 11 23.561 -4.843 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.661 -4.321 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.420 -5.318 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.686 -3.824 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.993 -2.776 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 11 23.679 -2.464 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 11 22.370 -3.509 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.575 -1.263 -9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.752 -1.931 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.633 0.340 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.229 -0.779 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.211 -0.266 -8.015 1.00 0.00 H new ATOM 166 N LEU A 12 22.248 -7.447 -6.590 1.00 0.00 N ATOM 167 CA LEU A 12 21.082 -8.327 -6.570 1.00 0.00 C ATOM 168 C LEU A 12 20.769 -8.714 -5.138 1.00 0.00 C ATOM 169 O LEU A 12 19.615 -8.671 -4.718 1.00 0.00 O ATOM 170 CB LEU A 12 21.296 -9.590 -7.413 1.00 0.00 C ATOM 171 CG LEU A 12 20.092 -10.538 -7.477 1.00 0.00 C ATOM 172 CD1 LEU A 12 18.875 -9.820 -8.041 1.00 0.00 C ATOM 173 CD2 LEU A 12 20.425 -11.756 -8.323 1.00 0.00 C ATOM 0 H LEU A 12 23.034 -7.792 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 12 20.245 -7.782 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.558 -9.291 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.149 -10.137 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 12 19.859 -10.868 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.031 -10.509 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.624 -8.973 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.097 -9.463 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 12 19.562 -12.420 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 12 20.682 -11.438 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.271 -12.284 -7.883 1.00 0.00 H new ATOM 185 N LYS A 13 21.804 -9.085 -4.387 1.00 0.00 N ATOM 186 CA LYS A 13 21.634 -9.358 -2.962 1.00 0.00 C ATOM 187 C LYS A 13 21.095 -8.124 -2.242 1.00 0.00 C ATOM 188 O LYS A 13 20.183 -8.217 -1.422 1.00 0.00 O ATOM 189 CB LYS A 13 22.953 -9.772 -2.311 1.00 0.00 C ATOM 190 CG LYS A 13 22.751 -10.341 -0.914 1.00 0.00 C ATOM 191 CD LYS A 13 24.057 -10.710 -0.239 1.00 0.00 C ATOM 192 CE LYS A 13 23.799 -11.283 1.145 1.00 0.00 C ATOM 193 NZ LYS A 13 25.047 -11.720 1.818 1.00 0.00 N ATOM 0 H LYS A 13 22.756 -9.202 -4.735 1.00 0.00 H new ATOM 0 HA LYS A 13 20.923 -10.180 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 13 23.447 -10.516 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 13 23.616 -8.909 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 13 22.224 -9.610 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 22.115 -11.224 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 13 24.594 -11.439 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 13 24.694 -9.829 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 13 23.302 -10.532 1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 13 23.118 -12.130 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 24.819 -12.103 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 25.510 -12.456 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.688 -10.908 1.922 1.00 0.00 H new ATOM 207 N LYS A 14 21.678 -6.975 -2.560 1.00 0.00 N ATOM 208 CA LYS A 14 21.276 -5.703 -1.963 1.00 0.00 C ATOM 209 C LYS A 14 19.795 -5.413 -2.204 1.00 0.00 C ATOM 210 O LYS A 14 19.047 -5.137 -1.263 1.00 0.00 O ATOM 211 CB LYS A 14 22.146 -4.561 -2.510 1.00 0.00 C ATOM 212 CG LYS A 14 23.610 -4.681 -2.118 1.00 0.00 C ATOM 213 CD LYS A 14 23.773 -5.038 -0.648 1.00 0.00 C ATOM 214 CE LYS A 14 23.433 -3.876 0.268 1.00 0.00 C ATOM 215 NZ LYS A 14 24.473 -2.819 0.218 1.00 0.00 N ATOM 0 H LYS A 14 22.439 -6.896 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 14 21.425 -5.776 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 22.068 -4.543 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.756 -3.610 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 14 24.090 -5.443 -2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 14 24.120 -3.739 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 14 23.131 -5.886 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 14 24.800 -5.354 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 14 22.470 -3.454 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 14 23.329 -4.237 1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.309 -2.134 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 25.412 -3.250 0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 24.427 -2.330 -0.699 1.00 0.00 H new ATOM 229 N LEU A 15 19.375 -5.494 -3.460 1.00 0.00 N ATOM 230 CA LEU A 15 17.972 -5.291 -3.815 1.00 0.00 C ATOM 231 C LEU A 15 17.097 -6.364 -3.175 1.00 0.00 C ATOM 232 O LEU A 15 15.996 -6.081 -2.702 1.00 0.00 O ATOM 233 CB LEU A 15 17.787 -5.305 -5.338 1.00 0.00 C ATOM 234 CG LEU A 15 17.884 -3.942 -6.038 1.00 0.00 C ATOM 235 CD1 LEU A 15 16.864 -2.972 -5.470 1.00 0.00 C ATOM 236 CD2 LEU A 15 19.284 -3.366 -5.920 1.00 0.00 C ATOM 0 H LEU A 15 19.984 -5.699 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 15 17.667 -4.315 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.537 -5.968 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.812 -5.738 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 15 17.666 -4.094 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.951 -2.013 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.861 -3.372 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.047 -2.834 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.324 -2.401 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.537 -3.236 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 15 19.998 -4.047 -6.383 1.00 0.00 H new ATOM 248 N ASN A 16 17.602 -7.592 -3.162 1.00 0.00 N ATOM 249 CA ASN A 16 16.904 -8.721 -2.549 1.00 0.00 C ATOM 250 C ASN A 16 16.635 -8.444 -1.073 1.00 0.00 C ATOM 251 O ASN A 16 15.524 -8.649 -0.578 1.00 0.00 O ATOM 252 CB ASN A 16 17.748 -9.992 -2.698 1.00 0.00 C ATOM 253 CG ASN A 16 17.014 -11.251 -2.286 1.00 0.00 C ATOM 254 OD1 ASN A 16 17.041 -11.652 -1.120 1.00 0.00 O ATOM 255 ND2 ASN A 16 16.373 -11.896 -3.249 1.00 0.00 N ATOM 0 H ASN A 16 18.503 -7.835 -3.574 1.00 0.00 H new ATOM 0 HA ASN A 16 15.949 -8.861 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 16 18.066 -10.089 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 16 18.651 -9.893 -2.096 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.875 -12.761 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.377 -11.527 -4.200 1.00 0.00 H new ATOM 262 N ALA A 17 17.660 -7.962 -0.380 1.00 0.00 N ATOM 263 CA ALA A 17 17.550 -7.626 1.034 1.00 0.00 C ATOM 264 C ALA A 17 16.559 -6.485 1.249 1.00 0.00 C ATOM 265 O ALA A 17 15.776 -6.503 2.201 1.00 0.00 O ATOM 266 CB ALA A 17 18.913 -7.255 1.602 1.00 0.00 C ATOM 0 H ALA A 17 18.584 -7.794 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 17 17.179 -8.505 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 17 18.812 -7.007 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.595 -8.098 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 17 19.309 -6.394 1.064 1.00 0.00 H new ATOM 272 N GLN A 18 16.601 -5.501 0.356 1.00 0.00 N ATOM 273 CA GLN A 18 15.690 -4.364 0.414 1.00 0.00 C ATOM 274 C GLN A 18 14.246 -4.832 0.262 1.00 0.00 C ATOM 275 O GLN A 18 13.373 -4.456 1.045 1.00 0.00 O ATOM 276 CB GLN A 18 16.037 -3.350 -0.679 1.00 0.00 C ATOM 277 CG GLN A 18 15.238 -2.057 -0.594 1.00 0.00 C ATOM 278 CD GLN A 18 15.593 -1.068 -1.691 1.00 0.00 C ATOM 279 OE1 GLN A 18 14.759 -0.269 -2.121 1.00 0.00 O ATOM 280 NE2 GLN A 18 16.834 -1.108 -2.151 1.00 0.00 N ATOM 0 H GLN A 18 17.261 -5.469 -0.421 1.00 0.00 H new ATOM 0 HA GLN A 18 15.798 -3.881 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.099 -3.114 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 18 15.867 -3.808 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.174 -2.289 -0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.411 -1.592 0.377 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.497 -1.783 -1.771 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.127 -0.464 -2.885 1.00 0.00 H new ATOM 289 N ALA A 19 14.006 -5.672 -0.740 1.00 0.00 N ATOM 290 CA ALA A 19 12.675 -6.209 -0.990 1.00 0.00 C ATOM 291 C ALA A 19 12.192 -7.048 0.188 1.00 0.00 C ATOM 292 O ALA A 19 11.024 -6.984 0.561 1.00 0.00 O ATOM 293 CB ALA A 19 12.668 -7.028 -2.273 1.00 0.00 C ATOM 0 H ALA A 19 14.719 -5.996 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 19 11.986 -5.372 -1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.667 -7.423 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.959 -6.394 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.373 -7.854 -2.181 1.00 0.00 H new ATOM 299 N THR A 20 13.098 -7.815 0.782 1.00 0.00 N ATOM 300 CA THR A 20 12.763 -8.656 1.921 1.00 0.00 C ATOM 301 C THR A 20 12.357 -7.800 3.130 1.00 0.00 C ATOM 302 O THR A 20 11.418 -8.135 3.860 1.00 0.00 O ATOM 303 CB THR A 20 13.949 -9.567 2.300 1.00 0.00 C ATOM 304 OG1 THR A 20 14.338 -10.353 1.165 1.00 0.00 O ATOM 305 CG2 THR A 20 13.585 -10.485 3.453 1.00 0.00 C ATOM 0 H THR A 20 14.074 -7.871 0.491 1.00 0.00 H new ATOM 0 HA THR A 20 11.918 -9.282 1.634 1.00 0.00 H new ATOM 0 HB THR A 20 14.779 -8.934 2.612 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.883 -9.807 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.439 -11.116 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.313 -9.887 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.741 -11.112 3.166 1.00 0.00 H new ATOM 313 N ALA A 21 13.053 -6.680 3.317 1.00 0.00 N ATOM 314 CA ALA A 21 12.762 -5.769 4.420 1.00 0.00 C ATOM 315 C ALA A 21 11.344 -5.216 4.307 1.00 0.00 C ATOM 316 O ALA A 21 10.610 -5.148 5.293 1.00 0.00 O ATOM 317 CB ALA A 21 13.777 -4.635 4.449 1.00 0.00 C ATOM 0 H ALA A 21 13.823 -6.382 2.718 1.00 0.00 H new ATOM 0 HA ALA A 21 12.835 -6.326 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.548 -3.963 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.778 -5.046 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.733 -4.083 3.510 1.00 0.00 H new ATOM 323 N LEU A 22 10.961 -4.828 3.097 1.00 0.00 N ATOM 324 CA LEU A 22 9.613 -4.325 2.849 1.00 0.00 C ATOM 325 C LEU A 22 8.587 -5.455 2.918 1.00 0.00 C ATOM 326 O LEU A 22 7.482 -5.265 3.417 1.00 0.00 O ATOM 327 CB LEU A 22 9.531 -3.625 1.487 1.00 0.00 C ATOM 328 CG LEU A 22 9.964 -2.150 1.464 1.00 0.00 C ATOM 329 CD1 LEU A 22 9.137 -1.330 2.443 1.00 0.00 C ATOM 330 CD2 LEU A 22 11.445 -2.006 1.771 1.00 0.00 C ATOM 0 H LEU A 22 11.562 -4.851 2.273 1.00 0.00 H new ATOM 0 HA LEU A 22 9.383 -3.598 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.149 -4.176 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.503 -3.688 1.129 1.00 0.00 H new ATOM 0 HG LEU A 22 9.789 -1.769 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.460 -0.290 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.084 -1.391 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.274 -1.721 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.721 -0.952 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.653 -2.413 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.026 -2.550 1.026 1.00 0.00 H new ATOM 342 N LYS A 23 8.973 -6.628 2.427 1.00 0.00 N ATOM 343 CA LYS A 23 8.105 -7.807 2.431 1.00 0.00 C ATOM 344 C LYS A 23 7.606 -8.129 3.841 1.00 0.00 C ATOM 345 O LYS A 23 6.408 -8.326 4.056 1.00 0.00 O ATOM 346 CB LYS A 23 8.863 -9.005 1.841 1.00 0.00 C ATOM 347 CG LYS A 23 8.091 -10.316 1.858 1.00 0.00 C ATOM 348 CD LYS A 23 8.821 -11.395 1.071 1.00 0.00 C ATOM 349 CE LYS A 23 8.116 -12.741 1.160 1.00 0.00 C ATOM 350 NZ LYS A 23 8.159 -13.305 2.534 1.00 0.00 N ATOM 0 H LYS A 23 9.892 -6.791 2.016 1.00 0.00 H new ATOM 0 HA LYS A 23 7.231 -7.594 1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.137 -8.773 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.792 -9.139 2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.951 -10.645 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.098 -10.162 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.896 -11.093 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.839 -11.493 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.078 -12.627 0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.583 -13.441 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.837 -14.294 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.133 -13.265 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.536 -12.751 3.156 1.00 0.00 H new ATOM 364 N MET A 24 8.520 -8.163 4.803 1.00 0.00 N ATOM 365 CA MET A 24 8.152 -8.481 6.179 1.00 0.00 C ATOM 366 C MET A 24 7.449 -7.302 6.854 1.00 0.00 C ATOM 367 O MET A 24 6.599 -7.490 7.728 1.00 0.00 O ATOM 368 CB MET A 24 9.381 -8.898 6.998 1.00 0.00 C ATOM 369 CG MET A 24 10.440 -7.815 7.135 1.00 0.00 C ATOM 370 SD MET A 24 11.795 -8.306 8.220 1.00 0.00 S ATOM 371 CE MET A 24 10.918 -8.549 9.767 1.00 0.00 C ATOM 0 H MET A 24 9.512 -7.976 4.659 1.00 0.00 H new ATOM 0 HA MET A 24 7.457 -9.320 6.141 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.054 -9.198 7.994 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.833 -9.774 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.838 -7.574 6.149 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.978 -6.907 7.524 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.611 -8.433 10.600 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.121 -7.811 9.853 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.489 -9.551 9.788 1.00 0.00 H new ATOM 381 N ASP A 25 7.802 -6.089 6.439 1.00 0.00 N ATOM 382 CA ASP A 25 7.214 -4.882 7.015 1.00 0.00 C ATOM 383 C ASP A 25 5.756 -4.760 6.589 1.00 0.00 C ATOM 384 O ASP A 25 4.880 -4.491 7.408 1.00 0.00 O ATOM 385 CB ASP A 25 7.994 -3.636 6.574 1.00 0.00 C ATOM 386 CG ASP A 25 7.726 -2.427 7.454 1.00 0.00 C ATOM 387 OD1 ASP A 25 6.549 -2.102 7.705 1.00 0.00 O ATOM 388 OD2 ASP A 25 8.705 -1.797 7.915 1.00 0.00 O ATOM 0 H ASP A 25 8.491 -5.915 5.707 1.00 0.00 H new ATOM 0 HA ASP A 25 7.266 -4.956 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.061 -3.858 6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.731 -3.395 5.544 1.00 0.00 H new ATOM 393 N LEU A 26 5.507 -4.996 5.303 1.00 0.00 N ATOM 394 CA LEU A 26 4.168 -4.884 4.734 1.00 0.00 C ATOM 395 C LEU A 26 3.184 -5.801 5.451 1.00 0.00 C ATOM 396 O LEU A 26 2.060 -5.400 5.753 1.00 0.00 O ATOM 397 CB LEU A 26 4.190 -5.225 3.243 1.00 0.00 C ATOM 398 CG LEU A 26 2.838 -5.126 2.537 1.00 0.00 C ATOM 399 CD1 LEU A 26 2.353 -3.685 2.501 1.00 0.00 C ATOM 400 CD2 LEU A 26 2.929 -5.698 1.131 1.00 0.00 C ATOM 0 H LEU A 26 6.224 -5.269 4.630 1.00 0.00 H new ATOM 0 HA LEU A 26 3.840 -3.853 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.893 -4.558 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.572 -6.239 3.123 1.00 0.00 H new ATOM 0 HG LEU A 26 2.113 -5.713 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.389 -3.638 1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.246 -3.312 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.076 -3.071 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.958 -5.620 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.669 -5.139 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.225 -6.746 1.183 1.00 0.00 H new ATOM 412 N HIS A 27 3.606 -7.029 5.730 1.00 0.00 N ATOM 413 CA HIS A 27 2.738 -7.981 6.408 1.00 0.00 C ATOM 414 C HIS A 27 2.404 -7.487 7.811 1.00 0.00 C ATOM 415 O HIS A 27 1.271 -7.614 8.265 1.00 0.00 O ATOM 416 CB HIS A 27 3.385 -9.366 6.477 1.00 0.00 C ATOM 417 CG HIS A 27 2.445 -10.447 6.936 1.00 0.00 C ATOM 418 ND1 HIS A 27 2.636 -11.189 8.083 1.00 0.00 N ATOM 419 CD2 HIS A 27 1.304 -10.917 6.378 1.00 0.00 C ATOM 420 CE1 HIS A 27 1.658 -12.066 8.207 1.00 0.00 C ATOM 421 NE2 HIS A 27 0.836 -11.922 7.186 1.00 0.00 N ATOM 0 H HIS A 27 4.534 -7.385 5.500 1.00 0.00 H new ATOM 0 HA HIS A 27 1.816 -8.065 5.832 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.772 -9.627 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.238 -9.326 7.154 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.847 -10.565 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.549 -12.781 9.009 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.010 -12.469 7.024 1.00 0.00 H new ATOM 430 N ASP A 28 3.390 -6.895 8.478 1.00 0.00 N ATOM 431 CA ASP A 28 3.194 -6.380 9.830 1.00 0.00 C ATOM 432 C ASP A 28 2.351 -5.110 9.801 1.00 0.00 C ATOM 433 O ASP A 28 1.545 -4.866 10.696 1.00 0.00 O ATOM 434 CB ASP A 28 4.541 -6.101 10.500 1.00 0.00 C ATOM 435 CG ASP A 28 4.387 -5.654 11.943 1.00 0.00 C ATOM 436 OD1 ASP A 28 4.146 -6.516 12.815 1.00 0.00 O ATOM 437 OD2 ASP A 28 4.511 -4.442 12.211 1.00 0.00 O ATOM 0 H ASP A 28 4.330 -6.760 8.106 1.00 0.00 H new ATOM 0 HA ASP A 28 2.666 -7.137 10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.155 -7.001 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.071 -5.332 9.938 1.00 0.00 H new ATOM 442 N LEU A 29 2.534 -4.308 8.760 1.00 0.00 N ATOM 443 CA LEU A 29 1.758 -3.085 8.586 1.00 0.00 C ATOM 444 C LEU A 29 0.293 -3.420 8.327 1.00 0.00 C ATOM 445 O LEU A 29 -0.607 -2.748 8.828 1.00 0.00 O ATOM 446 CB LEU A 29 2.324 -2.254 7.430 1.00 0.00 C ATOM 447 CG LEU A 29 1.621 -0.918 7.171 1.00 0.00 C ATOM 448 CD1 LEU A 29 1.718 -0.011 8.390 1.00 0.00 C ATOM 449 CD2 LEU A 29 2.218 -0.238 5.948 1.00 0.00 C ATOM 0 H LEU A 29 3.215 -4.482 8.021 1.00 0.00 H new ATOM 0 HA LEU A 29 1.825 -2.498 9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.378 -2.057 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.277 -2.851 6.519 1.00 0.00 H new ATOM 0 HG LEU A 29 0.566 -1.115 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.212 0.932 8.183 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.245 -0.497 9.244 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.766 0.182 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.710 0.710 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.280 -0.056 6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.093 -0.881 5.077 1.00 0.00 H new ATOM 461 N ALA A 30 0.067 -4.477 7.552 1.00 0.00 N ATOM 462 CA ALA A 30 -1.285 -4.942 7.263 1.00 0.00 C ATOM 463 C ALA A 30 -1.949 -5.491 8.520 1.00 0.00 C ATOM 464 O ALA A 30 -3.171 -5.465 8.653 1.00 0.00 O ATOM 465 CB ALA A 30 -1.263 -6.001 6.171 1.00 0.00 C ATOM 0 H ALA A 30 0.804 -5.028 7.113 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.868 -4.091 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.280 -6.336 5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.833 -5.578 5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.660 -6.848 6.498 1.00 0.00 H new ATOM 471 N GLU A 31 -1.138 -6.007 9.436 1.00 0.00 N ATOM 472 CA GLU A 31 -1.637 -6.492 10.707 1.00 0.00 C ATOM 473 C GLU A 31 -1.890 -5.330 11.664 1.00 0.00 C ATOM 474 O GLU A 31 -2.914 -5.288 12.343 1.00 0.00 O ATOM 475 CB GLU A 31 -0.642 -7.477 11.321 1.00 0.00 C ATOM 476 CG GLU A 31 -0.509 -8.779 10.549 1.00 0.00 C ATOM 477 CD GLU A 31 0.354 -9.794 11.270 1.00 0.00 C ATOM 478 OE1 GLU A 31 -0.195 -10.561 12.090 1.00 0.00 O ATOM 479 OE2 GLU A 31 1.579 -9.835 11.021 1.00 0.00 O ATOM 0 H GLU A 31 -0.129 -6.098 9.317 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.582 -7.007 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.336 -7.000 11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.951 -7.701 12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.500 -9.202 10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.081 -8.574 9.568 1.00 0.00 H new ATOM 486 N ASP A 32 -0.968 -4.373 11.682 1.00 0.00 N ATOM 487 CA ASP A 32 -1.049 -3.229 12.590 1.00 0.00 C ATOM 488 C ASP A 32 -1.839 -2.086 11.947 1.00 0.00 C ATOM 489 O ASP A 32 -1.612 -0.913 12.231 1.00 0.00 O ATOM 490 CB ASP A 32 0.363 -2.763 12.967 1.00 0.00 C ATOM 491 CG ASP A 32 0.387 -1.936 14.239 1.00 0.00 C ATOM 492 OD1 ASP A 32 0.090 -2.494 15.316 1.00 0.00 O ATOM 493 OD2 ASP A 32 0.714 -0.732 14.175 1.00 0.00 O ATOM 0 H ASP A 32 -0.149 -4.366 11.074 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.573 -3.535 13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.007 -3.633 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.778 -2.175 12.148 1.00 0.00 H new ATOM 498 N LEU A 33 -2.777 -2.466 11.088 1.00 0.00 N ATOM 499 CA LEU A 33 -3.709 -1.546 10.435 1.00 0.00 C ATOM 500 C LEU A 33 -4.467 -0.653 11.440 1.00 0.00 C ATOM 501 O LEU A 33 -4.344 -0.840 12.654 1.00 0.00 O ATOM 502 CB LEU A 33 -4.635 -2.306 9.489 1.00 0.00 C ATOM 503 CG LEU A 33 -4.138 -2.351 8.041 1.00 0.00 C ATOM 504 CD1 LEU A 33 -5.131 -3.083 7.152 1.00 0.00 C ATOM 505 CD2 LEU A 33 -3.885 -0.935 7.518 1.00 0.00 C ATOM 0 H LEU A 33 -2.916 -3.440 10.819 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.125 -0.852 9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.754 -3.326 9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.621 -1.842 9.511 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.196 -2.900 8.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.757 -3.103 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.258 -4.104 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.091 -2.568 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.532 -0.985 6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.811 -0.362 7.557 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.131 -0.448 8.136 1.00 0.00 H new ATOM 517 N PRO A 34 -5.324 0.291 10.953 1.00 0.00 N ATOM 518 CA PRO A 34 -5.593 1.593 11.534 1.00 0.00 C ATOM 519 C PRO A 34 -4.540 2.211 12.464 1.00 0.00 C ATOM 520 O PRO A 34 -4.850 3.101 13.260 1.00 0.00 O ATOM 521 CB PRO A 34 -6.945 1.286 12.136 1.00 0.00 C ATOM 522 CG PRO A 34 -7.591 0.478 11.019 1.00 0.00 C ATOM 523 CD PRO A 34 -6.451 0.062 10.074 1.00 0.00 C ATOM 0 HA PRO A 34 -5.566 2.417 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.863 0.716 13.062 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.507 2.191 12.367 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.104 -0.397 11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.337 1.072 10.491 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.529 -0.977 9.754 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.410 0.672 9.171 1.00 0.00 H new ATOM 531 N THR A 35 -3.308 1.744 12.356 1.00 0.00 N ATOM 532 CA THR A 35 -2.163 2.500 12.819 1.00 0.00 C ATOM 533 C THR A 35 -1.097 2.487 11.728 1.00 0.00 C ATOM 534 O THR A 35 -0.983 1.524 10.972 1.00 0.00 O ATOM 535 CB THR A 35 -1.569 1.938 14.119 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.617 1.483 14.989 1.00 0.00 O ATOM 537 CG2 THR A 35 -0.755 3.004 14.836 1.00 0.00 C ATOM 0 H THR A 35 -3.077 0.838 11.948 1.00 0.00 H new ATOM 0 HA THR A 35 -2.497 3.515 13.032 1.00 0.00 H new ATOM 0 HB THR A 35 -0.920 1.101 13.861 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.226 1.126 15.813 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.341 2.589 15.755 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.058 3.337 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.397 3.851 15.077 1.00 0.00 H new ATOM 545 N GLY A 36 -0.336 3.561 11.641 1.00 0.00 N ATOM 546 CA GLY A 36 0.698 3.675 10.624 1.00 0.00 C ATOM 547 C GLY A 36 0.158 3.765 9.202 1.00 0.00 C ATOM 548 O GLY A 36 0.914 3.597 8.244 1.00 0.00 O ATOM 0 H GLY A 36 -0.412 4.368 12.260 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.301 4.560 10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.362 2.813 10.696 1.00 0.00 H new ATOM 552 N TRP A 37 -1.141 4.035 9.062 1.00 0.00 N ATOM 553 CA TRP A 37 -1.779 4.174 7.752 1.00 0.00 C ATOM 554 C TRP A 37 -1.070 5.209 6.875 1.00 0.00 C ATOM 555 O TRP A 37 -1.075 5.100 5.650 1.00 0.00 O ATOM 556 CB TRP A 37 -3.264 4.547 7.907 1.00 0.00 C ATOM 557 CG TRP A 37 -3.501 5.898 8.526 1.00 0.00 C ATOM 558 CD1 TRP A 37 -3.556 7.100 7.874 1.00 0.00 C ATOM 559 CD2 TRP A 37 -3.728 6.185 9.912 1.00 0.00 C ATOM 560 NE1 TRP A 37 -3.786 8.113 8.771 1.00 0.00 N ATOM 561 CE2 TRP A 37 -3.900 7.578 10.027 1.00 0.00 C ATOM 562 CE3 TRP A 37 -3.798 5.405 11.069 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -4.139 8.204 11.246 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -4.038 6.028 12.280 1.00 0.00 C ATOM 565 CH2 TRP A 37 -4.205 7.415 12.360 1.00 0.00 C ATOM 0 H TRP A 37 -1.777 4.163 9.849 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.702 3.207 7.255 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.737 4.522 6.925 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.755 3.789 8.517 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.436 7.232 6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.860 9.104 8.540 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.667 4.334 11.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.268 9.274 11.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.098 5.434 13.180 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.390 7.871 13.321 1.00 0.00 H new ATOM 576 N ASN A 38 -0.456 6.205 7.502 1.00 0.00 N ATOM 577 CA ASN A 38 0.239 7.256 6.764 1.00 0.00 C ATOM 578 C ASN A 38 1.468 6.695 6.052 1.00 0.00 C ATOM 579 O ASN A 38 1.872 7.188 4.999 1.00 0.00 O ATOM 580 CB ASN A 38 0.657 8.383 7.711 1.00 0.00 C ATOM 581 CG ASN A 38 1.315 9.548 6.990 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.985 9.855 5.843 1.00 0.00 O ATOM 583 ND2 ASN A 38 2.255 10.201 7.656 1.00 0.00 N ATOM 0 H ASN A 38 -0.424 6.308 8.516 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.446 7.655 6.016 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.220 8.744 8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.347 7.987 8.456 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.734 10.989 7.221 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.500 9.916 8.604 1.00 0.00 H new ATOM 590 N ARG A 39 2.040 5.635 6.615 1.00 0.00 N ATOM 591 CA ARG A 39 3.273 5.063 6.084 1.00 0.00 C ATOM 592 C ARG A 39 2.969 4.069 4.966 1.00 0.00 C ATOM 593 O ARG A 39 3.871 3.629 4.250 1.00 0.00 O ATOM 594 CB ARG A 39 4.067 4.372 7.198 1.00 0.00 C ATOM 595 CG ARG A 39 5.501 4.052 6.806 1.00 0.00 C ATOM 596 CD ARG A 39 6.208 3.219 7.861 1.00 0.00 C ATOM 597 NE ARG A 39 7.636 3.089 7.574 1.00 0.00 N ATOM 598 CZ ARG A 39 8.313 1.944 7.607 1.00 0.00 C ATOM 599 NH1 ARG A 39 7.700 0.808 7.918 1.00 0.00 N ATOM 600 NH2 ARG A 39 9.610 1.943 7.324 1.00 0.00 N ATOM 0 H ARG A 39 1.671 5.156 7.436 1.00 0.00 H new ATOM 0 HA ARG A 39 3.874 5.875 5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.073 5.012 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.559 3.449 7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.506 3.515 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.050 4.981 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.073 3.679 8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.754 2.229 7.909 1.00 0.00 H new ATOM 0 HE ARG A 39 8.150 3.936 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.703 0.809 8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.226 -0.066 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.080 2.816 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.136 1.070 7.347 1.00 0.00 H new ATOM 614 N ILE A 40 1.691 3.737 4.813 1.00 0.00 N ATOM 615 CA ILE A 40 1.250 2.760 3.820 1.00 0.00 C ATOM 616 C ILE A 40 1.741 3.120 2.417 1.00 0.00 C ATOM 617 O ILE A 40 2.187 2.249 1.675 1.00 0.00 O ATOM 618 CB ILE A 40 -0.295 2.623 3.824 1.00 0.00 C ATOM 619 CG1 ILE A 40 -0.760 1.939 5.113 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.788 1.854 2.606 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.265 1.782 5.212 1.00 0.00 C ATOM 0 H ILE A 40 0.934 4.134 5.370 1.00 0.00 H new ATOM 0 HA ILE A 40 1.689 1.801 4.096 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.723 3.625 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.296 0.955 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.407 2.516 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.875 1.776 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.490 2.380 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.353 0.855 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.518 1.290 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.736 2.764 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.624 1.179 4.378 1.00 0.00 H new ATOM 633 N MET A 41 1.688 4.402 2.070 1.00 0.00 N ATOM 634 CA MET A 41 2.075 4.848 0.733 1.00 0.00 C ATOM 635 C MET A 41 3.553 4.591 0.468 1.00 0.00 C ATOM 636 O MET A 41 3.914 3.996 -0.549 1.00 0.00 O ATOM 637 CB MET A 41 1.769 6.339 0.553 1.00 0.00 C ATOM 638 CG MET A 41 0.288 6.690 0.626 1.00 0.00 C ATOM 639 SD MET A 41 -0.589 6.484 -0.944 1.00 0.00 S ATOM 640 CE MET A 41 -0.517 4.711 -1.191 1.00 0.00 C ATOM 0 H MET A 41 1.382 5.150 2.693 1.00 0.00 H new ATOM 0 HA MET A 41 1.492 4.273 0.014 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.302 6.902 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.160 6.664 -0.411 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.187 6.065 1.382 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.185 7.724 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.394 4.386 -1.750 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.384 4.458 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.496 4.209 -0.223 1.00 0.00 H new ATOM 650 N GLU A 42 4.396 5.034 1.391 1.00 0.00 N ATOM 651 CA GLU A 42 5.839 4.872 1.261 1.00 0.00 C ATOM 652 C GLU A 42 6.209 3.400 1.180 1.00 0.00 C ATOM 653 O GLU A 42 6.997 2.986 0.328 1.00 0.00 O ATOM 654 CB GLU A 42 6.540 5.504 2.460 1.00 0.00 C ATOM 655 CG GLU A 42 8.028 5.708 2.262 1.00 0.00 C ATOM 656 CD GLU A 42 8.739 6.064 3.547 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.357 7.060 4.190 1.00 0.00 O ATOM 658 OE2 GLU A 42 9.693 5.345 3.922 1.00 0.00 O ATOM 0 H GLU A 42 4.103 5.511 2.244 1.00 0.00 H new ATOM 0 HA GLU A 42 6.159 5.367 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.076 6.467 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.383 4.873 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.464 4.799 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.189 6.500 1.530 1.00 0.00 H new ATOM 665 N VAL A 43 5.640 2.617 2.084 1.00 0.00 N ATOM 666 CA VAL A 43 5.877 1.182 2.107 1.00 0.00 C ATOM 667 C VAL A 43 5.420 0.545 0.800 1.00 0.00 C ATOM 668 O VAL A 43 6.199 -0.132 0.134 1.00 0.00 O ATOM 669 CB VAL A 43 5.157 0.504 3.294 1.00 0.00 C ATOM 670 CG1 VAL A 43 5.314 -1.011 3.239 1.00 0.00 C ATOM 671 CG2 VAL A 43 5.686 1.038 4.618 1.00 0.00 C ATOM 0 H VAL A 43 5.010 2.952 2.813 1.00 0.00 H new ATOM 0 HA VAL A 43 6.950 1.032 2.228 1.00 0.00 H new ATOM 0 HB VAL A 43 4.096 0.741 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.797 -1.461 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.885 -1.388 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.372 -1.269 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.166 0.548 5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.754 0.835 4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.516 2.113 4.670 1.00 0.00 H new ATOM 681 N ALA A 44 4.173 0.801 0.420 1.00 0.00 N ATOM 682 CA ALA A 44 3.583 0.196 -0.771 1.00 0.00 C ATOM 683 C ALA A 44 4.411 0.468 -2.019 1.00 0.00 C ATOM 684 O ALA A 44 4.661 -0.445 -2.811 1.00 0.00 O ATOM 685 CB ALA A 44 2.168 0.703 -0.976 1.00 0.00 C ATOM 0 H ALA A 44 3.546 1.428 0.924 1.00 0.00 H new ATOM 0 HA ALA A 44 3.565 -0.882 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.742 0.243 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.560 0.445 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.184 1.786 -1.099 1.00 0.00 H new ATOM 691 N GLU A 45 4.835 1.714 -2.199 1.00 0.00 N ATOM 692 CA GLU A 45 5.617 2.077 -3.371 1.00 0.00 C ATOM 693 C GLU A 45 6.928 1.300 -3.402 1.00 0.00 C ATOM 694 O GLU A 45 7.205 0.581 -4.359 1.00 0.00 O ATOM 695 CB GLU A 45 5.900 3.579 -3.404 1.00 0.00 C ATOM 696 CG GLU A 45 6.615 4.021 -4.670 1.00 0.00 C ATOM 697 CD GLU A 45 6.907 5.503 -4.691 1.00 0.00 C ATOM 698 OE1 GLU A 45 6.037 6.277 -5.147 1.00 0.00 O ATOM 699 OE2 GLU A 45 8.001 5.905 -4.247 1.00 0.00 O ATOM 0 H GLU A 45 4.652 2.482 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 45 5.031 1.819 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.959 4.122 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.506 3.848 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.551 3.470 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.004 3.763 -5.535 1.00 0.00 H new ATOM 706 N LYS A 46 7.715 1.421 -2.341 1.00 0.00 N ATOM 707 CA LYS A 46 9.012 0.756 -2.277 1.00 0.00 C ATOM 708 C LYS A 46 8.873 -0.763 -2.333 1.00 0.00 C ATOM 709 O LYS A 46 9.691 -1.435 -2.957 1.00 0.00 O ATOM 710 CB LYS A 46 9.774 1.181 -1.025 1.00 0.00 C ATOM 711 CG LYS A 46 10.472 2.522 -1.190 1.00 0.00 C ATOM 712 CD LYS A 46 11.291 2.894 0.032 1.00 0.00 C ATOM 713 CE LYS A 46 10.409 3.360 1.179 1.00 0.00 C ATOM 714 NZ LYS A 46 11.208 3.790 2.355 1.00 0.00 N ATOM 0 H LYS A 46 7.480 1.971 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 46 9.582 1.065 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.082 1.237 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.513 0.419 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.122 2.487 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.728 3.297 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.879 2.034 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.996 3.683 -0.229 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.784 4.187 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.738 2.552 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.798 4.658 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.198 3.039 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.188 3.974 2.060 1.00 0.00 H new ATOM 728 N THR A 47 7.836 -1.296 -1.700 1.00 0.00 N ATOM 729 CA THR A 47 7.581 -2.730 -1.728 1.00 0.00 C ATOM 730 C THR A 47 7.383 -3.213 -3.165 1.00 0.00 C ATOM 731 O THR A 47 7.986 -4.199 -3.592 1.00 0.00 O ATOM 732 CB THR A 47 6.342 -3.099 -0.884 1.00 0.00 C ATOM 733 OG1 THR A 47 6.532 -2.677 0.469 1.00 0.00 O ATOM 734 CG2 THR A 47 6.081 -4.597 -0.909 1.00 0.00 C ATOM 0 H THR A 47 7.158 -0.757 -1.161 1.00 0.00 H new ATOM 0 HA THR A 47 8.452 -3.224 -1.298 1.00 0.00 H new ATOM 0 HB THR A 47 5.480 -2.590 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.566 -1.698 0.505 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.202 -4.823 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.909 -4.919 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.945 -5.124 -0.504 1.00 0.00 H new ATOM 742 N TYR A 48 6.557 -2.501 -3.921 1.00 0.00 N ATOM 743 CA TYR A 48 6.289 -2.883 -5.297 1.00 0.00 C ATOM 744 C TYR A 48 7.490 -2.585 -6.192 1.00 0.00 C ATOM 745 O TYR A 48 7.935 -3.444 -6.952 1.00 0.00 O ATOM 746 CB TYR A 48 5.046 -2.168 -5.833 1.00 0.00 C ATOM 747 CG TYR A 48 4.765 -2.485 -7.285 1.00 0.00 C ATOM 748 CD1 TYR A 48 4.326 -3.747 -7.664 1.00 0.00 C ATOM 749 CD2 TYR A 48 4.959 -1.532 -8.279 1.00 0.00 C ATOM 750 CE1 TYR A 48 4.087 -4.049 -8.988 1.00 0.00 C ATOM 751 CE2 TYR A 48 4.717 -1.828 -9.607 1.00 0.00 C ATOM 752 CZ TYR A 48 4.286 -3.089 -9.955 1.00 0.00 C ATOM 753 OH TYR A 48 4.050 -3.394 -11.274 1.00 0.00 O ATOM 0 H TYR A 48 6.066 -1.664 -3.606 1.00 0.00 H new ATOM 0 HA TYR A 48 6.104 -3.957 -5.310 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.182 -2.451 -5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.175 -1.092 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.169 -4.504 -6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.304 -0.545 -8.009 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.745 -5.035 -9.266 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.865 -1.075 -10.367 1.00 0.00 H new ATOM 0 HH TYR A 48 3.219 -3.908 -11.347 1.00 0.00 H new ATOM 763 N GLU A 49 8.021 -1.372 -6.076 1.00 0.00 N ATOM 764 CA GLU A 49 9.091 -0.908 -6.944 1.00 0.00 C ATOM 765 C GLU A 49 10.360 -1.739 -6.793 1.00 0.00 C ATOM 766 O GLU A 49 11.031 -2.021 -7.783 1.00 0.00 O ATOM 767 CB GLU A 49 9.392 0.560 -6.663 1.00 0.00 C ATOM 768 CG GLU A 49 8.338 1.514 -7.202 1.00 0.00 C ATOM 769 CD GLU A 49 8.163 1.390 -8.700 1.00 0.00 C ATOM 770 OE1 GLU A 49 9.177 1.450 -9.427 1.00 0.00 O ATOM 771 OE2 GLU A 49 7.013 1.239 -9.163 1.00 0.00 O ATOM 0 H GLU A 49 7.722 -0.688 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 49 8.748 -1.023 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.483 0.704 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.357 0.814 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.386 1.316 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.618 2.538 -6.955 1.00 0.00 H new ATOM 778 N ALA A 50 10.688 -2.132 -5.569 1.00 0.00 N ATOM 779 CA ALA A 50 11.887 -2.928 -5.331 1.00 0.00 C ATOM 780 C ALA A 50 11.765 -4.292 -5.987 1.00 0.00 C ATOM 781 O ALA A 50 12.652 -4.712 -6.725 1.00 0.00 O ATOM 782 CB ALA A 50 12.153 -3.073 -3.842 1.00 0.00 C ATOM 0 H ALA A 50 10.147 -1.916 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 50 12.733 -2.407 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.052 -3.670 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.293 -2.087 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.305 -3.566 -3.367 1.00 0.00 H new ATOM 788 N TYR A 51 10.647 -4.965 -5.745 1.00 0.00 N ATOM 789 CA TYR A 51 10.425 -6.294 -6.300 1.00 0.00 C ATOM 790 C TYR A 51 10.337 -6.217 -7.824 1.00 0.00 C ATOM 791 O TYR A 51 10.709 -7.152 -8.533 1.00 0.00 O ATOM 792 CB TYR A 51 9.145 -6.898 -5.721 1.00 0.00 C ATOM 793 CG TYR A 51 9.164 -8.408 -5.626 1.00 0.00 C ATOM 794 CD1 TYR A 51 9.869 -9.044 -4.613 1.00 0.00 C ATOM 795 CD2 TYR A 51 8.472 -9.196 -6.536 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.887 -10.421 -4.510 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.484 -10.576 -6.439 1.00 0.00 C ATOM 798 CZ TYR A 51 9.194 -11.183 -5.422 1.00 0.00 C ATOM 799 OH TYR A 51 9.210 -12.559 -5.318 1.00 0.00 O ATOM 0 H TYR A 51 9.882 -4.613 -5.170 1.00 0.00 H new ATOM 0 HA TYR A 51 11.264 -6.936 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.978 -6.484 -4.727 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.300 -6.594 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.413 -8.451 -3.893 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.915 -8.724 -7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.443 -10.898 -3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.941 -11.175 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 51 8.671 -12.948 -6.038 1.00 0.00 H new ATOM 809 N ARG A 52 9.852 -5.083 -8.316 1.00 0.00 N ATOM 810 CA ARG A 52 9.787 -4.828 -9.746 1.00 0.00 C ATOM 811 C ARG A 52 11.183 -4.604 -10.315 1.00 0.00 C ATOM 812 O ARG A 52 11.539 -5.172 -11.343 1.00 0.00 O ATOM 813 CB ARG A 52 8.899 -3.614 -10.028 1.00 0.00 C ATOM 814 CG ARG A 52 8.895 -3.194 -11.486 1.00 0.00 C ATOM 815 CD ARG A 52 7.841 -2.136 -11.762 1.00 0.00 C ATOM 816 NE ARG A 52 7.830 -1.736 -13.167 1.00 0.00 N ATOM 817 CZ ARG A 52 6.781 -1.881 -13.976 1.00 0.00 C ATOM 818 NH1 ARG A 52 5.636 -2.382 -13.516 1.00 0.00 N ATOM 819 NH2 ARG A 52 6.881 -1.501 -15.243 1.00 0.00 N ATOM 0 H ARG A 52 9.496 -4.321 -7.739 1.00 0.00 H new ATOM 0 HA ARG A 52 9.353 -5.701 -10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.878 -3.841 -9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.237 -2.777 -9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.878 -2.808 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.710 -4.065 -12.115 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.859 -2.520 -11.486 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.029 -1.263 -11.137 1.00 0.00 H new ATOM 0 HE ARG A 52 8.678 -1.320 -13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.557 -2.658 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.838 -2.489 -14.142 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.754 -1.103 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.085 -1.607 -15.872 1.00 0.00 H new ATOM 833 N GLN A 53 11.973 -3.779 -9.632 1.00 0.00 N ATOM 834 CA GLN A 53 13.338 -3.494 -10.065 1.00 0.00 C ATOM 835 C GLN A 53 14.180 -4.763 -10.055 1.00 0.00 C ATOM 836 O GLN A 53 15.109 -4.899 -10.848 1.00 0.00 O ATOM 837 CB GLN A 53 13.995 -2.416 -9.194 1.00 0.00 C ATOM 838 CG GLN A 53 15.348 -1.965 -9.728 1.00 0.00 C ATOM 839 CD GLN A 53 15.952 -0.812 -8.950 1.00 0.00 C ATOM 840 OE1 GLN A 53 15.736 -0.663 -7.748 1.00 0.00 O ATOM 841 NE2 GLN A 53 16.724 0.017 -9.637 1.00 0.00 N ATOM 0 H GLN A 53 11.692 -3.297 -8.778 1.00 0.00 H new ATOM 0 HA GLN A 53 13.284 -3.113 -11.085 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.331 -1.554 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.120 -2.800 -8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.038 -2.809 -9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.238 -1.670 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.880 -0.139 -10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 53 17.162 0.811 -9.170 1.00 0.00 H new ATOM 850 N LEU A 54 13.862 -5.686 -9.150 1.00 0.00 N ATOM 851 CA LEU A 54 14.484 -7.008 -9.155 1.00 0.00 C ATOM 852 C LEU A 54 14.340 -7.663 -10.527 1.00 0.00 C ATOM 853 O LEU A 54 15.303 -8.194 -11.080 1.00 0.00 O ATOM 854 CB LEU A 54 13.851 -7.915 -8.093 1.00 0.00 C ATOM 855 CG LEU A 54 14.657 -8.096 -6.804 1.00 0.00 C ATOM 856 CD1 LEU A 54 14.787 -6.782 -6.060 1.00 0.00 C ATOM 857 CD2 LEU A 54 14.006 -9.150 -5.916 1.00 0.00 C ATOM 0 H LEU A 54 13.179 -5.544 -8.406 1.00 0.00 H new ATOM 0 HA LEU A 54 15.541 -6.877 -8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.873 -7.510 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.683 -8.897 -8.535 1.00 0.00 H new ATOM 0 HG LEU A 54 15.658 -8.435 -7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.363 -6.936 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 54 15.296 -6.055 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.795 -6.409 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.590 -9.268 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.994 -8.836 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.968 -10.101 -6.448 1.00 0.00 H new ATOM 869 N ASP A 55 13.133 -7.602 -11.075 1.00 0.00 N ATOM 870 CA ASP A 55 12.841 -8.205 -12.370 1.00 0.00 C ATOM 871 C ASP A 55 13.437 -7.377 -13.503 1.00 0.00 C ATOM 872 O ASP A 55 13.874 -7.922 -14.517 1.00 0.00 O ATOM 873 CB ASP A 55 11.330 -8.356 -12.554 1.00 0.00 C ATOM 874 CG ASP A 55 10.967 -8.967 -13.889 1.00 0.00 C ATOM 875 OD1 ASP A 55 11.313 -10.144 -14.126 1.00 0.00 O ATOM 876 OD2 ASP A 55 10.335 -8.278 -14.710 1.00 0.00 O ATOM 0 H ASP A 55 12.336 -7.138 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 55 13.298 -9.194 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.930 -8.978 -11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.857 -7.378 -12.465 1.00 0.00 H new ATOM 881 N GLU A 56 13.462 -6.062 -13.324 1.00 0.00 N ATOM 882 CA GLU A 56 14.108 -5.163 -14.281 1.00 0.00 C ATOM 883 C GLU A 56 15.606 -5.447 -14.342 1.00 0.00 C ATOM 884 O GLU A 56 16.205 -5.454 -15.419 1.00 0.00 O ATOM 885 CB GLU A 56 13.864 -3.705 -13.883 1.00 0.00 C ATOM 886 CG GLU A 56 12.397 -3.300 -13.889 1.00 0.00 C ATOM 887 CD GLU A 56 11.848 -3.088 -15.287 1.00 0.00 C ATOM 888 OE1 GLU A 56 11.946 -1.949 -15.795 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.308 -4.044 -15.881 1.00 0.00 O ATOM 0 H GLU A 56 13.042 -5.590 -12.523 1.00 0.00 H new ATOM 0 HA GLU A 56 13.678 -5.335 -15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.273 -3.538 -12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.413 -3.056 -14.566 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.811 -4.070 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.277 -2.382 -13.314 1.00 0.00 H new ATOM 896 N PHE A 57 16.198 -5.684 -13.179 1.00 0.00 N ATOM 897 CA PHE A 57 17.590 -6.094 -13.087 1.00 0.00 C ATOM 898 C PHE A 57 17.795 -7.396 -13.851 1.00 0.00 C ATOM 899 O PHE A 57 18.732 -7.528 -14.638 1.00 0.00 O ATOM 900 CB PHE A 57 17.983 -6.269 -11.615 1.00 0.00 C ATOM 901 CG PHE A 57 19.388 -6.757 -11.407 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.453 -5.871 -11.421 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.640 -8.102 -11.194 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.743 -6.317 -11.226 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.930 -8.554 -11.000 1.00 0.00 C ATOM 906 CZ PHE A 57 21.982 -7.660 -11.016 1.00 0.00 C ATOM 0 H PHE A 57 15.728 -5.598 -12.278 1.00 0.00 H new ATOM 0 HA PHE A 57 18.224 -5.325 -13.529 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.862 -5.315 -11.102 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.293 -6.972 -11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 57 20.271 -4.819 -11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.819 -8.804 -11.180 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.565 -5.617 -11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.116 -9.605 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.992 -8.012 -10.864 1.00 0.00 H new ATOM 916 N ARG A 58 16.891 -8.345 -13.636 1.00 0.00 N ATOM 917 CA ARG A 58 16.949 -9.623 -14.313 1.00 0.00 C ATOM 918 C ARG A 58 16.784 -9.443 -15.819 1.00 0.00 C ATOM 919 O ARG A 58 17.398 -10.159 -16.603 1.00 0.00 O ATOM 920 CB ARG A 58 15.874 -10.560 -13.763 1.00 0.00 C ATOM 921 CG ARG A 58 16.095 -10.947 -12.309 1.00 0.00 C ATOM 922 CD ARG A 58 15.086 -11.983 -11.838 1.00 0.00 C ATOM 923 NE ARG A 58 15.203 -13.241 -12.574 1.00 0.00 N ATOM 924 CZ ARG A 58 15.733 -14.358 -12.071 1.00 0.00 C ATOM 925 NH1 ARG A 58 16.191 -14.380 -10.822 1.00 0.00 N ATOM 926 NH2 ARG A 58 15.787 -15.456 -12.814 1.00 0.00 N ATOM 0 H ARG A 58 16.106 -8.246 -12.992 1.00 0.00 H new ATOM 0 HA ARG A 58 17.927 -10.068 -14.130 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.900 -10.080 -13.859 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.845 -11.464 -14.371 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.104 -11.342 -12.188 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.023 -10.058 -11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.231 -12.171 -10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.078 -11.586 -11.957 1.00 0.00 H new ATOM 0 HE ARG A 58 14.857 -13.267 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.138 -13.541 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.595 -15.236 -10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 58 15.424 -15.445 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.192 -16.311 -12.432 1.00 0.00 H new ATOM 940 N LYS A 59 15.960 -8.475 -16.210 1.00 0.00 N ATOM 941 CA LYS A 59 15.773 -8.138 -17.618 1.00 0.00 C ATOM 942 C LYS A 59 17.090 -7.738 -18.261 1.00 0.00 C ATOM 943 O LYS A 59 17.428 -8.193 -19.354 1.00 0.00 O ATOM 944 CB LYS A 59 14.764 -7.016 -17.761 1.00 0.00 C ATOM 945 CG LYS A 59 13.359 -7.546 -17.839 1.00 0.00 C ATOM 946 CD LYS A 59 12.337 -6.449 -17.752 1.00 0.00 C ATOM 947 CE LYS A 59 10.955 -6.996 -18.019 1.00 0.00 C ATOM 948 NZ LYS A 59 10.688 -8.241 -17.255 1.00 0.00 N ATOM 0 H LYS A 59 15.408 -7.907 -15.567 1.00 0.00 H new ATOM 0 HA LYS A 59 15.396 -9.023 -18.130 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.851 -6.336 -16.913 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.986 -6.437 -18.658 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.228 -8.090 -18.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.195 -8.259 -17.031 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.369 -5.991 -16.764 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.571 -5.667 -18.474 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.211 -6.244 -17.756 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.844 -7.195 -19.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.670 -8.450 -17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.213 -9.030 -17.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.994 -8.116 -16.269 1.00 0.00 H new ATOM 962 N SER A 60 17.827 -6.884 -17.571 1.00 0.00 N ATOM 963 CA SER A 60 19.122 -6.433 -18.058 1.00 0.00 C ATOM 964 C SER A 60 20.130 -7.581 -18.066 1.00 0.00 C ATOM 965 O SER A 60 20.633 -7.979 -19.124 1.00 0.00 O ATOM 966 CB SER A 60 19.633 -5.278 -17.192 1.00 0.00 C ATOM 967 OG SER A 60 18.665 -4.241 -17.119 1.00 0.00 O ATOM 0 H SER A 60 17.552 -6.488 -16.672 1.00 0.00 H new ATOM 0 HA SER A 60 19.003 -6.081 -19.083 1.00 0.00 H new ATOM 0 HB2 SER A 60 19.861 -5.641 -16.190 1.00 0.00 H new ATOM 0 HB3 SER A 60 20.561 -4.887 -17.608 1.00 0.00 H new ATOM 0 HG SER A 60 17.923 -4.526 -16.545 1.00 0.00 H new ATOM 973 N THR A 61 20.367 -8.140 -16.889 1.00 0.00 N ATOM 974 CA THR A 61 21.398 -9.148 -16.691 1.00 0.00 C ATOM 975 C THR A 61 21.188 -10.394 -17.558 1.00 0.00 C ATOM 976 O THR A 61 22.131 -10.875 -18.183 1.00 0.00 O ATOM 977 CB THR A 61 21.475 -9.548 -15.208 1.00 0.00 C ATOM 978 OG1 THR A 61 21.769 -8.389 -14.417 1.00 0.00 O ATOM 979 CG2 THR A 61 22.539 -10.612 -14.976 1.00 0.00 C ATOM 0 H THR A 61 19.849 -7.907 -16.042 1.00 0.00 H new ATOM 0 HA THR A 61 22.340 -8.697 -17.002 1.00 0.00 H new ATOM 0 HB THR A 61 20.512 -9.965 -14.914 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.508 -8.553 -13.487 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.568 -10.873 -13.918 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.300 -11.499 -15.562 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.512 -10.227 -15.282 1.00 0.00 H new ATOM 1204 N ALA B 5 -26.325 15.481 9.755 1.00 0.00 N ATOM 1205 CA ALA B 5 -25.607 14.359 10.349 1.00 0.00 C ATOM 1206 C ALA B 5 -26.194 13.016 9.930 1.00 0.00 C ATOM 1207 O ALA B 5 -25.521 11.999 10.002 1.00 0.00 O ATOM 1208 CB ALA B 5 -25.600 14.480 11.864 1.00 0.00 C ATOM 0 HA ALA B 5 -24.582 14.397 9.980 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -25.061 13.636 12.294 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -25.109 15.409 12.153 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -26.625 14.482 12.234 1.00 0.00 H new ATOM 1214 N GLU B 6 -27.446 13.019 9.491 1.00 0.00 N ATOM 1215 CA GLU B 6 -28.103 11.803 9.011 1.00 0.00 C ATOM 1216 C GLU B 6 -27.418 11.288 7.754 1.00 0.00 C ATOM 1217 O GLU B 6 -26.968 10.143 7.690 1.00 0.00 O ATOM 1218 CB GLU B 6 -29.568 12.103 8.696 1.00 0.00 C ATOM 1219 CG GLU B 6 -30.312 12.779 9.830 1.00 0.00 C ATOM 1220 CD GLU B 6 -31.594 13.438 9.368 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -32.582 12.724 9.101 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -31.614 14.682 9.245 1.00 0.00 O ATOM 0 H GLU B 6 -28.032 13.853 9.456 1.00 0.00 H new ATOM 0 HA GLU B 6 -28.037 11.042 9.789 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -29.617 12.739 7.812 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.074 11.171 8.447 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -30.542 12.042 10.600 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -29.667 13.528 10.289 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.337 12.159 6.764 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.711 11.838 5.489 1.00 0.00 C ATOM 1231 C GLU B 7 -25.215 11.668 5.685 1.00 0.00 C ATOM 1232 O GLU B 7 -24.579 10.831 5.043 1.00 0.00 O ATOM 1233 CB GLU B 7 -27.023 12.956 4.491 1.00 0.00 C ATOM 1234 CG GLU B 7 -26.847 12.582 3.026 1.00 0.00 C ATOM 1235 CD GLU B 7 -25.427 12.760 2.532 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -24.897 13.886 2.642 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -24.845 11.783 2.013 1.00 0.00 O ATOM 0 H GLU B 7 -27.703 13.110 6.819 1.00 0.00 H new ATOM 0 HA GLU B 7 -27.104 10.901 5.095 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -28.051 13.283 4.645 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -26.381 13.809 4.712 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -27.147 11.544 2.884 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -27.515 13.193 2.419 1.00 0.00 H new ATOM 1244 N LEU B 8 -24.672 12.442 6.608 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.276 12.341 6.964 1.00 0.00 C ATOM 1246 C LEU B 8 -22.986 10.987 7.607 1.00 0.00 C ATOM 1247 O LEU B 8 -21.965 10.365 7.330 1.00 0.00 O ATOM 1248 CB LEU B 8 -22.912 13.476 7.918 1.00 0.00 C ATOM 1249 CG LEU B 8 -22.961 14.883 7.312 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -22.564 15.926 8.344 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -22.063 14.978 6.084 1.00 0.00 C ATOM 0 H LEU B 8 -25.187 13.153 7.127 1.00 0.00 H new ATOM 0 HA LEU B 8 -22.669 12.424 6.062 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -23.589 13.442 8.771 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -21.907 13.298 8.301 1.00 0.00 H new ATOM 0 HG LEU B 8 -23.987 15.080 7.000 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -22.605 16.918 7.894 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -23.252 15.882 9.189 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -21.550 15.727 8.691 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -22.115 15.986 5.672 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -21.034 14.754 6.367 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -22.396 14.262 5.333 1.00 0.00 H new ATOM 1263 N LYS B 9 -23.900 10.533 8.451 1.00 0.00 N ATOM 1264 CA LYS B 9 -23.760 9.249 9.123 1.00 0.00 C ATOM 1265 C LYS B 9 -23.888 8.099 8.133 1.00 0.00 C ATOM 1266 O LYS B 9 -23.219 7.077 8.273 1.00 0.00 O ATOM 1267 CB LYS B 9 -24.806 9.125 10.234 1.00 0.00 C ATOM 1268 CG LYS B 9 -24.204 8.937 11.619 1.00 0.00 C ATOM 1269 CD LYS B 9 -23.409 7.645 11.717 1.00 0.00 C ATOM 1270 CE LYS B 9 -22.692 7.530 13.053 1.00 0.00 C ATOM 1271 NZ LYS B 9 -23.622 7.708 14.197 1.00 0.00 N ATOM 0 H LYS B 9 -24.753 11.039 8.688 1.00 0.00 H new ATOM 0 HA LYS B 9 -22.766 9.196 9.567 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -25.429 10.019 10.236 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -25.460 8.281 10.014 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -23.555 9.782 11.851 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -25.000 8.932 12.364 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -24.078 6.794 11.588 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -22.680 7.603 10.907 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -22.211 6.554 13.124 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -21.902 8.279 13.107 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -23.153 7.409 15.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -23.892 8.710 14.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -24.474 7.131 14.045 1.00 0.00 H new ATOM 1285 N ALA B 10 -24.743 8.269 7.131 1.00 0.00 N ATOM 1286 CA ALA B 10 -24.870 7.285 6.066 1.00 0.00 C ATOM 1287 C ALA B 10 -23.576 7.219 5.267 1.00 0.00 C ATOM 1288 O ALA B 10 -23.085 6.138 4.936 1.00 0.00 O ATOM 1289 CB ALA B 10 -26.043 7.632 5.164 1.00 0.00 C ATOM 0 H ALA B 10 -25.357 9.078 7.035 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.058 6.306 6.506 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -26.126 6.888 4.372 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -26.962 7.642 5.750 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.884 8.616 4.722 1.00 0.00 H new ATOM 1295 N LYS B 11 -23.025 8.390 4.974 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.734 8.489 4.305 1.00 0.00 C ATOM 1297 C LYS B 11 -20.643 7.840 5.154 1.00 0.00 C ATOM 1298 O LYS B 11 -19.869 7.016 4.665 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.388 9.959 4.045 1.00 0.00 C ATOM 1300 CG LYS B 11 -20.095 10.169 3.272 1.00 0.00 C ATOM 1301 CD LYS B 11 -20.184 9.617 1.858 1.00 0.00 C ATOM 1302 CE LYS B 11 -18.889 9.844 1.094 1.00 0.00 C ATOM 1303 NZ LYS B 11 -18.954 9.304 -0.288 1.00 0.00 N ATOM 0 H LYS B 11 -23.455 9.289 5.191 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.795 7.963 3.352 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -22.207 10.421 3.493 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -21.315 10.478 5.001 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.865 11.234 3.232 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -19.274 9.685 3.800 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -20.405 8.550 1.895 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -21.009 10.095 1.330 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -18.673 10.912 1.056 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -18.065 9.372 1.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -18.051 9.480 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -19.134 8.280 -0.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -19.723 9.773 -0.808 1.00 0.00 H new ATOM 1317 N LEU B 12 -20.600 8.220 6.425 1.00 0.00 N ATOM 1318 CA LEU B 12 -19.620 7.689 7.366 1.00 0.00 C ATOM 1319 C LEU B 12 -19.717 6.169 7.467 1.00 0.00 C ATOM 1320 O LEU B 12 -18.700 5.478 7.496 1.00 0.00 O ATOM 1321 CB LEU B 12 -19.818 8.319 8.750 1.00 0.00 C ATOM 1322 CG LEU B 12 -18.893 7.792 9.853 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -17.434 8.051 9.504 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -19.243 8.431 11.188 1.00 0.00 C ATOM 0 H LEU B 12 -21.240 8.902 6.832 1.00 0.00 H new ATOM 0 HA LEU B 12 -18.627 7.943 6.994 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -19.675 9.396 8.664 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -20.851 8.159 9.059 1.00 0.00 H new ATOM 0 HG LEU B 12 -19.037 6.715 9.935 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -16.796 7.669 10.301 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -17.189 7.547 8.569 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -17.271 9.123 9.392 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -18.577 8.047 11.961 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -19.128 9.512 11.115 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -20.275 8.193 11.446 1.00 0.00 H new ATOM 1336 N LYS B 13 -20.942 5.653 7.512 1.00 0.00 N ATOM 1337 CA LYS B 13 -21.158 4.213 7.615 1.00 0.00 C ATOM 1338 C LYS B 13 -20.613 3.508 6.380 1.00 0.00 C ATOM 1339 O LYS B 13 -19.956 2.470 6.481 1.00 0.00 O ATOM 1340 CB LYS B 13 -22.645 3.894 7.774 1.00 0.00 C ATOM 1341 CG LYS B 13 -22.914 2.465 8.218 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.402 2.190 8.332 1.00 0.00 C ATOM 1343 CE LYS B 13 -24.679 0.825 8.945 1.00 0.00 C ATOM 1344 NZ LYS B 13 -24.112 -0.287 8.137 1.00 0.00 N ATOM 0 H LYS B 13 -21.797 6.208 7.479 1.00 0.00 H new ATOM 0 HA LYS B 13 -20.628 3.855 8.498 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -23.080 4.580 8.501 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.150 4.073 6.825 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -22.468 1.771 7.505 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -22.435 2.285 9.180 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -24.869 2.964 8.941 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -24.858 2.244 7.344 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -24.260 0.790 9.951 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -25.756 0.686 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -24.399 -1.197 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -24.465 -0.222 7.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -23.074 -0.220 8.134 1.00 0.00 H new ATOM 1358 N LYS B 14 -20.894 4.088 5.218 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.397 3.571 3.955 1.00 0.00 C ATOM 1360 C LYS B 14 -18.868 3.542 3.956 1.00 0.00 C ATOM 1361 O LYS B 14 -18.252 2.569 3.518 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.908 4.441 2.805 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.850 3.759 1.453 1.00 0.00 C ATOM 1364 CD LYS B 14 -22.242 3.425 0.942 1.00 0.00 C ATOM 1365 CE LYS B 14 -22.976 2.449 1.852 1.00 0.00 C ATOM 1366 NZ LYS B 14 -24.323 2.107 1.319 1.00 0.00 N ATOM 0 H LYS B 14 -21.470 4.925 5.129 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.761 2.552 3.822 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.938 4.732 3.011 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -20.319 5.358 2.765 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.344 4.407 0.738 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -20.260 2.846 1.529 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -22.824 4.343 0.854 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -22.166 2.998 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -22.386 1.539 1.961 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -23.078 2.884 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -24.793 1.441 1.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -24.894 2.972 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -24.224 1.669 0.381 1.00 0.00 H new ATOM 1380 N LEU B 15 -18.268 4.612 4.468 1.00 0.00 N ATOM 1381 CA LEU B 15 -16.815 4.713 4.565 1.00 0.00 C ATOM 1382 C LEU B 15 -16.269 3.680 5.543 1.00 0.00 C ATOM 1383 O LEU B 15 -15.252 3.041 5.280 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.399 6.119 5.015 1.00 0.00 C ATOM 1385 CG LEU B 15 -16.757 7.249 4.049 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -16.408 8.597 4.659 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -16.036 7.063 2.723 1.00 0.00 C ATOM 0 H LEU B 15 -18.769 5.426 4.824 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.399 4.520 3.576 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -16.864 6.326 5.979 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.321 6.127 5.174 1.00 0.00 H new ATOM 0 HG LEU B 15 -17.831 7.220 3.865 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -16.669 9.391 3.960 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -16.966 8.732 5.586 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.339 8.635 4.870 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -16.302 7.876 2.047 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.959 7.068 2.891 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -16.330 6.112 2.280 1.00 0.00 H new ATOM 1399 N ASN B 16 -16.955 3.525 6.671 1.00 0.00 N ATOM 1400 CA ASN B 16 -16.556 2.566 7.697 1.00 0.00 C ATOM 1401 C ASN B 16 -16.569 1.149 7.125 1.00 0.00 C ATOM 1402 O ASN B 16 -15.621 0.382 7.309 1.00 0.00 O ATOM 1403 CB ASN B 16 -17.504 2.661 8.901 1.00 0.00 C ATOM 1404 CG ASN B 16 -16.963 1.990 10.155 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -16.203 1.023 10.095 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -17.370 2.497 11.310 1.00 0.00 N ATOM 0 H ASN B 16 -17.796 4.055 6.899 1.00 0.00 H new ATOM 0 HA ASN B 16 -15.544 2.801 8.027 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -17.700 3.711 9.117 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -18.459 2.206 8.638 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -17.053 2.085 12.188 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -18.000 3.299 11.321 1.00 0.00 H new ATOM 1413 N ALA B 17 -17.639 0.817 6.410 1.00 0.00 N ATOM 1414 CA ALA B 17 -17.757 -0.485 5.765 1.00 0.00 C ATOM 1415 C ALA B 17 -16.644 -0.680 4.739 1.00 0.00 C ATOM 1416 O ALA B 17 -16.013 -1.737 4.685 1.00 0.00 O ATOM 1417 CB ALA B 17 -19.123 -0.624 5.108 1.00 0.00 C ATOM 0 H ALA B 17 -18.438 1.433 6.263 1.00 0.00 H new ATOM 0 HA ALA B 17 -17.657 -1.260 6.525 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -19.199 -1.600 4.630 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -19.902 -0.529 5.864 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.248 0.158 4.359 1.00 0.00 H new ATOM 1423 N GLN B 18 -16.401 0.356 3.945 1.00 0.00 N ATOM 1424 CA GLN B 18 -15.350 0.334 2.936 1.00 0.00 C ATOM 1425 C GLN B 18 -13.974 0.140 3.577 1.00 0.00 C ATOM 1426 O GLN B 18 -13.176 -0.674 3.117 1.00 0.00 O ATOM 1427 CB GLN B 18 -15.389 1.631 2.122 1.00 0.00 C ATOM 1428 CG GLN B 18 -14.249 1.779 1.130 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.399 3.010 0.257 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -14.975 2.947 -0.828 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -13.898 4.139 0.729 1.00 0.00 N ATOM 0 H GLN B 18 -16.924 1.231 3.982 1.00 0.00 H new ATOM 0 HA GLN B 18 -15.525 -0.511 2.270 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -16.334 1.679 1.581 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -15.371 2.478 2.808 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.305 1.834 1.671 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -14.203 0.892 0.498 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -13.427 4.149 1.634 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -13.982 5.000 0.188 1.00 0.00 H new ATOM 1440 N ALA B 19 -13.714 0.879 4.649 1.00 0.00 N ATOM 1441 CA ALA B 19 -12.452 0.772 5.372 1.00 0.00 C ATOM 1442 C ALA B 19 -12.263 -0.637 5.921 1.00 0.00 C ATOM 1443 O ALA B 19 -11.176 -1.205 5.832 1.00 0.00 O ATOM 1444 CB ALA B 19 -12.403 1.788 6.501 1.00 0.00 C ATOM 0 H ALA B 19 -14.364 1.562 5.038 1.00 0.00 H new ATOM 0 HA ALA B 19 -11.640 0.981 4.676 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -11.455 1.697 7.032 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -12.493 2.793 6.090 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -13.225 1.604 7.192 1.00 0.00 H new ATOM 1450 N THR B 20 -13.333 -1.195 6.473 1.00 0.00 N ATOM 1451 CA THR B 20 -13.306 -2.553 7.002 1.00 0.00 C ATOM 1452 C THR B 20 -12.986 -3.554 5.891 1.00 0.00 C ATOM 1453 O THR B 20 -12.198 -4.485 6.080 1.00 0.00 O ATOM 1454 CB THR B 20 -14.656 -2.920 7.660 1.00 0.00 C ATOM 1455 OG1 THR B 20 -15.038 -1.899 8.597 1.00 0.00 O ATOM 1456 CG2 THR B 20 -14.564 -4.256 8.386 1.00 0.00 C ATOM 0 H THR B 20 -14.234 -0.726 6.566 1.00 0.00 H new ATOM 0 HA THR B 20 -12.525 -2.598 7.761 1.00 0.00 H new ATOM 0 HB THR B 20 -15.405 -2.999 6.872 1.00 0.00 H new ATOM 0 HG1 THR B 20 -15.383 -1.121 8.111 1.00 0.00 H new ATOM 0 HG21 THR B 20 -15.527 -4.491 8.840 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.298 -5.039 7.676 1.00 0.00 H new ATOM 0 HG23 THR B 20 -13.802 -4.196 9.163 1.00 0.00 H new ATOM 1464 N ALA B 21 -13.583 -3.335 4.725 1.00 0.00 N ATOM 1465 CA ALA B 21 -13.350 -4.189 3.570 1.00 0.00 C ATOM 1466 C ALA B 21 -11.895 -4.112 3.126 1.00 0.00 C ATOM 1467 O ALA B 21 -11.241 -5.137 2.940 1.00 0.00 O ATOM 1468 CB ALA B 21 -14.275 -3.793 2.430 1.00 0.00 C ATOM 0 H ALA B 21 -14.235 -2.569 4.556 1.00 0.00 H new ATOM 0 HA ALA B 21 -13.564 -5.219 3.854 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -14.091 -4.439 1.571 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -15.312 -3.899 2.749 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -14.086 -2.756 2.151 1.00 0.00 H new ATOM 1474 N LEU B 22 -11.388 -2.891 2.978 1.00 0.00 N ATOM 1475 CA LEU B 22 -10.006 -2.685 2.559 1.00 0.00 C ATOM 1476 C LEU B 22 -9.026 -3.217 3.598 1.00 0.00 C ATOM 1477 O LEU B 22 -7.930 -3.648 3.250 1.00 0.00 O ATOM 1478 CB LEU B 22 -9.726 -1.202 2.277 1.00 0.00 C ATOM 1479 CG LEU B 22 -9.988 -0.739 0.833 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -9.108 -1.508 -0.139 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.454 -0.901 0.460 1.00 0.00 C ATOM 0 H LEU B 22 -11.912 -2.032 3.142 1.00 0.00 H new ATOM 0 HA LEU B 22 -9.862 -3.245 1.635 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -10.338 -0.601 2.949 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.685 -0.994 2.523 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.739 0.320 0.771 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -9.306 -1.168 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -8.060 -1.335 0.104 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.327 -2.573 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.608 -0.566 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -11.737 -1.950 0.545 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -12.069 -0.304 1.133 1.00 0.00 H new ATOM 1493 N LYS B 23 -9.423 -3.200 4.869 1.00 0.00 N ATOM 1494 CA LYS B 23 -8.578 -3.733 5.931 1.00 0.00 C ATOM 1495 C LYS B 23 -8.310 -5.216 5.707 1.00 0.00 C ATOM 1496 O LYS B 23 -7.159 -5.648 5.686 1.00 0.00 O ATOM 1497 CB LYS B 23 -9.210 -3.521 7.313 1.00 0.00 C ATOM 1498 CG LYS B 23 -8.398 -4.140 8.444 1.00 0.00 C ATOM 1499 CD LYS B 23 -9.008 -3.869 9.811 1.00 0.00 C ATOM 1500 CE LYS B 23 -8.244 -4.602 10.905 1.00 0.00 C ATOM 1501 NZ LYS B 23 -8.753 -4.278 12.265 1.00 0.00 N ATOM 0 H LYS B 23 -10.318 -2.826 5.185 1.00 0.00 H new ATOM 0 HA LYS B 23 -7.634 -3.189 5.902 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -9.319 -2.452 7.495 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -10.212 -3.949 7.317 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -8.325 -5.216 8.289 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.383 -3.745 8.417 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -8.999 -2.798 10.011 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.051 -4.185 9.817 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -8.318 -5.677 10.739 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -7.187 -4.342 10.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -8.202 -4.801 12.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -8.659 -3.257 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -9.754 -4.550 12.335 1.00 0.00 H new ATOM 1515 N MET B 24 -9.372 -5.993 5.520 1.00 0.00 N ATOM 1516 CA MET B 24 -9.223 -7.428 5.298 1.00 0.00 C ATOM 1517 C MET B 24 -8.673 -7.700 3.899 1.00 0.00 C ATOM 1518 O MET B 24 -7.977 -8.691 3.678 1.00 0.00 O ATOM 1519 CB MET B 24 -10.555 -8.166 5.505 1.00 0.00 C ATOM 1520 CG MET B 24 -11.656 -7.749 4.544 1.00 0.00 C ATOM 1521 SD MET B 24 -13.172 -8.704 4.761 1.00 0.00 S ATOM 1522 CE MET B 24 -12.586 -10.351 4.364 1.00 0.00 C ATOM 0 H MET B 24 -10.336 -5.659 5.517 1.00 0.00 H new ATOM 0 HA MET B 24 -8.512 -7.807 6.032 1.00 0.00 H new ATOM 0 HB2 MET B 24 -10.384 -9.237 5.400 1.00 0.00 H new ATOM 0 HB3 MET B 24 -10.896 -7.996 6.526 1.00 0.00 H new ATOM 0 HG2 MET B 24 -11.875 -6.691 4.687 1.00 0.00 H new ATOM 0 HG3 MET B 24 -11.302 -7.866 3.520 1.00 0.00 H new ATOM 0 HE1 MET B 24 -13.427 -10.971 4.053 1.00 0.00 H new ATOM 0 HE2 MET B 24 -11.858 -10.293 3.555 1.00 0.00 H new ATOM 0 HE3 MET B 24 -12.116 -10.792 5.243 1.00 0.00 H new ATOM 1532 N ASP B 25 -8.978 -6.805 2.964 1.00 0.00 N ATOM 1533 CA ASP B 25 -8.496 -6.926 1.590 1.00 0.00 C ATOM 1534 C ASP B 25 -6.975 -6.804 1.554 1.00 0.00 C ATOM 1535 O ASP B 25 -6.284 -7.682 1.035 1.00 0.00 O ATOM 1536 CB ASP B 25 -9.138 -5.850 0.708 1.00 0.00 C ATOM 1537 CG ASP B 25 -8.856 -6.048 -0.772 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -9.416 -6.996 -1.368 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -8.089 -5.257 -1.352 1.00 0.00 O ATOM 0 H ASP B 25 -9.559 -5.984 3.133 1.00 0.00 H new ATOM 0 HA ASP B 25 -8.777 -7.906 1.204 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -10.216 -5.851 0.870 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -8.771 -4.871 1.014 1.00 0.00 H new ATOM 1544 N LEU B 26 -6.458 -5.730 2.145 1.00 0.00 N ATOM 1545 CA LEU B 26 -5.018 -5.503 2.210 1.00 0.00 C ATOM 1546 C LEU B 26 -4.347 -6.558 3.086 1.00 0.00 C ATOM 1547 O LEU B 26 -3.260 -7.044 2.765 1.00 0.00 O ATOM 1548 CB LEU B 26 -4.726 -4.099 2.752 1.00 0.00 C ATOM 1549 CG LEU B 26 -3.245 -3.720 2.830 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -2.618 -3.712 1.442 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -3.076 -2.365 3.503 1.00 0.00 C ATOM 0 H LEU B 26 -7.018 -5.001 2.587 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.611 -5.582 1.202 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -5.237 -3.371 2.122 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -5.158 -4.016 3.749 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.730 -4.469 3.432 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.565 -3.440 1.520 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.705 -4.704 0.998 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.135 -2.986 0.814 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.017 -2.112 3.550 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.606 -1.605 2.929 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.484 -2.407 4.513 1.00 0.00 H new ATOM 1563 N HIS B 27 -5.008 -6.912 4.188 1.00 0.00 N ATOM 1564 CA HIS B 27 -4.513 -7.948 5.093 1.00 0.00 C ATOM 1565 C HIS B 27 -4.230 -9.241 4.339 1.00 0.00 C ATOM 1566 O HIS B 27 -3.128 -9.787 4.408 1.00 0.00 O ATOM 1567 CB HIS B 27 -5.534 -8.214 6.207 1.00 0.00 C ATOM 1568 CG HIS B 27 -5.220 -9.418 7.049 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -5.817 -10.648 6.856 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -4.356 -9.582 8.078 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -5.332 -11.510 7.730 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -4.440 -10.893 8.482 1.00 0.00 N ATOM 0 H HIS B 27 -5.892 -6.494 4.476 1.00 0.00 H new ATOM 0 HA HIS B 27 -3.582 -7.591 5.534 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.590 -7.337 6.852 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.519 -8.343 5.759 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -6.522 -10.858 6.149 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.718 -8.822 8.504 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -5.618 -12.548 7.816 1.00 0.00 H new ATOM 1581 N ASP B 28 -5.230 -9.722 3.618 1.00 0.00 N ATOM 1582 CA ASP B 28 -5.114 -10.984 2.903 1.00 0.00 C ATOM 1583 C ASP B 28 -4.235 -10.847 1.669 1.00 0.00 C ATOM 1584 O ASP B 28 -3.636 -11.821 1.228 1.00 0.00 O ATOM 1585 CB ASP B 28 -6.494 -11.531 2.536 1.00 0.00 C ATOM 1586 CG ASP B 28 -7.092 -12.370 3.653 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -7.326 -11.835 4.761 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -7.305 -13.583 3.438 1.00 0.00 O ATOM 0 H ASP B 28 -6.132 -9.258 3.512 1.00 0.00 H new ATOM 0 HA ASP B 28 -4.632 -11.699 3.570 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -7.163 -10.701 2.308 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -6.415 -12.135 1.632 1.00 0.00 H new ATOM 1593 N LEU B 29 -4.155 -9.644 1.115 1.00 0.00 N ATOM 1594 CA LEU B 29 -3.255 -9.381 -0.004 1.00 0.00 C ATOM 1595 C LEU B 29 -1.803 -9.584 0.428 1.00 0.00 C ATOM 1596 O LEU B 29 -1.030 -10.259 -0.252 1.00 0.00 O ATOM 1597 CB LEU B 29 -3.448 -7.955 -0.531 1.00 0.00 C ATOM 1598 CG LEU B 29 -2.593 -7.593 -1.746 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -3.013 -8.411 -2.959 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -2.691 -6.106 -2.038 1.00 0.00 C ATOM 0 H LEU B 29 -4.699 -8.837 1.420 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.491 -10.082 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -4.498 -7.819 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.225 -7.254 0.273 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.553 -7.830 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.393 -8.139 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -2.888 -9.472 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.059 -8.208 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.077 -5.864 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.729 -5.843 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -2.338 -5.542 -1.175 1.00 0.00 H new ATOM 1612 N ALA B 30 -1.451 -9.009 1.575 1.00 0.00 N ATOM 1613 CA ALA B 30 -0.111 -9.159 2.137 1.00 0.00 C ATOM 1614 C ALA B 30 0.100 -10.576 2.660 1.00 0.00 C ATOM 1615 O ALA B 30 1.226 -11.054 2.761 1.00 0.00 O ATOM 1616 CB ALA B 30 0.113 -8.147 3.251 1.00 0.00 C ATOM 0 H ALA B 30 -2.078 -8.432 2.136 1.00 0.00 H new ATOM 0 HA ALA B 30 0.614 -8.974 1.345 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.116 -8.272 3.660 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.006 -7.138 2.853 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -0.622 -8.306 4.040 1.00 0.00 H new ATOM 1622 N GLU B 31 -0.995 -11.229 3.017 1.00 0.00 N ATOM 1623 CA GLU B 31 -0.955 -12.601 3.501 1.00 0.00 C ATOM 1624 C GLU B 31 -0.752 -13.573 2.336 1.00 0.00 C ATOM 1625 O GLU B 31 -0.207 -14.661 2.506 1.00 0.00 O ATOM 1626 CB GLU B 31 -2.260 -12.916 4.240 1.00 0.00 C ATOM 1627 CG GLU B 31 -2.289 -14.273 4.921 1.00 0.00 C ATOM 1628 CD GLU B 31 -1.193 -14.434 5.948 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -1.126 -13.611 6.882 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -0.399 -15.389 5.827 1.00 0.00 O ATOM 0 H GLU B 31 -1.931 -10.826 2.980 1.00 0.00 H new ATOM 0 HA GLU B 31 -0.116 -12.716 4.188 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -2.433 -12.144 4.990 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.086 -12.862 3.531 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -3.256 -14.412 5.403 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.193 -15.055 4.168 1.00 0.00 H new ATOM 1637 N ASP B 32 -1.180 -13.155 1.152 1.00 0.00 N ATOM 1638 CA ASP B 32 -1.128 -13.995 -0.041 1.00 0.00 C ATOM 1639 C ASP B 32 0.037 -13.586 -0.940 1.00 0.00 C ATOM 1640 O ASP B 32 -0.032 -13.719 -2.165 1.00 0.00 O ATOM 1641 CB ASP B 32 -2.453 -13.919 -0.808 1.00 0.00 C ATOM 1642 CG ASP B 32 -2.676 -15.133 -1.695 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -2.898 -16.235 -1.149 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -2.630 -14.999 -2.936 1.00 0.00 O ATOM 0 H ASP B 32 -1.572 -12.227 0.990 1.00 0.00 H new ATOM 0 HA ASP B 32 -0.969 -15.027 0.273 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -3.276 -13.834 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -2.465 -13.017 -1.420 1.00 0.00 H new ATOM 1649 N LEU B 33 1.082 -13.039 -0.314 1.00 0.00 N ATOM 1650 CA LEU B 33 2.309 -12.609 -1.002 1.00 0.00 C ATOM 1651 C LEU B 33 2.782 -13.598 -2.074 1.00 0.00 C ATOM 1652 O LEU B 33 2.394 -14.770 -2.070 1.00 0.00 O ATOM 1653 CB LEU B 33 3.403 -12.290 0.017 1.00 0.00 C ATOM 1654 CG LEU B 33 3.317 -10.883 0.613 1.00 0.00 C ATOM 1655 CD1 LEU B 33 4.490 -10.621 1.546 1.00 0.00 C ATOM 1656 CD2 LEU B 33 3.259 -9.832 -0.494 1.00 0.00 C ATOM 0 H LEU B 33 1.104 -12.879 0.693 1.00 0.00 H new ATOM 0 HA LEU B 33 2.071 -11.696 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU B 33 3.353 -13.018 0.826 1.00 0.00 H new ATOM 0 HB3 LEU B 33 4.375 -12.411 -0.461 1.00 0.00 H new ATOM 0 HG LEU B 33 2.399 -10.814 1.196 1.00 0.00 H new ATOM 0 HD11 LEU B 33 4.409 -9.615 1.959 1.00 0.00 H new ATOM 0 HD12 LEU B 33 4.479 -11.348 2.358 1.00 0.00 H new ATOM 0 HD13 LEU B 33 5.424 -10.711 0.991 1.00 0.00 H new ATOM 0 HD21 LEU B 33 3.198 -8.839 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU B 33 4.157 -9.900 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU B 33 2.380 -10.006 -1.115 1.00 0.00 H new ATOM 1668 N PRO B 34 3.755 -13.161 -2.906 1.00 0.00 N ATOM 1669 CA PRO B 34 3.735 -13.301 -4.342 1.00 0.00 C ATOM 1670 C PRO B 34 2.537 -14.054 -4.898 1.00 0.00 C ATOM 1671 O PRO B 34 2.311 -15.229 -4.617 1.00 0.00 O ATOM 1672 CB PRO B 34 5.060 -14.014 -4.570 1.00 0.00 C ATOM 1673 CG PRO B 34 5.973 -13.406 -3.536 1.00 0.00 C ATOM 1674 CD PRO B 34 5.084 -12.691 -2.528 1.00 0.00 C ATOM 0 HA PRO B 34 3.629 -12.352 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO B 34 4.964 -15.091 -4.436 1.00 0.00 H new ATOM 0 HB3 PRO B 34 5.434 -13.851 -5.581 1.00 0.00 H new ATOM 0 HG2 PRO B 34 6.570 -14.176 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO B 34 6.671 -12.708 -3.999 1.00 0.00 H new ATOM 0 HD2 PRO B 34 5.334 -12.959 -1.501 1.00 0.00 H new ATOM 0 HD3 PRO B 34 5.170 -11.607 -2.605 1.00 0.00 H new ATOM 1682 N THR B 35 1.861 -13.328 -5.780 1.00 0.00 N ATOM 1683 CA THR B 35 0.642 -13.730 -6.488 1.00 0.00 C ATOM 1684 C THR B 35 -0.092 -12.458 -6.908 1.00 0.00 C ATOM 1685 O THR B 35 -0.404 -12.255 -8.083 1.00 0.00 O ATOM 1686 CB THR B 35 -0.324 -14.618 -5.649 1.00 0.00 C ATOM 1687 OG1 THR B 35 0.153 -15.966 -5.606 1.00 0.00 O ATOM 1688 CG2 THR B 35 -1.733 -14.611 -6.228 1.00 0.00 C ATOM 0 H THR B 35 2.162 -12.388 -6.038 1.00 0.00 H new ATOM 0 HA THR B 35 0.948 -14.341 -7.337 1.00 0.00 H new ATOM 0 HB THR B 35 -0.357 -14.202 -4.642 1.00 0.00 H new ATOM 0 HG1 THR B 35 1.058 -15.981 -5.231 1.00 0.00 H new ATOM 0 HG21 THR B 35 -2.380 -15.241 -5.618 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.119 -13.592 -6.234 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.709 -14.996 -7.248 1.00 0.00 H new ATOM 1696 N GLY B 36 -0.320 -11.584 -5.931 1.00 0.00 N ATOM 1697 CA GLY B 36 -0.978 -10.317 -6.190 1.00 0.00 C ATOM 1698 C GLY B 36 -0.137 -9.134 -5.744 1.00 0.00 C ATOM 1699 O GLY B 36 -0.671 -8.077 -5.412 1.00 0.00 O ATOM 0 H GLY B 36 -0.058 -11.734 -4.957 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -1.189 -10.230 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -1.937 -10.295 -5.673 1.00 0.00 H new ATOM 1703 N TRP B 37 1.184 -9.315 -5.750 1.00 0.00 N ATOM 1704 CA TRP B 37 2.129 -8.268 -5.357 1.00 0.00 C ATOM 1705 C TRP B 37 1.953 -7.038 -6.257 1.00 0.00 C ATOM 1706 O TRP B 37 2.174 -5.902 -5.837 1.00 0.00 O ATOM 1707 CB TRP B 37 3.562 -8.825 -5.454 1.00 0.00 C ATOM 1708 CG TRP B 37 4.638 -7.966 -4.849 1.00 0.00 C ATOM 1709 CD1 TRP B 37 5.013 -6.713 -5.239 1.00 0.00 C ATOM 1710 CD2 TRP B 37 5.508 -8.323 -3.768 1.00 0.00 C ATOM 1711 NE1 TRP B 37 6.042 -6.262 -4.450 1.00 0.00 N ATOM 1712 CE2 TRP B 37 6.363 -7.232 -3.540 1.00 0.00 C ATOM 1713 CE3 TRP B 37 5.637 -9.453 -2.959 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 7.339 -7.243 -2.544 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 6.605 -9.464 -1.972 1.00 0.00 C ATOM 1716 CH2 TRP B 37 7.442 -8.363 -1.769 1.00 0.00 C ATOM 0 H TRP B 37 1.629 -10.190 -6.027 1.00 0.00 H new ATOM 0 HA TRP B 37 1.939 -7.960 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP B 37 3.586 -9.801 -4.969 1.00 0.00 H new ATOM 0 HB3 TRP B 37 3.799 -8.986 -6.506 1.00 0.00 H new ATOM 0 HD1 TRP B 37 4.566 -6.157 -6.050 1.00 0.00 H new ATOM 0 HE1 TRP B 37 6.494 -5.351 -4.529 1.00 0.00 H new ATOM 0 HE3 TRP B 37 4.990 -10.306 -3.102 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 7.991 -6.396 -2.391 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 6.716 -10.338 -1.347 1.00 0.00 H new ATOM 0 HH2 TRP B 37 8.184 -8.399 -0.985 1.00 0.00 H new ATOM 1727 N ASN B 38 1.519 -7.281 -7.489 1.00 0.00 N ATOM 1728 CA ASN B 38 1.304 -6.217 -8.468 1.00 0.00 C ATOM 1729 C ASN B 38 0.189 -5.263 -8.024 1.00 0.00 C ATOM 1730 O ASN B 38 0.198 -4.082 -8.369 1.00 0.00 O ATOM 1731 CB ASN B 38 0.953 -6.834 -9.828 1.00 0.00 C ATOM 1732 CG ASN B 38 0.892 -5.812 -10.949 1.00 0.00 C ATOM 1733 OD1 ASN B 38 1.626 -4.825 -10.953 1.00 0.00 O ATOM 1734 ND2 ASN B 38 0.018 -6.047 -11.916 1.00 0.00 N ATOM 0 H ASN B 38 1.307 -8.216 -7.838 1.00 0.00 H new ATOM 0 HA ASN B 38 2.225 -5.639 -8.551 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.694 -7.594 -10.077 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.010 -7.340 -9.753 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -0.063 -5.398 -12.699 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -0.574 -6.877 -11.878 1.00 0.00 H new ATOM 1741 N ARG B 39 -0.747 -5.765 -7.227 1.00 0.00 N ATOM 1742 CA ARG B 39 -1.923 -4.984 -6.849 1.00 0.00 C ATOM 1743 C ARG B 39 -1.700 -4.274 -5.511 1.00 0.00 C ATOM 1744 O ARG B 39 -2.587 -3.586 -5.005 1.00 0.00 O ATOM 1745 CB ARG B 39 -3.155 -5.892 -6.764 1.00 0.00 C ATOM 1746 CG ARG B 39 -4.473 -5.132 -6.797 1.00 0.00 C ATOM 1747 CD ARG B 39 -5.670 -6.062 -6.664 1.00 0.00 C ATOM 1748 NE ARG B 39 -6.933 -5.367 -6.922 1.00 0.00 N ATOM 1749 CZ ARG B 39 -8.138 -5.937 -6.846 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -8.268 -7.183 -6.395 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -9.218 -5.250 -7.202 1.00 0.00 N ATOM 0 H ARG B 39 -0.717 -6.704 -6.831 1.00 0.00 H new ATOM 0 HA ARG B 39 -2.090 -4.227 -7.615 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -3.132 -6.600 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.104 -6.475 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -4.490 -4.401 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.548 -4.576 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.564 -6.893 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.689 -6.489 -5.661 1.00 0.00 H new ATOM 0 HE ARG B 39 -6.889 -4.380 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.444 -7.709 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -9.192 -7.612 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.125 -4.289 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.140 -5.683 -7.145 1.00 0.00 H new ATOM 1765 N ILE B 40 -0.504 -4.433 -4.953 1.00 0.00 N ATOM 1766 CA ILE B 40 -0.176 -3.857 -3.649 1.00 0.00 C ATOM 1767 C ILE B 40 -0.342 -2.336 -3.645 1.00 0.00 C ATOM 1768 O ILE B 40 -0.976 -1.780 -2.746 1.00 0.00 O ATOM 1769 CB ILE B 40 1.264 -4.237 -3.213 1.00 0.00 C ATOM 1770 CG1 ILE B 40 1.305 -5.716 -2.807 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.764 -3.348 -2.075 1.00 0.00 C ATOM 1772 CD1 ILE B 40 2.678 -6.198 -2.397 1.00 0.00 C ATOM 0 H ILE B 40 0.258 -4.957 -5.383 1.00 0.00 H new ATOM 0 HA ILE B 40 -0.880 -4.277 -2.930 1.00 0.00 H new ATOM 0 HB ILE B 40 1.931 -4.077 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.612 -5.876 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.951 -6.322 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.775 -3.646 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.768 -2.308 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE B 40 1.106 -3.456 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.627 -7.252 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE B 40 3.371 -6.072 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE B 40 3.027 -5.618 -1.542 1.00 0.00 H new ATOM 1784 N MET B 41 0.202 -1.674 -4.661 1.00 0.00 N ATOM 1785 CA MET B 41 0.154 -0.217 -4.739 1.00 0.00 C ATOM 1786 C MET B 41 -1.291 0.275 -4.832 1.00 0.00 C ATOM 1787 O MET B 41 -1.679 1.209 -4.133 1.00 0.00 O ATOM 1788 CB MET B 41 0.970 0.272 -5.941 1.00 0.00 C ATOM 1789 CG MET B 41 1.035 1.787 -6.066 1.00 0.00 C ATOM 1790 SD MET B 41 2.111 2.345 -7.404 1.00 0.00 S ATOM 1791 CE MET B 41 3.687 1.674 -6.880 1.00 0.00 C ATOM 0 H MET B 41 0.681 -2.122 -5.442 1.00 0.00 H new ATOM 0 HA MET B 41 0.591 0.194 -3.829 1.00 0.00 H new ATOM 0 HB2 MET B 41 1.984 -0.120 -5.863 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.538 -0.140 -6.853 1.00 0.00 H new ATOM 0 HG2 MET B 41 0.030 2.175 -6.231 1.00 0.00 H new ATOM 0 HG3 MET B 41 1.388 2.208 -5.125 1.00 0.00 H new ATOM 0 HE1 MET B 41 4.437 2.465 -6.879 1.00 0.00 H new ATOM 0 HE2 MET B 41 3.591 1.263 -5.875 1.00 0.00 H new ATOM 0 HE3 MET B 41 3.993 0.885 -7.567 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.082 -0.382 -5.674 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.485 -0.024 -5.870 1.00 0.00 C ATOM 1803 C GLU B 42 -4.258 -0.104 -4.563 1.00 0.00 C ATOM 1804 O GLU B 42 -4.836 0.883 -4.111 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.127 -0.972 -6.880 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.598 -0.686 -7.127 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.357 -1.913 -7.577 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -6.373 -2.206 -8.787 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -6.956 -2.590 -6.715 1.00 0.00 O ATOM 0 H GLU B 42 -1.772 -1.174 -6.238 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.520 1.001 -6.240 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.588 -0.903 -7.825 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.019 -1.997 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.048 -0.299 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.692 0.093 -7.883 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.264 -1.291 -3.971 1.00 0.00 N ATOM 1817 CA VAL B 43 -4.993 -1.522 -2.729 1.00 0.00 C ATOM 1818 C VAL B 43 -4.541 -0.547 -1.645 1.00 0.00 C ATOM 1819 O VAL B 43 -5.364 0.004 -0.917 1.00 0.00 O ATOM 1820 CB VAL B 43 -4.826 -2.975 -2.231 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -5.555 -3.182 -0.911 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.332 -3.960 -3.275 1.00 0.00 C ATOM 0 H VAL B 43 -3.773 -2.109 -4.330 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.049 -1.355 -2.940 1.00 0.00 H new ATOM 0 HB VAL B 43 -3.764 -3.157 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -5.423 -4.212 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.148 -2.505 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -6.617 -2.977 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.206 -4.978 -2.906 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.388 -3.773 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -4.765 -3.836 -4.198 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.239 -0.313 -1.564 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.693 0.633 -0.597 1.00 0.00 C ATOM 1834 C ALA B 44 -3.197 2.049 -0.866 1.00 0.00 C ATOM 1835 O ALA B 44 -3.599 2.759 0.058 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.180 0.600 -0.630 1.00 0.00 C ATOM 0 H ALA B 44 -2.540 -0.764 -2.155 1.00 0.00 H new ATOM 0 HA ALA B 44 -3.033 0.337 0.395 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.785 1.310 0.096 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -0.832 -0.403 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.832 0.869 -1.627 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.171 2.450 -2.131 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.666 3.754 -2.543 1.00 0.00 C ATOM 1844 C GLU B 45 -5.149 3.901 -2.215 1.00 0.00 C ATOM 1845 O GLU B 45 -5.577 4.918 -1.672 1.00 0.00 O ATOM 1846 CB GLU B 45 -3.422 3.944 -4.040 1.00 0.00 C ATOM 1847 CG GLU B 45 -1.986 4.310 -4.378 1.00 0.00 C ATOM 1848 CD GLU B 45 -1.810 4.705 -5.828 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -1.585 3.812 -6.671 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -1.899 5.915 -6.132 1.00 0.00 O ATOM 0 H GLU B 45 -2.807 1.882 -2.896 1.00 0.00 H new ATOM 0 HA GLU B 45 -3.127 4.526 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -3.687 3.025 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -4.085 4.725 -4.412 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -1.665 5.133 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -1.337 3.463 -4.155 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.917 2.866 -2.527 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.345 2.843 -2.235 1.00 0.00 C ATOM 1859 C LYS B 46 -7.606 2.908 -0.735 1.00 0.00 C ATOM 1860 O LYS B 46 -8.520 3.601 -0.285 1.00 0.00 O ATOM 1861 CB LYS B 46 -7.967 1.592 -2.832 1.00 0.00 C ATOM 1862 CG LYS B 46 -8.210 1.726 -4.322 1.00 0.00 C ATOM 1863 CD LYS B 46 -8.124 0.395 -5.041 1.00 0.00 C ATOM 1864 CE LYS B 46 -9.063 -0.645 -4.451 1.00 0.00 C ATOM 1865 NZ LYS B 46 -9.032 -1.920 -5.216 1.00 0.00 N ATOM 0 H LYS B 46 -5.571 2.024 -2.987 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.804 3.723 -2.685 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.312 0.740 -2.648 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.911 1.383 -2.329 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -9.194 2.164 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -7.479 2.414 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -8.362 0.539 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -7.100 0.025 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -8.786 -0.837 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -10.080 -0.252 -4.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -9.219 -2.715 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -9.760 -1.897 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -8.096 -2.040 -5.652 1.00 0.00 H new ATOM 1879 N THR B 47 -6.792 2.194 0.030 1.00 0.00 N ATOM 1880 CA THR B 47 -6.907 2.199 1.481 1.00 0.00 C ATOM 1881 C THR B 47 -6.573 3.581 2.046 1.00 0.00 C ATOM 1882 O THR B 47 -7.332 4.133 2.844 1.00 0.00 O ATOM 1883 CB THR B 47 -5.984 1.138 2.121 1.00 0.00 C ATOM 1884 OG1 THR B 47 -6.288 -0.157 1.585 1.00 0.00 O ATOM 1885 CG2 THR B 47 -6.142 1.104 3.637 1.00 0.00 C ATOM 0 H THR B 47 -6.043 1.603 -0.331 1.00 0.00 H new ATOM 0 HA THR B 47 -7.940 1.953 1.727 1.00 0.00 H new ATOM 0 HB THR B 47 -4.954 1.407 1.888 1.00 0.00 H new ATOM 0 HG1 THR B 47 -6.060 -0.178 0.632 1.00 0.00 H new ATOM 0 HG21 THR B 47 -5.479 0.347 4.055 1.00 0.00 H new ATOM 0 HG22 THR B 47 -5.886 2.079 4.051 1.00 0.00 H new ATOM 0 HG23 THR B 47 -7.174 0.862 3.890 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.451 4.147 1.609 1.00 0.00 N ATOM 1894 CA TYR B 48 -5.024 5.458 2.083 1.00 0.00 C ATOM 1895 C TYR B 48 -6.066 6.518 1.739 1.00 0.00 C ATOM 1896 O TYR B 48 -6.419 7.349 2.576 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.669 5.840 1.484 1.00 0.00 C ATOM 1898 CG TYR B 48 -3.125 7.149 2.016 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.381 7.188 3.188 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -3.359 8.346 1.348 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -1.889 8.382 3.682 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.871 9.543 1.835 1.00 0.00 C ATOM 1903 CZ TYR B 48 -2.137 9.558 3.002 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.649 10.751 3.488 1.00 0.00 O ATOM 0 H TYR B 48 -4.823 3.718 0.929 1.00 0.00 H new ATOM 0 HA TYR B 48 -4.920 5.406 3.167 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.952 5.046 1.691 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.765 5.908 0.400 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.183 6.271 3.722 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.932 8.340 0.433 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -1.313 8.395 4.596 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -3.064 10.463 1.304 1.00 0.00 H new ATOM 0 HH TYR B 48 -1.913 11.481 2.889 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.559 6.474 0.505 1.00 0.00 N ATOM 1915 CA GLU B 49 -7.588 7.402 0.047 1.00 0.00 C ATOM 1916 C GLU B 49 -8.830 7.332 0.930 1.00 0.00 C ATOM 1917 O GLU B 49 -9.389 8.362 1.315 1.00 0.00 O ATOM 1918 CB GLU B 49 -7.965 7.095 -1.401 1.00 0.00 C ATOM 1919 CG GLU B 49 -7.475 8.139 -2.386 1.00 0.00 C ATOM 1920 CD GLU B 49 -8.152 9.477 -2.180 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -9.273 9.664 -2.699 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -7.574 10.347 -1.498 1.00 0.00 O ATOM 0 H GLU B 49 -6.260 5.801 -0.200 1.00 0.00 H new ATOM 0 HA GLU B 49 -7.181 8.411 0.110 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.554 6.124 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -9.049 7.015 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.397 8.259 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -7.659 7.792 -3.403 1.00 0.00 H new ATOM 1929 N ALA B 50 -9.250 6.115 1.253 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.415 5.910 2.102 1.00 0.00 C ATOM 1931 C ALA B 50 -10.175 6.446 3.507 1.00 0.00 C ATOM 1932 O ALA B 50 -11.054 7.070 4.093 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.779 4.432 2.149 1.00 0.00 C ATOM 0 H ALA B 50 -8.800 5.255 0.939 1.00 0.00 H new ATOM 0 HA ALA B 50 -11.249 6.464 1.672 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.652 4.292 2.787 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.006 4.081 1.142 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.941 3.863 2.551 1.00 0.00 H new ATOM 1939 N TYR B 51 -8.983 6.212 4.038 1.00 0.00 N ATOM 1940 CA TYR B 51 -8.655 6.645 5.389 1.00 0.00 C ATOM 1941 C TYR B 51 -8.437 8.154 5.462 1.00 0.00 C ATOM 1942 O TYR B 51 -8.715 8.772 6.488 1.00 0.00 O ATOM 1943 CB TYR B 51 -7.436 5.886 5.915 1.00 0.00 C ATOM 1944 CG TYR B 51 -7.783 4.512 6.449 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -8.342 3.543 5.623 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -7.562 4.189 7.781 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -8.673 2.294 6.109 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -7.892 2.942 8.276 1.00 0.00 C ATOM 1949 CZ TYR B 51 -8.445 1.998 7.433 1.00 0.00 C ATOM 1950 OH TYR B 51 -8.781 0.755 7.921 1.00 0.00 O ATOM 0 H TYR B 51 -8.228 5.725 3.555 1.00 0.00 H new ATOM 0 HA TYR B 51 -9.507 6.413 6.028 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.704 5.785 5.114 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -6.964 6.469 6.706 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.520 3.772 4.583 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.125 4.924 8.441 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -9.108 1.554 5.454 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -7.719 2.707 9.316 1.00 0.00 H new ATOM 0 HH TYR B 51 -8.704 0.091 7.205 1.00 0.00 H new ATOM 1960 N ARG B 52 -7.949 8.744 4.378 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.838 10.196 4.289 1.00 0.00 C ATOM 1962 C ARG B 52 -9.209 10.833 4.464 1.00 0.00 C ATOM 1963 O ARG B 52 -9.398 11.709 5.311 1.00 0.00 O ATOM 1964 CB ARG B 52 -7.221 10.610 2.945 1.00 0.00 C ATOM 1965 CG ARG B 52 -7.458 12.071 2.583 1.00 0.00 C ATOM 1966 CD ARG B 52 -6.712 12.470 1.319 1.00 0.00 C ATOM 1967 NE ARG B 52 -5.316 12.802 1.587 1.00 0.00 N ATOM 1968 CZ ARG B 52 -4.309 12.541 0.756 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -4.522 11.883 -0.378 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -3.083 12.938 1.069 1.00 0.00 N ATOM 0 H ARG B 52 -7.625 8.243 3.551 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.182 10.546 5.086 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -6.148 10.423 2.976 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -7.632 9.979 2.157 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -8.525 12.242 2.444 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -7.138 12.706 3.409 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -6.758 11.654 0.598 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -7.207 13.327 0.862 1.00 0.00 H new ATOM 0 HE ARG B 52 -5.098 13.265 2.469 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -5.463 11.573 -0.619 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -3.744 11.688 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -2.917 13.440 1.941 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -2.307 12.742 0.437 1.00 0.00 H new ATOM 1984 N GLN B 53 -10.170 10.362 3.676 1.00 0.00 N ATOM 1985 CA GLN B 53 -11.539 10.848 3.763 1.00 0.00 C ATOM 1986 C GLN B 53 -12.148 10.470 5.109 1.00 0.00 C ATOM 1987 O GLN B 53 -12.891 11.250 5.704 1.00 0.00 O ATOM 1988 CB GLN B 53 -12.381 10.261 2.624 1.00 0.00 C ATOM 1989 CG GLN B 53 -13.828 10.734 2.622 1.00 0.00 C ATOM 1990 CD GLN B 53 -13.965 12.231 2.401 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -13.150 12.852 1.722 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -14.999 12.826 2.981 1.00 0.00 N ATOM 0 H GLN B 53 -10.023 9.642 2.968 1.00 0.00 H new ATOM 0 HA GLN B 53 -11.530 11.934 3.673 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.921 10.525 1.672 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.364 9.173 2.696 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -14.376 10.206 1.841 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -14.292 10.469 3.572 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -15.656 12.279 3.538 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -15.137 13.830 2.870 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.819 9.272 5.579 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.341 8.766 6.840 1.00 0.00 C ATOM 2003 C LEU B 54 -11.947 9.669 8.001 1.00 0.00 C ATOM 2004 O LEU B 54 -12.801 10.087 8.773 1.00 0.00 O ATOM 2005 CB LEU B 54 -11.831 7.345 7.099 1.00 0.00 C ATOM 2006 CG LEU B 54 -12.887 6.333 7.557 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -12.237 4.997 7.863 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.646 6.842 8.771 1.00 0.00 C ATOM 0 H LEU B 54 -11.188 8.630 5.100 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.428 8.751 6.765 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -11.369 6.972 6.185 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.047 7.392 7.855 1.00 0.00 H new ATOM 0 HG LEU B 54 -13.602 6.200 6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -12.998 4.288 8.187 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -11.746 4.618 6.967 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -11.499 5.124 8.655 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -14.388 6.103 9.073 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -12.949 7.012 9.591 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.147 7.777 8.521 1.00 0.00 H new ATOM 2020 N ASP B 55 -10.659 9.981 8.113 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.163 10.762 9.247 1.00 0.00 C ATOM 2022 C ASP B 55 -10.587 12.221 9.127 1.00 0.00 C ATOM 2023 O ASP B 55 -10.873 12.873 10.126 1.00 0.00 O ATOM 2024 CB ASP B 55 -8.640 10.657 9.365 1.00 0.00 C ATOM 2025 CG ASP B 55 -8.115 11.258 10.659 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -8.447 10.732 11.746 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -7.362 12.252 10.598 1.00 0.00 O ATOM 0 H ASP B 55 -9.943 9.709 7.439 1.00 0.00 H new ATOM 0 HA ASP B 55 -10.604 10.347 10.154 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -8.346 9.609 9.309 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.177 11.164 8.518 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.638 12.725 7.901 1.00 0.00 N ATOM 2033 CA GLU B 56 -11.161 14.065 7.645 1.00 0.00 C ATOM 2034 C GLU B 56 -12.613 14.167 8.088 1.00 0.00 C ATOM 2035 O GLU B 56 -13.006 15.116 8.771 1.00 0.00 O ATOM 2036 CB GLU B 56 -11.040 14.390 6.156 1.00 0.00 C ATOM 2037 CG GLU B 56 -9.796 15.181 5.796 1.00 0.00 C ATOM 2038 CD GLU B 56 -9.882 16.632 6.226 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -10.391 17.460 5.437 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -9.437 16.959 7.346 1.00 0.00 O ATOM 0 H GLU B 56 -10.324 12.228 7.067 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.577 14.785 8.218 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -11.042 13.458 5.590 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -11.919 14.954 5.845 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.928 14.718 6.265 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.640 15.134 4.718 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.403 13.178 7.703 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.793 13.113 8.110 1.00 0.00 C ATOM 2049 C PHE B 57 -14.871 12.895 9.618 1.00 0.00 C ATOM 2050 O PHE B 57 -15.719 13.465 10.298 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.495 11.976 7.370 1.00 0.00 C ATOM 2052 CG PHE B 57 -16.984 12.128 7.304 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.790 11.699 8.343 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.576 12.707 6.195 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -19.161 11.844 8.276 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -18.943 12.854 6.122 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.735 12.425 7.164 1.00 0.00 C ATOM 0 H PHE B 57 -13.102 12.407 7.107 1.00 0.00 H new ATOM 0 HA PHE B 57 -15.291 14.050 7.862 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -15.100 11.916 6.356 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.257 11.033 7.862 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -17.342 11.246 9.215 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -16.958 13.048 5.377 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -19.782 11.504 9.091 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.393 13.305 5.250 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.807 12.544 7.111 1.00 0.00 H new ATOM 2067 N ARG B 58 -13.955 12.075 10.118 1.00 0.00 N ATOM 2068 CA ARG B 58 -13.844 11.759 11.539 1.00 0.00 C ATOM 2069 C ARG B 58 -13.631 13.023 12.367 1.00 0.00 C ATOM 2070 O ARG B 58 -14.259 13.199 13.414 1.00 0.00 O ATOM 2071 CB ARG B 58 -12.680 10.783 11.734 1.00 0.00 C ATOM 2072 CG ARG B 58 -12.378 10.404 13.170 1.00 0.00 C ATOM 2073 CD ARG B 58 -11.146 9.516 13.223 1.00 0.00 C ATOM 2074 NE ARG B 58 -10.747 9.186 14.587 1.00 0.00 N ATOM 2075 CZ ARG B 58 -9.493 9.268 15.029 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -8.531 9.728 14.235 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -9.203 8.892 16.267 1.00 0.00 N ATOM 0 H ARG B 58 -13.258 11.604 9.541 1.00 0.00 H new ATOM 0 HA ARG B 58 -14.772 11.300 11.881 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -12.895 9.873 11.174 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -11.783 11.222 11.297 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -12.215 11.302 13.766 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -13.231 9.883 13.605 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -11.343 8.595 12.674 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -10.320 10.017 12.719 1.00 0.00 H new ATOM 0 HE ARG B 58 -11.468 8.875 15.238 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -8.752 10.020 13.283 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -7.572 9.789 14.578 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -9.939 8.541 16.879 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -8.243 8.954 16.607 1.00 0.00 H new ATOM 2091 N LYS B 59 -12.745 13.898 11.899 1.00 0.00 N ATOM 2092 CA LYS B 59 -12.508 15.175 12.563 1.00 0.00 C ATOM 2093 C LYS B 59 -13.774 16.018 12.542 1.00 0.00 C ATOM 2094 O LYS B 59 -14.203 16.551 13.568 1.00 0.00 O ATOM 2095 CB LYS B 59 -11.367 15.936 11.880 1.00 0.00 C ATOM 2096 CG LYS B 59 -10.022 15.233 11.963 1.00 0.00 C ATOM 2097 CD LYS B 59 -9.582 15.048 13.404 1.00 0.00 C ATOM 2098 CE LYS B 59 -8.202 14.417 13.491 1.00 0.00 C ATOM 2099 NZ LYS B 59 -7.759 14.260 14.899 1.00 0.00 N ATOM 0 H LYS B 59 -12.180 13.746 11.063 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.225 14.977 13.597 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -11.622 16.089 10.831 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.279 16.923 12.334 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -10.087 14.261 11.473 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -9.273 15.813 11.424 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -9.574 16.014 13.909 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -10.303 14.421 13.928 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.216 13.443 13.003 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -7.485 15.034 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -6.814 13.827 14.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -7.722 15.193 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -8.430 13.650 15.408 1.00 0.00 H new ATOM 2113 N SER B 60 -14.372 16.111 11.366 1.00 0.00 N ATOM 2114 CA SER B 60 -15.575 16.906 11.170 1.00 0.00 C ATOM 2115 C SER B 60 -16.735 16.407 12.040 1.00 0.00 C ATOM 2116 O SER B 60 -17.276 17.156 12.858 1.00 0.00 O ATOM 2117 CB SER B 60 -15.974 16.885 9.689 1.00 0.00 C ATOM 2118 OG SER B 60 -17.128 17.674 9.450 1.00 0.00 O ATOM 0 H SER B 60 -14.040 15.641 10.524 1.00 0.00 H new ATOM 0 HA SER B 60 -15.356 17.929 11.474 1.00 0.00 H new ATOM 0 HB2 SER B 60 -15.147 17.255 9.083 1.00 0.00 H new ATOM 0 HB3 SER B 60 -16.163 15.858 9.377 1.00 0.00 H new ATOM 0 HG SER B 60 -17.355 17.641 8.497 1.00 0.00 H new ATOM 2124 N THR B 61 -17.085 15.136 11.885 1.00 0.00 N ATOM 2125 CA THR B 61 -18.283 14.577 12.511 1.00 0.00 C ATOM 2126 C THR B 61 -18.212 14.624 14.036 1.00 0.00 C ATOM 2127 O THR B 61 -19.219 14.879 14.699 1.00 0.00 O ATOM 2128 CB THR B 61 -18.558 13.119 12.042 1.00 0.00 C ATOM 2129 OG1 THR B 61 -19.824 12.662 12.540 1.00 0.00 O ATOM 2130 CG2 THR B 61 -17.468 12.161 12.506 1.00 0.00 C ATOM 0 H THR B 61 -16.554 14.467 11.328 1.00 0.00 H new ATOM 0 HA THR B 61 -19.111 15.207 12.187 1.00 0.00 H new ATOM 0 HB THR B 61 -18.569 13.131 10.952 1.00 0.00 H new ATOM 0 HG1 THR B 61 -19.983 11.744 12.235 1.00 0.00 H new ATOM 0 HG21 THR B 61 -17.697 11.154 12.158 1.00 0.00 H new ATOM 0 HG22 THR B 61 -16.508 12.477 12.097 1.00 0.00 H new ATOM 0 HG23 THR B 61 -17.418 12.166 13.595 1.00 0.00 H new