USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -176:sc= -0.116 (180deg=-0.166) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -6.24! C(o=-6.2!,f=-4!) USER MOD Single : B 21 LYS NZ :NH3+ -142:sc= -0.308 (180deg=-1.25!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 HIS : no HD1:sc= -7.74! C(o=-7.7!,f=-7.1!) USER MOD Single : B 30 LYS NZ :NH3+ 151:sc= -0.334 (180deg=-1.39!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -154:sc= -0.157 (180deg=-0.974) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5!) USER MOD Single : B 49 ASN : amide:sc= -2.4! C(o=-2.4!,f=-4.6!) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 58 THR OG1 : rot -90:sc= 0.199 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -2.56! C(o=-2.6!,f=-6.6!) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.364 7.024 -6.052 1.00 1.61 N ATOM 2 CA LYS A 1 -23.300 8.184 -6.084 1.00 0.97 C ATOM 3 C LYS A 1 -22.837 9.185 -7.142 1.00 0.57 C ATOM 4 O LYS A 1 -23.551 10.103 -7.494 1.00 1.10 O ATOM 5 CB LYS A 1 -23.310 8.872 -4.715 1.00 1.90 C ATOM 6 CG LYS A 1 -24.518 9.814 -4.628 1.00 1.99 C ATOM 7 CD LYS A 1 -24.614 10.415 -3.218 1.00 2.41 C ATOM 8 CE LYS A 1 -23.504 11.449 -3.004 1.00 3.14 C ATOM 9 NZ LYS A 1 -23.844 12.303 -1.830 1.00 3.88 N ATOM 0 H1 LYS A 1 -22.716 6.312 -5.381 1.00 1.61 H new ATOM 0 H2 LYS A 1 -22.300 6.603 -7.001 1.00 1.61 H new ATOM 0 H3 LYS A 1 -21.422 7.346 -5.752 1.00 1.61 H new ATOM 0 HA LYS A 1 -24.302 7.830 -6.326 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -23.358 8.127 -3.921 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -22.386 9.432 -4.570 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -24.423 10.610 -5.366 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -25.432 9.269 -4.863 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -25.588 10.884 -3.081 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -24.533 9.624 -2.472 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -22.551 10.947 -2.839 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -23.389 12.066 -3.895 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -23.092 13.006 -1.683 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -24.745 12.792 -2.006 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -23.933 11.708 -0.982 1.00 3.88 H new ATOM 25 N VAL A 2 -21.644 9.027 -7.643 1.00 0.65 N ATOM 26 CA VAL A 2 -21.143 9.983 -8.665 1.00 0.45 C ATOM 27 C VAL A 2 -19.876 9.420 -9.312 1.00 0.47 C ATOM 28 O VAL A 2 -19.940 8.590 -10.196 1.00 0.88 O ATOM 29 CB VAL A 2 -20.859 11.330 -7.971 1.00 0.73 C ATOM 30 CG1 VAL A 2 -20.199 11.080 -6.598 1.00 1.03 C ATOM 31 CG2 VAL A 2 -19.966 12.244 -8.856 1.00 1.00 C ATOM 0 H VAL A 2 -20.997 8.280 -7.389 1.00 0.65 H new ATOM 0 HA VAL A 2 -21.884 10.134 -9.450 1.00 0.45 H new ATOM 0 HB VAL A 2 -21.806 11.848 -7.820 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -20.000 12.035 -6.111 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -20.869 10.487 -5.975 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -19.262 10.541 -6.738 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -19.784 13.186 -8.339 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -19.016 11.747 -9.050 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -20.471 12.441 -9.801 1.00 1.00 H new ATOM 41 N GLY A 3 -18.729 9.854 -8.881 1.00 0.41 N ATOM 42 CA GLY A 3 -17.473 9.334 -9.478 1.00 0.54 C ATOM 43 C GLY A 3 -17.339 7.857 -9.125 1.00 0.41 C ATOM 44 O GLY A 3 -16.849 7.059 -9.901 1.00 0.45 O ATOM 0 H GLY A 3 -18.607 10.546 -8.142 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -17.487 9.464 -10.560 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -16.616 9.892 -9.101 1.00 0.54 H new ATOM 48 N PHE A 4 -17.793 7.488 -7.960 1.00 0.38 N ATOM 49 CA PHE A 4 -17.710 6.061 -7.543 1.00 0.44 C ATOM 50 C PHE A 4 -18.246 5.183 -8.673 1.00 0.47 C ATOM 51 O PHE A 4 -17.519 4.686 -9.506 1.00 0.68 O ATOM 52 CB PHE A 4 -18.575 5.848 -6.293 1.00 0.57 C ATOM 53 CG PHE A 4 -17.850 6.348 -5.061 1.00 0.70 C ATOM 54 CD1 PHE A 4 -17.667 7.724 -4.862 1.00 1.35 C ATOM 55 CD2 PHE A 4 -17.368 5.437 -4.112 1.00 1.56 C ATOM 56 CE1 PHE A 4 -17.004 8.185 -3.716 1.00 1.52 C ATOM 57 CE2 PHE A 4 -16.704 5.897 -2.970 1.00 1.74 C ATOM 58 CZ PHE A 4 -16.523 7.269 -2.771 1.00 1.26 C ATOM 0 H PHE A 4 -18.219 8.115 -7.277 1.00 0.38 H new ATOM 0 HA PHE A 4 -16.675 5.799 -7.324 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -19.523 6.375 -6.404 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -18.810 4.789 -6.181 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -18.037 8.429 -5.592 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -17.509 4.377 -4.263 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -16.864 9.245 -3.562 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -16.331 5.192 -2.242 1.00 1.74 H new ATOM 0 HZ PHE A 4 -16.012 7.623 -1.888 1.00 1.26 H new ATOM 68 N PHE A 5 -19.526 5.002 -8.698 1.00 0.45 N ATOM 69 CA PHE A 5 -20.158 4.166 -9.752 1.00 0.59 C ATOM 70 C PHE A 5 -19.557 4.501 -11.130 1.00 0.56 C ATOM 71 O PHE A 5 -19.347 3.629 -11.957 1.00 0.72 O ATOM 72 CB PHE A 5 -21.685 4.426 -9.701 1.00 0.72 C ATOM 73 CG PHE A 5 -22.160 5.259 -10.869 1.00 0.73 C ATOM 74 CD1 PHE A 5 -22.142 6.655 -10.795 1.00 1.48 C ATOM 75 CD2 PHE A 5 -22.627 4.626 -12.017 1.00 1.39 C ATOM 76 CE1 PHE A 5 -22.594 7.418 -11.879 1.00 1.65 C ATOM 77 CE2 PHE A 5 -23.079 5.380 -13.103 1.00 1.44 C ATOM 78 CZ PHE A 5 -23.064 6.779 -13.035 1.00 1.10 C ATOM 0 H PHE A 5 -20.177 5.403 -8.023 1.00 0.45 H new ATOM 0 HA PHE A 5 -19.968 3.106 -9.581 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.214 3.473 -9.697 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -21.935 4.933 -8.769 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -21.780 7.144 -9.903 1.00 1.48 H new ATOM 0 HD2 PHE A 5 -22.640 3.547 -12.069 1.00 1.39 H new ATOM 0 HE1 PHE A 5 -22.581 8.497 -11.824 1.00 1.65 H new ATOM 0 HE2 PHE A 5 -23.439 4.885 -13.993 1.00 1.44 H new ATOM 0 HZ PHE A 5 -23.414 7.365 -13.872 1.00 1.10 H new ATOM 88 N LYS A 6 -19.298 5.755 -11.383 1.00 0.47 N ATOM 89 CA LYS A 6 -18.742 6.156 -12.709 1.00 0.55 C ATOM 90 C LYS A 6 -17.243 5.831 -12.817 1.00 0.47 C ATOM 91 O LYS A 6 -16.537 6.436 -13.600 1.00 0.56 O ATOM 92 CB LYS A 6 -18.954 7.668 -12.906 1.00 0.71 C ATOM 93 CG LYS A 6 -18.937 8.020 -14.409 1.00 1.24 C ATOM 94 CD LYS A 6 -20.343 7.855 -15.008 1.00 1.40 C ATOM 95 CE LYS A 6 -20.245 7.773 -16.533 1.00 1.81 C ATOM 96 NZ LYS A 6 -21.614 7.768 -17.122 1.00 2.26 N ATOM 0 H LYS A 6 -19.448 6.522 -10.727 1.00 0.47 H new ATOM 0 HA LYS A 6 -19.263 5.593 -13.483 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -19.905 7.969 -12.466 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -18.172 8.222 -12.387 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -18.593 9.045 -14.546 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -18.232 7.375 -14.933 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -20.813 6.954 -14.615 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -20.973 8.696 -14.719 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -19.676 8.620 -16.917 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -19.709 6.870 -16.825 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -21.546 7.712 -18.158 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -22.142 6.946 -16.765 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -22.110 8.642 -16.854 1.00 2.26 H new ATOM 110 N ARG A 7 -16.740 4.874 -12.074 1.00 0.52 N ATOM 111 CA ARG A 7 -15.279 4.537 -12.203 1.00 0.56 C ATOM 112 C ARG A 7 -15.024 3.073 -11.893 1.00 0.59 C ATOM 113 O ARG A 7 -14.090 2.478 -12.391 1.00 0.71 O ATOM 114 CB ARG A 7 -14.421 5.451 -11.299 1.00 0.76 C ATOM 115 CG ARG A 7 -14.438 5.020 -9.812 1.00 1.21 C ATOM 116 CD ARG A 7 -13.228 5.635 -9.090 1.00 1.68 C ATOM 117 NE ARG A 7 -12.918 6.967 -9.683 1.00 2.21 N ATOM 118 CZ ARG A 7 -12.123 7.789 -9.054 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.605 7.443 -7.906 1.00 3.15 N ATOM 120 NH2 ARG A 7 -11.845 8.954 -9.571 1.00 3.45 N ATOM 0 H ARG A 7 -17.262 4.319 -11.396 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.986 4.713 -13.238 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -13.393 5.448 -11.661 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -14.784 6.476 -11.379 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -15.363 5.346 -9.338 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -14.407 3.933 -9.736 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -13.441 5.740 -8.026 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -12.365 4.976 -9.179 1.00 1.68 H new ATOM 0 HE ARG A 7 -13.326 7.235 -10.578 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -11.822 6.532 -7.503 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -10.983 8.084 -7.413 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -12.249 9.223 -10.468 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -11.224 9.595 -9.078 1.00 3.45 H new ATOM 134 N ASN A 8 -15.818 2.493 -11.057 1.00 0.59 N ATOM 135 CA ASN A 8 -15.590 1.068 -10.693 1.00 0.68 C ATOM 136 C ASN A 8 -16.253 0.116 -11.698 1.00 0.60 C ATOM 137 O ASN A 8 -15.742 -0.959 -11.946 1.00 0.62 O ATOM 138 CB ASN A 8 -16.147 0.808 -9.291 1.00 0.91 C ATOM 139 CG ASN A 8 -16.042 2.073 -8.445 1.00 1.63 C ATOM 140 OD1 ASN A 8 -14.970 2.451 -8.018 1.00 2.44 O ATOM 141 ND2 ASN A 8 -17.125 2.741 -8.180 1.00 1.47 N ATOM 0 H ASN A 8 -16.618 2.937 -10.605 1.00 0.59 H new ATOM 0 HA ASN A 8 -14.517 0.879 -10.712 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -17.188 0.490 -9.357 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -15.596 -0.004 -8.816 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -17.076 3.586 -7.611 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -18.023 2.420 -8.541 1.00 1.47 H new ATOM 148 N ARG A 9 -17.393 0.472 -12.261 1.00 0.66 N ATOM 149 CA ARG A 9 -18.082 -0.450 -13.220 1.00 0.76 C ATOM 150 C ARG A 9 -18.238 0.114 -14.667 1.00 0.57 C ATOM 151 O ARG A 9 -18.933 -0.503 -15.448 1.00 0.61 O ATOM 152 CB ARG A 9 -19.472 -0.773 -12.646 1.00 1.15 C ATOM 153 CG ARG A 9 -19.988 0.410 -11.810 1.00 1.16 C ATOM 154 CD ARG A 9 -21.522 0.353 -11.692 1.00 1.56 C ATOM 155 NE ARG A 9 -22.111 1.311 -12.662 1.00 1.99 N ATOM 156 CZ ARG A 9 -23.377 1.235 -12.964 1.00 2.90 C ATOM 157 NH1 ARG A 9 -24.121 0.308 -12.429 1.00 3.37 N ATOM 158 NH2 ARG A 9 -23.900 2.090 -13.798 1.00 3.67 N ATOM 0 H ARG A 9 -17.870 1.358 -12.095 1.00 0.66 H new ATOM 0 HA ARG A 9 -17.454 -1.335 -13.320 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -20.168 -0.986 -13.457 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -19.419 -1.669 -12.028 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -19.539 0.385 -10.817 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -19.687 1.350 -12.273 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -21.879 -0.657 -11.894 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -21.832 0.604 -10.678 1.00 1.56 H new ATOM 0 HE ARG A 9 -21.526 2.028 -13.091 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -23.713 -0.359 -11.774 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -25.111 0.249 -12.666 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -23.319 2.818 -14.214 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -24.890 2.031 -14.035 1.00 3.67 H new ATOM 172 N PRO A 10 -17.609 1.222 -15.042 1.00 0.48 N ATOM 173 CA PRO A 10 -17.750 1.701 -16.431 1.00 0.50 C ATOM 174 C PRO A 10 -17.330 0.624 -17.472 1.00 0.48 C ATOM 175 O PRO A 10 -18.015 0.462 -18.461 1.00 0.62 O ATOM 176 CB PRO A 10 -16.857 2.962 -16.524 1.00 0.58 C ATOM 177 CG PRO A 10 -16.304 3.244 -15.099 1.00 0.57 C ATOM 178 CD PRO A 10 -16.767 2.087 -14.179 1.00 0.53 C ATOM 0 HA PRO A 10 -18.791 1.924 -16.665 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -16.040 2.803 -17.228 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -17.432 3.814 -16.889 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -15.216 3.307 -15.116 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -16.673 4.200 -14.727 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -15.916 1.536 -13.779 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -17.332 2.463 -13.326 1.00 0.53 H new ATOM 186 N PRO A 11 -16.211 -0.060 -17.262 1.00 0.44 N ATOM 187 CA PRO A 11 -15.736 -1.068 -18.237 1.00 0.58 C ATOM 188 C PRO A 11 -16.695 -2.269 -18.350 1.00 0.60 C ATOM 189 O PRO A 11 -16.553 -3.078 -19.246 1.00 0.91 O ATOM 190 CB PRO A 11 -14.344 -1.509 -17.715 1.00 0.66 C ATOM 191 CG PRO A 11 -14.070 -0.723 -16.400 1.00 0.57 C ATOM 192 CD PRO A 11 -15.335 0.101 -16.080 1.00 0.41 C ATOM 0 HA PRO A 11 -15.686 -0.650 -19.243 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -14.326 -2.583 -17.531 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -13.572 -1.299 -18.456 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -13.842 -1.409 -15.584 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -13.206 -0.069 -16.517 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.823 -0.262 -15.176 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -15.090 1.150 -15.911 1.00 0.41 H new ATOM 200 N LEU A 12 -17.655 -2.403 -17.462 1.00 0.55 N ATOM 201 CA LEU A 12 -18.606 -3.571 -17.540 1.00 0.62 C ATOM 202 C LEU A 12 -20.046 -3.059 -17.705 1.00 0.57 C ATOM 203 O LEU A 12 -20.523 -2.884 -18.809 1.00 0.87 O ATOM 204 CB LEU A 12 -18.489 -4.447 -16.259 1.00 0.80 C ATOM 205 CG LEU A 12 -17.790 -3.668 -15.126 1.00 0.87 C ATOM 206 CD1 LEU A 12 -18.225 -4.224 -13.766 1.00 1.13 C ATOM 207 CD2 LEU A 12 -16.266 -3.802 -15.263 1.00 1.05 C ATOM 0 H LEU A 12 -17.824 -1.759 -16.689 1.00 0.55 H new ATOM 0 HA LEU A 12 -18.346 -4.184 -18.403 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -19.482 -4.758 -15.934 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -17.928 -5.354 -16.483 1.00 0.80 H new ATOM 0 HG LEU A 12 -18.071 -2.617 -15.196 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -17.728 -3.669 -12.970 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -19.305 -4.121 -13.660 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -17.952 -5.277 -13.699 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -15.779 -3.249 -14.460 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -15.986 -4.854 -15.202 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -15.950 -3.398 -16.225 1.00 1.05 H new ATOM 219 N GLU A 13 -20.745 -2.828 -16.622 1.00 0.65 N ATOM 220 CA GLU A 13 -22.154 -2.345 -16.724 1.00 0.75 C ATOM 221 C GLU A 13 -22.181 -0.825 -16.601 1.00 0.74 C ATOM 222 O GLU A 13 -21.168 -0.192 -16.385 1.00 0.95 O ATOM 223 CB GLU A 13 -22.984 -2.959 -15.593 1.00 1.03 C ATOM 224 CG GLU A 13 -23.236 -4.440 -15.883 1.00 1.27 C ATOM 225 CD GLU A 13 -24.201 -4.578 -17.062 1.00 1.82 C ATOM 226 OE1 GLU A 13 -25.238 -3.937 -17.031 1.00 2.40 O ATOM 227 OE2 GLU A 13 -23.884 -5.319 -17.978 1.00 2.42 O ATOM 0 H GLU A 13 -20.399 -2.954 -15.671 1.00 0.65 H new ATOM 0 HA GLU A 13 -22.571 -2.640 -17.687 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -22.460 -2.849 -14.643 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -23.933 -2.431 -15.497 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -22.295 -4.941 -16.110 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -23.652 -4.927 -15.001 1.00 1.27 H new ATOM 234 N GLU A 14 -23.336 -0.232 -16.735 1.00 0.68 N ATOM 235 CA GLU A 14 -23.428 1.249 -16.623 1.00 0.89 C ATOM 236 C GLU A 14 -24.859 1.644 -16.251 1.00 0.94 C ATOM 237 O GLU A 14 -25.345 2.689 -16.637 1.00 1.55 O ATOM 238 CB GLU A 14 -23.053 1.886 -17.966 1.00 1.17 C ATOM 239 CG GLU A 14 -23.843 1.214 -19.096 1.00 1.14 C ATOM 240 CD GLU A 14 -23.232 -0.153 -19.410 1.00 1.64 C ATOM 241 OE1 GLU A 14 -22.045 -0.199 -19.689 1.00 2.31 O ATOM 242 OE2 GLU A 14 -23.962 -1.130 -19.368 1.00 2.06 O ATOM 0 H GLU A 14 -24.219 -0.710 -16.917 1.00 0.68 H new ATOM 0 HA GLU A 14 -22.743 1.600 -15.851 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -23.267 2.954 -17.945 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -21.983 1.779 -18.144 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -24.887 1.098 -18.804 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -23.829 1.843 -19.986 1.00 1.14 H new ATOM 249 N ASP A 15 -25.542 0.814 -15.507 1.00 1.07 N ATOM 250 CA ASP A 15 -26.939 1.133 -15.115 1.00 1.20 C ATOM 251 C ASP A 15 -26.937 2.033 -13.873 1.00 1.34 C ATOM 252 O ASP A 15 -26.805 3.236 -13.971 1.00 2.23 O ATOM 253 CB ASP A 15 -27.672 -0.176 -14.812 1.00 1.49 C ATOM 254 CG ASP A 15 -26.722 -1.135 -14.098 1.00 1.87 C ATOM 255 OD1 ASP A 15 -26.180 -0.746 -13.078 1.00 2.50 O ATOM 256 OD2 ASP A 15 -26.552 -2.241 -14.581 1.00 2.03 O ATOM 0 H ASP A 15 -25.187 -0.075 -15.154 1.00 1.07 H new ATOM 0 HA ASP A 15 -27.443 1.659 -15.925 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -28.545 0.019 -14.190 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -28.034 -0.626 -15.737 1.00 1.49 H new ATOM 261 N ASP A 16 -27.094 1.459 -12.703 1.00 1.38 N ATOM 262 CA ASP A 16 -27.118 2.270 -11.457 1.00 1.96 C ATOM 263 C ASP A 16 -25.769 2.171 -10.739 1.00 2.73 C ATOM 264 O ASP A 16 -24.793 2.768 -11.148 1.00 3.35 O ATOM 265 CB ASP A 16 -28.222 1.724 -10.552 1.00 1.75 C ATOM 266 CG ASP A 16 -29.585 2.218 -11.042 1.00 2.35 C ATOM 267 OD1 ASP A 16 -29.632 2.807 -12.110 1.00 3.01 O ATOM 268 OD2 ASP A 16 -30.560 1.999 -10.342 1.00 2.63 O ATOM 0 H ASP A 16 -27.207 0.455 -12.563 1.00 1.38 H new ATOM 0 HA ASP A 16 -27.307 3.316 -11.698 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -28.199 0.634 -10.551 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -28.056 2.047 -9.524 1.00 1.75 H new ATOM 273 N GLU A 17 -25.718 1.439 -9.655 1.00 2.99 N ATOM 274 CA GLU A 17 -24.454 1.312 -8.876 1.00 3.97 C ATOM 275 C GLU A 17 -24.254 -0.140 -8.433 1.00 4.44 C ATOM 276 O GLU A 17 -24.088 -1.034 -9.238 1.00 4.39 O ATOM 277 CB GLU A 17 -24.567 2.193 -7.630 1.00 4.23 C ATOM 278 CG GLU A 17 -24.543 3.700 -8.010 1.00 4.26 C ATOM 279 CD GLU A 17 -25.845 4.384 -7.572 1.00 5.23 C ATOM 280 OE1 GLU A 17 -25.898 4.851 -6.446 1.00 5.91 O ATOM 281 OE2 GLU A 17 -26.765 4.429 -8.373 1.00 5.57 O ATOM 0 H GLU A 17 -26.509 0.919 -9.274 1.00 2.99 H new ATOM 0 HA GLU A 17 -23.611 1.618 -9.495 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -25.491 1.963 -7.100 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -23.745 1.973 -6.949 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -23.691 4.188 -7.535 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -24.413 3.808 -9.087 1.00 4.26 H new ATOM 288 N GLU A 18 -24.278 -0.371 -7.146 1.00 5.24 N ATOM 289 CA GLU A 18 -24.099 -1.753 -6.620 1.00 5.97 C ATOM 290 C GLU A 18 -25.469 -2.409 -6.531 1.00 5.91 C ATOM 291 O GLU A 18 -25.593 -3.617 -6.498 1.00 6.62 O ATOM 292 CB GLU A 18 -23.464 -1.713 -5.225 1.00 6.80 C ATOM 293 CG GLU A 18 -22.170 -0.884 -5.256 1.00 7.66 C ATOM 294 CD GLU A 18 -22.490 0.611 -5.157 1.00 8.51 C ATOM 295 OE1 GLU A 18 -23.629 0.942 -4.869 1.00 8.87 O ATOM 296 OE2 GLU A 18 -21.587 1.403 -5.371 1.00 8.98 O ATOM 0 H GLU A 18 -24.415 0.346 -6.433 1.00 5.24 H new ATOM 0 HA GLU A 18 -23.444 -2.317 -7.284 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -24.165 -1.281 -4.510 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -23.248 -2.726 -4.886 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -21.522 -1.179 -4.431 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -21.624 -1.085 -6.178 1.00 7.66 H new ATOM 303 N GLY A 19 -26.504 -1.616 -6.512 1.00 5.28 N ATOM 304 CA GLY A 19 -27.868 -2.195 -6.450 1.00 5.61 C ATOM 305 C GLY A 19 -28.024 -3.131 -7.639 1.00 5.58 C ATOM 306 O GLY A 19 -28.974 -3.881 -7.738 1.00 6.33 O ATOM 0 H GLY A 19 -26.462 -0.597 -6.537 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -28.012 -2.736 -5.515 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -28.620 -1.407 -6.482 1.00 5.61 H new ATOM 310 N GLU A 20 -27.076 -3.089 -8.544 1.00 4.99 N ATOM 311 CA GLU A 20 -27.137 -3.976 -9.745 1.00 5.43 C ATOM 312 C GLU A 20 -27.569 -5.388 -9.325 1.00 5.84 C ATOM 313 O GLU A 20 -26.716 -6.140 -8.883 1.00 6.24 O ATOM 314 CB GLU A 20 -25.748 -4.044 -10.403 1.00 5.87 C ATOM 315 CG GLU A 20 -25.526 -2.809 -11.280 1.00 6.13 C ATOM 316 CD GLU A 20 -24.044 -2.695 -11.648 1.00 6.76 C ATOM 317 OE1 GLU A 20 -23.225 -3.218 -10.910 1.00 7.07 O ATOM 318 OE2 GLU A 20 -23.753 -2.085 -12.665 1.00 7.17 O ATOM 319 OXT GLU A 20 -28.745 -5.689 -9.449 1.00 6.10 O ATOM 0 H GLU A 20 -26.261 -2.477 -8.501 1.00 4.99 H new ATOM 0 HA GLU A 20 -27.860 -3.572 -10.454 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -24.975 -4.100 -9.636 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -25.665 -4.948 -11.006 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -26.130 -2.880 -12.184 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -25.849 -1.913 -10.751 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -17.960 19.204 -4.060 1.00 0.00 N ATOM 328 CA LYS B 21 -18.093 17.763 -3.703 1.00 0.00 C ATOM 329 C LYS B 21 -16.793 17.283 -3.046 1.00 0.00 C ATOM 330 O LYS B 21 -15.780 17.130 -3.694 1.00 0.00 O ATOM 331 CB LYS B 21 -18.361 16.939 -4.977 1.00 0.00 C ATOM 332 CG LYS B 21 -19.852 16.985 -5.336 1.00 0.00 C ATOM 333 CD LYS B 21 -20.237 18.403 -5.765 1.00 0.00 C ATOM 334 CE LYS B 21 -21.652 18.395 -6.346 1.00 0.00 C ATOM 335 NZ LYS B 21 -21.724 17.421 -7.471 1.00 0.00 N ATOM 0 HA LYS B 21 -18.923 17.634 -3.009 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.769 17.331 -5.804 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.049 15.906 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -20.064 16.281 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -20.452 16.679 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -20.187 19.079 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -19.530 18.774 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -22.372 18.127 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -21.918 19.392 -6.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.329 17.805 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -20.769 17.253 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -22.124 16.524 -7.129 1.00 0.00 H new ATOM 351 N LEU B 22 -16.814 17.050 -1.762 1.00 0.00 N ATOM 352 CA LEU B 22 -15.582 16.572 -1.065 1.00 0.00 C ATOM 353 C LEU B 22 -15.506 15.046 -1.144 1.00 0.00 C ATOM 354 O LEU B 22 -14.467 14.454 -0.949 1.00 0.00 O ATOM 355 CB LEU B 22 -15.612 17.019 0.404 1.00 0.00 C ATOM 356 CG LEU B 22 -15.174 18.482 0.508 1.00 0.00 C ATOM 357 CD1 LEU B 22 -16.137 19.367 -0.288 1.00 0.00 C ATOM 358 CD2 LEU B 22 -15.185 18.909 1.979 1.00 0.00 C ATOM 0 H LEU B 22 -17.631 17.170 -1.163 1.00 0.00 H new ATOM 0 HA LEU B 22 -14.704 16.999 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.617 16.901 0.810 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -14.952 16.389 0.999 1.00 0.00 H new ATOM 0 HG LEU B 22 -14.168 18.590 0.102 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.822 20.408 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -16.131 19.062 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -17.144 19.262 0.115 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.874 19.951 2.058 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -16.192 18.800 2.382 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.497 18.281 2.545 1.00 0.00 H new ATOM 370 N LEU B 23 -16.606 14.411 -1.400 1.00 0.00 N ATOM 371 CA LEU B 23 -16.618 12.922 -1.467 1.00 0.00 C ATOM 372 C LEU B 23 -15.773 12.401 -2.641 1.00 0.00 C ATOM 373 O LEU B 23 -15.470 11.236 -2.706 1.00 0.00 O ATOM 374 CB LEU B 23 -18.062 12.398 -1.574 1.00 0.00 C ATOM 375 CG LEU B 23 -18.737 12.824 -2.906 1.00 0.00 C ATOM 376 CD1 LEU B 23 -19.804 11.790 -3.289 1.00 0.00 C ATOM 377 CD2 LEU B 23 -19.411 14.201 -2.761 1.00 0.00 C ATOM 0 H LEU B 23 -17.507 14.858 -1.568 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.173 12.548 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.060 11.311 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.647 12.773 -0.734 1.00 0.00 H new ATOM 0 HG LEU B 23 -17.970 12.883 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -20.279 12.087 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -19.336 10.814 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -20.556 11.734 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -19.877 14.479 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -20.171 14.154 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -18.662 14.946 -2.493 1.00 0.00 H new ATOM 389 N ILE B 24 -15.406 13.244 -3.571 1.00 0.00 N ATOM 390 CA ILE B 24 -14.593 12.777 -4.746 1.00 0.00 C ATOM 391 C ILE B 24 -13.112 13.017 -4.482 1.00 0.00 C ATOM 392 O ILE B 24 -12.292 12.133 -4.638 1.00 0.00 O ATOM 393 CB ILE B 24 -15.026 13.500 -6.037 1.00 0.00 C ATOM 394 CG1 ILE B 24 -15.080 15.013 -5.808 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.416 13.007 -6.464 1.00 0.00 C ATOM 396 CD1 ILE B 24 -15.665 15.705 -7.046 1.00 0.00 C ATOM 0 H ILE B 24 -15.632 14.239 -3.572 1.00 0.00 H new ATOM 0 HA ILE B 24 -14.765 11.709 -4.880 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.298 13.282 -6.819 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -15.690 15.236 -4.933 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -14.080 15.395 -5.605 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.719 13.520 -7.377 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -16.381 11.933 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -17.136 13.218 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -15.701 16.781 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -15.037 15.494 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -16.673 15.332 -7.229 1.00 0.00 H new ATOM 408 N THR B 25 -12.759 14.197 -4.077 1.00 0.00 N ATOM 409 CA THR B 25 -11.329 14.478 -3.799 1.00 0.00 C ATOM 410 C THR B 25 -10.861 13.497 -2.733 1.00 0.00 C ATOM 411 O THR B 25 -9.739 13.034 -2.753 1.00 0.00 O ATOM 412 CB THR B 25 -11.144 15.920 -3.304 1.00 0.00 C ATOM 413 OG1 THR B 25 -10.034 15.974 -2.420 1.00 0.00 O ATOM 414 CG2 THR B 25 -12.400 16.383 -2.571 1.00 0.00 C ATOM 0 H THR B 25 -13.396 14.979 -3.926 1.00 0.00 H new ATOM 0 HA THR B 25 -10.744 14.363 -4.711 1.00 0.00 H new ATOM 0 HB THR B 25 -10.967 16.574 -4.158 1.00 0.00 H new ATOM 0 HG1 THR B 25 -9.912 16.893 -2.103 1.00 0.00 H new ATOM 0 HG21 THR B 25 -12.262 17.407 -2.223 1.00 0.00 H new ATOM 0 HG22 THR B 25 -13.253 16.343 -3.249 1.00 0.00 H new ATOM 0 HG23 THR B 25 -12.584 15.731 -1.717 1.00 0.00 H new ATOM 422 N ILE B 26 -11.723 13.148 -1.813 1.00 0.00 N ATOM 423 CA ILE B 26 -11.322 12.168 -0.771 1.00 0.00 C ATOM 424 C ILE B 26 -11.432 10.773 -1.368 1.00 0.00 C ATOM 425 O ILE B 26 -10.668 9.888 -1.035 1.00 0.00 O ATOM 426 CB ILE B 26 -12.219 12.292 0.470 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.665 11.870 0.128 1.00 0.00 C ATOM 428 CG2 ILE B 26 -12.208 13.747 0.954 1.00 0.00 C ATOM 429 CD1 ILE B 26 -13.858 10.338 0.211 1.00 0.00 C ATOM 0 H ILE B 26 -12.678 13.498 -1.741 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.297 12.363 -0.455 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.839 11.638 1.255 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -14.357 12.360 0.813 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.914 12.213 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.843 13.842 1.835 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -11.189 14.038 1.208 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.584 14.396 0.164 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -14.889 10.087 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.186 9.848 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.635 9.997 1.222 1.00 0.00 H new ATOM 441 N HIS B 27 -12.357 10.559 -2.272 1.00 0.00 N ATOM 442 CA HIS B 27 -12.451 9.193 -2.885 1.00 0.00 C ATOM 443 C HIS B 27 -11.338 9.044 -3.920 1.00 0.00 C ATOM 444 O HIS B 27 -11.043 7.961 -4.385 1.00 0.00 O ATOM 445 CB HIS B 27 -13.797 8.980 -3.579 1.00 0.00 C ATOM 446 CG HIS B 27 -13.881 7.564 -4.068 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.182 6.529 -3.467 1.00 0.00 N ATOM 448 CD2 HIS B 27 -14.579 6.995 -5.101 1.00 0.00 C ATOM 449 CE1 HIS B 27 -13.474 5.399 -4.138 1.00 0.00 C ATOM 450 NE2 HIS B 27 -14.323 5.628 -5.145 1.00 0.00 N ATOM 0 H HIS B 27 -13.033 11.246 -2.606 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.354 8.453 -2.091 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.613 9.188 -2.887 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -13.903 9.673 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -15.230 7.527 -5.779 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -13.072 4.427 -3.893 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -14.702 4.947 -5.804 1.00 0.00 H new ATOM 458 N ASP B 28 -10.724 10.135 -4.288 1.00 0.00 N ATOM 459 CA ASP B 28 -9.627 10.085 -5.302 1.00 0.00 C ATOM 460 C ASP B 28 -8.278 10.021 -4.594 1.00 0.00 C ATOM 461 O ASP B 28 -7.325 9.458 -5.094 1.00 0.00 O ATOM 462 CB ASP B 28 -9.676 11.352 -6.144 1.00 0.00 C ATOM 463 CG ASP B 28 -8.691 11.233 -7.307 1.00 0.00 C ATOM 464 OD1 ASP B 28 -9.061 10.646 -8.312 1.00 0.00 O ATOM 465 OD2 ASP B 28 -7.585 11.730 -7.176 1.00 0.00 O ATOM 0 H ASP B 28 -10.935 11.066 -3.929 1.00 0.00 H new ATOM 0 HA ASP B 28 -9.754 9.205 -5.932 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.685 11.510 -6.524 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.427 12.218 -5.531 1.00 0.00 H new ATOM 470 N ARG B 29 -8.194 10.592 -3.433 1.00 0.00 N ATOM 471 CA ARG B 29 -6.917 10.570 -2.682 1.00 0.00 C ATOM 472 C ARG B 29 -6.611 9.131 -2.285 1.00 0.00 C ATOM 473 O ARG B 29 -5.571 8.589 -2.602 1.00 0.00 O ATOM 474 CB ARG B 29 -7.063 11.448 -1.429 1.00 0.00 C ATOM 475 CG ARG B 29 -6.745 12.908 -1.771 1.00 0.00 C ATOM 476 CD ARG B 29 -6.914 13.773 -0.521 1.00 0.00 C ATOM 477 NE ARG B 29 -5.841 13.440 0.458 1.00 0.00 N ATOM 478 CZ ARG B 29 -5.591 14.248 1.451 1.00 0.00 C ATOM 479 NH1 ARG B 29 -6.281 15.348 1.589 1.00 0.00 N ATOM 480 NH2 ARG B 29 -4.650 13.956 2.308 1.00 0.00 N ATOM 0 H ARG B 29 -8.961 11.077 -2.968 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.102 10.956 -3.295 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -8.077 11.370 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -6.391 11.095 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -5.726 12.991 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -7.407 13.260 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -6.865 14.829 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -7.894 13.601 -0.076 1.00 0.00 H new ATOM 0 HE ARG B 29 -5.302 12.580 0.352 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -7.016 15.576 0.920 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -6.085 15.979 2.366 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -4.111 13.097 2.201 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -4.454 14.587 3.085 1.00 0.00 H new ATOM 494 N LYS B 30 -7.520 8.512 -1.601 1.00 0.00 N ATOM 495 CA LYS B 30 -7.307 7.105 -1.181 1.00 0.00 C ATOM 496 C LYS B 30 -6.941 6.267 -2.407 1.00 0.00 C ATOM 497 O LYS B 30 -6.390 5.191 -2.293 1.00 0.00 O ATOM 498 CB LYS B 30 -8.591 6.559 -0.553 1.00 0.00 C ATOM 499 CG LYS B 30 -8.878 7.307 0.754 1.00 0.00 C ATOM 500 CD LYS B 30 -10.245 6.885 1.320 1.00 0.00 C ATOM 501 CE LYS B 30 -10.116 5.563 2.084 1.00 0.00 C ATOM 502 NZ LYS B 30 -9.106 5.711 3.170 1.00 0.00 N ATOM 0 H LYS B 30 -8.409 8.921 -1.311 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.500 7.058 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -9.426 6.678 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -8.488 5.491 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.094 7.096 1.482 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -8.866 8.382 0.576 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -10.627 7.661 1.983 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -10.965 6.776 0.509 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.080 5.279 2.506 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -9.819 4.765 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.343 5.070 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -8.163 5.474 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -9.107 6.693 3.514 1.00 0.00 H new ATOM 516 N GLU B 31 -7.251 6.750 -3.584 1.00 0.00 N ATOM 517 CA GLU B 31 -6.925 5.977 -4.812 1.00 0.00 C ATOM 518 C GLU B 31 -5.430 6.123 -5.117 1.00 0.00 C ATOM 519 O GLU B 31 -4.790 5.202 -5.584 1.00 0.00 O ATOM 520 CB GLU B 31 -7.814 6.494 -5.977 1.00 0.00 C ATOM 521 CG GLU B 31 -6.997 6.768 -7.250 1.00 0.00 C ATOM 522 CD GLU B 31 -7.945 7.113 -8.399 1.00 0.00 C ATOM 523 OE1 GLU B 31 -8.460 6.192 -9.011 1.00 0.00 O ATOM 524 OE2 GLU B 31 -8.142 8.291 -8.647 1.00 0.00 O ATOM 0 H GLU B 31 -7.715 7.644 -3.743 1.00 0.00 H new ATOM 0 HA GLU B 31 -7.131 4.916 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.589 5.759 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.320 7.408 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -6.302 7.590 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -6.400 5.893 -7.507 1.00 0.00 H new ATOM 531 N PHE B 32 -4.874 7.269 -4.857 1.00 0.00 N ATOM 532 CA PHE B 32 -3.421 7.474 -5.131 1.00 0.00 C ATOM 533 C PHE B 32 -2.608 6.925 -3.959 1.00 0.00 C ATOM 534 O PHE B 32 -1.433 6.640 -4.075 1.00 0.00 O ATOM 535 CB PHE B 32 -3.137 8.978 -5.305 1.00 0.00 C ATOM 536 CG PHE B 32 -1.908 9.177 -6.158 1.00 0.00 C ATOM 537 CD1 PHE B 32 -0.653 9.000 -5.592 1.00 0.00 C ATOM 538 CD2 PHE B 32 -2.028 9.538 -7.505 1.00 0.00 C ATOM 539 CE1 PHE B 32 0.500 9.178 -6.364 1.00 0.00 C ATOM 540 CE2 PHE B 32 -0.879 9.718 -8.284 1.00 0.00 C ATOM 541 CZ PHE B 32 0.388 9.539 -7.713 1.00 0.00 C ATOM 0 H PHE B 32 -5.360 8.076 -4.466 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.140 6.950 -6.045 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.994 9.467 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.992 9.444 -4.330 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -0.566 8.724 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.005 9.677 -7.943 1.00 0.00 H new ATOM 0 HE1 PHE B 32 1.475 9.037 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -0.969 9.995 -9.324 1.00 0.00 H new ATOM 0 HZ PHE B 32 1.276 9.679 -8.311 1.00 0.00 H new ATOM 551 N ALA B 33 -3.233 6.790 -2.830 1.00 0.00 N ATOM 552 CA ALA B 33 -2.524 6.284 -1.622 1.00 0.00 C ATOM 553 C ALA B 33 -1.602 5.108 -1.970 1.00 0.00 C ATOM 554 O ALA B 33 -0.468 5.067 -1.549 1.00 0.00 O ATOM 555 CB ALA B 33 -3.557 5.827 -0.590 1.00 0.00 C ATOM 0 H ALA B 33 -4.219 7.011 -2.687 1.00 0.00 H new ATOM 0 HA ALA B 33 -1.912 7.091 -1.218 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -3.045 5.455 0.297 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -4.194 6.668 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -4.169 5.032 -1.015 1.00 0.00 H new ATOM 561 N LYS B 34 -2.078 4.136 -2.702 1.00 0.00 N ATOM 562 CA LYS B 34 -1.213 2.955 -3.027 1.00 0.00 C ATOM 563 C LYS B 34 -0.342 3.206 -4.263 1.00 0.00 C ATOM 564 O LYS B 34 0.770 2.723 -4.337 1.00 0.00 O ATOM 565 CB LYS B 34 -2.099 1.731 -3.269 1.00 0.00 C ATOM 566 CG LYS B 34 -1.250 0.460 -3.193 1.00 0.00 C ATOM 567 CD LYS B 34 -2.043 -0.721 -3.762 1.00 0.00 C ATOM 568 CE LYS B 34 -3.254 -1.010 -2.871 1.00 0.00 C ATOM 569 NZ LYS B 34 -3.781 -2.371 -3.175 1.00 0.00 N ATOM 0 H LYS B 34 -3.021 4.105 -3.089 1.00 0.00 H new ATOM 0 HA LYS B 34 -0.548 2.784 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -2.896 1.693 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -2.577 1.803 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -0.325 0.594 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -0.970 0.259 -2.159 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -2.372 -0.495 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -1.406 -1.603 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -2.970 -0.945 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -4.029 -0.262 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -4.604 -2.568 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -4.067 -2.417 -4.174 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -3.041 -3.078 -2.993 1.00 0.00 H new ATOM 583 N PHE B 35 -0.813 3.947 -5.233 1.00 0.00 N ATOM 584 CA PHE B 35 0.024 4.207 -6.441 1.00 0.00 C ATOM 585 C PHE B 35 1.421 4.616 -5.979 1.00 0.00 C ATOM 586 O PHE B 35 2.410 4.433 -6.658 1.00 0.00 O ATOM 587 CB PHE B 35 -0.618 5.345 -7.242 1.00 0.00 C ATOM 588 CG PHE B 35 -1.546 4.788 -8.296 1.00 0.00 C ATOM 589 CD1 PHE B 35 -2.793 4.265 -7.937 1.00 0.00 C ATOM 590 CD2 PHE B 35 -1.150 4.793 -9.630 1.00 0.00 C ATOM 591 CE1 PHE B 35 -3.644 3.749 -8.921 1.00 0.00 C ATOM 592 CE2 PHE B 35 -1.997 4.278 -10.618 1.00 0.00 C ATOM 593 CZ PHE B 35 -3.246 3.756 -10.263 1.00 0.00 C ATOM 0 H PHE B 35 -1.736 4.381 -5.241 1.00 0.00 H new ATOM 0 HA PHE B 35 0.093 3.318 -7.068 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.171 6.003 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE B 35 0.157 5.949 -7.713 1.00 0.00 H new ATOM 0 HD1 PHE B 35 -3.099 4.259 -6.901 1.00 0.00 H new ATOM 0 HD2 PHE B 35 -0.186 5.196 -9.904 1.00 0.00 H new ATOM 0 HE1 PHE B 35 -4.607 3.346 -8.645 1.00 0.00 H new ATOM 0 HE2 PHE B 35 -1.687 4.283 -11.653 1.00 0.00 H new ATOM 0 HZ PHE B 35 -3.902 3.359 -11.024 1.00 0.00 H new ATOM 603 N GLU B 36 1.477 5.166 -4.811 1.00 0.00 N ATOM 604 CA GLU B 36 2.758 5.609 -4.226 1.00 0.00 C ATOM 605 C GLU B 36 3.831 4.523 -4.390 1.00 0.00 C ATOM 606 O GLU B 36 5.013 4.800 -4.353 1.00 0.00 O ATOM 607 CB GLU B 36 2.513 5.895 -2.740 1.00 0.00 C ATOM 608 CG GLU B 36 2.304 4.588 -1.960 1.00 0.00 C ATOM 609 CD GLU B 36 3.654 3.951 -1.619 1.00 0.00 C ATOM 610 OE1 GLU B 36 4.522 4.664 -1.144 1.00 0.00 O ATOM 611 OE2 GLU B 36 3.798 2.760 -1.842 1.00 0.00 O ATOM 0 H GLU B 36 0.663 5.332 -4.219 1.00 0.00 H new ATOM 0 HA GLU B 36 3.116 6.504 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU B 36 3.361 6.440 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU B 36 1.638 6.535 -2.628 1.00 0.00 H new ATOM 0 HG2 GLU B 36 1.747 4.788 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU B 36 1.706 3.895 -2.552 1.00 0.00 H new ATOM 618 N GLU B 37 3.434 3.290 -4.577 1.00 0.00 N ATOM 619 CA GLU B 37 4.440 2.198 -4.748 1.00 0.00 C ATOM 620 C GLU B 37 4.799 2.117 -6.221 1.00 0.00 C ATOM 621 O GLU B 37 5.852 1.652 -6.609 1.00 0.00 O ATOM 622 CB GLU B 37 3.837 0.866 -4.290 1.00 0.00 C ATOM 623 CG GLU B 37 4.949 -0.176 -4.143 1.00 0.00 C ATOM 624 CD GLU B 37 5.814 0.170 -2.928 1.00 0.00 C ATOM 625 OE1 GLU B 37 5.443 1.076 -2.201 1.00 0.00 O ATOM 626 OE2 GLU B 37 6.831 -0.480 -2.746 1.00 0.00 O ATOM 0 H GLU B 37 2.459 2.993 -4.619 1.00 0.00 H new ATOM 0 HA GLU B 37 5.329 2.404 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU B 37 3.319 0.997 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU B 37 3.096 0.523 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU B 37 4.518 -1.170 -4.025 1.00 0.00 H new ATOM 0 HG3 GLU B 37 5.562 -0.200 -5.044 1.00 0.00 H new ATOM 633 N GLU B 38 3.898 2.565 -7.033 1.00 0.00 N ATOM 634 CA GLU B 38 4.093 2.540 -8.498 1.00 0.00 C ATOM 635 C GLU B 38 4.896 3.784 -8.915 1.00 0.00 C ATOM 636 O GLU B 38 5.470 3.832 -9.984 1.00 0.00 O ATOM 637 CB GLU B 38 2.679 2.503 -9.132 1.00 0.00 C ATOM 638 CG GLU B 38 2.529 3.533 -10.256 1.00 0.00 C ATOM 639 CD GLU B 38 1.207 3.304 -10.990 1.00 0.00 C ATOM 640 OE1 GLU B 38 0.321 2.707 -10.399 1.00 0.00 O ATOM 641 OE2 GLU B 38 1.102 3.729 -12.128 1.00 0.00 O ATOM 0 H GLU B 38 3.007 2.960 -6.733 1.00 0.00 H new ATOM 0 HA GLU B 38 4.659 1.671 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU B 38 2.484 1.505 -9.525 1.00 0.00 H new ATOM 0 HB3 GLU B 38 1.931 2.694 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU B 38 2.558 4.542 -9.844 1.00 0.00 H new ATOM 0 HG3 GLU B 38 3.363 3.449 -10.953 1.00 0.00 H new ATOM 648 N ARG B 39 4.929 4.788 -8.080 1.00 0.00 N ATOM 649 CA ARG B 39 5.682 6.036 -8.419 1.00 0.00 C ATOM 650 C ARG B 39 7.035 5.691 -9.045 1.00 0.00 C ATOM 651 O ARG B 39 7.327 6.048 -10.168 1.00 0.00 O ATOM 652 CB ARG B 39 5.932 6.822 -7.134 1.00 0.00 C ATOM 653 CG ARG B 39 6.425 8.227 -7.484 1.00 0.00 C ATOM 654 CD ARG B 39 6.840 8.965 -6.207 1.00 0.00 C ATOM 655 NE ARG B 39 5.796 8.783 -5.143 1.00 0.00 N ATOM 656 CZ ARG B 39 4.547 9.118 -5.339 1.00 0.00 C ATOM 657 NH1 ARG B 39 4.196 9.781 -6.406 1.00 0.00 N ATOM 658 NH2 ARG B 39 3.651 8.832 -4.434 1.00 0.00 N ATOM 0 H ARG B 39 4.465 4.800 -7.172 1.00 0.00 H new ATOM 0 HA ARG B 39 5.096 6.622 -9.128 1.00 0.00 H new ATOM 0 HB2 ARG B 39 5.015 6.882 -6.548 1.00 0.00 H new ATOM 0 HB3 ARG B 39 6.671 6.308 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG B 39 7.270 8.165 -8.170 1.00 0.00 H new ATOM 0 HG3 ARG B 39 5.638 8.781 -7.996 1.00 0.00 H new ATOM 0 HD2 ARG B 39 7.799 8.586 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG B 39 6.974 10.026 -6.418 1.00 0.00 H new ATOM 0 HE ARG B 39 6.068 8.387 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG B 39 4.898 10.043 -7.098 1.00 0.00 H new ATOM 0 HH12 ARG B 39 3.219 10.037 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG B 39 3.926 8.349 -3.579 1.00 0.00 H new ATOM 0 HH22 ARG B 39 2.676 9.091 -4.582 1.00 0.00 H new ATOM 672 N ALA B 40 7.861 5.010 -8.311 1.00 0.00 N ATOM 673 CA ALA B 40 9.209 4.642 -8.834 1.00 0.00 C ATOM 674 C ALA B 40 9.085 4.015 -10.228 1.00 0.00 C ATOM 675 O ALA B 40 9.867 4.298 -11.113 1.00 0.00 O ATOM 676 CB ALA B 40 9.858 3.637 -7.882 1.00 0.00 C ATOM 0 H ALA B 40 7.663 4.688 -7.364 1.00 0.00 H new ATOM 0 HA ALA B 40 9.823 5.540 -8.904 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.844 3.364 -8.258 1.00 0.00 H new ATOM 0 HB2 ALA B 40 9.958 4.085 -6.893 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.235 2.745 -7.815 1.00 0.00 H new ATOM 682 N ARG B 41 8.119 3.157 -10.429 1.00 0.00 N ATOM 683 CA ARG B 41 7.957 2.504 -11.766 1.00 0.00 C ATOM 684 C ARG B 41 7.044 3.354 -12.659 1.00 0.00 C ATOM 685 O ARG B 41 6.877 3.081 -13.830 1.00 0.00 O ATOM 686 CB ARG B 41 7.335 1.113 -11.573 1.00 0.00 C ATOM 687 CG ARG B 41 7.585 0.253 -12.818 1.00 0.00 C ATOM 688 CD ARG B 41 6.820 -1.067 -12.696 1.00 0.00 C ATOM 689 NE ARG B 41 7.507 -1.950 -11.711 1.00 0.00 N ATOM 690 CZ ARG B 41 6.892 -2.998 -11.235 1.00 0.00 C ATOM 691 NH1 ARG B 41 5.678 -3.275 -11.626 1.00 0.00 N ATOM 692 NH2 ARG B 41 7.490 -3.768 -10.368 1.00 0.00 N ATOM 0 H ARG B 41 7.434 2.879 -9.726 1.00 0.00 H new ATOM 0 HA ARG B 41 8.932 2.411 -12.244 1.00 0.00 H new ATOM 0 HB2 ARG B 41 7.765 0.631 -10.695 1.00 0.00 H new ATOM 0 HB3 ARG B 41 6.264 1.206 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG B 41 7.265 0.789 -13.712 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.652 0.057 -12.928 1.00 0.00 H new ATOM 0 HD2 ARG B 41 5.795 -0.878 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.766 -1.560 -13.667 1.00 0.00 H new ATOM 0 HE ARG B 41 8.457 -1.735 -11.409 1.00 0.00 H new ATOM 0 HH11 ARG B 41 5.210 -2.673 -12.303 1.00 0.00 H new ATOM 0 HH12 ARG B 41 5.197 -4.094 -11.254 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.438 -3.551 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG B 41 7.009 -4.587 -9.996 1.00 0.00 H new ATOM 706 N ALA B 42 6.444 4.375 -12.116 1.00 0.00 N ATOM 707 CA ALA B 42 5.536 5.226 -12.939 1.00 0.00 C ATOM 708 C ALA B 42 6.301 5.806 -14.132 1.00 0.00 C ATOM 709 O ALA B 42 7.332 5.302 -14.530 1.00 0.00 O ATOM 710 CB ALA B 42 4.988 6.367 -12.080 1.00 0.00 C ATOM 0 H ALA B 42 6.541 4.658 -11.141 1.00 0.00 H new ATOM 0 HA ALA B 42 4.711 4.616 -13.307 1.00 0.00 H new ATOM 0 HB1 ALA B 42 4.325 6.989 -12.681 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.434 5.954 -11.237 1.00 0.00 H new ATOM 0 HB3 ALA B 42 5.815 6.972 -11.709 1.00 0.00 H new ATOM 716 N LYS B 43 5.796 6.865 -14.705 1.00 0.00 N ATOM 717 CA LYS B 43 6.478 7.489 -15.876 1.00 0.00 C ATOM 718 C LYS B 43 6.790 6.413 -16.927 1.00 0.00 C ATOM 719 O LYS B 43 6.191 5.356 -16.944 1.00 0.00 O ATOM 720 CB LYS B 43 7.776 8.183 -15.416 1.00 0.00 C ATOM 721 CG LYS B 43 7.617 8.663 -13.967 1.00 0.00 C ATOM 722 CD LYS B 43 8.684 9.714 -13.644 1.00 0.00 C ATOM 723 CE LYS B 43 10.080 9.091 -13.746 1.00 0.00 C ATOM 724 NZ LYS B 43 10.112 7.803 -12.993 1.00 0.00 N ATOM 0 H LYS B 43 4.936 7.327 -14.411 1.00 0.00 H new ATOM 0 HA LYS B 43 5.821 8.236 -16.322 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.616 7.492 -15.491 1.00 0.00 H new ATOM 0 HB3 LYS B 43 7.999 9.028 -16.067 1.00 0.00 H new ATOM 0 HG2 LYS B 43 6.623 9.086 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS B 43 7.707 7.819 -13.283 1.00 0.00 H new ATOM 0 HD2 LYS B 43 8.600 10.554 -14.334 1.00 0.00 H new ATOM 0 HD3 LYS B 43 8.525 10.109 -12.641 1.00 0.00 H new ATOM 0 HE2 LYS B 43 10.336 8.919 -14.791 1.00 0.00 H new ATOM 0 HE3 LYS B 43 10.825 9.777 -13.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 11.085 7.606 -12.684 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 9.492 7.872 -12.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 9.781 7.033 -13.608 1.00 0.00 H new ATOM 738 N TRP B 44 7.718 6.679 -17.808 1.00 0.00 N ATOM 739 CA TRP B 44 8.065 5.681 -18.864 1.00 0.00 C ATOM 740 C TRP B 44 9.098 4.690 -18.322 1.00 0.00 C ATOM 741 O TRP B 44 9.645 4.870 -17.252 1.00 0.00 O ATOM 742 CB TRP B 44 8.653 6.413 -20.073 1.00 0.00 C ATOM 743 CG TRP B 44 9.745 7.319 -19.608 1.00 0.00 C ATOM 744 CD1 TRP B 44 11.069 7.065 -19.719 1.00 0.00 C ATOM 745 CD2 TRP B 44 9.629 8.615 -18.956 1.00 0.00 C ATOM 746 NE1 TRP B 44 11.773 8.122 -19.171 1.00 0.00 N ATOM 747 CE2 TRP B 44 10.928 9.103 -18.687 1.00 0.00 C ATOM 748 CE3 TRP B 44 8.531 9.406 -18.575 1.00 0.00 C ATOM 749 CZ2 TRP B 44 11.132 10.332 -18.060 1.00 0.00 C ATOM 750 CZ3 TRP B 44 8.732 10.643 -17.943 1.00 0.00 C ATOM 751 CH2 TRP B 44 10.029 11.104 -17.686 1.00 0.00 C ATOM 0 H TRP B 44 8.253 7.547 -17.842 1.00 0.00 H new ATOM 0 HA TRP B 44 7.167 5.139 -19.159 1.00 0.00 H new ATOM 0 HB2 TRP B 44 9.041 5.695 -20.796 1.00 0.00 H new ATOM 0 HB3 TRP B 44 7.877 6.987 -20.579 1.00 0.00 H new ATOM 0 HD1 TRP B 44 11.505 6.182 -20.163 1.00 0.00 H new ATOM 0 HE1 TRP B 44 12.791 8.172 -19.129 1.00 0.00 H new ATOM 0 HE3 TRP B 44 7.527 9.060 -18.770 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 12.134 10.684 -17.865 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 7.882 11.243 -17.653 1.00 0.00 H new ATOM 0 HH2 TRP B 44 10.177 12.056 -17.199 1.00 0.00 H new ATOM 762 N ASP B 45 9.369 3.643 -19.056 1.00 0.00 N ATOM 763 CA ASP B 45 10.367 2.635 -18.593 1.00 0.00 C ATOM 764 C ASP B 45 11.770 3.075 -19.018 1.00 0.00 C ATOM 765 O ASP B 45 11.933 3.881 -19.912 1.00 0.00 O ATOM 766 CB ASP B 45 10.048 1.279 -19.225 1.00 0.00 C ATOM 767 CG ASP B 45 11.145 0.274 -18.867 1.00 0.00 C ATOM 768 OD1 ASP B 45 11.718 0.408 -17.799 1.00 0.00 O ATOM 769 OD2 ASP B 45 11.392 -0.612 -19.668 1.00 0.00 O ATOM 0 H ASP B 45 8.940 3.442 -19.960 1.00 0.00 H new ATOM 0 HA ASP B 45 10.324 2.552 -17.507 1.00 0.00 H new ATOM 0 HB2 ASP B 45 9.082 0.920 -18.870 1.00 0.00 H new ATOM 0 HB3 ASP B 45 9.973 1.380 -20.308 1.00 0.00 H new ATOM 774 N THR B 46 12.785 2.548 -18.389 1.00 0.00 N ATOM 775 CA THR B 46 14.174 2.939 -18.764 1.00 0.00 C ATOM 776 C THR B 46 14.414 2.606 -20.237 1.00 0.00 C ATOM 777 O THR B 46 14.174 3.413 -21.113 1.00 0.00 O ATOM 778 CB THR B 46 15.174 2.171 -17.895 1.00 0.00 C ATOM 779 OG1 THR B 46 14.977 2.518 -16.531 1.00 0.00 O ATOM 780 CG2 THR B 46 16.601 2.529 -18.316 1.00 0.00 C ATOM 0 H THR B 46 12.713 1.866 -17.634 1.00 0.00 H new ATOM 0 HA THR B 46 14.307 4.009 -18.607 1.00 0.00 H new ATOM 0 HB THR B 46 15.020 1.100 -18.023 1.00 0.00 H new ATOM 0 HG1 THR B 46 15.615 2.026 -15.973 1.00 0.00 H new ATOM 0 HG21 THR B 46 17.311 1.982 -17.696 1.00 0.00 H new ATOM 0 HG22 THR B 46 16.750 2.261 -19.362 1.00 0.00 H new ATOM 0 HG23 THR B 46 16.760 3.600 -18.190 1.00 0.00 H new ATOM 788 N ALA B 47 14.886 1.422 -20.519 1.00 0.00 N ATOM 789 CA ALA B 47 15.141 1.037 -21.935 1.00 0.00 C ATOM 790 C ALA B 47 15.601 -0.421 -21.990 1.00 0.00 C ATOM 791 O ALA B 47 14.858 -1.303 -22.373 1.00 0.00 O ATOM 792 CB ALA B 47 16.229 1.941 -22.523 1.00 0.00 C ATOM 0 H ALA B 47 15.106 0.704 -19.828 1.00 0.00 H new ATOM 0 HA ALA B 47 14.225 1.151 -22.514 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.415 1.659 -23.559 1.00 0.00 H new ATOM 0 HB2 ALA B 47 15.900 2.979 -22.483 1.00 0.00 H new ATOM 0 HB3 ALA B 47 17.147 1.829 -21.946 1.00 0.00 H new ATOM 798 N ASN B 48 16.825 -0.682 -21.613 1.00 0.00 N ATOM 799 CA ASN B 48 17.339 -2.083 -21.646 1.00 0.00 C ATOM 800 C ASN B 48 16.962 -2.803 -20.346 1.00 0.00 C ATOM 801 O ASN B 48 15.803 -3.033 -20.066 1.00 0.00 O ATOM 802 CB ASN B 48 18.862 -2.057 -21.794 1.00 0.00 C ATOM 803 CG ASN B 48 19.463 -1.167 -20.705 1.00 0.00 C ATOM 804 OD1 ASN B 48 19.951 -1.657 -19.705 1.00 0.00 O ATOM 805 ND2 ASN B 48 19.447 0.129 -20.856 1.00 0.00 N ATOM 0 H ASN B 48 17.492 0.016 -21.283 1.00 0.00 H new ATOM 0 HA ASN B 48 16.897 -2.613 -22.490 1.00 0.00 H new ATOM 0 HB2 ASN B 48 19.263 -3.067 -21.716 1.00 0.00 H new ATOM 0 HB3 ASN B 48 19.136 -1.680 -22.779 1.00 0.00 H new ATOM 0 HD21 ASN B 48 19.844 0.731 -20.135 1.00 0.00 H new ATOM 0 HD22 ASN B 48 19.038 0.540 -21.695 1.00 0.00 H new ATOM 812 N ASN B 49 17.941 -3.164 -19.553 1.00 0.00 N ATOM 813 CA ASN B 49 17.665 -3.879 -18.266 1.00 0.00 C ATOM 814 C ASN B 49 18.588 -3.309 -17.166 1.00 0.00 C ATOM 815 O ASN B 49 19.753 -3.654 -17.135 1.00 0.00 O ATOM 816 CB ASN B 49 17.987 -5.366 -18.449 1.00 0.00 C ATOM 817 CG ASN B 49 16.886 -6.035 -19.274 1.00 0.00 C ATOM 818 OD1 ASN B 49 16.011 -5.372 -19.793 1.00 0.00 O ATOM 819 ND2 ASN B 49 16.893 -7.332 -19.416 1.00 0.00 N ATOM 0 H ASN B 49 18.928 -2.993 -19.743 1.00 0.00 H new ATOM 0 HA ASN B 49 16.620 -3.748 -17.985 1.00 0.00 H new ATOM 0 HB2 ASN B 49 18.949 -5.481 -18.948 1.00 0.00 H new ATOM 0 HB3 ASN B 49 18.072 -5.852 -17.477 1.00 0.00 H new ATOM 0 HD21 ASN B 49 16.163 -7.789 -19.963 1.00 0.00 H new ATOM 0 HD22 ASN B 49 17.628 -7.889 -18.980 1.00 0.00 H new ATOM 826 N PRO B 50 18.079 -2.452 -16.292 1.00 0.00 N ATOM 827 CA PRO B 50 18.921 -1.870 -15.226 1.00 0.00 C ATOM 828 C PRO B 50 19.515 -2.988 -14.354 1.00 0.00 C ATOM 829 O PRO B 50 19.747 -4.088 -14.814 1.00 0.00 O ATOM 830 CB PRO B 50 17.971 -0.948 -14.424 1.00 0.00 C ATOM 831 CG PRO B 50 16.607 -0.923 -15.172 1.00 0.00 C ATOM 832 CD PRO B 50 16.670 -1.994 -16.283 1.00 0.00 C ATOM 0 HA PRO B 50 19.771 -1.309 -15.614 1.00 0.00 H new ATOM 0 HB2 PRO B 50 17.844 -1.319 -13.407 1.00 0.00 H new ATOM 0 HB3 PRO B 50 18.385 0.057 -14.348 1.00 0.00 H new ATOM 0 HG2 PRO B 50 15.788 -1.132 -14.484 1.00 0.00 H new ATOM 0 HG3 PRO B 50 16.421 0.063 -15.599 1.00 0.00 H new ATOM 0 HD2 PRO B 50 15.988 -2.819 -16.076 1.00 0.00 H new ATOM 0 HD3 PRO B 50 16.384 -1.578 -17.249 1.00 0.00 H new ATOM 840 N LEU B 51 19.770 -2.716 -13.102 1.00 0.00 N ATOM 841 CA LEU B 51 20.358 -3.766 -12.219 1.00 0.00 C ATOM 842 C LEU B 51 21.596 -4.354 -12.903 1.00 0.00 C ATOM 843 O LEU B 51 21.512 -5.312 -13.644 1.00 0.00 O ATOM 844 CB LEU B 51 19.324 -4.876 -11.978 1.00 0.00 C ATOM 845 CG LEU B 51 18.333 -4.434 -10.897 1.00 0.00 C ATOM 846 CD1 LEU B 51 17.556 -3.207 -11.382 1.00 0.00 C ATOM 847 CD2 LEU B 51 17.353 -5.576 -10.608 1.00 0.00 C ATOM 0 H LEU B 51 19.598 -1.816 -12.654 1.00 0.00 H new ATOM 0 HA LEU B 51 20.639 -3.328 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU B 51 18.792 -5.098 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU B 51 19.826 -5.793 -11.671 1.00 0.00 H new ATOM 0 HG LEU B 51 18.878 -4.181 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU B 51 16.852 -2.894 -10.611 1.00 0.00 H new ATOM 0 HD12 LEU B 51 18.252 -2.394 -11.589 1.00 0.00 H new ATOM 0 HD13 LEU B 51 17.011 -3.458 -12.292 1.00 0.00 H new ATOM 0 HD21 LEU B 51 16.647 -5.263 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU B 51 16.810 -5.828 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU B 51 17.905 -6.450 -10.261 1.00 0.00 H new ATOM 859 N TYR B 52 22.745 -3.782 -12.662 1.00 0.00 N ATOM 860 CA TYR B 52 23.987 -4.302 -13.302 1.00 0.00 C ATOM 861 C TYR B 52 24.390 -5.626 -12.647 1.00 0.00 C ATOM 862 O TYR B 52 24.268 -5.800 -11.451 1.00 0.00 O ATOM 863 CB TYR B 52 25.116 -3.284 -13.127 1.00 0.00 C ATOM 864 CG TYR B 52 24.789 -2.031 -13.904 1.00 0.00 C ATOM 865 CD1 TYR B 52 25.022 -1.982 -15.283 1.00 0.00 C ATOM 866 CD2 TYR B 52 24.253 -0.918 -13.244 1.00 0.00 C ATOM 867 CE1 TYR B 52 24.718 -0.820 -16.004 1.00 0.00 C ATOM 868 CE2 TYR B 52 23.949 0.244 -13.965 1.00 0.00 C ATOM 869 CZ TYR B 52 24.181 0.292 -15.345 1.00 0.00 C ATOM 870 OH TYR B 52 23.882 1.436 -16.056 1.00 0.00 O ATOM 0 H TYR B 52 22.877 -2.977 -12.050 1.00 0.00 H new ATOM 0 HA TYR B 52 23.803 -4.465 -14.364 1.00 0.00 H new ATOM 0 HB2 TYR B 52 25.246 -3.047 -12.071 1.00 0.00 H new ATOM 0 HB3 TYR B 52 26.058 -3.706 -13.477 1.00 0.00 H new ATOM 0 HD1 TYR B 52 25.436 -2.840 -15.791 1.00 0.00 H new ATOM 0 HD2 TYR B 52 24.074 -0.956 -12.180 1.00 0.00 H new ATOM 0 HE1 TYR B 52 24.898 -0.782 -17.068 1.00 0.00 H new ATOM 0 HE2 TYR B 52 23.536 1.103 -13.457 1.00 0.00 H new ATOM 0 HH TYR B 52 23.516 2.113 -15.449 1.00 0.00 H new ATOM 880 N LYS B 53 24.876 -6.558 -13.422 1.00 0.00 N ATOM 881 CA LYS B 53 25.293 -7.868 -12.846 1.00 0.00 C ATOM 882 C LYS B 53 24.195 -8.397 -11.919 1.00 0.00 C ATOM 883 O LYS B 53 24.321 -8.367 -10.711 1.00 0.00 O ATOM 884 CB LYS B 53 26.586 -7.682 -12.047 1.00 0.00 C ATOM 885 CG LYS B 53 27.146 -9.050 -11.648 1.00 0.00 C ATOM 886 CD LYS B 53 28.565 -8.882 -11.094 1.00 0.00 C ATOM 887 CE LYS B 53 28.526 -8.048 -9.809 1.00 0.00 C ATOM 888 NZ LYS B 53 29.780 -8.272 -9.035 1.00 0.00 N ATOM 0 H LYS B 53 25.002 -6.468 -14.430 1.00 0.00 H new ATOM 0 HA LYS B 53 25.459 -8.582 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS B 53 27.319 -7.138 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS B 53 26.392 -7.084 -11.157 1.00 0.00 H new ATOM 0 HG2 LYS B 53 26.504 -9.512 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS B 53 27.158 -9.715 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS B 53 29.004 -9.859 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS B 53 29.199 -8.395 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS B 53 28.419 -6.991 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS B 53 27.660 -8.326 -9.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 29.755 -7.707 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 29.863 -9.280 -8.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 30.598 -7.986 -9.610 1.00 0.00 H new ATOM 902 N GLU B 54 23.118 -8.882 -12.474 1.00 0.00 N ATOM 903 CA GLU B 54 22.015 -9.411 -11.622 1.00 0.00 C ATOM 904 C GLU B 54 22.371 -10.823 -11.148 1.00 0.00 C ATOM 905 O GLU B 54 22.173 -11.170 -10.000 1.00 0.00 O ATOM 906 CB GLU B 54 20.718 -9.456 -12.435 1.00 0.00 C ATOM 907 CG GLU B 54 20.857 -10.473 -13.572 1.00 0.00 C ATOM 908 CD GLU B 54 19.740 -10.257 -14.593 1.00 0.00 C ATOM 909 OE1 GLU B 54 19.769 -9.242 -15.270 1.00 0.00 O ATOM 910 OE2 GLU B 54 18.874 -11.112 -14.685 1.00 0.00 O ATOM 0 H GLU B 54 22.954 -8.935 -13.479 1.00 0.00 H new ATOM 0 HA GLU B 54 21.878 -8.761 -10.758 1.00 0.00 H new ATOM 0 HB2 GLU B 54 19.882 -9.729 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU B 54 20.498 -8.469 -12.842 1.00 0.00 H new ATOM 0 HG2 GLU B 54 21.829 -10.365 -14.053 1.00 0.00 H new ATOM 0 HG3 GLU B 54 20.809 -11.487 -13.174 1.00 0.00 H new ATOM 917 N ALA B 55 22.892 -11.639 -12.024 1.00 0.00 N ATOM 918 CA ALA B 55 23.258 -13.028 -11.628 1.00 0.00 C ATOM 919 C ALA B 55 23.898 -13.739 -12.823 1.00 0.00 C ATOM 920 O ALA B 55 24.249 -14.899 -12.751 1.00 0.00 O ATOM 921 CB ALA B 55 21.999 -13.786 -11.197 1.00 0.00 C ATOM 0 H ALA B 55 23.080 -11.403 -12.998 1.00 0.00 H new ATOM 0 HA ALA B 55 23.963 -12.998 -10.797 1.00 0.00 H new ATOM 0 HB1 ALA B 55 22.267 -14.802 -10.907 1.00 0.00 H new ATOM 0 HB2 ALA B 55 21.540 -13.277 -10.350 1.00 0.00 H new ATOM 0 HB3 ALA B 55 21.293 -13.820 -12.027 1.00 0.00 H new ATOM 927 N THR B 56 24.046 -13.047 -13.922 1.00 0.00 N ATOM 928 CA THR B 56 24.659 -13.671 -15.131 1.00 0.00 C ATOM 929 C THR B 56 23.792 -14.845 -15.598 1.00 0.00 C ATOM 930 O THR B 56 23.105 -14.759 -16.597 1.00 0.00 O ATOM 931 CB THR B 56 26.072 -14.169 -14.795 1.00 0.00 C ATOM 932 OG1 THR B 56 26.724 -13.214 -13.968 1.00 0.00 O ATOM 933 CG2 THR B 56 26.873 -14.356 -16.086 1.00 0.00 C ATOM 0 H THR B 56 23.767 -12.072 -14.034 1.00 0.00 H new ATOM 0 HA THR B 56 24.721 -12.931 -15.929 1.00 0.00 H new ATOM 0 HB THR B 56 26.005 -15.122 -14.271 1.00 0.00 H new ATOM 0 HG1 THR B 56 27.626 -13.531 -13.751 1.00 0.00 H new ATOM 0 HG21 THR B 56 27.875 -14.709 -15.844 1.00 0.00 H new ATOM 0 HG22 THR B 56 26.374 -15.088 -16.721 1.00 0.00 H new ATOM 0 HG23 THR B 56 26.941 -13.404 -16.613 1.00 0.00 H new ATOM 941 N SER B 57 23.816 -15.940 -14.887 1.00 0.00 N ATOM 942 CA SER B 57 22.992 -17.116 -15.294 1.00 0.00 C ATOM 943 C SER B 57 22.703 -17.988 -14.072 1.00 0.00 C ATOM 944 O SER B 57 21.619 -17.967 -13.523 1.00 0.00 O ATOM 945 CB SER B 57 23.754 -17.936 -16.334 1.00 0.00 C ATOM 946 OG SER B 57 23.132 -19.206 -16.478 1.00 0.00 O ATOM 0 H SER B 57 24.371 -16.072 -14.041 1.00 0.00 H new ATOM 0 HA SER B 57 22.052 -16.768 -15.721 1.00 0.00 H new ATOM 0 HB2 SER B 57 23.764 -17.413 -17.290 1.00 0.00 H new ATOM 0 HB3 SER B 57 24.793 -18.060 -16.027 1.00 0.00 H new ATOM 0 HG SER B 57 23.617 -19.734 -17.146 1.00 0.00 H new ATOM 952 N THR B 58 23.664 -18.761 -13.643 1.00 0.00 N ATOM 953 CA THR B 58 23.442 -19.638 -12.458 1.00 0.00 C ATOM 954 C THR B 58 23.144 -18.774 -11.231 1.00 0.00 C ATOM 955 O THR B 58 23.921 -17.918 -10.859 1.00 0.00 O ATOM 956 CB THR B 58 24.698 -20.476 -12.198 1.00 0.00 C ATOM 957 OG1 THR B 58 24.707 -20.902 -10.843 1.00 0.00 O ATOM 958 CG2 THR B 58 25.945 -19.634 -12.478 1.00 0.00 C ATOM 0 H THR B 58 24.592 -18.823 -14.061 1.00 0.00 H new ATOM 0 HA THR B 58 22.597 -20.299 -12.651 1.00 0.00 H new ATOM 0 HB THR B 58 24.697 -21.346 -12.854 1.00 0.00 H new ATOM 0 HG1 THR B 58 25.166 -20.233 -10.293 1.00 0.00 H new ATOM 0 HG21 THR B 58 26.837 -20.232 -12.292 1.00 0.00 H new ATOM 0 HG22 THR B 58 25.937 -19.307 -13.518 1.00 0.00 H new ATOM 0 HG23 THR B 58 25.950 -18.762 -11.824 1.00 0.00 H new ATOM 966 N PHE B 59 22.023 -18.993 -10.598 1.00 0.00 N ATOM 967 CA PHE B 59 21.678 -18.185 -9.395 1.00 0.00 C ATOM 968 C PHE B 59 22.538 -18.640 -8.214 1.00 0.00 C ATOM 969 O PHE B 59 23.177 -17.844 -7.556 1.00 0.00 O ATOM 970 CB PHE B 59 20.199 -18.381 -9.055 1.00 0.00 C ATOM 971 CG PHE B 59 19.862 -19.851 -9.095 1.00 0.00 C ATOM 972 CD1 PHE B 59 19.480 -20.451 -10.301 1.00 0.00 C ATOM 973 CD2 PHE B 59 19.930 -20.617 -7.923 1.00 0.00 C ATOM 974 CE1 PHE B 59 19.167 -21.814 -10.337 1.00 0.00 C ATOM 975 CE2 PHE B 59 19.617 -21.981 -7.959 1.00 0.00 C ATOM 976 CZ PHE B 59 19.234 -22.580 -9.166 1.00 0.00 C ATOM 0 H PHE B 59 21.333 -19.696 -10.862 1.00 0.00 H new ATOM 0 HA PHE B 59 21.866 -17.131 -9.598 1.00 0.00 H new ATOM 0 HB2 PHE B 59 19.986 -17.975 -8.066 1.00 0.00 H new ATOM 0 HB3 PHE B 59 19.577 -17.835 -9.764 1.00 0.00 H new ATOM 0 HD1 PHE B 59 19.427 -19.861 -11.204 1.00 0.00 H new ATOM 0 HD2 PHE B 59 20.224 -20.155 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE B 59 18.874 -22.276 -11.268 1.00 0.00 H new ATOM 0 HE2 PHE B 59 19.671 -22.571 -7.056 1.00 0.00 H new ATOM 0 HZ PHE B 59 18.990 -23.632 -9.194 1.00 0.00 H new ATOM 986 N THR B 60 22.560 -19.915 -7.942 1.00 0.00 N ATOM 987 CA THR B 60 23.380 -20.420 -6.804 1.00 0.00 C ATOM 988 C THR B 60 24.852 -20.079 -7.046 1.00 0.00 C ATOM 989 O THR B 60 25.359 -20.221 -8.142 1.00 0.00 O ATOM 990 CB THR B 60 23.220 -21.938 -6.692 1.00 0.00 C ATOM 991 OG1 THR B 60 24.302 -22.472 -5.941 1.00 0.00 O ATOM 992 CG2 THR B 60 23.212 -22.556 -8.090 1.00 0.00 C ATOM 0 H THR B 60 22.046 -20.629 -8.458 1.00 0.00 H new ATOM 0 HA THR B 60 23.045 -19.951 -5.879 1.00 0.00 H new ATOM 0 HB THR B 60 22.280 -22.169 -6.190 1.00 0.00 H new ATOM 0 HG1 THR B 60 24.201 -23.444 -5.867 1.00 0.00 H new ATOM 0 HG21 THR B 60 23.098 -23.637 -8.009 1.00 0.00 H new ATOM 0 HG22 THR B 60 22.382 -22.145 -8.665 1.00 0.00 H new ATOM 0 HG23 THR B 60 24.151 -22.327 -8.595 1.00 0.00 H new ATOM 1000 N ASN B 61 25.543 -19.630 -6.033 1.00 0.00 N ATOM 1001 CA ASN B 61 26.980 -19.281 -6.207 1.00 0.00 C ATOM 1002 C ASN B 61 27.820 -20.560 -6.202 1.00 0.00 C ATOM 1003 O ASN B 61 28.103 -21.123 -5.163 1.00 0.00 O ATOM 1004 CB ASN B 61 27.429 -18.374 -5.059 1.00 0.00 C ATOM 1005 CG ASN B 61 28.904 -18.009 -5.240 1.00 0.00 C ATOM 1006 OD1 ASN B 61 29.711 -18.848 -5.590 1.00 0.00 O ATOM 1007 ND2 ASN B 61 29.292 -16.784 -5.016 1.00 0.00 N ATOM 0 H ASN B 61 25.173 -19.490 -5.093 1.00 0.00 H new ATOM 0 HA ASN B 61 27.114 -18.761 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN B 61 26.820 -17.470 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN B 61 27.284 -18.880 -4.104 1.00 0.00 H new ATOM 0 HD21 ASN B 61 30.273 -16.530 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN B 61 28.615 -16.080 -4.722 1.00 0.00 H new ATOM 1014 N ILE B 62 28.222 -21.023 -7.354 1.00 0.00 N ATOM 1015 CA ILE B 62 29.044 -22.264 -7.412 1.00 0.00 C ATOM 1016 C ILE B 62 30.353 -22.043 -6.651 1.00 0.00 C ATOM 1017 O ILE B 62 30.800 -20.927 -6.476 1.00 0.00 O ATOM 1018 CB ILE B 62 29.351 -22.603 -8.873 1.00 0.00 C ATOM 1019 CG1 ILE B 62 28.073 -22.473 -9.714 1.00 0.00 C ATOM 1020 CG2 ILE B 62 29.882 -24.034 -8.966 1.00 0.00 C ATOM 1021 CD1 ILE B 62 26.933 -23.272 -9.070 1.00 0.00 C ATOM 0 H ILE B 62 28.017 -20.595 -8.257 1.00 0.00 H new ATOM 0 HA ILE B 62 28.495 -23.088 -6.956 1.00 0.00 H new ATOM 0 HB ILE B 62 30.104 -21.912 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE B 62 27.789 -21.424 -9.798 1.00 0.00 H new ATOM 0 HG13 ILE B 62 28.256 -22.836 -10.725 1.00 0.00 H new ATOM 0 HG21 ILE B 62 30.100 -24.274 -10.007 1.00 0.00 H new ATOM 0 HG22 ILE B 62 30.793 -24.123 -8.374 1.00 0.00 H new ATOM 0 HG23 ILE B 62 29.132 -24.726 -8.584 1.00 0.00 H new ATOM 0 HD11 ILE B 62 26.032 -23.172 -9.675 1.00 0.00 H new ATOM 0 HD12 ILE B 62 27.215 -24.323 -9.009 1.00 0.00 H new ATOM 0 HD13 ILE B 62 26.741 -22.889 -8.068 1.00 0.00 H new ATOM 1033 N THR B 63 30.969 -23.100 -6.197 1.00 0.00 N ATOM 1034 CA THR B 63 32.247 -22.953 -5.444 1.00 0.00 C ATOM 1035 C THR B 63 33.203 -22.052 -6.229 1.00 0.00 C ATOM 1036 O THR B 63 32.961 -21.719 -7.373 1.00 0.00 O ATOM 1037 CB THR B 63 32.888 -24.330 -5.252 1.00 0.00 C ATOM 1038 OG1 THR B 63 32.873 -25.034 -6.486 1.00 0.00 O ATOM 1039 CG2 THR B 63 32.105 -25.119 -4.202 1.00 0.00 C ATOM 0 H THR B 63 30.643 -24.059 -6.315 1.00 0.00 H new ATOM 0 HA THR B 63 32.044 -22.507 -4.470 1.00 0.00 H new ATOM 0 HB THR B 63 33.918 -24.207 -4.916 1.00 0.00 H new ATOM 0 HG1 THR B 63 33.285 -25.915 -6.365 1.00 0.00 H new ATOM 0 HG21 THR B 63 32.563 -26.099 -4.067 1.00 0.00 H new ATOM 0 HG22 THR B 63 32.119 -24.578 -3.256 1.00 0.00 H new ATOM 0 HG23 THR B 63 31.074 -25.243 -4.534 1.00 0.00 H new ATOM 1047 N TYR B 64 34.289 -21.655 -5.623 1.00 0.00 N ATOM 1048 CA TYR B 64 35.262 -20.775 -6.332 1.00 0.00 C ATOM 1049 C TYR B 64 36.637 -20.897 -5.671 1.00 0.00 C ATOM 1050 O TYR B 64 36.796 -20.634 -4.496 1.00 0.00 O ATOM 1051 CB TYR B 64 34.788 -19.323 -6.255 1.00 0.00 C ATOM 1052 CG TYR B 64 35.766 -18.435 -6.986 1.00 0.00 C ATOM 1053 CD1 TYR B 64 36.875 -17.913 -6.311 1.00 0.00 C ATOM 1054 CD2 TYR B 64 35.564 -18.135 -8.338 1.00 0.00 C ATOM 1055 CE1 TYR B 64 37.784 -17.091 -6.988 1.00 0.00 C ATOM 1056 CE2 TYR B 64 36.472 -17.312 -9.015 1.00 0.00 C ATOM 1057 CZ TYR B 64 37.582 -16.790 -8.341 1.00 0.00 C ATOM 1058 OH TYR B 64 38.477 -15.979 -9.008 1.00 0.00 O ATOM 0 H TYR B 64 34.545 -21.902 -4.667 1.00 0.00 H new ATOM 0 HA TYR B 64 35.332 -21.080 -7.376 1.00 0.00 H new ATOM 0 HB2 TYR B 64 33.796 -19.229 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR B 64 34.705 -19.011 -5.214 1.00 0.00 H new ATOM 0 HD1 TYR B 64 37.030 -18.144 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR B 64 34.708 -18.538 -8.859 1.00 0.00 H new ATOM 0 HE1 TYR B 64 38.641 -16.689 -6.467 1.00 0.00 H new ATOM 0 HE2 TYR B 64 36.316 -17.080 -10.058 1.00 0.00 H new ATOM 0 HH TYR B 64 38.190 -15.872 -9.939 1.00 0.00 H new ATOM 1068 N ARG B 65 37.631 -21.293 -6.418 1.00 0.00 N ATOM 1069 CA ARG B 65 38.996 -21.430 -5.832 1.00 0.00 C ATOM 1070 C ARG B 65 40.032 -21.469 -6.961 1.00 0.00 C ATOM 1071 O ARG B 65 39.993 -22.322 -7.825 1.00 0.00 O ATOM 1072 CB ARG B 65 39.070 -22.723 -5.011 1.00 0.00 C ATOM 1073 CG ARG B 65 38.302 -23.834 -5.729 1.00 0.00 C ATOM 1074 CD ARG B 65 38.485 -25.152 -4.977 1.00 0.00 C ATOM 1075 NE ARG B 65 37.525 -26.163 -5.504 1.00 0.00 N ATOM 1076 CZ ARG B 65 37.693 -27.428 -5.233 1.00 0.00 C ATOM 1077 NH1 ARG B 65 38.702 -27.810 -4.498 1.00 0.00 N ATOM 1078 NH2 ARG B 65 36.852 -28.312 -5.694 1.00 0.00 N ATOM 0 H ARG B 65 37.558 -21.528 -7.408 1.00 0.00 H new ATOM 0 HA ARG B 65 39.205 -20.580 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG B 65 40.110 -23.018 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG B 65 38.650 -22.560 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG B 65 37.244 -23.580 -5.786 1.00 0.00 H new ATOM 0 HG3 ARG B 65 38.661 -23.935 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG B 65 39.508 -25.511 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG B 65 38.320 -25.000 -3.910 1.00 0.00 H new ATOM 0 HE ARG B 65 36.736 -25.865 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG B 65 39.359 -27.119 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG B 65 38.833 -28.799 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG B 65 36.062 -28.014 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG B 65 36.984 -29.301 -5.482 1.00 0.00 H new ATOM 1092 N GLY B 66 40.959 -20.550 -6.957 1.00 0.00 N ATOM 1093 CA GLY B 66 41.998 -20.532 -8.027 1.00 0.00 C ATOM 1094 C GLY B 66 42.769 -19.212 -7.965 1.00 0.00 C ATOM 1095 O GLY B 66 42.660 -18.464 -7.014 1.00 0.00 O ATOM 0 H GLY B 66 41.042 -19.811 -6.259 1.00 0.00 H new ATOM 0 HA2 GLY B 66 42.682 -21.371 -7.899 1.00 0.00 H new ATOM 0 HA3 GLY B 66 41.531 -20.647 -9.005 1.00 0.00 H new ATOM 1099 N THR B 67 43.547 -18.919 -8.971 1.00 0.00 N ATOM 1100 CA THR B 67 44.322 -17.646 -8.966 1.00 0.00 C ATOM 1101 C THR B 67 43.386 -16.478 -9.282 1.00 0.00 C ATOM 1102 O THR B 67 42.783 -16.497 -10.342 1.00 0.00 O ATOM 1103 CB THR B 67 45.426 -17.717 -10.023 1.00 0.00 C ATOM 1104 OG1 THR B 67 46.098 -18.965 -9.921 1.00 0.00 O ATOM 1105 CG2 THR B 67 46.422 -16.579 -9.800 1.00 0.00 C ATOM 1106 OXT THR B 67 43.289 -15.583 -8.458 1.00 0.00 O ATOM 0 H THR B 67 43.679 -19.505 -9.795 1.00 0.00 H new ATOM 0 HA THR B 67 44.770 -17.497 -7.983 1.00 0.00 H new ATOM 0 HB THR B 67 44.986 -17.622 -11.016 1.00 0.00 H new ATOM 0 HG1 THR B 67 46.804 -19.013 -10.599 1.00 0.00 H new ATOM 0 HG21 THR B 67 47.208 -16.631 -10.553 1.00 0.00 H new ATOM 0 HG22 THR B 67 45.905 -15.623 -9.879 1.00 0.00 H new ATOM 0 HG23 THR B 67 46.864 -16.671 -8.808 1.00 0.00 H new TER 1114 THR B 67