USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 781 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 52 THR OG1 : rot 18:sc= -0.403 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 152:sc= 1.15! (180deg=0.0124!) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -13.7! C(o=-15!,f=-17!) USER MOD Set 2.2: A 38 THR OG1 : rot -64:sc= -0.957 USER MOD Set 3.1: A 23 GLN : amide:sc= 0.307 K(o=-1.1,f=-2.4) USER MOD Set 3.2: A 26 GLN : amide:sc= -1.38 K(o=-1.1,f=-14!) USER MOD Set 4.1: A 3 THR OG1 : rot 123:sc= 0.725 USER MOD Set 4.2: A 20 THR OG1 : rot 121:sc= 0.951 USER MOD Single : A 1 SER N :NH3+ -128:sc= 0.771 (180deg=0.00695) USER MOD Single : A 1 SER OG : rot 180:sc= 0.264 USER MOD Single : A 2 ASN : amide:sc= -0.811 K(o=-0.81,f=-3.2!) USER MOD Single : A 5 ASN : amide:sc= -3.14! C(o=-3.1!,f=-4.5!) USER MOD Single : A 14 ASN : amide:sc= -5.44! C(o=-5.4!,f=-16!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= 1.36 (180deg=-0.017) USER MOD Single : A 33 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.56) USER MOD Single : A 36 SER OG : rot 13:sc= 0.245 USER MOD Single : A 39 LYS NZ :NH3+ -156:sc= 1.13 (180deg=-1.05!) USER MOD Single : A 41 ASN : amide:sc= -2.91 K(o=-2.9,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HE2:sc= -13.1! C(o=-13!,f=-7!) USER MOD Single : A 59 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.678) USER MOD Single : A 62 LYS NZ :NH3+ -121:sc= -0.0621 (180deg=-0.723) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.577 USER MOD Single : A 81 LYS NZ :NH3+ -125:sc= 0.404 (180deg=-3.64!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0334) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= 2.25 (180deg=-4.06!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.220 3.192 -6.539 1.00 0.00 N ATOM 2 CA SER A 1 18.815 2.735 -5.242 1.00 0.00 C ATOM 3 C SER A 1 18.348 1.309 -4.911 1.00 0.00 C ATOM 4 O SER A 1 19.129 0.380 -4.948 1.00 0.00 O ATOM 5 CB SER A 1 18.320 3.733 -4.183 1.00 0.00 C ATOM 6 OG SER A 1 17.517 4.734 -4.809 1.00 0.00 O ATOM 0 H1 SER A 1 18.975 3.540 -7.164 1.00 0.00 H new ATOM 0 H2 SER A 1 17.731 2.396 -6.996 1.00 0.00 H new ATOM 0 H3 SER A 1 17.540 3.958 -6.358 1.00 0.00 H new ATOM 0 HA SER A 1 19.904 2.707 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.741 3.212 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.169 4.195 -3.679 1.00 0.00 H new ATOM 0 HG SER A 1 17.200 5.369 -4.133 1.00 0.00 H new ATOM 14 N ASN A 2 17.087 1.125 -4.592 1.00 0.00 N ATOM 15 CA ASN A 2 16.589 -0.248 -4.264 1.00 0.00 C ATOM 16 C ASN A 2 15.095 -0.369 -4.590 1.00 0.00 C ATOM 17 O ASN A 2 14.391 0.618 -4.674 1.00 0.00 O ATOM 18 CB ASN A 2 16.823 -0.409 -2.758 1.00 0.00 C ATOM 19 CG ASN A 2 17.601 -1.702 -2.493 1.00 0.00 C ATOM 20 OD1 ASN A 2 17.398 -2.691 -3.170 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.482 -1.742 -1.533 1.00 0.00 N ATOM 0 H ASN A 2 16.385 1.864 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 2 17.101 -1.017 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.378 0.446 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 2 15.869 -0.433 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.999 -2.602 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 2 18.654 -0.913 -0.964 1.00 0.00 H new ATOM 28 N THR A 3 14.611 -1.571 -4.774 1.00 0.00 N ATOM 29 CA THR A 3 13.159 -1.772 -5.093 1.00 0.00 C ATOM 30 C THR A 3 12.718 -3.169 -4.628 1.00 0.00 C ATOM 31 O THR A 3 13.496 -4.104 -4.647 1.00 0.00 O ATOM 32 CB THR A 3 13.057 -1.633 -6.626 1.00 0.00 C ATOM 33 OG1 THR A 3 11.693 -1.723 -7.031 1.00 0.00 O ATOM 34 CG2 THR A 3 13.865 -2.736 -7.317 1.00 0.00 C ATOM 0 H THR A 3 15.160 -2.429 -4.717 1.00 0.00 H new ATOM 0 HA THR A 3 12.513 -1.052 -4.590 1.00 0.00 H new ATOM 0 HB THR A 3 13.461 -0.662 -6.914 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.446 -0.916 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.783 -2.624 -8.398 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.912 -2.659 -7.023 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.476 -3.711 -7.023 1.00 0.00 H new ATOM 42 N ARG A 4 11.487 -3.316 -4.200 1.00 0.00 N ATOM 43 CA ARG A 4 11.007 -4.655 -3.727 1.00 0.00 C ATOM 44 C ARG A 4 9.874 -5.153 -4.625 1.00 0.00 C ATOM 45 O ARG A 4 8.877 -4.478 -4.794 1.00 0.00 O ATOM 46 CB ARG A 4 10.481 -4.428 -2.304 1.00 0.00 C ATOM 47 CG ARG A 4 11.564 -3.785 -1.434 1.00 0.00 C ATOM 48 CD ARG A 4 12.740 -4.752 -1.279 1.00 0.00 C ATOM 49 NE ARG A 4 13.900 -3.890 -0.921 1.00 0.00 N ATOM 50 CZ ARG A 4 15.083 -4.417 -0.787 1.00 0.00 C ATOM 51 NH1 ARG A 4 15.433 -4.930 0.354 1.00 0.00 N ATOM 52 NH2 ARG A 4 15.908 -4.446 -1.799 1.00 0.00 N ATOM 0 H ARG A 4 10.794 -2.569 -4.157 1.00 0.00 H new ATOM 0 HA ARG A 4 11.802 -5.400 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.600 -3.787 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.171 -5.377 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.903 -2.854 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.156 -3.533 -0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 4 12.543 -5.492 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.925 -5.300 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 4 13.768 -2.888 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.782 -4.919 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.359 -5.344 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 4 15.626 -4.055 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 4 16.834 -4.860 -1.690 1.00 0.00 H new ATOM 66 N ASN A 5 10.010 -6.326 -5.190 1.00 0.00 N ATOM 67 CA ASN A 5 8.927 -6.862 -6.074 1.00 0.00 C ATOM 68 C ASN A 5 7.731 -7.280 -5.222 1.00 0.00 C ATOM 69 O ASN A 5 7.896 -7.897 -4.184 1.00 0.00 O ATOM 70 CB ASN A 5 9.543 -8.084 -6.767 1.00 0.00 C ATOM 71 CG ASN A 5 9.027 -8.179 -8.204 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.933 -7.744 -8.500 1.00 0.00 O ATOM 73 ND2 ASN A 5 9.775 -8.729 -9.117 1.00 0.00 N ATOM 0 H ASN A 5 10.821 -6.935 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 5 8.574 -6.125 -6.795 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.630 -8.005 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.289 -8.991 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.441 -8.794 -10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.695 -9.095 -8.870 1.00 0.00 H new ATOM 80 N PHE A 6 6.532 -6.943 -5.633 1.00 0.00 N ATOM 81 CA PHE A 6 5.339 -7.322 -4.818 1.00 0.00 C ATOM 82 C PHE A 6 4.152 -7.723 -5.714 1.00 0.00 C ATOM 83 O PHE A 6 4.160 -7.514 -6.913 1.00 0.00 O ATOM 84 CB PHE A 6 5.020 -6.072 -3.994 1.00 0.00 C ATOM 85 CG PHE A 6 5.671 -6.185 -2.629 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.260 -7.180 -1.730 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.680 -5.286 -2.259 1.00 0.00 C ATOM 88 CE1 PHE A 6 5.855 -7.273 -0.468 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.275 -5.383 -0.995 1.00 0.00 C ATOM 90 CZ PHE A 6 6.861 -6.375 -0.100 1.00 0.00 C ATOM 0 H PHE A 6 6.331 -6.427 -6.489 1.00 0.00 H new ATOM 0 HA PHE A 6 5.532 -8.190 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.382 -5.182 -4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.941 -5.961 -3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.483 -7.875 -2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.999 -4.518 -2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.537 -8.040 0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.054 -4.691 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.319 -6.447 0.876 1.00 0.00 H new ATOM 100 N VAL A 7 3.144 -8.327 -5.122 1.00 0.00 N ATOM 101 CA VAL A 7 1.948 -8.797 -5.900 1.00 0.00 C ATOM 102 C VAL A 7 0.632 -8.459 -5.159 1.00 0.00 C ATOM 103 O VAL A 7 0.499 -8.721 -3.976 1.00 0.00 O ATOM 104 CB VAL A 7 2.135 -10.322 -5.981 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.274 -10.652 -6.952 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.491 -10.882 -4.589 1.00 0.00 C ATOM 0 H VAL A 7 3.099 -8.516 -4.121 1.00 0.00 H new ATOM 0 HA VAL A 7 1.878 -8.321 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 7 1.206 -10.772 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.404 -11.733 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.032 -10.265 -7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.198 -10.193 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.622 -11.962 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.416 -10.425 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.687 -10.655 -3.889 1.00 0.00 H new ATOM 116 N LEU A 8 -0.343 -7.883 -5.841 1.00 0.00 N ATOM 117 CA LEU A 8 -1.645 -7.531 -5.158 1.00 0.00 C ATOM 118 C LEU A 8 -2.801 -7.364 -6.172 1.00 0.00 C ATOM 119 O LEU A 8 -2.575 -7.182 -7.357 1.00 0.00 O ATOM 120 CB LEU A 8 -1.368 -6.199 -4.444 1.00 0.00 C ATOM 121 CG LEU A 8 -0.722 -5.204 -5.417 1.00 0.00 C ATOM 122 CD1 LEU A 8 -1.307 -3.813 -5.199 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.788 -5.150 -5.179 1.00 0.00 C ATOM 0 H LEU A 8 -0.296 -7.643 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.958 -8.320 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.298 -5.786 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.710 -6.365 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.922 -5.531 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.844 -3.111 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.383 -3.839 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.113 -3.493 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.241 -4.442 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.984 -4.831 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.217 -6.139 -5.339 1.00 0.00 H new ATOM 135 N ARG A 9 -4.047 -7.418 -5.713 1.00 0.00 N ATOM 136 CA ARG A 9 -5.217 -7.257 -6.657 1.00 0.00 C ATOM 137 C ARG A 9 -6.455 -6.591 -5.979 1.00 0.00 C ATOM 138 O ARG A 9 -7.100 -7.186 -5.140 1.00 0.00 O ATOM 139 CB ARG A 9 -5.551 -8.691 -7.087 1.00 0.00 C ATOM 140 CG ARG A 9 -6.728 -8.688 -8.069 1.00 0.00 C ATOM 141 CD ARG A 9 -6.246 -8.244 -9.453 1.00 0.00 C ATOM 142 NE ARG A 9 -7.476 -7.780 -10.158 1.00 0.00 N ATOM 143 CZ ARG A 9 -7.488 -7.681 -11.457 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.431 -8.759 -12.192 1.00 0.00 N ATOM 145 NH2 ARG A 9 -7.564 -6.503 -12.012 1.00 0.00 N ATOM 0 H ARG A 9 -4.298 -7.565 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.964 -6.600 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.680 -9.151 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.799 -9.292 -6.212 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.167 -9.684 -8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.509 -8.016 -7.713 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.509 -7.444 -9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.770 -9.066 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.310 -7.540 -9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.377 -9.676 -11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.440 -8.684 -13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.614 -5.667 -11.430 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.574 -6.418 -13.028 1.00 0.00 H new ATOM 159 N ASP A 10 -6.806 -5.378 -6.385 1.00 0.00 N ATOM 160 CA ASP A 10 -8.009 -4.651 -5.840 1.00 0.00 C ATOM 161 C ASP A 10 -9.177 -4.814 -6.802 1.00 0.00 C ATOM 162 O ASP A 10 -9.393 -5.890 -7.328 1.00 0.00 O ATOM 163 CB ASP A 10 -7.686 -3.167 -5.714 1.00 0.00 C ATOM 164 CG ASP A 10 -8.512 -2.540 -4.585 1.00 0.00 C ATOM 165 OD1 ASP A 10 -9.661 -2.924 -4.446 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.000 -1.661 -3.910 1.00 0.00 O ATOM 0 H ASP A 10 -6.291 -4.852 -7.091 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.269 -5.063 -4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.623 -3.034 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.899 -2.660 -6.655 1.00 0.00 H new ATOM 171 N GLU A 11 -9.999 -3.781 -6.942 1.00 0.00 N ATOM 172 CA GLU A 11 -11.225 -3.886 -7.764 1.00 0.00 C ATOM 173 C GLU A 11 -12.120 -4.748 -6.910 1.00 0.00 C ATOM 174 O GLU A 11 -12.548 -5.823 -7.279 1.00 0.00 O ATOM 175 CB GLU A 11 -10.857 -4.532 -9.120 1.00 0.00 C ATOM 176 CG GLU A 11 -10.298 -3.457 -10.064 1.00 0.00 C ATOM 177 CD GLU A 11 -9.153 -4.034 -10.903 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.230 -4.593 -10.326 1.00 0.00 O ATOM 179 OE2 GLU A 11 -9.207 -3.906 -12.114 1.00 0.00 O ATOM 0 H GLU A 11 -9.853 -2.869 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.710 -2.943 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.119 -5.320 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.737 -4.999 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.089 -3.090 -10.718 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.941 -2.605 -9.486 1.00 0.00 H new ATOM 186 N ASP A 12 -12.326 -4.224 -5.710 1.00 0.00 N ATOM 187 CA ASP A 12 -13.115 -4.846 -4.629 1.00 0.00 C ATOM 188 C ASP A 12 -12.368 -6.011 -3.977 1.00 0.00 C ATOM 189 O ASP A 12 -12.848 -6.585 -3.018 1.00 0.00 O ATOM 190 CB ASP A 12 -14.370 -5.377 -5.269 1.00 0.00 C ATOM 191 CG ASP A 12 -15.420 -4.272 -5.458 1.00 0.00 C ATOM 192 OD1 ASP A 12 -15.186 -3.157 -5.015 1.00 0.00 O ATOM 193 OD2 ASP A 12 -16.448 -4.566 -6.043 1.00 0.00 O ATOM 0 H ASP A 12 -11.938 -3.320 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 12 -13.316 -4.109 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.127 -5.818 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.786 -6.173 -4.651 1.00 0.00 H new ATOM 198 N GLY A 13 -11.218 -6.396 -4.474 1.00 0.00 N ATOM 199 CA GLY A 13 -10.519 -7.532 -3.827 1.00 0.00 C ATOM 200 C GLY A 13 -9.572 -7.008 -2.748 1.00 0.00 C ATOM 201 O GLY A 13 -9.896 -6.992 -1.580 1.00 0.00 O ATOM 0 H GLY A 13 -10.748 -5.981 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.245 -8.215 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.960 -8.099 -4.571 1.00 0.00 H new ATOM 205 N ASN A 14 -8.396 -6.606 -3.136 1.00 0.00 N ATOM 206 CA ASN A 14 -7.402 -6.078 -2.130 1.00 0.00 C ATOM 207 C ASN A 14 -6.805 -4.700 -2.540 1.00 0.00 C ATOM 208 O ASN A 14 -7.128 -3.677 -1.986 1.00 0.00 O ATOM 209 CB ASN A 14 -6.321 -7.165 -2.049 1.00 0.00 C ATOM 210 CG ASN A 14 -6.565 -8.084 -0.833 1.00 0.00 C ATOM 211 OD1 ASN A 14 -5.624 -8.565 -0.220 1.00 0.00 O ATOM 212 ND2 ASN A 14 -7.783 -8.354 -0.443 1.00 0.00 N ATOM 0 H ASN A 14 -8.069 -6.615 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.874 -5.888 -1.166 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.323 -7.756 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.337 -6.702 -1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.938 -8.959 0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.578 -7.960 -0.945 1.00 0.00 H new ATOM 219 N GLU A 15 -5.913 -4.721 -3.513 1.00 0.00 N ATOM 220 CA GLU A 15 -5.205 -3.487 -4.053 1.00 0.00 C ATOM 221 C GLU A 15 -4.586 -3.934 -5.383 1.00 0.00 C ATOM 222 O GLU A 15 -3.947 -4.956 -5.400 1.00 0.00 O ATOM 223 CB GLU A 15 -4.116 -3.145 -3.018 1.00 0.00 C ATOM 224 CG GLU A 15 -3.217 -1.991 -3.499 1.00 0.00 C ATOM 225 CD GLU A 15 -2.046 -1.791 -2.518 1.00 0.00 C ATOM 226 OE1 GLU A 15 -1.081 -2.533 -2.613 1.00 0.00 O ATOM 227 OE2 GLU A 15 -2.135 -0.905 -1.682 1.00 0.00 O ATOM 0 H GLU A 15 -5.630 -5.582 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.842 -2.617 -4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.585 -2.872 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.505 -4.027 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.834 -2.209 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.799 -1.073 -3.575 1.00 0.00 H new ATOM 234 N HIS A 16 -4.787 -3.265 -6.508 1.00 0.00 N ATOM 235 CA HIS A 16 -4.186 -3.866 -7.759 1.00 0.00 C ATOM 236 C HIS A 16 -2.871 -3.258 -8.206 1.00 0.00 C ATOM 237 O HIS A 16 -2.730 -2.079 -8.452 1.00 0.00 O ATOM 238 CB HIS A 16 -5.196 -3.895 -8.926 1.00 0.00 C ATOM 239 CG HIS A 16 -6.140 -2.706 -9.049 1.00 0.00 C ATOM 240 ND1 HIS A 16 -6.556 -2.275 -10.321 1.00 0.00 N ATOM 241 CD2 HIS A 16 -6.838 -1.906 -8.150 1.00 0.00 C ATOM 242 CE1 HIS A 16 -7.456 -1.289 -10.152 1.00 0.00 C ATOM 243 NE2 HIS A 16 -7.646 -1.052 -8.868 1.00 0.00 N ATOM 0 H HIS A 16 -5.303 -2.391 -6.615 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.944 -4.888 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.636 -3.982 -9.857 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.799 -4.798 -8.831 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.232 -2.645 -11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.760 -1.947 -7.074 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.953 -0.765 -10.955 1.00 0.00 H new ATOM 252 N GLY A 17 -1.906 -4.118 -8.336 1.00 0.00 N ATOM 253 CA GLY A 17 -0.562 -3.698 -8.791 1.00 0.00 C ATOM 254 C GLY A 17 0.364 -4.914 -8.900 1.00 0.00 C ATOM 255 O GLY A 17 0.443 -5.728 -8.001 1.00 0.00 O ATOM 0 H GLY A 17 -1.997 -5.115 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.636 -3.201 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.143 -2.974 -8.092 1.00 0.00 H new ATOM 259 N VAL A 18 1.103 -5.022 -9.965 1.00 0.00 N ATOM 260 CA VAL A 18 2.071 -6.155 -10.099 1.00 0.00 C ATOM 261 C VAL A 18 3.411 -5.583 -10.563 1.00 0.00 C ATOM 262 O VAL A 18 3.674 -5.429 -11.741 1.00 0.00 O ATOM 263 CB VAL A 18 1.538 -7.114 -11.154 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.468 -8.528 -10.571 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.145 -6.701 -11.651 1.00 0.00 C ATOM 0 H VAL A 18 1.082 -4.375 -10.754 1.00 0.00 H new ATOM 0 HA VAL A 18 2.197 -6.679 -9.151 1.00 0.00 H new ATOM 0 HB VAL A 18 2.220 -7.086 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.086 -9.215 -11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.465 -8.844 -10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.803 -8.533 -9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.199 -7.412 -12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.553 -6.693 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.196 -5.705 -12.090 1.00 0.00 H new ATOM 275 N PHE A 19 4.233 -5.249 -9.627 1.00 0.00 N ATOM 276 CA PHE A 19 5.578 -4.645 -9.924 1.00 0.00 C ATOM 277 C PHE A 19 6.373 -4.478 -8.616 1.00 0.00 C ATOM 278 O PHE A 19 5.975 -4.965 -7.573 1.00 0.00 O ATOM 279 CB PHE A 19 5.344 -3.266 -10.601 1.00 0.00 C ATOM 280 CG PHE A 19 3.950 -2.716 -10.342 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.354 -2.858 -9.085 1.00 0.00 C ATOM 282 CD2 PHE A 19 3.260 -2.057 -11.368 1.00 0.00 C ATOM 283 CE1 PHE A 19 2.077 -2.351 -8.853 1.00 0.00 C ATOM 284 CE2 PHE A 19 1.978 -1.542 -11.132 1.00 0.00 C ATOM 285 CZ PHE A 19 1.388 -1.691 -9.871 1.00 0.00 C ATOM 0 H PHE A 19 4.038 -5.367 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 19 6.152 -5.291 -10.588 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.085 -2.555 -10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.499 -3.362 -11.676 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.885 -3.362 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.716 -1.946 -12.341 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.619 -2.469 -7.882 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.446 -1.031 -11.921 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.400 -1.295 -9.686 1.00 0.00 H new ATOM 295 N THR A 20 7.495 -3.794 -8.660 1.00 0.00 N ATOM 296 CA THR A 20 8.308 -3.603 -7.415 1.00 0.00 C ATOM 297 C THR A 20 8.182 -2.158 -6.880 1.00 0.00 C ATOM 298 O THR A 20 7.975 -1.221 -7.630 1.00 0.00 O ATOM 299 CB THR A 20 9.763 -3.899 -7.825 1.00 0.00 C ATOM 300 OG1 THR A 20 10.275 -2.821 -8.591 1.00 0.00 O ATOM 301 CG2 THR A 20 9.835 -5.181 -8.659 1.00 0.00 C ATOM 0 H THR A 20 7.880 -3.362 -9.500 1.00 0.00 H new ATOM 0 HA THR A 20 7.966 -4.259 -6.615 1.00 0.00 H new ATOM 0 HB THR A 20 10.356 -4.026 -6.920 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.069 -2.454 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.870 -5.375 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.455 -6.018 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.231 -5.064 -9.559 1.00 0.00 H new ATOM 309 N GLY A 21 8.324 -1.977 -5.583 1.00 0.00 N ATOM 310 CA GLY A 21 8.237 -0.602 -4.980 1.00 0.00 C ATOM 311 C GLY A 21 9.456 -0.378 -4.082 1.00 0.00 C ATOM 312 O GLY A 21 9.899 -1.279 -3.395 1.00 0.00 O ATOM 0 H GLY A 21 8.497 -2.727 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.203 0.153 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.319 -0.501 -4.402 1.00 0.00 H new ATOM 316 N LYS A 22 10.000 0.812 -4.071 1.00 0.00 N ATOM 317 CA LYS A 22 11.186 1.078 -3.193 1.00 0.00 C ATOM 318 C LYS A 22 10.717 1.104 -1.734 1.00 0.00 C ATOM 319 O LYS A 22 11.107 0.279 -0.925 1.00 0.00 O ATOM 320 CB LYS A 22 11.717 2.455 -3.619 1.00 0.00 C ATOM 321 CG LYS A 22 12.183 2.408 -5.079 1.00 0.00 C ATOM 322 CD LYS A 22 11.503 3.526 -5.873 1.00 0.00 C ATOM 323 CE LYS A 22 12.129 3.615 -7.270 1.00 0.00 C ATOM 324 NZ LYS A 22 11.043 4.132 -8.156 1.00 0.00 N ATOM 0 H LYS A 22 9.680 1.606 -4.625 1.00 0.00 H new ATOM 0 HA LYS A 22 11.962 0.318 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.937 3.207 -3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.544 2.751 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.266 2.520 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.942 1.439 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.434 3.331 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.615 4.477 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.991 4.283 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.480 2.640 -7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.400 4.218 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.239 3.473 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.733 5.065 -7.817 1.00 0.00 H new ATOM 338 N GLN A 23 9.848 2.027 -1.418 1.00 0.00 N ATOM 339 CA GLN A 23 9.293 2.117 -0.038 1.00 0.00 C ATOM 340 C GLN A 23 7.907 1.464 -0.041 1.00 0.00 C ATOM 341 O GLN A 23 7.014 1.947 -0.702 1.00 0.00 O ATOM 342 CB GLN A 23 9.179 3.619 0.259 1.00 0.00 C ATOM 343 CG GLN A 23 10.517 4.156 0.777 1.00 0.00 C ATOM 344 CD GLN A 23 11.312 4.766 -0.380 1.00 0.00 C ATOM 345 OE1 GLN A 23 12.156 4.115 -0.955 1.00 0.00 O ATOM 346 NE2 GLN A 23 11.076 5.992 -0.755 1.00 0.00 N ATOM 0 H GLN A 23 9.495 2.731 -2.067 1.00 0.00 H new ATOM 0 HA GLN A 23 9.910 1.617 0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.888 4.155 -0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.397 3.793 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.344 4.907 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.089 3.351 1.239 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.366 6.545 -0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.601 6.399 -1.529 1.00 0.00 H new ATOM 355 N PRO A 24 7.762 0.382 0.683 1.00 0.00 N ATOM 356 CA PRO A 24 6.454 -0.322 0.716 1.00 0.00 C ATOM 357 C PRO A 24 5.354 0.583 1.285 1.00 0.00 C ATOM 358 O PRO A 24 4.209 0.490 0.884 1.00 0.00 O ATOM 359 CB PRO A 24 6.722 -1.539 1.604 1.00 0.00 C ATOM 360 CG PRO A 24 7.904 -1.146 2.431 1.00 0.00 C ATOM 361 CD PRO A 24 8.756 -0.278 1.539 1.00 0.00 C ATOM 0 HA PRO A 24 6.094 -0.608 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.860 -1.772 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.932 -2.427 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.594 -0.604 3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.456 -2.024 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.338 0.443 2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.464 -0.868 0.957 1.00 0.00 H new ATOM 369 N ARG A 25 5.688 1.454 2.203 1.00 0.00 N ATOM 370 CA ARG A 25 4.648 2.359 2.781 1.00 0.00 C ATOM 371 C ARG A 25 4.434 3.580 1.870 1.00 0.00 C ATOM 372 O ARG A 25 3.376 3.758 1.307 1.00 0.00 O ATOM 373 CB ARG A 25 5.194 2.786 4.153 1.00 0.00 C ATOM 374 CG ARG A 25 5.511 1.544 4.993 1.00 0.00 C ATOM 375 CD ARG A 25 5.282 1.847 6.480 1.00 0.00 C ATOM 376 NE ARG A 25 5.747 0.621 7.200 1.00 0.00 N ATOM 377 CZ ARG A 25 5.561 0.502 8.489 1.00 0.00 C ATOM 378 NH1 ARG A 25 6.279 1.214 9.318 1.00 0.00 N ATOM 379 NH2 ARG A 25 4.665 -0.332 8.944 1.00 0.00 N ATOM 0 H ARG A 25 6.629 1.578 2.576 1.00 0.00 H new ATOM 0 HA ARG A 25 3.681 1.865 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.093 3.390 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.463 3.408 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.879 0.712 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.544 1.238 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.844 2.727 6.795 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.231 2.050 6.684 1.00 0.00 H new ATOM 0 HE ARG A 25 6.211 -0.126 6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.982 1.860 8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.136 1.123 10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.111 -0.890 8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.519 -0.426 9.949 1.00 0.00 H new ATOM 393 N GLN A 26 5.431 4.417 1.713 1.00 0.00 N ATOM 394 CA GLN A 26 5.277 5.631 0.841 1.00 0.00 C ATOM 395 C GLN A 26 4.878 5.250 -0.587 1.00 0.00 C ATOM 396 O GLN A 26 4.065 5.919 -1.199 1.00 0.00 O ATOM 397 CB GLN A 26 6.647 6.324 0.866 1.00 0.00 C ATOM 398 CG GLN A 26 6.718 7.400 -0.226 1.00 0.00 C ATOM 399 CD GLN A 26 8.009 7.219 -1.028 1.00 0.00 C ATOM 400 OE1 GLN A 26 8.983 7.912 -0.806 1.00 0.00 O ATOM 401 NE2 GLN A 26 8.064 6.307 -1.959 1.00 0.00 N ATOM 0 H GLN A 26 6.347 4.314 2.150 1.00 0.00 H new ATOM 0 HA GLN A 26 4.484 6.285 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.816 6.776 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.437 5.589 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.853 7.324 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.691 8.393 0.223 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.250 5.723 -2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.921 6.178 -2.497 1.00 0.00 H new ATOM 410 N ALA A 27 5.418 4.198 -1.140 1.00 0.00 N ATOM 411 CA ALA A 27 5.012 3.837 -2.517 1.00 0.00 C ATOM 412 C ALA A 27 3.602 3.216 -2.496 1.00 0.00 C ATOM 413 O ALA A 27 2.946 3.137 -3.515 1.00 0.00 O ATOM 414 CB ALA A 27 6.074 2.852 -2.989 1.00 0.00 C ATOM 0 H ALA A 27 6.109 3.587 -0.704 1.00 0.00 H new ATOM 0 HA ALA A 27 4.952 4.692 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.848 2.533 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.052 3.334 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.084 1.984 -2.330 1.00 0.00 H new ATOM 420 N ALA A 28 3.126 2.795 -1.333 1.00 0.00 N ATOM 421 CA ALA A 28 1.753 2.198 -1.236 1.00 0.00 C ATOM 422 C ALA A 28 0.709 3.183 -1.757 1.00 0.00 C ATOM 423 O ALA A 28 0.004 2.896 -2.709 1.00 0.00 O ATOM 424 CB ALA A 28 1.515 1.926 0.253 1.00 0.00 C ATOM 0 H ALA A 28 3.636 2.843 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 28 1.673 1.288 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.526 1.488 0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.272 1.234 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.577 2.862 0.808 1.00 0.00 H new ATOM 430 N LEU A 29 0.604 4.349 -1.156 1.00 0.00 N ATOM 431 CA LEU A 29 -0.402 5.328 -1.669 1.00 0.00 C ATOM 432 C LEU A 29 -0.028 5.685 -3.111 1.00 0.00 C ATOM 433 O LEU A 29 -0.866 5.687 -3.992 1.00 0.00 O ATOM 434 CB LEU A 29 -0.374 6.545 -0.712 1.00 0.00 C ATOM 435 CG LEU A 29 0.448 7.713 -1.281 1.00 0.00 C ATOM 436 CD1 LEU A 29 -0.208 9.036 -0.886 1.00 0.00 C ATOM 437 CD2 LEU A 29 1.866 7.665 -0.706 1.00 0.00 C ATOM 0 H LEU A 29 1.156 4.656 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.418 4.933 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.394 6.879 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.045 6.241 0.247 1.00 0.00 H new ATOM 0 HG LEU A 29 0.489 7.632 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.374 9.865 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.221 9.074 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.246 9.113 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.450 8.493 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.821 7.747 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.338 6.721 -0.979 1.00 0.00 H new ATOM 449 N LYS A 30 1.231 5.966 -3.367 1.00 0.00 N ATOM 450 CA LYS A 30 1.643 6.300 -4.773 1.00 0.00 C ATOM 451 C LYS A 30 1.105 5.247 -5.765 1.00 0.00 C ATOM 452 O LYS A 30 0.529 5.577 -6.798 1.00 0.00 O ATOM 453 CB LYS A 30 3.177 6.286 -4.760 1.00 0.00 C ATOM 454 CG LYS A 30 3.711 7.670 -4.375 1.00 0.00 C ATOM 455 CD LYS A 30 3.288 8.701 -5.429 1.00 0.00 C ATOM 456 CE LYS A 30 2.127 9.541 -4.885 1.00 0.00 C ATOM 457 NZ LYS A 30 2.134 10.796 -5.692 1.00 0.00 N ATOM 0 H LYS A 30 1.981 5.979 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 30 1.245 7.264 -5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.536 5.539 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.555 6.002 -5.742 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.328 7.959 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.798 7.642 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.130 9.345 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.987 8.196 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.179 9.013 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.260 9.755 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.834 11.594 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.094 10.973 -6.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.478 10.697 -6.493 1.00 0.00 H new ATOM 471 N ALA A 31 1.288 3.987 -5.461 1.00 0.00 N ATOM 472 CA ALA A 31 0.800 2.913 -6.376 1.00 0.00 C ATOM 473 C ALA A 31 -0.720 2.971 -6.521 1.00 0.00 C ATOM 474 O ALA A 31 -1.246 2.955 -7.622 1.00 0.00 O ATOM 475 CB ALA A 31 1.232 1.599 -5.722 1.00 0.00 C ATOM 0 H ALA A 31 1.755 3.656 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 31 1.210 3.021 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.907 0.761 -6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.318 1.580 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.779 1.518 -4.734 1.00 0.00 H new ATOM 481 N ALA A 32 -1.434 3.037 -5.428 1.00 0.00 N ATOM 482 CA ALA A 32 -2.924 3.099 -5.523 1.00 0.00 C ATOM 483 C ALA A 32 -3.335 4.311 -6.319 1.00 0.00 C ATOM 484 O ALA A 32 -4.301 4.263 -7.055 1.00 0.00 O ATOM 485 CB ALA A 32 -3.429 3.240 -4.105 1.00 0.00 C ATOM 0 H ALA A 32 -1.055 3.051 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.328 2.213 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.518 3.291 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.108 2.380 -3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.025 4.151 -3.664 1.00 0.00 H new ATOM 491 N ASN A 33 -2.593 5.389 -6.176 1.00 0.00 N ATOM 492 CA ASN A 33 -2.910 6.645 -6.918 1.00 0.00 C ATOM 493 C ASN A 33 -3.369 6.294 -8.322 1.00 0.00 C ATOM 494 O ASN A 33 -4.384 6.776 -8.797 1.00 0.00 O ATOM 495 CB ASN A 33 -1.598 7.432 -6.959 1.00 0.00 C ATOM 496 CG ASN A 33 -1.872 8.921 -6.743 1.00 0.00 C ATOM 497 OD1 ASN A 33 -2.533 9.553 -7.541 1.00 0.00 O ATOM 498 ND2 ASN A 33 -1.389 9.513 -5.686 1.00 0.00 N ATOM 0 H ASN A 33 -1.775 5.447 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 33 -3.705 7.223 -6.447 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.920 7.064 -6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.104 7.281 -7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.567 10.505 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.833 8.984 -5.014 1.00 0.00 H new ATOM 505 N ARG A 34 -2.634 5.450 -8.993 1.00 0.00 N ATOM 506 CA ARG A 34 -3.060 5.070 -10.363 1.00 0.00 C ATOM 507 C ARG A 34 -3.936 3.797 -10.371 1.00 0.00 C ATOM 508 O ARG A 34 -5.128 3.864 -10.608 1.00 0.00 O ATOM 509 CB ARG A 34 -1.758 4.843 -11.138 1.00 0.00 C ATOM 510 CG ARG A 34 -1.279 6.171 -11.730 1.00 0.00 C ATOM 511 CD ARG A 34 -2.066 6.475 -13.009 1.00 0.00 C ATOM 512 NE ARG A 34 -1.948 7.950 -13.201 1.00 0.00 N ATOM 513 CZ ARG A 34 -2.994 8.649 -13.547 1.00 0.00 C ATOM 514 NH1 ARG A 34 -3.445 8.578 -14.770 1.00 0.00 N ATOM 515 NH2 ARG A 34 -3.586 9.416 -12.669 1.00 0.00 N ATOM 0 H ARG A 34 -1.774 5.016 -8.658 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.679 5.848 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.996 4.431 -10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.918 4.115 -11.933 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.417 6.974 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.213 6.119 -11.950 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.656 5.933 -13.861 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.109 6.173 -12.911 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.049 8.412 -13.062 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.980 7.978 -15.451 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.262 9.123 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.230 9.468 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.404 9.963 -12.939 1.00 0.00 H new ATOM 529 N GLY A 35 -3.343 2.638 -10.189 1.00 0.00 N ATOM 530 CA GLY A 35 -4.131 1.364 -10.270 1.00 0.00 C ATOM 531 C GLY A 35 -4.206 0.521 -8.988 1.00 0.00 C ATOM 532 O GLY A 35 -4.832 -0.504 -9.021 1.00 0.00 O ATOM 0 H GLY A 35 -2.350 2.520 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.148 1.611 -10.576 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.702 0.747 -11.059 1.00 0.00 H new ATOM 536 N SER A 36 -3.573 0.852 -7.897 1.00 0.00 N ATOM 537 CA SER A 36 -3.651 -0.083 -6.717 1.00 0.00 C ATOM 538 C SER A 36 -4.928 0.133 -5.932 1.00 0.00 C ATOM 539 O SER A 36 -5.217 -0.569 -4.988 1.00 0.00 O ATOM 540 CB SER A 36 -2.400 0.183 -5.873 1.00 0.00 C ATOM 541 OG SER A 36 -1.418 -0.811 -6.152 1.00 0.00 O ATOM 0 H SER A 36 -3.020 1.698 -7.762 1.00 0.00 H new ATOM 0 HA SER A 36 -3.679 -1.125 -7.036 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.003 1.174 -6.094 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.654 0.171 -4.813 1.00 0.00 H new ATOM 0 HG SER A 36 -1.674 -1.306 -6.958 1.00 0.00 H new ATOM 547 N GLY A 37 -5.691 1.097 -6.314 1.00 0.00 N ATOM 548 CA GLY A 37 -6.931 1.379 -5.594 1.00 0.00 C ATOM 549 C GLY A 37 -7.983 1.867 -6.571 1.00 0.00 C ATOM 550 O GLY A 37 -7.878 2.966 -7.088 1.00 0.00 O ATOM 0 H GLY A 37 -5.502 1.709 -7.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.281 0.481 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.755 2.132 -4.826 1.00 0.00 H new ATOM 554 N THR A 38 -9.003 1.084 -6.853 1.00 0.00 N ATOM 555 CA THR A 38 -10.012 1.579 -7.812 1.00 0.00 C ATOM 556 C THR A 38 -10.913 2.595 -7.133 1.00 0.00 C ATOM 557 O THR A 38 -11.530 3.419 -7.778 1.00 0.00 O ATOM 558 CB THR A 38 -10.790 0.352 -8.297 1.00 0.00 C ATOM 559 OG1 THR A 38 -10.055 -0.828 -8.007 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.021 0.451 -9.807 1.00 0.00 C ATOM 0 H THR A 38 -9.167 0.154 -6.467 1.00 0.00 H new ATOM 0 HA THR A 38 -9.556 2.088 -8.661 1.00 0.00 H new ATOM 0 HB THR A 38 -11.752 0.314 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.219 -0.826 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.575 -0.424 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.593 1.352 -10.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.060 0.495 -10.320 1.00 0.00 H new ATOM 568 N LYS A 39 -10.992 2.522 -5.837 1.00 0.00 N ATOM 569 CA LYS A 39 -11.859 3.465 -5.037 1.00 0.00 C ATOM 570 C LYS A 39 -13.333 3.178 -5.345 1.00 0.00 C ATOM 571 O LYS A 39 -14.111 2.853 -4.474 1.00 0.00 O ATOM 572 CB LYS A 39 -11.500 4.901 -5.436 1.00 0.00 C ATOM 573 CG LYS A 39 -12.135 5.878 -4.425 1.00 0.00 C ATOM 574 CD LYS A 39 -13.353 6.577 -5.049 1.00 0.00 C ATOM 575 CE LYS A 39 -13.266 8.102 -4.838 1.00 0.00 C ATOM 576 NZ LYS A 39 -13.024 8.310 -3.375 1.00 0.00 N ATOM 0 H LYS A 39 -10.486 1.838 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.694 3.330 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.417 5.027 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.861 5.113 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.438 5.338 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.400 6.621 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.402 6.353 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.269 6.193 -4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.458 8.531 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.187 8.591 -5.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.351 9.258 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.546 7.593 -2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.007 8.223 -3.176 1.00 0.00 H new ATOM 590 N ALA A 40 -13.714 3.226 -6.593 1.00 0.00 N ATOM 591 CA ALA A 40 -15.110 2.840 -6.929 1.00 0.00 C ATOM 592 C ALA A 40 -15.186 1.343 -6.594 1.00 0.00 C ATOM 593 O ALA A 40 -16.203 0.819 -6.192 1.00 0.00 O ATOM 594 CB ALA A 40 -15.275 3.090 -8.431 1.00 0.00 C ATOM 0 H ALA A 40 -13.130 3.510 -7.380 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.887 3.388 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.287 2.822 -8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.098 4.144 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.558 2.482 -8.982 1.00 0.00 H new ATOM 600 N ASN A 41 -14.046 0.688 -6.712 1.00 0.00 N ATOM 601 CA ASN A 41 -13.908 -0.750 -6.369 1.00 0.00 C ATOM 602 C ASN A 41 -12.544 -0.930 -5.675 1.00 0.00 C ATOM 603 O ASN A 41 -11.617 -1.449 -6.271 1.00 0.00 O ATOM 604 CB ASN A 41 -13.867 -1.430 -7.735 1.00 0.00 C ATOM 605 CG ASN A 41 -15.107 -2.307 -7.934 1.00 0.00 C ATOM 606 OD1 ASN A 41 -16.219 -1.820 -7.884 1.00 0.00 O ATOM 607 ND2 ASN A 41 -14.969 -3.578 -8.184 1.00 0.00 N ATOM 0 H ASN A 41 -13.183 1.118 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.693 -1.139 -5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.817 -0.677 -8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.967 -2.039 -7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.793 -4.160 -8.337 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.037 -3.991 -8.227 1.00 0.00 H new ATOM 614 N PRO A 42 -12.434 -0.456 -4.463 1.00 0.00 N ATOM 615 CA PRO A 42 -11.156 -0.529 -3.727 1.00 0.00 C ATOM 616 C PRO A 42 -11.231 -1.518 -2.548 1.00 0.00 C ATOM 617 O PRO A 42 -12.307 -1.921 -2.148 1.00 0.00 O ATOM 618 CB PRO A 42 -11.118 0.856 -3.134 1.00 0.00 C ATOM 619 CG PRO A 42 -12.564 1.246 -2.931 1.00 0.00 C ATOM 620 CD PRO A 42 -13.426 0.236 -3.666 1.00 0.00 C ATOM 0 HA PRO A 42 -10.317 -0.837 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.573 0.864 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.612 1.555 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.811 1.258 -1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.745 2.251 -3.311 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.946 -0.436 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.187 0.716 -4.282 1.00 0.00 H new ATOM 628 N ASP A 43 -10.114 -1.882 -1.951 1.00 0.00 N ATOM 629 CA ASP A 43 -10.214 -2.810 -0.763 1.00 0.00 C ATOM 630 C ASP A 43 -8.914 -2.865 0.059 1.00 0.00 C ATOM 631 O ASP A 43 -8.004 -2.075 -0.136 1.00 0.00 O ATOM 632 CB ASP A 43 -10.567 -4.184 -1.325 1.00 0.00 C ATOM 633 CG ASP A 43 -11.500 -4.900 -0.334 1.00 0.00 C ATOM 634 OD1 ASP A 43 -11.082 -5.116 0.795 1.00 0.00 O ATOM 635 OD2 ASP A 43 -12.616 -5.202 -0.706 1.00 0.00 O ATOM 0 H ASP A 43 -9.173 -1.593 -2.218 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.974 -2.450 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.054 -4.081 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.662 -4.771 -1.483 1.00 0.00 H new ATOM 640 N ILE A 44 -8.837 -3.780 0.995 1.00 0.00 N ATOM 641 CA ILE A 44 -7.610 -3.912 1.846 1.00 0.00 C ATOM 642 C ILE A 44 -6.707 -4.966 1.198 1.00 0.00 C ATOM 643 O ILE A 44 -7.177 -5.996 0.766 1.00 0.00 O ATOM 644 CB ILE A 44 -8.092 -4.334 3.262 1.00 0.00 C ATOM 645 CG1 ILE A 44 -8.128 -5.869 3.412 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.490 -3.762 3.544 1.00 0.00 C ATOM 647 CD1 ILE A 44 -9.356 -6.454 2.704 1.00 0.00 C ATOM 0 H ILE A 44 -9.578 -4.448 1.208 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.038 -2.988 1.930 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.380 -3.932 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.220 -6.302 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.150 -6.136 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.814 -4.066 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.455 -2.674 3.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.194 -4.140 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.362 -7.538 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.262 -6.036 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.318 -6.205 1.644 1.00 0.00 H new ATOM 659 N ILE A 45 -5.431 -4.714 1.078 1.00 0.00 N ATOM 660 CA ILE A 45 -4.552 -5.713 0.392 1.00 0.00 C ATOM 661 C ILE A 45 -3.435 -6.251 1.271 1.00 0.00 C ATOM 662 O ILE A 45 -2.628 -5.511 1.811 1.00 0.00 O ATOM 663 CB ILE A 45 -3.923 -4.961 -0.792 1.00 0.00 C ATOM 664 CG1 ILE A 45 -2.739 -5.758 -1.374 1.00 0.00 C ATOM 665 CG2 ILE A 45 -3.391 -3.606 -0.323 1.00 0.00 C ATOM 666 CD1 ILE A 45 -3.231 -7.045 -2.035 1.00 0.00 C ATOM 0 H ILE A 45 -4.962 -3.874 1.418 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.152 -6.577 0.105 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.692 -4.830 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.207 -5.148 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.030 -5.998 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.946 -3.078 -1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.211 -3.014 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.636 -3.759 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.381 -7.594 -2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.742 -7.661 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.921 -6.799 -2.842 1.00 0.00 H new ATOM 678 N ARG A 46 -3.307 -7.544 1.316 1.00 0.00 N ATOM 679 CA ARG A 46 -2.161 -8.126 2.040 1.00 0.00 C ATOM 680 C ARG A 46 -1.091 -8.290 0.967 1.00 0.00 C ATOM 681 O ARG A 46 -0.953 -9.335 0.357 1.00 0.00 O ATOM 682 CB ARG A 46 -2.635 -9.481 2.580 1.00 0.00 C ATOM 683 CG ARG A 46 -3.687 -9.263 3.670 1.00 0.00 C ATOM 684 CD ARG A 46 -4.805 -10.300 3.515 1.00 0.00 C ATOM 685 NE ARG A 46 -5.764 -9.699 2.543 1.00 0.00 N ATOM 686 CZ ARG A 46 -7.045 -9.766 2.772 1.00 0.00 C ATOM 687 NH1 ARG A 46 -7.574 -9.006 3.690 1.00 0.00 N ATOM 688 NH2 ARG A 46 -7.789 -10.590 2.084 1.00 0.00 N ATOM 0 H ARG A 46 -3.943 -8.214 0.885 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.781 -7.536 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.054 -10.079 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.790 -10.038 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.229 -9.351 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.098 -8.256 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.414 -11.249 3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.288 -10.504 4.470 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.418 -9.237 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.986 -8.365 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.576 -9.052 3.875 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.367 -11.181 1.368 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.792 -10.643 2.263 1.00 0.00 H new ATOM 702 N LEU A 47 -0.356 -7.241 0.706 1.00 0.00 N ATOM 703 CA LEU A 47 0.681 -7.299 -0.361 1.00 0.00 C ATOM 704 C LEU A 47 1.877 -8.075 0.164 1.00 0.00 C ATOM 705 O LEU A 47 2.738 -7.530 0.825 1.00 0.00 O ATOM 706 CB LEU A 47 1.048 -5.830 -0.631 1.00 0.00 C ATOM 707 CG LEU A 47 1.356 -5.601 -2.115 1.00 0.00 C ATOM 708 CD1 LEU A 47 2.183 -4.324 -2.268 1.00 0.00 C ATOM 709 CD2 LEU A 47 2.157 -6.776 -2.667 1.00 0.00 C ATOM 0 H LEU A 47 -0.431 -6.345 1.188 1.00 0.00 H new ATOM 0 HA LEU A 47 0.343 -7.795 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.226 -5.184 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.914 -5.552 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 47 0.419 -5.509 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.404 -4.158 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.620 -3.477 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.116 -4.426 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.372 -6.606 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.093 -6.869 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.579 -7.694 -2.558 1.00 0.00 H new ATOM 721 N ARG A 48 1.932 -9.351 -0.100 1.00 0.00 N ATOM 722 CA ARG A 48 3.073 -10.153 0.425 1.00 0.00 C ATOM 723 C ARG A 48 3.577 -11.175 -0.604 1.00 0.00 C ATOM 724 O ARG A 48 3.000 -11.345 -1.664 1.00 0.00 O ATOM 725 CB ARG A 48 2.510 -10.884 1.654 1.00 0.00 C ATOM 726 CG ARG A 48 1.355 -11.806 1.230 1.00 0.00 C ATOM 727 CD ARG A 48 1.609 -13.236 1.730 1.00 0.00 C ATOM 728 NE ARG A 48 2.607 -13.822 0.781 1.00 0.00 N ATOM 729 CZ ARG A 48 2.203 -14.465 -0.288 1.00 0.00 C ATOM 730 NH1 ARG A 48 1.993 -13.815 -1.404 1.00 0.00 N ATOM 731 NH2 ARG A 48 2.019 -15.758 -0.234 1.00 0.00 N ATOM 0 H ARG A 48 1.246 -9.868 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 48 3.924 -9.514 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.296 -11.468 2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.158 -10.160 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.414 -11.433 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.258 -11.804 0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.993 -13.232 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.687 -13.818 1.739 1.00 0.00 H new ATOM 0 HE ARG A 48 3.605 -13.721 0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.144 -12.807 -1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.679 -14.316 -2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.190 -16.261 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.705 -16.263 -1.062 1.00 0.00 H new ATOM 745 N GLU A 49 4.621 -11.891 -0.261 1.00 0.00 N ATOM 746 CA GLU A 49 5.178 -12.945 -1.148 1.00 0.00 C ATOM 747 C GLU A 49 5.739 -14.020 -0.224 1.00 0.00 C ATOM 748 O GLU A 49 5.601 -13.916 0.986 1.00 0.00 O ATOM 749 CB GLU A 49 6.293 -12.266 -1.954 1.00 0.00 C ATOM 750 CG GLU A 49 6.261 -12.759 -3.405 1.00 0.00 C ATOM 751 CD GLU A 49 7.306 -13.857 -3.597 1.00 0.00 C ATOM 752 OE1 GLU A 49 6.987 -15.002 -3.323 1.00 0.00 O ATOM 753 OE2 GLU A 49 8.412 -13.532 -4.001 1.00 0.00 O ATOM 0 H GLU A 49 5.119 -11.781 0.622 1.00 0.00 H new ATOM 0 HA GLU A 49 4.455 -13.394 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.167 -11.184 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.263 -12.486 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.269 -13.140 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.460 -11.931 -4.085 1.00 0.00 H new ATOM 760 N ARG A 50 6.362 -15.039 -0.732 1.00 0.00 N ATOM 761 CA ARG A 50 6.900 -16.059 0.200 1.00 0.00 C ATOM 762 C ARG A 50 8.410 -16.239 -0.010 1.00 0.00 C ATOM 763 O ARG A 50 9.011 -15.589 -0.846 1.00 0.00 O ATOM 764 CB ARG A 50 6.137 -17.350 -0.113 1.00 0.00 C ATOM 765 CG ARG A 50 5.073 -17.593 0.962 1.00 0.00 C ATOM 766 CD ARG A 50 5.604 -18.589 2.000 1.00 0.00 C ATOM 767 NE ARG A 50 4.836 -18.297 3.245 1.00 0.00 N ATOM 768 CZ ARG A 50 5.464 -18.060 4.365 1.00 0.00 C ATOM 769 NH1 ARG A 50 6.029 -19.042 5.015 1.00 0.00 N ATOM 770 NH2 ARG A 50 5.528 -16.841 4.828 1.00 0.00 N ATOM 0 H ARG A 50 6.520 -15.209 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 50 6.768 -15.767 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.667 -17.278 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.828 -18.192 -0.152 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.811 -16.653 1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.162 -17.980 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.451 -19.618 1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.675 -18.461 2.158 1.00 0.00 H new ATOM 0 HE ARG A 50 3.816 -18.282 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.979 -19.992 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.520 -18.859 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.088 -16.077 4.315 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.018 -16.653 5.703 1.00 0.00 H new ATOM 784 N GLY A 51 9.031 -17.108 0.754 1.00 0.00 N ATOM 785 CA GLY A 51 10.503 -17.319 0.613 1.00 0.00 C ATOM 786 C GLY A 51 11.227 -16.085 1.152 1.00 0.00 C ATOM 787 O GLY A 51 11.816 -16.113 2.215 1.00 0.00 O ATOM 0 H GLY A 51 8.579 -17.679 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.812 -18.209 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.763 -17.483 -0.433 1.00 0.00 H new ATOM 791 N THR A 52 11.159 -14.997 0.433 1.00 0.00 N ATOM 792 CA THR A 52 11.812 -13.737 0.899 1.00 0.00 C ATOM 793 C THR A 52 10.894 -13.022 1.900 1.00 0.00 C ATOM 794 O THR A 52 9.735 -13.365 2.039 1.00 0.00 O ATOM 795 CB THR A 52 11.994 -12.883 -0.369 1.00 0.00 C ATOM 796 OG1 THR A 52 10.748 -12.761 -1.072 1.00 0.00 O ATOM 797 CG2 THR A 52 13.028 -13.540 -1.283 1.00 0.00 C ATOM 0 H THR A 52 10.676 -14.925 -0.463 1.00 0.00 H new ATOM 0 HA THR A 52 12.762 -13.920 1.400 1.00 0.00 H new ATOM 0 HB THR A 52 12.336 -11.890 -0.078 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.010 -12.999 -0.473 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.157 -12.935 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.980 -13.618 -0.758 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.686 -14.536 -1.563 1.00 0.00 H new ATOM 805 N LYS A 53 11.383 -12.014 2.573 1.00 0.00 N ATOM 806 CA LYS A 53 10.514 -11.280 3.521 1.00 0.00 C ATOM 807 C LYS A 53 9.722 -10.265 2.719 1.00 0.00 C ATOM 808 O LYS A 53 10.142 -9.158 2.503 1.00 0.00 O ATOM 809 CB LYS A 53 11.463 -10.593 4.510 1.00 0.00 C ATOM 810 CG LYS A 53 11.944 -11.607 5.552 1.00 0.00 C ATOM 811 CD LYS A 53 13.465 -11.510 5.698 1.00 0.00 C ATOM 812 CE LYS A 53 13.963 -12.607 6.647 1.00 0.00 C ATOM 813 NZ LYS A 53 15.237 -12.081 7.220 1.00 0.00 N ATOM 0 H LYS A 53 12.342 -11.673 2.504 1.00 0.00 H new ATOM 0 HA LYS A 53 9.812 -11.918 4.059 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.316 -10.172 3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.953 -9.765 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.463 -11.414 6.511 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.661 -12.616 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.941 -11.615 4.723 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.741 -10.529 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.233 -12.811 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.128 -13.543 6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.635 -12.779 7.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.916 -11.903 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.049 -11.193 7.728 1.00 0.00 H new ATOM 827 N LYS A 54 8.594 -10.645 2.242 1.00 0.00 N ATOM 828 CA LYS A 54 7.794 -9.697 1.426 1.00 0.00 C ATOM 829 C LYS A 54 6.367 -9.616 1.979 1.00 0.00 C ATOM 830 O LYS A 54 5.548 -10.483 1.737 1.00 0.00 O ATOM 831 CB LYS A 54 7.829 -10.296 0.021 1.00 0.00 C ATOM 832 CG LYS A 54 8.408 -9.281 -0.968 1.00 0.00 C ATOM 833 CD LYS A 54 9.605 -9.907 -1.699 1.00 0.00 C ATOM 834 CE LYS A 54 9.114 -10.625 -2.964 1.00 0.00 C ATOM 835 NZ LYS A 54 9.964 -11.846 -3.105 1.00 0.00 N ATOM 0 H LYS A 54 8.181 -11.568 2.375 1.00 0.00 H new ATOM 0 HA LYS A 54 8.179 -8.677 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.433 -11.203 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.823 -10.582 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.645 -8.981 -1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.721 -8.380 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.327 -9.135 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.117 -10.612 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.061 -10.892 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.208 -9.981 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.429 -12.585 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.820 -11.612 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.235 -12.191 -2.162 1.00 0.00 H new ATOM 849 N VAL A 55 6.076 -8.581 2.729 1.00 0.00 N ATOM 850 CA VAL A 55 4.714 -8.423 3.328 1.00 0.00 C ATOM 851 C VAL A 55 4.371 -6.936 3.520 1.00 0.00 C ATOM 852 O VAL A 55 5.122 -6.174 4.098 1.00 0.00 O ATOM 853 CB VAL A 55 4.779 -9.127 4.694 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.525 -8.792 5.509 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.849 -10.644 4.497 1.00 0.00 C ATOM 0 H VAL A 55 6.731 -7.832 2.954 1.00 0.00 H new ATOM 0 HA VAL A 55 3.945 -8.848 2.683 1.00 0.00 H new ATOM 0 HB VAL A 55 5.668 -8.784 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.575 -9.293 6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.467 -7.714 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.640 -9.131 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.895 -11.135 5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.963 -10.983 3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.740 -10.895 3.921 1.00 0.00 H new ATOM 865 N HIS A 56 3.231 -6.537 3.045 1.00 0.00 N ATOM 866 CA HIS A 56 2.781 -5.124 3.182 1.00 0.00 C ATOM 867 C HIS A 56 1.266 -5.167 3.337 1.00 0.00 C ATOM 868 O HIS A 56 0.565 -5.519 2.409 1.00 0.00 O ATOM 869 CB HIS A 56 3.240 -4.463 1.860 1.00 0.00 C ATOM 870 CG HIS A 56 2.333 -3.330 1.393 1.00 0.00 C ATOM 871 ND1 HIS A 56 2.832 -2.042 1.128 1.00 0.00 N ATOM 872 CD2 HIS A 56 0.998 -3.287 1.028 1.00 0.00 C ATOM 873 CE1 HIS A 56 1.820 -1.305 0.622 1.00 0.00 C ATOM 874 NE2 HIS A 56 0.714 -2.024 0.550 1.00 0.00 N ATOM 0 H HIS A 56 2.574 -7.144 2.555 1.00 0.00 H new ATOM 0 HA HIS A 56 3.179 -4.570 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.251 -4.077 1.989 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.286 -5.224 1.081 1.00 0.00 H new ATOM 0 HD1 HIS A 56 3.787 -1.722 1.289 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.297 -4.105 1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.903 -0.272 0.318 1.00 0.00 H new ATOM 883 N VAL A 57 0.733 -4.851 4.490 1.00 0.00 N ATOM 884 CA VAL A 57 -0.738 -4.923 4.604 1.00 0.00 C ATOM 885 C VAL A 57 -1.269 -3.509 4.607 1.00 0.00 C ATOM 886 O VAL A 57 -1.244 -2.821 5.595 1.00 0.00 O ATOM 887 CB VAL A 57 -1.050 -5.673 5.907 1.00 0.00 C ATOM 888 CG1 VAL A 57 -2.556 -5.947 5.985 1.00 0.00 C ATOM 889 CG2 VAL A 57 -0.305 -7.014 5.926 1.00 0.00 C ATOM 0 H VAL A 57 1.239 -4.557 5.326 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.210 -5.454 3.777 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.733 -5.064 6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.782 -6.480 6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.099 -5.002 5.969 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.860 -6.555 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.530 -7.542 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.623 -7.619 5.077 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.768 -6.835 5.862 1.00 0.00 H new ATOM 899 N PHE A 58 -1.743 -3.071 3.493 1.00 0.00 N ATOM 900 CA PHE A 58 -2.291 -1.701 3.414 1.00 0.00 C ATOM 901 C PHE A 58 -3.599 -1.799 2.651 1.00 0.00 C ATOM 902 O PHE A 58 -3.991 -2.851 2.204 1.00 0.00 O ATOM 903 CB PHE A 58 -1.276 -0.863 2.609 1.00 0.00 C ATOM 904 CG PHE A 58 -0.648 0.277 3.421 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.380 1.437 3.775 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.707 0.195 3.772 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.757 2.478 4.470 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.324 1.249 4.460 1.00 0.00 C ATOM 909 CZ PHE A 58 0.594 2.384 4.807 1.00 0.00 C ATOM 0 H PHE A 58 -1.777 -3.604 2.624 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.459 -1.249 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.485 -1.517 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.774 -0.445 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.423 1.518 3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.278 -0.684 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.322 3.356 4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.369 1.181 4.722 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.075 3.193 5.338 1.00 0.00 H new ATOM 919 N LYS A 59 -4.254 -0.720 2.472 1.00 0.00 N ATOM 920 CA LYS A 59 -5.523 -0.731 1.686 1.00 0.00 C ATOM 921 C LYS A 59 -5.397 0.441 0.728 1.00 0.00 C ATOM 922 O LYS A 59 -4.928 1.464 1.138 1.00 0.00 O ATOM 923 CB LYS A 59 -6.637 -0.566 2.719 1.00 0.00 C ATOM 924 CG LYS A 59 -6.326 -1.438 3.949 1.00 0.00 C ATOM 925 CD LYS A 59 -7.523 -1.474 4.905 1.00 0.00 C ATOM 926 CE LYS A 59 -7.123 -2.217 6.189 1.00 0.00 C ATOM 927 NZ LYS A 59 -8.383 -2.836 6.704 1.00 0.00 N ATOM 0 H LYS A 59 -3.978 0.193 2.833 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.730 -1.630 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.723 0.480 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.595 -0.856 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.079 -2.450 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.452 -1.045 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.844 -0.460 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.368 -1.973 4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.369 -2.976 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.695 -1.532 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.310 -2.966 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.188 -2.214 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.528 -3.759 6.248 1.00 0.00 H new ATOM 941 N ALA A 60 -5.722 0.313 -0.536 1.00 0.00 N ATOM 942 CA ALA A 60 -5.469 1.479 -1.446 1.00 0.00 C ATOM 943 C ALA A 60 -6.726 1.960 -2.156 1.00 0.00 C ATOM 944 O ALA A 60 -7.274 1.290 -3.005 1.00 0.00 O ATOM 945 CB ALA A 60 -4.451 0.951 -2.449 1.00 0.00 C ATOM 0 H ALA A 60 -6.136 -0.514 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.118 2.347 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.201 1.737 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.549 0.639 -1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.873 0.099 -2.982 1.00 0.00 H new ATOM 951 N TRP A 61 -7.183 3.131 -1.801 1.00 0.00 N ATOM 952 CA TRP A 61 -8.430 3.698 -2.424 1.00 0.00 C ATOM 953 C TRP A 61 -8.145 5.109 -2.940 1.00 0.00 C ATOM 954 O TRP A 61 -7.009 5.481 -3.063 1.00 0.00 O ATOM 955 CB TRP A 61 -9.467 3.707 -1.291 1.00 0.00 C ATOM 956 CG TRP A 61 -9.331 2.447 -0.487 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.095 1.241 -1.018 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.393 2.250 0.948 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.040 0.303 -0.027 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.232 0.874 1.222 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.589 3.119 2.019 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.275 0.384 2.527 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -9.625 2.637 3.337 1.00 0.00 C ATOM 964 CH2 TRP A 61 -9.477 1.268 3.590 1.00 0.00 C ATOM 0 H TRP A 61 -6.746 3.730 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.786 3.120 -3.277 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.318 4.578 -0.653 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.473 3.783 -1.703 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.967 1.040 -2.071 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.878 -0.692 -0.185 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.715 4.175 1.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.153 -0.673 2.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -9.767 3.324 4.158 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.519 0.897 4.603 1.00 0.00 H new ATOM 975 N LYS A 62 -9.149 5.902 -3.252 1.00 0.00 N ATOM 976 CA LYS A 62 -8.861 7.293 -3.748 1.00 0.00 C ATOM 977 C LYS A 62 -9.535 8.349 -2.856 1.00 0.00 C ATOM 978 O LYS A 62 -10.674 8.727 -3.079 1.00 0.00 O ATOM 979 CB LYS A 62 -9.395 7.359 -5.185 1.00 0.00 C ATOM 980 CG LYS A 62 -8.298 6.907 -6.155 1.00 0.00 C ATOM 981 CD LYS A 62 -7.530 8.130 -6.672 1.00 0.00 C ATOM 982 CE LYS A 62 -6.962 7.838 -8.069 1.00 0.00 C ATOM 983 NZ LYS A 62 -8.139 7.828 -8.990 1.00 0.00 N ATOM 0 H LYS A 62 -10.136 5.654 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.792 7.506 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.273 6.721 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.710 8.375 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.615 6.222 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.739 6.363 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.191 8.995 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.721 8.379 -5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.240 8.599 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.442 6.880 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.204 6.903 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.008 8.001 -8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.026 8.573 -9.706 1.00 0.00 H new ATOM 997 N GLU A 63 -8.815 8.831 -1.861 1.00 0.00 N ATOM 998 CA GLU A 63 -9.345 9.888 -0.934 1.00 0.00 C ATOM 999 C GLU A 63 -8.223 10.389 0.048 1.00 0.00 C ATOM 1000 O GLU A 63 -7.140 9.850 0.098 1.00 0.00 O ATOM 1001 CB GLU A 63 -10.509 9.214 -0.230 1.00 0.00 C ATOM 1002 CG GLU A 63 -11.564 10.256 0.156 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.057 10.973 -1.104 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -12.895 10.411 -1.796 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -11.580 12.065 -1.361 1.00 0.00 O ATOM 0 H GLU A 63 -7.864 8.528 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.671 10.792 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.952 8.461 -0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.155 8.696 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.399 9.773 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.140 10.977 0.855 1.00 0.00 H new ATOM 1012 N ILE A 64 -8.451 11.453 0.790 1.00 0.00 N ATOM 1013 CA ILE A 64 -7.356 12.039 1.688 1.00 0.00 C ATOM 1014 C ILE A 64 -6.986 11.213 2.951 1.00 0.00 C ATOM 1015 O ILE A 64 -7.672 11.287 3.954 1.00 0.00 O ATOM 1016 CB ILE A 64 -7.917 13.401 2.154 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -8.517 14.189 0.982 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -6.796 14.236 2.783 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -9.940 14.626 1.335 1.00 0.00 C ATOM 0 H ILE A 64 -9.341 11.950 0.823 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.434 12.075 1.108 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.702 13.204 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.901 15.061 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.527 13.573 0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.197 15.196 3.110 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.383 13.704 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.010 14.403 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.366 15.186 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.553 13.746 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.917 15.258 2.223 1.00 0.00 H new ATOM 1031 N VAL A 65 -5.876 10.476 2.945 1.00 0.00 N ATOM 1032 CA VAL A 65 -5.469 9.724 4.178 1.00 0.00 C ATOM 1033 C VAL A 65 -4.334 10.461 4.922 1.00 0.00 C ATOM 1034 O VAL A 65 -4.016 11.607 4.648 1.00 0.00 O ATOM 1035 CB VAL A 65 -4.987 8.320 3.745 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.098 7.304 4.013 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -4.594 8.290 2.258 1.00 0.00 C ATOM 0 H VAL A 65 -5.251 10.371 2.146 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.318 9.647 4.857 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.100 8.066 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.764 6.312 3.710 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.336 7.297 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.986 7.578 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.260 7.287 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.456 8.561 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.787 9.000 2.081 1.00 0.00 H new ATOM 1047 N ASP A 66 -3.736 9.778 5.869 1.00 0.00 N ATOM 1048 CA ASP A 66 -2.612 10.338 6.686 1.00 0.00 C ATOM 1049 C ASP A 66 -1.325 9.524 6.420 1.00 0.00 C ATOM 1050 O ASP A 66 -1.364 8.320 6.371 1.00 0.00 O ATOM 1051 CB ASP A 66 -3.067 10.165 8.142 1.00 0.00 C ATOM 1052 CG ASP A 66 -2.031 10.775 9.088 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -1.006 10.148 9.298 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -2.283 11.857 9.588 1.00 0.00 O ATOM 0 H ASP A 66 -3.990 8.822 6.117 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.392 11.379 6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.034 10.646 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.199 9.107 8.367 1.00 0.00 H new ATOM 1059 N ALA A 67 -0.210 10.193 6.216 1.00 0.00 N ATOM 1060 CA ALA A 67 1.109 9.524 5.907 1.00 0.00 C ATOM 1061 C ALA A 67 1.716 8.819 7.125 1.00 0.00 C ATOM 1062 O ALA A 67 2.368 9.481 7.877 1.00 0.00 O ATOM 1063 CB ALA A 67 2.045 10.696 5.586 1.00 0.00 C ATOM 0 H ALA A 67 -0.155 11.211 6.252 1.00 0.00 H new ATOM 0 HA ALA A 67 0.976 8.781 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.037 10.314 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.654 11.251 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.110 11.357 6.450 1.00 0.00 H new ATOM 1069 N PRO A 68 1.537 7.517 7.273 1.00 0.00 N ATOM 1070 CA PRO A 68 2.120 6.796 8.450 1.00 0.00 C ATOM 1071 C PRO A 68 3.641 6.641 8.312 1.00 0.00 C ATOM 1072 O PRO A 68 4.131 6.100 7.337 1.00 0.00 O ATOM 1073 CB PRO A 68 1.450 5.429 8.398 1.00 0.00 C ATOM 1074 CG PRO A 68 1.080 5.238 6.963 1.00 0.00 C ATOM 1075 CD PRO A 68 0.812 6.603 6.386 1.00 0.00 C ATOM 0 HA PRO A 68 1.953 7.328 9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.125 4.645 8.740 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.570 5.395 9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.885 4.743 6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.198 4.603 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.169 6.678 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.255 6.826 6.370 1.00 0.00 H new ATOM 1083 N LYS A 69 4.395 7.116 9.283 1.00 0.00 N ATOM 1084 CA LYS A 69 5.891 7.013 9.207 1.00 0.00 C ATOM 1085 C LYS A 69 6.367 7.610 7.876 1.00 0.00 C ATOM 1086 O LYS A 69 7.275 7.106 7.248 1.00 0.00 O ATOM 1087 CB LYS A 69 6.214 5.516 9.302 1.00 0.00 C ATOM 1088 CG LYS A 69 6.910 5.224 10.636 1.00 0.00 C ATOM 1089 CD LYS A 69 5.958 5.529 11.799 1.00 0.00 C ATOM 1090 CE LYS A 69 6.770 5.914 13.044 1.00 0.00 C ATOM 1091 NZ LYS A 69 6.310 7.287 13.411 1.00 0.00 N ATOM 0 H LYS A 69 4.037 7.570 10.123 1.00 0.00 H new ATOM 0 HA LYS A 69 6.394 7.560 10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.298 4.930 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.856 5.219 8.473 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.221 4.180 10.673 1.00 0.00 H new ATOM 0 HG3 LYS A 69 7.813 5.829 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.284 6.341 11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.338 4.658 12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.596 5.211 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.840 5.901 12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.825 7.612 14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.495 7.938 12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.290 7.269 13.613 1.00 0.00 H new ATOM 1105 N ASN A 70 5.715 8.678 7.473 1.00 0.00 N ATOM 1106 CA ASN A 70 6.005 9.407 6.192 1.00 0.00 C ATOM 1107 C ASN A 70 7.114 8.782 5.327 1.00 0.00 C ATOM 1108 O ASN A 70 6.823 8.195 4.303 1.00 0.00 O ATOM 1109 CB ASN A 70 6.424 10.809 6.654 1.00 0.00 C ATOM 1110 CG ASN A 70 5.205 11.729 6.685 1.00 0.00 C ATOM 1111 OD1 ASN A 70 4.929 12.421 5.730 1.00 0.00 O ATOM 1112 ND2 ASN A 70 4.459 11.773 7.753 1.00 0.00 N ATOM 0 H ASN A 70 4.954 9.094 8.010 1.00 0.00 H new ATOM 0 HA ASN A 70 5.129 9.383 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.876 10.756 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.179 11.213 5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.646 12.389 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.688 11.192 8.559 1.00 0.00 H new ATOM 1119 N ARG A 71 8.372 8.949 5.708 1.00 0.00 N ATOM 1120 CA ARG A 71 9.526 8.424 4.882 1.00 0.00 C ATOM 1121 C ARG A 71 9.195 8.520 3.371 1.00 0.00 C ATOM 1122 O ARG A 71 9.396 7.571 2.631 1.00 0.00 O ATOM 1123 CB ARG A 71 9.732 6.960 5.336 1.00 0.00 C ATOM 1124 CG ARG A 71 8.596 6.056 4.820 1.00 0.00 C ATOM 1125 CD ARG A 71 8.825 4.603 5.264 1.00 0.00 C ATOM 1126 NE ARG A 71 10.217 4.262 4.840 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.982 3.551 5.625 1.00 0.00 C ATOM 1128 NH1 ARG A 71 11.277 4.000 6.816 1.00 0.00 N ATOM 1129 NH2 ARG A 71 11.442 2.392 5.222 1.00 0.00 N ATOM 0 H ARG A 71 8.650 9.431 6.563 1.00 0.00 H new ATOM 0 HA ARG A 71 10.437 9.005 5.028 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.690 6.593 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.771 6.915 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.638 6.412 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.547 6.107 3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.709 4.501 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.100 3.934 4.801 1.00 0.00 H new ATOM 0 HE ARG A 71 10.569 4.584 3.939 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.911 4.900 7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.874 3.451 7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.203 2.043 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.039 1.839 5.837 1.00 0.00 H new ATOM 1143 N PRO A 72 8.639 9.652 2.968 1.00 0.00 N ATOM 1144 CA PRO A 72 8.201 9.851 1.581 1.00 0.00 C ATOM 1145 C PRO A 72 9.128 10.774 0.793 1.00 0.00 C ATOM 1146 O PRO A 72 9.202 11.964 1.046 1.00 0.00 O ATOM 1147 CB PRO A 72 6.866 10.558 1.807 1.00 0.00 C ATOM 1148 CG PRO A 72 6.989 11.232 3.157 1.00 0.00 C ATOM 1149 CD PRO A 72 8.340 10.863 3.720 1.00 0.00 C ATOM 0 HA PRO A 72 8.170 8.925 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.670 11.287 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.039 9.848 1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.897 12.313 3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.192 10.904 3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 72 9.082 11.644 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.303 10.682 4.794 1.00 0.00 H new ATOM 1157 N ALA A 73 9.790 10.250 -0.194 1.00 0.00 N ATOM 1158 CA ALA A 73 10.654 11.119 -1.027 1.00 0.00 C ATOM 1159 C ALA A 73 9.815 11.729 -2.140 1.00 0.00 C ATOM 1160 O ALA A 73 9.954 12.883 -2.489 1.00 0.00 O ATOM 1161 CB ALA A 73 11.757 10.216 -1.583 1.00 0.00 C ATOM 0 H ALA A 73 9.771 9.265 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 73 11.093 11.942 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.428 10.805 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.320 9.779 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.310 9.420 -2.179 1.00 0.00 H new ATOM 1167 N TRP A 74 8.939 10.943 -2.679 1.00 0.00 N ATOM 1168 CA TRP A 74 8.044 11.408 -3.760 1.00 0.00 C ATOM 1169 C TRP A 74 6.765 11.986 -3.146 1.00 0.00 C ATOM 1170 O TRP A 74 6.227 12.964 -3.625 1.00 0.00 O ATOM 1171 CB TRP A 74 7.725 10.145 -4.582 1.00 0.00 C ATOM 1172 CG TRP A 74 8.963 9.305 -4.762 1.00 0.00 C ATOM 1173 CD1 TRP A 74 9.488 8.469 -3.834 1.00 0.00 C ATOM 1174 CD2 TRP A 74 9.827 9.213 -5.920 1.00 0.00 C ATOM 1175 NE1 TRP A 74 10.619 7.876 -4.351 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.869 8.299 -5.642 1.00 0.00 C ATOM 1177 CE3 TRP A 74 9.802 9.831 -7.171 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 11.858 8.010 -6.585 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 10.791 9.547 -8.127 1.00 0.00 C ATOM 1180 CH2 TRP A 74 11.817 8.637 -7.834 1.00 0.00 C ATOM 0 H TRP A 74 8.802 9.969 -2.407 1.00 0.00 H new ATOM 0 HA TRP A 74 8.493 12.187 -4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.953 9.562 -4.079 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.326 10.429 -5.556 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.085 8.295 -2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.199 7.208 -3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.016 10.533 -7.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.646 7.309 -6.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.761 10.031 -9.092 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.575 8.421 -8.572 1.00 0.00 H new ATOM 1191 N MET A 75 6.274 11.373 -2.087 1.00 0.00 N ATOM 1192 CA MET A 75 5.010 11.875 -1.431 1.00 0.00 C ATOM 1193 C MET A 75 4.628 11.015 -0.208 1.00 0.00 C ATOM 1194 O MET A 75 4.832 9.816 -0.219 1.00 0.00 O ATOM 1195 CB MET A 75 3.918 11.763 -2.502 1.00 0.00 C ATOM 1196 CG MET A 75 2.729 12.647 -2.114 1.00 0.00 C ATOM 1197 SD MET A 75 1.845 13.167 -3.607 1.00 0.00 S ATOM 1198 CE MET A 75 2.614 14.798 -3.768 1.00 0.00 C ATOM 0 H MET A 75 6.690 10.551 -1.649 1.00 0.00 H new ATOM 0 HA MET A 75 5.140 12.895 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.312 12.069 -3.471 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.597 10.726 -2.602 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.057 12.100 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.077 13.520 -1.563 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.208 15.307 -4.642 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.406 15.388 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.692 14.682 -3.883 1.00 0.00 H new ATOM 1208 N PRO A 76 4.056 11.655 0.794 1.00 0.00 N ATOM 1209 CA PRO A 76 3.599 10.953 2.022 1.00 0.00 C ATOM 1210 C PRO A 76 2.121 10.583 1.924 1.00 0.00 C ATOM 1211 O PRO A 76 1.449 10.953 0.975 1.00 0.00 O ATOM 1212 CB PRO A 76 3.819 12.010 3.102 1.00 0.00 C ATOM 1213 CG PRO A 76 3.769 13.342 2.396 1.00 0.00 C ATOM 1214 CD PRO A 76 3.799 13.092 0.903 1.00 0.00 C ATOM 0 HA PRO A 76 4.124 10.016 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.050 11.947 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.779 11.867 3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.864 13.884 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.615 13.961 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.855 13.366 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.580 13.676 0.415 1.00 0.00 H new ATOM 1222 N GLU A 77 1.589 9.859 2.892 1.00 0.00 N ATOM 1223 CA GLU A 77 0.143 9.510 2.788 1.00 0.00 C ATOM 1224 C GLU A 77 -0.711 10.504 3.565 1.00 0.00 C ATOM 1225 O GLU A 77 -1.872 10.260 3.807 1.00 0.00 O ATOM 1226 CB GLU A 77 -0.015 8.069 3.313 1.00 0.00 C ATOM 1227 CG GLU A 77 1.214 7.223 2.927 1.00 0.00 C ATOM 1228 CD GLU A 77 0.845 5.736 2.893 1.00 0.00 C ATOM 1229 OE1 GLU A 77 0.558 5.193 3.940 1.00 0.00 O ATOM 1230 OE2 GLU A 77 0.861 5.163 1.818 1.00 0.00 O ATOM 0 H GLU A 77 2.078 9.510 3.716 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.201 9.564 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.132 8.080 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.918 7.621 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.587 7.535 1.951 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.018 7.389 3.644 1.00 0.00 H new ATOM 1237 N LYS A 78 -0.165 11.651 3.921 1.00 0.00 N ATOM 1238 CA LYS A 78 -0.997 12.664 4.652 1.00 0.00 C ATOM 1239 C LYS A 78 -1.478 13.667 3.645 1.00 0.00 C ATOM 1240 O LYS A 78 -0.899 14.729 3.485 1.00 0.00 O ATOM 1241 CB LYS A 78 -0.071 13.341 5.679 1.00 0.00 C ATOM 1242 CG LYS A 78 -0.785 13.457 7.032 1.00 0.00 C ATOM 1243 CD LYS A 78 -2.135 14.161 6.853 1.00 0.00 C ATOM 1244 CE LYS A 78 -2.850 14.243 8.207 1.00 0.00 C ATOM 1245 NZ LYS A 78 -3.489 15.591 8.236 1.00 0.00 N ATOM 0 H LYS A 78 0.801 11.923 3.740 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.855 12.219 5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.846 12.763 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.217 14.331 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.936 12.466 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.165 14.015 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.985 15.162 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.750 13.616 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.594 13.453 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.146 14.124 9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.996 15.715 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.757 16.324 8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.160 15.674 7.446 1.00 0.00 H new ATOM 1259 N ILE A 79 -2.514 13.333 2.931 1.00 0.00 N ATOM 1260 CA ILE A 79 -2.986 14.290 1.882 1.00 0.00 C ATOM 1261 C ILE A 79 -4.181 13.749 1.108 1.00 0.00 C ATOM 1262 O ILE A 79 -4.501 12.578 1.172 1.00 0.00 O ATOM 1263 CB ILE A 79 -1.748 14.454 0.964 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -2.131 14.965 -0.431 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -1.001 13.105 0.824 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -2.348 16.480 -0.384 1.00 0.00 C ATOM 0 H ILE A 79 -3.045 12.466 3.019 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.335 15.232 2.305 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.098 15.194 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.345 14.723 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.039 14.468 -0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.134 13.235 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.673 12.767 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.670 12.362 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.620 16.840 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.149 16.711 0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.429 16.969 -0.060 1.00 0.00 H new ATOM 1278 N SER A 80 -4.786 14.594 0.311 1.00 0.00 N ATOM 1279 CA SER A 80 -5.913 14.141 -0.560 1.00 0.00 C ATOM 1280 C SER A 80 -5.271 13.267 -1.625 1.00 0.00 C ATOM 1281 O SER A 80 -4.485 13.746 -2.432 1.00 0.00 O ATOM 1282 CB SER A 80 -6.514 15.412 -1.175 1.00 0.00 C ATOM 1283 OG SER A 80 -6.480 16.470 -0.221 1.00 0.00 O ATOM 0 H SER A 80 -4.547 15.582 0.226 1.00 0.00 H new ATOM 0 HA SER A 80 -6.696 13.586 -0.043 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.955 15.695 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.541 15.225 -1.489 1.00 0.00 H new ATOM 0 HG SER A 80 -6.863 17.280 -0.617 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.499 11.983 -1.585 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.790 11.097 -2.547 1.00 0.00 C ATOM 1291 C LYS A 81 -5.415 9.716 -2.486 1.00 0.00 C ATOM 1292 O LYS A 81 -6.534 9.605 -2.092 1.00 0.00 O ATOM 1293 CB LYS A 81 -3.348 11.116 -2.027 1.00 0.00 C ATOM 1294 CG LYS A 81 -2.450 11.660 -3.131 1.00 0.00 C ATOM 1295 CD LYS A 81 -1.503 12.717 -2.558 1.00 0.00 C ATOM 1296 CE LYS A 81 -1.317 13.855 -3.574 1.00 0.00 C ATOM 1297 NZ LYS A 81 -2.561 14.686 -3.501 1.00 0.00 N ATOM 0 H LYS A 81 -6.135 11.516 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.843 11.405 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.274 11.739 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.034 10.112 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.876 10.848 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.057 12.095 -3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.906 13.112 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.539 12.266 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.436 14.451 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.171 13.460 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.980 14.768 -4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.243 14.234 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.325 15.634 -3.144 1.00 0.00 H new ATOM 1311 N PRO A 82 -4.712 8.693 -2.869 1.00 0.00 N ATOM 1312 CA PRO A 82 -5.322 7.366 -2.759 1.00 0.00 C ATOM 1313 C PRO A 82 -5.331 6.942 -1.278 1.00 0.00 C ATOM 1314 O PRO A 82 -4.303 6.979 -0.627 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.409 6.475 -3.591 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.089 7.172 -3.599 1.00 0.00 C ATOM 1317 CD PRO A 82 -3.358 8.642 -3.438 1.00 0.00 C ATOM 0 HA PRO A 82 -6.354 7.319 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.326 5.479 -3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.795 6.350 -4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.457 6.806 -2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.558 6.978 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.629 9.112 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.306 9.165 -4.393 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.471 6.547 -0.718 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.452 6.141 0.715 1.00 0.00 C ATOM 1327 C PHE A 83 -5.485 5.001 0.864 1.00 0.00 C ATOM 1328 O PHE A 83 -5.246 4.238 -0.056 1.00 0.00 O ATOM 1329 CB PHE A 83 -7.837 5.626 1.092 1.00 0.00 C ATOM 1330 CG PHE A 83 -8.709 6.728 1.638 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.145 7.939 2.045 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.098 6.544 1.727 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -8.947 8.947 2.529 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -10.902 7.574 2.207 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.308 8.779 2.608 1.00 0.00 C ATOM 0 H PHE A 83 -7.376 6.494 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.168 6.984 1.345 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.313 5.185 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.742 4.835 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.077 8.085 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.541 5.607 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.503 9.878 2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.973 7.446 2.270 1.00 0.00 H new ATOM 0 HZ PHE A 83 -10.926 9.582 2.982 1.00 0.00 H new ATOM 1345 N VAL A 84 -4.924 4.898 2.008 1.00 0.00 N ATOM 1346 CA VAL A 84 -3.943 3.841 2.257 1.00 0.00 C ATOM 1347 C VAL A 84 -3.985 3.431 3.739 1.00 0.00 C ATOM 1348 O VAL A 84 -3.364 4.036 4.594 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.621 4.493 1.819 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -2.179 5.559 2.821 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -1.534 3.431 1.661 1.00 0.00 C ATOM 0 H VAL A 84 -5.106 5.514 2.801 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.115 2.909 1.718 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.783 4.978 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.242 6.005 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.944 6.332 2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.036 5.101 3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.603 3.906 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.382 2.922 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.840 2.706 0.907 1.00 0.00 H new ATOM 1361 N LYS A 85 -4.723 2.394 4.054 1.00 0.00 N ATOM 1362 CA LYS A 85 -4.788 1.951 5.487 1.00 0.00 C ATOM 1363 C LYS A 85 -3.513 1.169 5.789 1.00 0.00 C ATOM 1364 O LYS A 85 -3.235 0.190 5.139 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.033 1.070 5.613 1.00 0.00 C ATOM 1366 CG LYS A 85 -6.998 1.681 6.634 1.00 0.00 C ATOM 1367 CD LYS A 85 -6.688 1.129 8.030 1.00 0.00 C ATOM 1368 CE LYS A 85 -7.881 1.381 8.961 1.00 0.00 C ATOM 1369 NZ LYS A 85 -7.432 2.457 9.893 1.00 0.00 N ATOM 0 H LYS A 85 -5.274 1.843 3.397 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.856 2.780 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.524 0.978 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.749 0.065 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.905 2.767 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.027 1.449 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.479 0.061 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.794 1.607 8.431 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.761 1.691 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.153 0.477 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.198 2.681 10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.597 2.132 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.187 3.308 9.348 1.00 0.00 H new ATOM 1383 N LYS A 86 -2.727 1.643 6.727 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.415 1.023 7.060 1.00 0.00 C ATOM 1385 C LYS A 86 -1.511 -0.120 8.057 1.00 0.00 C ATOM 1386 O LYS A 86 -1.441 0.049 9.260 1.00 0.00 O ATOM 1387 CB LYS A 86 -0.553 2.161 7.639 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.298 2.891 8.766 1.00 0.00 C ATOM 1389 CD LYS A 86 -1.770 4.262 8.262 1.00 0.00 C ATOM 1390 CE LYS A 86 -3.083 4.645 8.952 1.00 0.00 C ATOM 1391 NZ LYS A 86 -2.707 5.029 10.350 1.00 0.00 N ATOM 0 H LYS A 86 -2.954 2.462 7.291 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.988 0.576 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.384 1.755 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.297 2.867 6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.152 2.299 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.644 3.014 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.009 5.016 8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.911 4.234 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.570 5.472 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.785 3.811 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.220 4.427 11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.683 4.902 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.956 6.025 10.515 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.590 -1.285 7.527 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.601 -2.519 8.370 1.00 0.00 C ATOM 1407 C GLU A 87 -0.176 -3.130 8.377 1.00 0.00 C ATOM 1408 O GLU A 87 0.731 -2.624 7.729 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.627 -3.458 7.738 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.804 -3.645 8.696 1.00 0.00 C ATOM 1411 CD GLU A 87 -3.626 -4.953 9.466 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -2.723 -5.016 10.289 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -4.387 -5.870 9.216 1.00 0.00 O ATOM 0 H GLU A 87 -1.649 -1.455 6.523 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.873 -2.324 9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.977 -3.047 6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.167 -4.421 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.860 -2.806 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.741 -3.662 8.140 1.00 0.00 H new ATOM 1420 N ARG A 88 0.042 -4.193 9.114 1.00 0.00 N ATOM 1421 CA ARG A 88 1.436 -4.773 9.231 1.00 0.00 C ATOM 1422 C ARG A 88 2.183 -4.858 7.889 1.00 0.00 C ATOM 1423 O ARG A 88 1.661 -5.290 6.882 1.00 0.00 O ATOM 1424 CB ARG A 88 1.230 -6.180 9.799 1.00 0.00 C ATOM 1425 CG ARG A 88 1.730 -6.227 11.247 1.00 0.00 C ATOM 1426 CD ARG A 88 2.796 -7.321 11.394 1.00 0.00 C ATOM 1427 NE ARG A 88 4.094 -6.592 11.548 1.00 0.00 N ATOM 1428 CZ ARG A 88 4.475 -6.129 12.716 1.00 0.00 C ATOM 1429 NH1 ARG A 88 3.591 -5.898 13.658 1.00 0.00 N ATOM 1430 NH2 ARG A 88 5.741 -5.886 12.938 1.00 0.00 N ATOM 0 H ARG A 88 -0.677 -4.689 9.641 1.00 0.00 H new ATOM 0 HA ARG A 88 2.054 -4.131 9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.174 -6.448 9.759 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.768 -6.910 9.194 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.147 -5.260 11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.898 -6.424 11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.595 -7.952 12.260 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.813 -7.973 10.521 1.00 0.00 H new ATOM 0 HE ARG A 88 4.692 -6.453 10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.602 -6.078 13.485 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.893 -5.538 14.564 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.429 -6.056 12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.040 -5.526 13.844 1.00 0.00 H new ATOM 1444 N ILE A 89 3.429 -4.419 7.894 1.00 0.00 N ATOM 1445 CA ILE A 89 4.273 -4.431 6.655 1.00 0.00 C ATOM 1446 C ILE A 89 5.705 -4.869 6.999 1.00 0.00 C ATOM 1447 O ILE A 89 6.396 -4.210 7.757 1.00 0.00 O ATOM 1448 CB ILE A 89 4.284 -2.975 6.160 1.00 0.00 C ATOM 1449 CG1 ILE A 89 2.907 -2.593 5.618 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.322 -2.803 5.044 1.00 0.00 C ATOM 1451 CD1 ILE A 89 2.739 -1.076 5.687 1.00 0.00 C ATOM 0 H ILE A 89 3.899 -4.048 8.720 1.00 0.00 H new ATOM 0 HA ILE A 89 3.886 -5.121 5.905 1.00 0.00 H new ATOM 0 HB ILE A 89 4.540 -2.329 7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.801 -2.935 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.126 -3.084 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.320 -1.768 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.311 -3.058 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.073 -3.461 4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.758 -0.801 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.827 -0.747 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.512 -0.597 5.087 1.00 0.00 H new ATOM 1463 N GLU A 90 6.157 -5.953 6.429 1.00 0.00 N ATOM 1464 CA GLU A 90 7.547 -6.432 6.691 1.00 0.00 C ATOM 1465 C GLU A 90 8.202 -6.850 5.366 1.00 0.00 C ATOM 1466 O GLU A 90 7.849 -7.857 4.777 1.00 0.00 O ATOM 1467 CB GLU A 90 7.392 -7.637 7.627 1.00 0.00 C ATOM 1468 CG GLU A 90 7.997 -7.310 9.002 1.00 0.00 C ATOM 1469 CD GLU A 90 6.955 -6.634 9.914 1.00 0.00 C ATOM 1470 OE1 GLU A 90 5.786 -6.591 9.553 1.00 0.00 O ATOM 1471 OE2 GLU A 90 7.339 -6.176 10.977 1.00 0.00 O ATOM 0 H GLU A 90 5.618 -6.534 5.786 1.00 0.00 H new ATOM 0 HA GLU A 90 8.178 -5.663 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.338 -7.892 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.888 -8.508 7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.358 -8.225 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.858 -6.654 8.878 1.00 0.00 H new ATOM 1478 N LYS A 91 9.150 -6.084 4.890 1.00 0.00 N ATOM 1479 CA LYS A 91 9.823 -6.438 3.606 1.00 0.00 C ATOM 1480 C LYS A 91 11.302 -6.776 3.853 1.00 0.00 C ATOM 1481 O LYS A 91 11.919 -6.280 4.784 1.00 0.00 O ATOM 1482 CB LYS A 91 9.644 -5.201 2.699 1.00 0.00 C ATOM 1483 CG LYS A 91 10.939 -4.377 2.604 1.00 0.00 C ATOM 1484 CD LYS A 91 11.023 -3.408 3.788 1.00 0.00 C ATOM 1485 CE LYS A 91 12.474 -2.951 3.983 1.00 0.00 C ATOM 1486 NZ LYS A 91 13.214 -4.156 4.455 1.00 0.00 N ATOM 0 H LYS A 91 9.486 -5.230 5.335 1.00 0.00 H new ATOM 0 HA LYS A 91 9.395 -7.324 3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.342 -5.521 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.842 -4.575 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.804 -5.040 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.961 -3.823 1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.381 -2.545 3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.660 -3.894 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.894 -2.573 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.536 -2.143 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.949 -3.869 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.552 -4.810 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.658 -4.631 3.643 1.00 0.00 H new ATOM 1500 N LEU A 92 11.860 -7.634 3.035 1.00 0.00 N ATOM 1501 CA LEU A 92 13.283 -8.048 3.208 1.00 0.00 C ATOM 1502 C LEU A 92 14.243 -6.868 2.978 1.00 0.00 C ATOM 1503 O LEU A 92 13.843 -5.757 2.653 1.00 0.00 O ATOM 1504 CB LEU A 92 13.504 -9.127 2.135 1.00 0.00 C ATOM 1505 CG LEU A 92 13.599 -8.480 0.744 1.00 0.00 C ATOM 1506 CD1 LEU A 92 15.050 -8.516 0.259 1.00 0.00 C ATOM 1507 CD2 LEU A 92 12.718 -9.253 -0.241 1.00 0.00 C ATOM 0 H LEU A 92 11.382 -8.069 2.246 1.00 0.00 H new ATOM 0 HA LEU A 92 13.478 -8.408 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.417 -9.682 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.683 -9.844 2.155 1.00 0.00 H new ATOM 0 HG LEU A 92 13.260 -7.446 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 92 15.115 -8.057 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.681 -7.966 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.389 -9.550 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.786 -8.794 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.057 -10.287 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.683 -9.229 0.100 1.00 0.00 H new ATOM 1519 N GLU A 93 15.510 -7.114 3.134 1.00 0.00 N ATOM 1520 CA GLU A 93 16.530 -6.042 2.921 1.00 0.00 C ATOM 1521 C GLU A 93 17.623 -6.545 1.971 1.00 0.00 C ATOM 1522 O GLU A 93 17.699 -6.022 0.868 1.00 0.00 O ATOM 1523 CB GLU A 93 17.104 -5.730 4.307 1.00 0.00 C ATOM 1524 CG GLU A 93 17.423 -4.230 4.397 1.00 0.00 C ATOM 1525 CD GLU A 93 16.124 -3.425 4.364 1.00 0.00 C ATOM 1526 OE1 GLU A 93 15.440 -3.396 5.379 1.00 0.00 O ATOM 1527 OE2 GLU A 93 15.812 -2.867 3.324 1.00 0.00 O ATOM 1528 OXT GLU A 93 18.350 -7.450 2.350 1.00 0.00 O ATOM 0 H GLU A 93 15.892 -8.021 3.403 1.00 0.00 H new ATOM 0 HA GLU A 93 16.100 -5.149 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 93 16.389 -6.009 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.006 -6.317 4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.970 -4.019 5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.066 -3.935 3.568 1.00 0.00 H new TER 1535 GLU A 93