USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 843 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 103 HIS : no HD1:sc= -1.2 K(o=-2.5,f=0) USER MOD Set 1.2: A 104 HIS : no HD1:sc= -1.33 K(o=-2.5,f=0) USER MOD Set 2.1: A 54 CYS SG : rot 180:sc= 0.492 USER MOD Set 2.2: A 55 ASN : amide:sc= 0.91 K(o=1.4,f=0.51) USER MOD Single : A 1 MET CE :methyl -142:sc= -2.59! (180deg=-4.13!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 171:sc= 0.807 (180deg=0.678) USER MOD Single : A 4 SER OG : rot -114:sc= 0.879 USER MOD Single : A 7 LYS NZ :NH3+ 139:sc= -0.0426 (180deg=-0.289) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0314 USER MOD Single : A 28 MET CE :methyl 163:sc= -0.142 (180deg=-0.663) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 0.467 (180deg=-0.0738) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 57 MET CE :methyl -172:sc= -0.474 (180deg=-0.598) USER MOD Single : A 60 THR OG1 : rot -20:sc= -1.27 USER MOD Single : A 61 MET CE :methyl -152:sc= -0.0495 (180deg=-1.97) USER MOD Single : A 64 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 91 HIS : no HD1:sc=-0.00428 X(o=-0.0043,f=-0.0043) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -2.27! K(o=-2.3!,f=0.22) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.981 -10.666 -4.652 1.00 0.00 N ATOM 2 CA MET A 1 -4.992 -9.360 -5.346 1.00 0.00 C ATOM 3 C MET A 1 -4.048 -8.394 -4.653 1.00 0.00 C ATOM 4 O MET A 1 -4.028 -8.299 -3.424 1.00 0.00 O ATOM 5 CB MET A 1 -6.416 -8.797 -5.380 1.00 0.00 C ATOM 6 CG MET A 1 -6.549 -7.495 -6.151 1.00 0.00 C ATOM 7 SD MET A 1 -8.244 -6.887 -6.195 1.00 0.00 S ATOM 8 CE MET A 1 -8.051 -5.441 -7.231 1.00 0.00 C ATOM 0 H1 MET A 1 -5.630 -11.321 -5.134 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.018 -11.059 -4.667 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.287 -10.538 -3.666 1.00 0.00 H new ATOM 0 HA MET A 1 -4.651 -9.497 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.078 -9.540 -5.825 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.757 -8.638 -4.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.908 -6.740 -5.696 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.193 -7.643 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.690 -4.640 -6.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.011 -5.115 -7.210 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.334 -5.686 -8.255 1.00 0.00 H new ATOM 20 N LYS A 2 -3.264 -7.684 -5.448 1.00 0.00 N ATOM 21 CA LYS A 2 -2.183 -6.864 -4.922 1.00 0.00 C ATOM 22 C LYS A 2 -2.651 -5.439 -4.656 1.00 0.00 C ATOM 23 O LYS A 2 -3.633 -4.979 -5.239 1.00 0.00 O ATOM 24 CB LYS A 2 -1.012 -6.808 -5.909 1.00 0.00 C ATOM 25 CG LYS A 2 -0.777 -8.082 -6.717 1.00 0.00 C ATOM 26 CD LYS A 2 -0.666 -9.321 -5.847 1.00 0.00 C ATOM 27 CE LYS A 2 0.001 -10.462 -6.604 1.00 0.00 C ATOM 28 NZ LYS A 2 1.423 -10.159 -6.933 1.00 0.00 N ATOM 0 H LYS A 2 -3.356 -7.659 -6.464 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.861 -7.324 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.182 -5.984 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.102 -6.576 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.595 -8.213 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.136 -7.972 -7.302 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.091 -9.090 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.659 -9.629 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.046 -11.371 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.550 -10.658 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.882 -11.013 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.461 -9.403 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.920 -9.849 -6.073 1.00 0.00 H new ATOM 42 N LEU A 3 -1.933 -4.753 -3.779 1.00 0.00 N ATOM 43 CA LEU A 3 -2.104 -3.320 -3.581 1.00 0.00 C ATOM 44 C LEU A 3 -1.684 -2.583 -4.853 1.00 0.00 C ATOM 45 O LEU A 3 -2.243 -1.550 -5.213 1.00 0.00 O ATOM 46 CB LEU A 3 -1.270 -2.870 -2.371 1.00 0.00 C ATOM 47 CG LEU A 3 -1.236 -1.369 -2.100 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.641 -0.797 -2.012 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.482 -1.088 -0.814 1.00 0.00 C ATOM 0 H LEU A 3 -1.217 -5.172 -3.186 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.149 -3.086 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.656 -3.370 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.246 -3.216 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.722 -0.887 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.586 0.274 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.164 -0.969 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.182 -1.285 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.464 -0.014 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.979 -1.590 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.539 -1.458 -0.903 1.00 0.00 H new ATOM 61 N SER A 4 -0.708 -3.157 -5.540 1.00 0.00 N ATOM 62 CA SER A 4 -0.240 -2.647 -6.825 1.00 0.00 C ATOM 63 C SER A 4 -1.237 -2.966 -7.939 1.00 0.00 C ATOM 64 O SER A 4 -1.163 -2.421 -9.047 1.00 0.00 O ATOM 65 CB SER A 4 1.125 -3.267 -7.132 1.00 0.00 C ATOM 66 OG SER A 4 1.445 -3.198 -8.507 1.00 0.00 O ATOM 0 H SER A 4 -0.215 -3.992 -5.223 1.00 0.00 H new ATOM 0 HA SER A 4 -0.149 -1.562 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.894 -2.753 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.130 -4.309 -6.811 1.00 0.00 H new ATOM 0 HG SER A 4 1.480 -4.103 -8.881 1.00 0.00 H new ATOM 72 N GLU A 5 -2.181 -3.838 -7.630 1.00 0.00 N ATOM 73 CA GLU A 5 -3.152 -4.300 -8.603 1.00 0.00 C ATOM 74 C GLU A 5 -4.463 -3.538 -8.432 1.00 0.00 C ATOM 75 O GLU A 5 -5.438 -3.765 -9.152 1.00 0.00 O ATOM 76 CB GLU A 5 -3.356 -5.803 -8.421 1.00 0.00 C ATOM 77 CG GLU A 5 -4.227 -6.460 -9.473 1.00 0.00 C ATOM 78 CD GLU A 5 -4.263 -7.964 -9.323 1.00 0.00 C ATOM 79 OE1 GLU A 5 -4.254 -8.450 -8.171 1.00 0.00 O ATOM 80 OE2 GLU A 5 -4.302 -8.667 -10.355 1.00 0.00 O ATOM 0 H GLU A 5 -2.295 -4.244 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.790 -4.114 -9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.381 -6.290 -8.421 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.800 -5.979 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.240 -6.065 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.853 -6.204 -10.464 1.00 0.00 H new ATOM 87 N LEU A 6 -4.478 -2.624 -7.471 1.00 0.00 N ATOM 88 CA LEU A 6 -5.638 -1.770 -7.247 1.00 0.00 C ATOM 89 C LEU A 6 -5.665 -0.625 -8.255 1.00 0.00 C ATOM 90 O LEU A 6 -4.714 -0.429 -9.012 1.00 0.00 O ATOM 91 CB LEU A 6 -5.641 -1.211 -5.821 1.00 0.00 C ATOM 92 CG LEU A 6 -5.935 -2.228 -4.719 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.866 -1.568 -3.352 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.301 -2.858 -4.926 1.00 0.00 C ATOM 0 H LEU A 6 -3.700 -2.454 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.531 -2.380 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.669 -0.758 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.382 -0.413 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.178 -3.011 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.078 -2.307 -2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.869 -1.157 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.602 -0.766 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.493 -3.579 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.066 -2.082 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.325 -3.365 -5.891 1.00 0.00 H new ATOM 106 N LYS A 7 -6.755 0.125 -8.260 1.00 0.00 N ATOM 107 CA LYS A 7 -6.922 1.227 -9.195 1.00 0.00 C ATOM 108 C LYS A 7 -6.987 2.549 -8.447 1.00 0.00 C ATOM 109 O LYS A 7 -7.280 2.574 -7.249 1.00 0.00 O ATOM 110 CB LYS A 7 -8.200 1.035 -10.010 1.00 0.00 C ATOM 111 CG LYS A 7 -8.277 -0.308 -10.714 1.00 0.00 C ATOM 112 CD LYS A 7 -7.273 -0.403 -11.856 1.00 0.00 C ATOM 113 CE LYS A 7 -7.341 -1.752 -12.557 1.00 0.00 C ATOM 114 NZ LYS A 7 -8.705 -2.046 -13.072 1.00 0.00 N ATOM 0 H LYS A 7 -7.541 -0.010 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.065 1.242 -9.869 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.061 1.139 -9.350 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.270 1.830 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.089 -1.107 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.285 -0.459 -11.102 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.466 0.391 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.266 -0.245 -11.469 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.631 -1.767 -13.384 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.039 -2.536 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.634 -2.481 -14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.187 -2.701 -12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.249 -1.162 -13.139 1.00 0.00 H new ATOM 128 N ALA A 8 -6.711 3.640 -9.151 1.00 0.00 N ATOM 129 CA ALA A 8 -6.819 4.970 -8.568 1.00 0.00 C ATOM 130 C ALA A 8 -8.270 5.278 -8.220 1.00 0.00 C ATOM 131 O ALA A 8 -9.082 5.586 -9.094 1.00 0.00 O ATOM 132 CB ALA A 8 -6.257 6.017 -9.520 1.00 0.00 C ATOM 0 H ALA A 8 -6.411 3.629 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.233 4.997 -7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.346 7.005 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.207 5.802 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.815 5.995 -10.456 1.00 0.00 H new ATOM 138 N GLY A 9 -8.594 5.168 -6.942 1.00 0.00 N ATOM 139 CA GLY A 9 -9.961 5.345 -6.505 1.00 0.00 C ATOM 140 C GLY A 9 -10.462 4.144 -5.732 1.00 0.00 C ATOM 141 O GLY A 9 -11.512 4.197 -5.089 1.00 0.00 O ATOM 0 H GLY A 9 -7.931 4.958 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.031 6.235 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.601 5.513 -7.371 1.00 0.00 H new ATOM 145 N ASP A 10 -9.707 3.053 -5.791 1.00 0.00 N ATOM 146 CA ASP A 10 -10.079 1.836 -5.085 1.00 0.00 C ATOM 147 C ASP A 10 -9.623 1.883 -3.636 1.00 0.00 C ATOM 148 O ASP A 10 -8.586 2.467 -3.313 1.00 0.00 O ATOM 149 CB ASP A 10 -9.525 0.591 -5.790 1.00 0.00 C ATOM 150 CG ASP A 10 -10.528 -0.014 -6.749 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.679 -0.258 -6.334 1.00 0.00 O ATOM 152 OD2 ASP A 10 -10.174 -0.234 -7.923 1.00 0.00 O ATOM 0 H ASP A 10 -8.837 2.988 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.167 1.770 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.618 0.856 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.243 -0.152 -5.044 1.00 0.00 H new ATOM 157 N ARG A 11 -10.414 1.271 -2.772 1.00 0.00 N ATOM 158 CA ARG A 11 -10.175 1.307 -1.341 1.00 0.00 C ATOM 159 C ARG A 11 -10.231 -0.107 -0.777 1.00 0.00 C ATOM 160 O ARG A 11 -11.197 -0.837 -1.011 1.00 0.00 O ATOM 161 CB ARG A 11 -11.229 2.194 -0.682 1.00 0.00 C ATOM 162 CG ARG A 11 -10.934 2.552 0.758 1.00 0.00 C ATOM 163 CD ARG A 11 -11.942 3.559 1.283 1.00 0.00 C ATOM 164 NE ARG A 11 -11.627 3.983 2.642 1.00 0.00 N ATOM 165 CZ ARG A 11 -11.960 5.167 3.153 1.00 0.00 C ATOM 166 NH1 ARG A 11 -12.663 6.036 2.433 1.00 0.00 N ATOM 167 NH2 ARG A 11 -11.591 5.477 4.388 1.00 0.00 N ATOM 0 H ARG A 11 -11.239 0.736 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.187 1.719 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.325 3.113 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.193 1.687 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.958 1.652 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.928 2.964 0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.962 4.429 0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.939 3.120 1.261 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.119 3.331 3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.950 5.797 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.915 6.941 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.054 4.810 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.844 6.383 4.784 1.00 0.00 H new ATOM 181 N ALA A 12 -9.203 -0.497 -0.043 1.00 0.00 N ATOM 182 CA ALA A 12 -9.084 -1.871 0.415 1.00 0.00 C ATOM 183 C ALA A 12 -8.371 -1.946 1.755 1.00 0.00 C ATOM 184 O ALA A 12 -7.759 -0.974 2.196 1.00 0.00 O ATOM 185 CB ALA A 12 -8.335 -2.697 -0.622 1.00 0.00 C ATOM 0 H ALA A 12 -8.441 0.116 0.248 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.088 -2.275 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.248 -3.726 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.880 -2.678 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.339 -2.279 -0.770 1.00 0.00 H new ATOM 191 N GLU A 13 -8.464 -3.101 2.402 1.00 0.00 N ATOM 192 CA GLU A 13 -7.704 -3.358 3.616 1.00 0.00 C ATOM 193 C GLU A 13 -6.589 -4.351 3.320 1.00 0.00 C ATOM 194 O GLU A 13 -6.746 -5.241 2.480 1.00 0.00 O ATOM 195 CB GLU A 13 -8.597 -3.892 4.743 1.00 0.00 C ATOM 196 CG GLU A 13 -9.308 -5.199 4.422 1.00 0.00 C ATOM 197 CD GLU A 13 -9.907 -5.843 5.657 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.751 -5.208 6.320 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.524 -6.988 5.985 1.00 0.00 O ATOM 0 H GLU A 13 -9.059 -3.874 2.105 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.277 -2.413 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.987 -4.035 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.345 -3.137 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.096 -5.012 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.603 -5.890 3.959 1.00 0.00 H new ATOM 206 N VAL A 14 -5.464 -4.189 3.991 1.00 0.00 N ATOM 207 CA VAL A 14 -4.325 -5.066 3.789 1.00 0.00 C ATOM 208 C VAL A 14 -4.490 -6.361 4.571 1.00 0.00 C ATOM 209 O VAL A 14 -4.588 -6.347 5.798 1.00 0.00 O ATOM 210 CB VAL A 14 -3.012 -4.386 4.216 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.832 -5.321 4.015 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.808 -3.091 3.448 1.00 0.00 C ATOM 0 H VAL A 14 -5.314 -3.455 4.683 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.279 -5.289 2.723 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.079 -4.148 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.914 -4.820 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.974 -6.220 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.760 -5.595 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.875 -2.624 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.764 -3.304 2.380 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.638 -2.414 3.649 1.00 0.00 H new ATOM 222 N THR A 15 -4.516 -7.477 3.859 1.00 0.00 N ATOM 223 CA THR A 15 -4.637 -8.773 4.494 1.00 0.00 C ATOM 224 C THR A 15 -3.260 -9.368 4.773 1.00 0.00 C ATOM 225 O THR A 15 -3.072 -10.100 5.743 1.00 0.00 O ATOM 226 CB THR A 15 -5.461 -9.745 3.630 1.00 0.00 C ATOM 227 OG1 THR A 15 -4.930 -9.796 2.299 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.921 -9.320 3.580 1.00 0.00 C ATOM 0 H THR A 15 -4.455 -7.508 2.841 1.00 0.00 H new ATOM 0 HA THR A 15 -5.159 -8.627 5.440 1.00 0.00 H new ATOM 0 HB THR A 15 -5.400 -10.735 4.082 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.461 -10.418 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.483 -10.022 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.333 -9.313 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.995 -8.321 3.151 1.00 0.00 H new ATOM 236 N SER A 16 -2.293 -9.041 3.922 1.00 0.00 N ATOM 237 CA SER A 16 -0.932 -9.543 4.075 1.00 0.00 C ATOM 238 C SER A 16 0.069 -8.597 3.424 1.00 0.00 C ATOM 239 O SER A 16 -0.161 -8.102 2.326 1.00 0.00 O ATOM 240 CB SER A 16 -0.806 -10.937 3.450 1.00 0.00 C ATOM 241 OG SER A 16 -1.655 -11.873 4.095 1.00 0.00 O ATOM 0 H SER A 16 -2.427 -8.429 3.117 1.00 0.00 H new ATOM 0 HA SER A 16 -0.712 -9.606 5.141 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.057 -10.886 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.228 -11.275 3.517 1.00 0.00 H new ATOM 0 HG SER A 16 -1.553 -12.752 3.673 1.00 0.00 H new ATOM 247 N VAL A 17 1.177 -8.340 4.105 1.00 0.00 N ATOM 248 CA VAL A 17 2.196 -7.447 3.574 1.00 0.00 C ATOM 249 C VAL A 17 3.456 -8.228 3.214 1.00 0.00 C ATOM 250 O VAL A 17 4.165 -8.708 4.098 1.00 0.00 O ATOM 251 CB VAL A 17 2.580 -6.346 4.590 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.482 -5.304 3.945 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.343 -5.696 5.189 1.00 0.00 C ATOM 0 H VAL A 17 1.392 -8.735 5.021 1.00 0.00 H new ATOM 0 HA VAL A 17 1.773 -6.979 2.685 1.00 0.00 H new ATOM 0 HB VAL A 17 3.134 -6.819 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.738 -4.540 4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.393 -5.783 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.962 -4.841 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.644 -4.926 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.749 -5.244 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.748 -6.451 5.703 1.00 0.00 H new ATOM 263 N ALA A 18 3.719 -8.375 1.926 1.00 0.00 N ATOM 264 CA ALA A 18 4.964 -8.972 1.474 1.00 0.00 C ATOM 265 C ALA A 18 5.884 -7.901 0.909 1.00 0.00 C ATOM 266 O ALA A 18 5.551 -7.233 -0.067 1.00 0.00 O ATOM 267 CB ALA A 18 4.703 -10.055 0.444 1.00 0.00 C ATOM 0 H ALA A 18 3.088 -8.090 1.177 1.00 0.00 H new ATOM 0 HA ALA A 18 5.455 -9.436 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.651 -10.486 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.081 -10.834 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.189 -9.624 -0.415 1.00 0.00 H new ATOM 273 N ALA A 19 7.031 -7.732 1.539 1.00 0.00 N ATOM 274 CA ALA A 19 7.998 -6.724 1.132 1.00 0.00 C ATOM 275 C ALA A 19 9.337 -7.032 1.767 1.00 0.00 C ATOM 276 O ALA A 19 9.423 -7.931 2.609 1.00 0.00 O ATOM 277 CB ALA A 19 7.531 -5.332 1.535 1.00 0.00 C ATOM 0 H ALA A 19 7.320 -8.286 2.345 1.00 0.00 H new ATOM 0 HA ALA A 19 8.096 -6.744 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.270 -4.595 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.576 -5.116 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.412 -5.287 2.618 1.00 0.00 H new ATOM 283 N GLU A 20 10.368 -6.297 1.377 1.00 0.00 N ATOM 284 CA GLU A 20 11.683 -6.454 1.982 1.00 0.00 C ATOM 285 C GLU A 20 11.563 -6.128 3.470 1.00 0.00 C ATOM 286 O GLU A 20 10.828 -5.216 3.834 1.00 0.00 O ATOM 287 CB GLU A 20 12.657 -5.492 1.285 1.00 0.00 C ATOM 288 CG GLU A 20 14.068 -6.027 1.058 1.00 0.00 C ATOM 289 CD GLU A 20 14.905 -6.107 2.316 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.826 -5.188 3.153 1.00 0.00 O ATOM 291 OE2 GLU A 20 15.644 -7.104 2.474 1.00 0.00 O ATOM 0 H GLU A 20 10.320 -5.587 0.646 1.00 0.00 H new ATOM 0 HA GLU A 20 12.057 -7.472 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.235 -5.213 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.725 -4.580 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.002 -7.020 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.576 -5.388 0.336 1.00 0.00 H new ATOM 298 N PRO A 21 12.252 -6.874 4.344 1.00 0.00 N ATOM 299 CA PRO A 21 12.205 -6.651 5.789 1.00 0.00 C ATOM 300 C PRO A 21 12.432 -5.190 6.176 1.00 0.00 C ATOM 301 O PRO A 21 11.753 -4.666 7.063 1.00 0.00 O ATOM 302 CB PRO A 21 13.320 -7.539 6.356 1.00 0.00 C ATOM 303 CG PRO A 21 13.973 -8.208 5.189 1.00 0.00 C ATOM 304 CD PRO A 21 13.079 -8.026 3.995 1.00 0.00 C ATOM 0 HA PRO A 21 11.219 -6.895 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.042 -6.944 6.915 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.913 -8.277 7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.955 -7.774 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.127 -9.268 5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.656 -7.843 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.472 -8.913 3.812 1.00 0.00 H new ATOM 312 N ALA A 22 13.363 -4.527 5.496 1.00 0.00 N ATOM 313 CA ALA A 22 13.651 -3.125 5.766 1.00 0.00 C ATOM 314 C ALA A 22 12.470 -2.245 5.375 1.00 0.00 C ATOM 315 O ALA A 22 12.085 -1.336 6.110 1.00 0.00 O ATOM 316 CB ALA A 22 14.901 -2.692 5.022 1.00 0.00 C ATOM 0 H ALA A 22 13.930 -4.939 4.755 1.00 0.00 H new ATOM 0 HA ALA A 22 13.822 -3.010 6.836 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.105 -1.642 5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.746 -3.298 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.751 -2.824 3.951 1.00 0.00 H new ATOM 322 N VAL A 23 11.895 -2.531 4.218 1.00 0.00 N ATOM 323 CA VAL A 23 10.747 -1.784 3.724 1.00 0.00 C ATOM 324 C VAL A 23 9.517 -2.083 4.580 1.00 0.00 C ATOM 325 O VAL A 23 8.748 -1.189 4.920 1.00 0.00 O ATOM 326 CB VAL A 23 10.459 -2.136 2.246 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.226 -1.408 1.734 1.00 0.00 C ATOM 328 CG2 VAL A 23 11.665 -1.803 1.383 1.00 0.00 C ATOM 0 H VAL A 23 12.206 -3.280 3.599 1.00 0.00 H new ATOM 0 HA VAL A 23 10.977 -0.721 3.788 1.00 0.00 H new ATOM 0 HB VAL A 23 10.264 -3.207 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.051 -1.677 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.361 -1.693 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.381 -0.332 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.450 -2.055 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.884 -0.738 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.527 -2.377 1.725 1.00 0.00 H new ATOM 338 N ARG A 24 9.378 -3.351 4.947 1.00 0.00 N ATOM 339 CA ARG A 24 8.262 -3.830 5.759 1.00 0.00 C ATOM 340 C ARG A 24 8.188 -3.079 7.082 1.00 0.00 C ATOM 341 O ARG A 24 7.122 -2.623 7.487 1.00 0.00 O ATOM 342 CB ARG A 24 8.440 -5.325 6.021 1.00 0.00 C ATOM 343 CG ARG A 24 7.208 -6.026 6.565 1.00 0.00 C ATOM 344 CD ARG A 24 7.508 -7.494 6.815 1.00 0.00 C ATOM 345 NE ARG A 24 8.208 -8.098 5.677 1.00 0.00 N ATOM 346 CZ ARG A 24 8.986 -9.178 5.760 1.00 0.00 C ATOM 347 NH1 ARG A 24 9.129 -9.812 6.914 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.615 -9.627 4.679 1.00 0.00 N ATOM 0 H ARG A 24 10.040 -4.082 4.689 1.00 0.00 H new ATOM 0 HA ARG A 24 7.332 -3.654 5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.736 -5.810 5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.260 -5.461 6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.889 -5.549 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.384 -5.931 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.117 -7.595 7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.577 -8.031 6.998 1.00 0.00 H new ATOM 0 HE ARG A 24 8.092 -7.663 4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.643 -9.475 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.725 -10.638 6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.503 -9.146 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.210 -10.453 4.742 1.00 0.00 H new ATOM 362 N ARG A 25 9.334 -2.952 7.740 1.00 0.00 N ATOM 363 CA ARG A 25 9.436 -2.229 9.003 1.00 0.00 C ATOM 364 C ARG A 25 8.966 -0.787 8.830 1.00 0.00 C ATOM 365 O ARG A 25 8.218 -0.260 9.655 1.00 0.00 O ATOM 366 CB ARG A 25 10.885 -2.263 9.492 1.00 0.00 C ATOM 367 CG ARG A 25 11.120 -1.578 10.830 1.00 0.00 C ATOM 368 CD ARG A 25 10.477 -2.336 11.980 1.00 0.00 C ATOM 369 NE ARG A 25 10.975 -1.860 13.273 1.00 0.00 N ATOM 370 CZ ARG A 25 11.287 -2.658 14.291 1.00 0.00 C ATOM 371 NH1 ARG A 25 10.997 -3.948 14.234 1.00 0.00 N ATOM 372 NH2 ARG A 25 11.848 -2.161 15.386 1.00 0.00 N ATOM 0 H ARG A 25 10.217 -3.346 7.415 1.00 0.00 H new ATOM 0 HA ARG A 25 8.796 -2.709 9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.204 -3.302 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.519 -1.791 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.192 -1.490 11.009 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.718 -0.565 10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.394 -2.216 11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.684 -3.401 11.878 1.00 0.00 H new ATOM 0 HE ARG A 25 11.090 -0.855 13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.534 -4.331 13.410 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.236 -4.559 15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.042 -1.162 15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.085 -2.778 16.163 1.00 0.00 H new ATOM 386 N ARG A 26 9.392 -0.171 7.735 1.00 0.00 N ATOM 387 CA ARG A 26 9.005 1.197 7.414 1.00 0.00 C ATOM 388 C ARG A 26 7.505 1.289 7.130 1.00 0.00 C ATOM 389 O ARG A 26 6.849 2.251 7.526 1.00 0.00 O ATOM 390 CB ARG A 26 9.807 1.697 6.211 1.00 0.00 C ATOM 391 CG ARG A 26 11.283 1.922 6.508 1.00 0.00 C ATOM 392 CD ARG A 26 12.098 2.016 5.225 1.00 0.00 C ATOM 393 NE ARG A 26 13.482 2.442 5.461 1.00 0.00 N ATOM 394 CZ ARG A 26 14.476 1.623 5.821 1.00 0.00 C ATOM 395 NH1 ARG A 26 14.237 0.354 6.112 1.00 0.00 N ATOM 396 NH2 ARG A 26 15.715 2.085 5.925 1.00 0.00 N ATOM 0 H ARG A 26 10.011 -0.602 7.048 1.00 0.00 H new ATOM 0 HA ARG A 26 9.224 1.829 8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.715 0.975 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.370 2.631 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.404 2.838 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.661 1.105 7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.101 1.045 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.617 2.719 4.545 1.00 0.00 H new ATOM 0 HE ARG A 26 13.701 3.431 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.285 -0.010 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.004 -0.260 6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.911 3.067 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.472 1.458 6.200 1.00 0.00 H new ATOM 410 N LEU A 27 6.969 0.277 6.457 1.00 0.00 N ATOM 411 CA LEU A 27 5.546 0.238 6.134 1.00 0.00 C ATOM 412 C LEU A 27 4.710 0.021 7.388 1.00 0.00 C ATOM 413 O LEU A 27 3.700 0.691 7.589 1.00 0.00 O ATOM 414 CB LEU A 27 5.251 -0.866 5.113 1.00 0.00 C ATOM 415 CG LEU A 27 5.918 -0.686 3.746 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.525 -1.819 2.810 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.544 0.661 3.144 1.00 0.00 C ATOM 0 H LEU A 27 7.498 -0.529 6.124 1.00 0.00 H new ATOM 0 HA LEU A 27 5.278 1.200 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.570 -1.821 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.172 -0.926 4.968 1.00 0.00 H new ATOM 0 HG LEU A 27 6.999 -0.712 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.007 -1.676 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.843 -2.770 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.443 -1.824 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.027 0.772 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.462 0.717 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.875 1.460 3.807 1.00 0.00 H new ATOM 429 N MET A 28 5.142 -0.904 8.240 1.00 0.00 N ATOM 430 CA MET A 28 4.445 -1.170 9.497 1.00 0.00 C ATOM 431 C MET A 28 4.460 0.072 10.382 1.00 0.00 C ATOM 432 O MET A 28 3.513 0.335 11.127 1.00 0.00 O ATOM 433 CB MET A 28 5.086 -2.351 10.230 1.00 0.00 C ATOM 434 CG MET A 28 4.900 -3.683 9.516 1.00 0.00 C ATOM 435 SD MET A 28 5.735 -5.048 10.353 1.00 0.00 S ATOM 436 CE MET A 28 4.937 -5.005 11.956 1.00 0.00 C ATOM 0 H MET A 28 5.969 -1.481 8.085 1.00 0.00 H new ATOM 0 HA MET A 28 3.410 -1.427 9.269 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.152 -2.158 10.350 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.660 -2.422 11.231 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.835 -3.905 9.442 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.280 -3.600 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.112 -5.947 12.475 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.347 -4.185 12.545 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.865 -4.857 11.825 1.00 0.00 H new ATOM 446 N ASP A 29 5.541 0.836 10.276 1.00 0.00 N ATOM 447 CA ASP A 29 5.676 2.109 10.979 1.00 0.00 C ATOM 448 C ASP A 29 4.656 3.121 10.469 1.00 0.00 C ATOM 449 O ASP A 29 4.166 3.964 11.218 1.00 0.00 O ATOM 450 CB ASP A 29 7.092 2.656 10.788 1.00 0.00 C ATOM 451 CG ASP A 29 7.279 4.041 11.374 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.383 4.159 12.612 1.00 0.00 O ATOM 453 OD2 ASP A 29 7.344 5.015 10.595 1.00 0.00 O ATOM 0 H ASP A 29 6.348 0.592 9.702 1.00 0.00 H new ATOM 0 HA ASP A 29 5.491 1.940 12.040 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.804 1.973 11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.323 2.684 9.723 1.00 0.00 H new ATOM 458 N LEU A 30 4.327 3.013 9.193 1.00 0.00 N ATOM 459 CA LEU A 30 3.351 3.897 8.570 1.00 0.00 C ATOM 460 C LEU A 30 1.940 3.330 8.704 1.00 0.00 C ATOM 461 O LEU A 30 1.021 3.749 8.001 1.00 0.00 O ATOM 462 CB LEU A 30 3.700 4.118 7.097 1.00 0.00 C ATOM 463 CG LEU A 30 5.011 4.870 6.851 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.305 4.967 5.364 1.00 0.00 C ATOM 465 CD2 LEU A 30 4.954 6.261 7.469 1.00 0.00 C ATOM 0 H LEU A 30 4.724 2.317 8.562 1.00 0.00 H new ATOM 0 HA LEU A 30 3.381 4.857 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.756 3.148 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.887 4.670 6.625 1.00 0.00 H new ATOM 0 HG LEU A 30 5.817 4.311 7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.241 5.505 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.390 3.965 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.495 5.501 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.894 6.780 7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.135 6.824 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.792 6.175 8.544 1.00 0.00 H new ATOM 477 N GLY A 31 1.786 2.365 9.602 1.00 0.00 N ATOM 478 CA GLY A 31 0.473 1.830 9.906 1.00 0.00 C ATOM 479 C GLY A 31 -0.009 0.824 8.882 1.00 0.00 C ATOM 480 O GLY A 31 -1.181 0.456 8.872 1.00 0.00 O ATOM 0 H GLY A 31 2.551 1.942 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.498 1.357 10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.242 2.650 9.966 1.00 0.00 H new ATOM 484 N LEU A 32 0.889 0.377 8.017 1.00 0.00 N ATOM 485 CA LEU A 32 0.529 -0.590 6.994 1.00 0.00 C ATOM 486 C LEU A 32 0.685 -2.004 7.550 1.00 0.00 C ATOM 487 O LEU A 32 1.749 -2.617 7.452 1.00 0.00 O ATOM 488 CB LEU A 32 1.389 -0.381 5.741 1.00 0.00 C ATOM 489 CG LEU A 32 0.753 -0.802 4.409 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.603 -0.315 3.246 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.579 -2.311 4.332 1.00 0.00 C ATOM 0 H LEU A 32 1.867 0.667 8.003 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.513 -0.448 6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.652 0.675 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.320 -0.934 5.867 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.235 -0.345 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.142 -0.619 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.676 0.772 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.601 -0.748 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.126 -2.577 3.377 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.552 -2.794 4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.066 -2.645 5.145 1.00 0.00 H new ATOM 503 N VAL A 33 -0.377 -2.491 8.172 1.00 0.00 N ATOM 504 CA VAL A 33 -0.391 -3.822 8.760 1.00 0.00 C ATOM 505 C VAL A 33 -1.656 -4.569 8.350 1.00 0.00 C ATOM 506 O VAL A 33 -2.436 -4.079 7.534 1.00 0.00 O ATOM 507 CB VAL A 33 -0.311 -3.771 10.302 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.033 -3.221 10.763 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.451 -2.940 10.878 1.00 0.00 C ATOM 0 H VAL A 33 -1.251 -1.977 8.284 1.00 0.00 H new ATOM 0 HA VAL A 33 0.489 -4.347 8.387 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.407 -4.791 10.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.062 -3.196 11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.834 -3.861 10.393 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.166 -2.212 10.374 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.373 -2.919 11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.392 -1.923 10.490 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.405 -3.383 10.591 1.00 0.00 H new ATOM 519 N ARG A 34 -1.857 -5.750 8.917 1.00 0.00 N ATOM 520 CA ARG A 34 -3.037 -6.544 8.609 1.00 0.00 C ATOM 521 C ARG A 34 -4.284 -5.892 9.198 1.00 0.00 C ATOM 522 O ARG A 34 -4.397 -5.720 10.413 1.00 0.00 O ATOM 523 CB ARG A 34 -2.876 -7.971 9.135 1.00 0.00 C ATOM 524 CG ARG A 34 -4.064 -8.872 8.829 1.00 0.00 C ATOM 525 CD ARG A 34 -3.794 -10.309 9.245 1.00 0.00 C ATOM 526 NE ARG A 34 -2.683 -10.895 8.499 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.269 -12.152 8.649 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.868 -12.952 9.520 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.252 -12.604 7.923 1.00 0.00 N ATOM 0 H ARG A 34 -1.221 -6.178 9.590 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.151 -6.590 7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.977 -8.410 8.702 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.725 -7.937 10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.947 -8.501 9.349 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.284 -8.836 7.762 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.572 -10.342 10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.692 -10.907 9.088 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.195 -10.307 7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.648 -12.605 10.078 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.548 -13.914 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.791 -11.989 7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.933 -13.566 8.036 1.00 0.00 H new ATOM 543 N GLY A 35 -5.206 -5.516 8.327 1.00 0.00 N ATOM 544 CA GLY A 35 -6.410 -4.841 8.762 1.00 0.00 C ATOM 545 C GLY A 35 -6.342 -3.349 8.514 1.00 0.00 C ATOM 546 O GLY A 35 -7.309 -2.624 8.768 1.00 0.00 O ATOM 0 H GLY A 35 -5.141 -5.667 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.270 -5.257 8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.566 -5.026 9.825 1.00 0.00 H new ATOM 550 N ALA A 36 -5.191 -2.888 8.030 1.00 0.00 N ATOM 551 CA ALA A 36 -5.014 -1.492 7.677 1.00 0.00 C ATOM 552 C ALA A 36 -5.796 -1.168 6.419 1.00 0.00 C ATOM 553 O ALA A 36 -5.571 -1.762 5.365 1.00 0.00 O ATOM 554 CB ALA A 36 -3.542 -1.168 7.484 1.00 0.00 C ATOM 0 H ALA A 36 -4.367 -3.468 7.875 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.393 -0.879 8.494 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.433 -0.116 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.001 -1.368 8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.135 -1.787 6.685 1.00 0.00 H new ATOM 560 N LYS A 37 -6.721 -0.240 6.545 1.00 0.00 N ATOM 561 CA LYS A 37 -7.591 0.128 5.444 1.00 0.00 C ATOM 562 C LYS A 37 -7.072 1.388 4.774 1.00 0.00 C ATOM 563 O LYS A 37 -6.918 2.430 5.421 1.00 0.00 O ATOM 564 CB LYS A 37 -9.004 0.347 5.969 1.00 0.00 C ATOM 565 CG LYS A 37 -9.492 -0.800 6.836 1.00 0.00 C ATOM 566 CD LYS A 37 -10.742 -0.432 7.614 1.00 0.00 C ATOM 567 CE LYS A 37 -11.040 -1.467 8.685 1.00 0.00 C ATOM 568 NZ LYS A 37 -9.890 -1.637 9.616 1.00 0.00 N ATOM 0 H LYS A 37 -6.892 0.278 7.407 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.606 -0.674 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.033 1.271 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.684 0.475 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.698 -1.667 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.704 -1.090 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.613 0.547 8.075 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.589 -0.354 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.923 -1.165 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.273 -2.422 8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.208 -2.131 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.146 -2.196 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.511 -0.703 9.874 1.00 0.00 H new ATOM 582 N LEU A 38 -6.807 1.294 3.486 1.00 0.00 N ATOM 583 CA LEU A 38 -6.198 2.389 2.761 1.00 0.00 C ATOM 584 C LEU A 38 -6.912 2.647 1.444 1.00 0.00 C ATOM 585 O LEU A 38 -7.550 1.759 0.876 1.00 0.00 O ATOM 586 CB LEU A 38 -4.713 2.110 2.495 1.00 0.00 C ATOM 587 CG LEU A 38 -4.405 0.956 1.534 1.00 0.00 C ATOM 588 CD1 LEU A 38 -2.980 1.074 1.019 1.00 0.00 C ATOM 589 CD2 LEU A 38 -4.597 -0.389 2.218 1.00 0.00 C ATOM 0 H LEU A 38 -7.005 0.469 2.920 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.288 3.278 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.259 3.018 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.227 1.902 3.448 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.099 1.017 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.770 0.250 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.861 2.021 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.286 1.036 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.372 -1.190 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.927 -0.460 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.629 -0.482 2.555 1.00 0.00 H new ATOM 601 N LYS A 39 -6.797 3.873 0.971 1.00 0.00 N ATOM 602 CA LYS A 39 -7.379 4.268 -0.298 1.00 0.00 C ATOM 603 C LYS A 39 -6.276 4.615 -1.288 1.00 0.00 C ATOM 604 O LYS A 39 -5.389 5.416 -0.982 1.00 0.00 O ATOM 605 CB LYS A 39 -8.299 5.472 -0.097 1.00 0.00 C ATOM 606 CG LYS A 39 -8.886 6.021 -1.388 1.00 0.00 C ATOM 607 CD LYS A 39 -9.711 7.271 -1.134 1.00 0.00 C ATOM 608 CE LYS A 39 -10.206 7.886 -2.434 1.00 0.00 C ATOM 609 NZ LYS A 39 -11.009 9.115 -2.198 1.00 0.00 N ATOM 0 H LYS A 39 -6.299 4.621 1.453 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.964 3.438 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.114 5.187 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.741 6.264 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.081 6.250 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.510 5.261 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.562 7.024 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.110 8.000 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.353 8.126 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.810 7.156 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.327 9.502 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.837 8.882 -1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.426 9.822 -1.706 1.00 0.00 H new ATOM 623 N VAL A 40 -6.319 4.006 -2.463 1.00 0.00 N ATOM 624 CA VAL A 40 -5.352 4.314 -3.505 1.00 0.00 C ATOM 625 C VAL A 40 -5.698 5.654 -4.140 1.00 0.00 C ATOM 626 O VAL A 40 -6.713 5.784 -4.826 1.00 0.00 O ATOM 627 CB VAL A 40 -5.304 3.220 -4.591 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.251 3.549 -5.639 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.036 1.859 -3.966 1.00 0.00 C ATOM 0 H VAL A 40 -7.009 3.299 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.367 4.361 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.275 3.184 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.233 2.765 -6.396 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.492 4.502 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.273 3.616 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.006 1.099 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.080 1.881 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.831 1.621 -3.259 1.00 0.00 H new ATOM 639 N LEU A 41 -4.860 6.645 -3.892 1.00 0.00 N ATOM 640 CA LEU A 41 -5.132 8.003 -4.335 1.00 0.00 C ATOM 641 C LEU A 41 -4.784 8.175 -5.806 1.00 0.00 C ATOM 642 O LEU A 41 -5.658 8.452 -6.629 1.00 0.00 O ATOM 643 CB LEU A 41 -4.337 8.998 -3.487 1.00 0.00 C ATOM 644 CG LEU A 41 -4.619 8.935 -1.985 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.751 9.939 -1.248 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.094 9.193 -1.706 1.00 0.00 C ATOM 0 H LEU A 41 -3.982 6.535 -3.384 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.197 8.197 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.274 8.823 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.552 10.007 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.376 7.935 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.960 9.886 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.700 9.710 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.969 10.944 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.275 9.144 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.367 10.182 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.697 8.438 -2.210 1.00 0.00 H new ATOM 658 N ARG A 42 -3.509 7.988 -6.130 1.00 0.00 N ATOM 659 CA ARG A 42 -3.021 8.214 -7.482 1.00 0.00 C ATOM 660 C ARG A 42 -1.780 7.387 -7.759 1.00 0.00 C ATOM 661 O ARG A 42 -1.002 7.086 -6.852 1.00 0.00 O ATOM 662 CB ARG A 42 -2.672 9.691 -7.694 1.00 0.00 C ATOM 663 CG ARG A 42 -3.863 10.588 -7.983 1.00 0.00 C ATOM 664 CD ARG A 42 -3.431 12.038 -8.131 1.00 0.00 C ATOM 665 NE ARG A 42 -4.496 12.890 -8.657 1.00 0.00 N ATOM 666 CZ ARG A 42 -4.326 14.170 -8.994 1.00 0.00 C ATOM 667 NH1 ARG A 42 -3.167 14.772 -8.754 1.00 0.00 N ATOM 668 NH2 ARG A 42 -5.327 14.851 -9.540 1.00 0.00 N ATOM 0 H ARG A 42 -2.794 7.679 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.818 7.919 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.162 10.061 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.966 9.769 -8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.358 10.258 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.591 10.502 -7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.111 12.419 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.568 12.090 -8.794 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.424 12.482 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.406 14.256 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.037 15.750 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.225 14.396 -9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.197 15.829 -9.798 1.00 0.00 H new ATOM 682 N PHE A 43 -1.611 7.021 -9.013 1.00 0.00 N ATOM 683 CA PHE A 43 -0.367 6.447 -9.482 1.00 0.00 C ATOM 684 C PHE A 43 0.407 7.532 -10.206 1.00 0.00 C ATOM 685 O PHE A 43 -0.195 8.430 -10.805 1.00 0.00 O ATOM 686 CB PHE A 43 -0.616 5.281 -10.449 1.00 0.00 C ATOM 687 CG PHE A 43 -1.307 4.093 -9.840 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.658 4.137 -9.537 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.606 2.926 -9.588 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.295 3.040 -8.990 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.238 1.827 -9.039 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.584 1.884 -8.742 1.00 0.00 C ATOM 0 H PHE A 43 -2.328 7.112 -9.732 1.00 0.00 H new ATOM 0 HA PHE A 43 0.190 6.063 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.215 5.642 -11.285 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.341 4.957 -10.859 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.220 5.039 -9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.447 2.874 -9.823 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.348 3.087 -8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.679 0.924 -8.843 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.081 1.025 -8.316 1.00 0.00 H new ATOM 702 N ALA A 44 1.724 7.473 -10.151 1.00 0.00 N ATOM 703 CA ALA A 44 2.540 8.397 -10.920 1.00 0.00 C ATOM 704 C ALA A 44 2.299 8.168 -12.410 1.00 0.00 C ATOM 705 O ALA A 44 1.806 7.106 -12.794 1.00 0.00 O ATOM 706 CB ALA A 44 4.009 8.223 -10.572 1.00 0.00 C ATOM 0 H ALA A 44 2.249 6.803 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 44 2.259 9.421 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.607 8.922 -11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.157 8.419 -9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.318 7.203 -10.800 1.00 0.00 H new ATOM 712 N PRO A 45 2.646 9.142 -13.273 1.00 0.00 N ATOM 713 CA PRO A 45 2.398 9.055 -14.724 1.00 0.00 C ATOM 714 C PRO A 45 3.106 7.876 -15.407 1.00 0.00 C ATOM 715 O PRO A 45 3.037 7.727 -16.626 1.00 0.00 O ATOM 716 CB PRO A 45 2.941 10.381 -15.266 1.00 0.00 C ATOM 717 CG PRO A 45 3.869 10.882 -14.215 1.00 0.00 C ATOM 718 CD PRO A 45 3.289 10.421 -12.912 1.00 0.00 C ATOM 0 HA PRO A 45 1.340 8.886 -14.923 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.460 10.236 -16.213 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.135 11.091 -15.450 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.874 10.486 -14.359 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.947 11.969 -14.247 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.059 10.286 -12.152 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.570 11.137 -12.514 1.00 0.00 H new ATOM 726 N LEU A 46 3.748 7.025 -14.620 1.00 0.00 N ATOM 727 CA LEU A 46 4.499 5.895 -15.152 1.00 0.00 C ATOM 728 C LEU A 46 4.133 4.613 -14.404 1.00 0.00 C ATOM 729 O LEU A 46 4.807 3.593 -14.537 1.00 0.00 O ATOM 730 CB LEU A 46 6.003 6.162 -15.018 1.00 0.00 C ATOM 731 CG LEU A 46 6.507 7.441 -15.692 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.960 7.693 -15.327 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.349 7.346 -17.203 1.00 0.00 C ATOM 0 H LEU A 46 3.764 7.096 -13.603 1.00 0.00 H new ATOM 0 HA LEU A 46 4.246 5.771 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.253 6.208 -13.958 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.544 5.314 -15.437 1.00 0.00 H new ATOM 0 HG LEU A 46 5.908 8.279 -15.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.304 8.606 -15.814 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.050 7.802 -14.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.570 6.853 -15.659 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.712 8.264 -17.665 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.925 6.499 -17.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.297 7.207 -17.451 1.00 0.00 H new ATOM 745 N GLY A 47 3.061 4.679 -13.614 1.00 0.00 N ATOM 746 CA GLY A 47 2.598 3.512 -12.874 1.00 0.00 C ATOM 747 C GLY A 47 3.315 3.347 -11.546 1.00 0.00 C ATOM 748 O GLY A 47 2.879 2.588 -10.681 1.00 0.00 O ATOM 0 H GLY A 47 2.503 5.521 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.526 3.599 -12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.749 2.618 -13.479 1.00 0.00 H new ATOM 752 N ASP A 48 4.409 4.073 -11.396 1.00 0.00 N ATOM 753 CA ASP A 48 5.240 4.015 -10.203 1.00 0.00 C ATOM 754 C ASP A 48 5.877 5.375 -9.968 1.00 0.00 C ATOM 755 O ASP A 48 6.312 6.025 -10.920 1.00 0.00 O ATOM 756 CB ASP A 48 6.325 2.944 -10.375 1.00 0.00 C ATOM 757 CG ASP A 48 7.421 3.022 -9.326 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.245 2.455 -8.225 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.473 3.634 -9.604 1.00 0.00 O ATOM 0 H ASP A 48 4.749 4.725 -12.103 1.00 0.00 H new ATOM 0 HA ASP A 48 4.625 3.753 -9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.862 1.958 -10.333 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.771 3.045 -11.364 1.00 0.00 H new ATOM 764 N PRO A 49 5.928 5.843 -8.715 1.00 0.00 N ATOM 765 CA PRO A 49 5.396 5.130 -7.552 1.00 0.00 C ATOM 766 C PRO A 49 3.883 5.297 -7.392 1.00 0.00 C ATOM 767 O PRO A 49 3.201 5.814 -8.283 1.00 0.00 O ATOM 768 CB PRO A 49 6.123 5.783 -6.365 1.00 0.00 C ATOM 769 CG PRO A 49 7.062 6.791 -6.951 1.00 0.00 C ATOM 770 CD PRO A 49 6.539 7.107 -8.320 1.00 0.00 C ATOM 0 HA PRO A 49 5.556 4.055 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.413 6.260 -5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.666 5.038 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.104 7.689 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.076 6.393 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.815 7.921 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.336 7.405 -9.002 1.00 0.00 H new ATOM 778 N ILE A 50 3.373 4.853 -6.250 1.00 0.00 N ATOM 779 CA ILE A 50 1.949 4.930 -5.942 1.00 0.00 C ATOM 780 C ILE A 50 1.726 5.740 -4.667 1.00 0.00 C ATOM 781 O ILE A 50 2.481 5.611 -3.701 1.00 0.00 O ATOM 782 CB ILE A 50 1.345 3.520 -5.738 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.707 2.601 -6.905 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.168 3.602 -5.581 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.278 1.164 -6.699 1.00 0.00 C ATOM 0 H ILE A 50 3.934 4.429 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 50 1.458 5.414 -6.786 1.00 0.00 H new ATOM 0 HB ILE A 50 1.767 3.100 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.244 2.983 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.786 2.631 -7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.574 2.600 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.411 4.218 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.603 4.046 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.567 0.570 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.761 0.764 -5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.196 1.122 -6.575 1.00 0.00 H new ATOM 797 N GLU A 51 0.700 6.578 -4.675 1.00 0.00 N ATOM 798 CA GLU A 51 0.337 7.356 -3.502 1.00 0.00 C ATOM 799 C GLU A 51 -0.919 6.781 -2.862 1.00 0.00 C ATOM 800 O GLU A 51 -1.996 6.802 -3.461 1.00 0.00 O ATOM 801 CB GLU A 51 0.109 8.818 -3.881 1.00 0.00 C ATOM 802 CG GLU A 51 1.310 9.469 -4.544 1.00 0.00 C ATOM 803 CD GLU A 51 1.154 10.964 -4.672 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.373 11.409 -5.534 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.802 11.701 -3.900 1.00 0.00 O ATOM 0 H GLU A 51 0.102 6.736 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 51 1.156 7.306 -2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.746 8.881 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.150 9.381 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.206 9.248 -3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.455 9.035 -5.533 1.00 0.00 H new ATOM 812 N VAL A 52 -0.780 6.253 -1.655 1.00 0.00 N ATOM 813 CA VAL A 52 -1.907 5.652 -0.960 1.00 0.00 C ATOM 814 C VAL A 52 -2.168 6.348 0.369 1.00 0.00 C ATOM 815 O VAL A 52 -1.238 6.796 1.045 1.00 0.00 O ATOM 816 CB VAL A 52 -1.696 4.140 -0.716 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.697 3.376 -2.032 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.402 3.887 0.044 1.00 0.00 C ATOM 0 H VAL A 52 0.099 6.229 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.775 5.778 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.525 3.780 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.547 2.314 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.653 3.521 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.892 3.745 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.277 2.816 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.440 4.269 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.441 4.395 1.008 1.00 0.00 H new ATOM 828 N ASN A 53 -3.437 6.455 0.723 1.00 0.00 N ATOM 829 CA ASN A 53 -3.830 7.033 2.000 1.00 0.00 C ATOM 830 C ASN A 53 -4.192 5.920 2.972 1.00 0.00 C ATOM 831 O ASN A 53 -5.283 5.352 2.900 1.00 0.00 O ATOM 832 CB ASN A 53 -5.019 7.986 1.819 1.00 0.00 C ATOM 833 CG ASN A 53 -5.488 8.600 3.127 1.00 0.00 C ATOM 834 OD1 ASN A 53 -4.706 8.790 4.057 1.00 0.00 O ATOM 835 ND2 ASN A 53 -6.771 8.917 3.202 1.00 0.00 N ATOM 0 H ASN A 53 -4.217 6.148 0.142 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.993 7.605 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.738 8.782 1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.846 7.444 1.360 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.144 9.335 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.387 8.743 2.408 1.00 0.00 H new ATOM 842 N CYS A 54 -3.270 5.599 3.864 1.00 0.00 N ATOM 843 CA CYS A 54 -3.460 4.504 4.800 1.00 0.00 C ATOM 844 C CYS A 54 -3.595 5.032 6.220 1.00 0.00 C ATOM 845 O CYS A 54 -2.690 5.691 6.732 1.00 0.00 O ATOM 846 CB CYS A 54 -2.289 3.516 4.714 1.00 0.00 C ATOM 847 SG CYS A 54 -2.426 2.100 5.831 1.00 0.00 S ATOM 0 H CYS A 54 -2.378 6.084 3.960 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.379 3.982 4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.212 3.150 3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.363 4.048 4.933 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.392 1.327 5.681 1.00 0.00 H new ATOM 853 N ASN A 55 -4.743 4.757 6.841 1.00 0.00 N ATOM 854 CA ASN A 55 -4.997 5.142 8.234 1.00 0.00 C ATOM 855 C ASN A 55 -4.887 6.653 8.441 1.00 0.00 C ATOM 856 O ASN A 55 -4.578 7.119 9.541 1.00 0.00 O ATOM 857 CB ASN A 55 -4.035 4.409 9.181 1.00 0.00 C ATOM 858 CG ASN A 55 -4.470 2.982 9.469 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.238 2.735 10.400 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.983 2.031 8.686 1.00 0.00 N ATOM 0 H ASN A 55 -5.519 4.265 6.398 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.021 4.850 8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.037 4.399 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.965 4.960 10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.242 1.057 8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.349 2.272 7.924 1.00 0.00 H new ATOM 867 N GLY A 56 -5.160 7.416 7.392 1.00 0.00 N ATOM 868 CA GLY A 56 -5.126 8.864 7.498 1.00 0.00 C ATOM 869 C GLY A 56 -3.747 9.434 7.224 1.00 0.00 C ATOM 870 O GLY A 56 -3.460 10.584 7.564 1.00 0.00 O ATOM 0 H GLY A 56 -5.405 7.060 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.839 9.293 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.446 9.160 8.497 1.00 0.00 H new ATOM 874 N MET A 57 -2.893 8.623 6.621 1.00 0.00 N ATOM 875 CA MET A 57 -1.552 9.046 6.256 1.00 0.00 C ATOM 876 C MET A 57 -1.335 8.846 4.766 1.00 0.00 C ATOM 877 O MET A 57 -1.670 7.797 4.218 1.00 0.00 O ATOM 878 CB MET A 57 -0.507 8.275 7.069 1.00 0.00 C ATOM 879 CG MET A 57 -0.449 8.702 8.529 1.00 0.00 C ATOM 880 SD MET A 57 0.591 7.632 9.543 1.00 0.00 S ATOM 881 CE MET A 57 -0.361 6.114 9.510 1.00 0.00 C ATOM 0 H MET A 57 -3.109 7.658 6.372 1.00 0.00 H new ATOM 0 HA MET A 57 -1.440 10.106 6.484 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.730 7.209 7.017 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.474 8.418 6.616 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.073 9.724 8.587 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.459 8.710 8.939 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.074 5.397 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.390 6.324 9.801 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.346 5.697 8.503 1.00 0.00 H new ATOM 891 N LEU A 58 -0.805 9.864 4.111 1.00 0.00 N ATOM 892 CA LEU A 58 -0.547 9.796 2.685 1.00 0.00 C ATOM 893 C LEU A 58 0.894 9.399 2.432 1.00 0.00 C ATOM 894 O LEU A 58 1.809 10.214 2.545 1.00 0.00 O ATOM 895 CB LEU A 58 -0.849 11.131 2.000 1.00 0.00 C ATOM 896 CG LEU A 58 -2.321 11.542 1.975 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.764 12.098 3.321 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.557 12.550 0.871 1.00 0.00 C ATOM 0 H LEU A 58 -0.545 10.749 4.546 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.209 9.040 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.280 11.914 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.486 11.082 0.973 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.922 10.655 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.815 12.381 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.630 11.338 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.164 12.974 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.608 12.838 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.941 13.432 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.292 12.107 -0.089 1.00 0.00 H new ATOM 910 N LEU A 59 1.090 8.143 2.088 1.00 0.00 N ATOM 911 CA LEU A 59 2.427 7.621 1.867 1.00 0.00 C ATOM 912 C LEU A 59 2.619 7.207 0.418 1.00 0.00 C ATOM 913 O LEU A 59 1.822 6.449 -0.141 1.00 0.00 O ATOM 914 CB LEU A 59 2.742 6.445 2.808 1.00 0.00 C ATOM 915 CG LEU A 59 1.560 5.557 3.215 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.043 4.156 3.547 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.844 6.152 4.422 1.00 0.00 C ATOM 0 H LEU A 59 0.342 7.463 1.955 1.00 0.00 H new ATOM 0 HA LEU A 59 3.127 8.425 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.492 5.816 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.195 6.846 3.715 1.00 0.00 H new ATOM 0 HG LEU A 59 0.864 5.504 2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.193 3.537 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.529 3.722 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.754 4.202 4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.007 5.512 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.539 6.225 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.473 7.146 4.171 1.00 0.00 H new ATOM 929 N THR A 60 3.667 7.733 -0.188 1.00 0.00 N ATOM 930 CA THR A 60 4.017 7.398 -1.552 1.00 0.00 C ATOM 931 C THR A 60 5.164 6.396 -1.556 1.00 0.00 C ATOM 932 O THR A 60 6.235 6.667 -1.011 1.00 0.00 O ATOM 933 CB THR A 60 4.435 8.655 -2.340 1.00 0.00 C ATOM 934 OG1 THR A 60 3.425 9.666 -2.207 1.00 0.00 O ATOM 935 CG2 THR A 60 4.658 8.330 -3.813 1.00 0.00 C ATOM 0 H THR A 60 4.297 8.403 0.252 1.00 0.00 H new ATOM 0 HA THR A 60 3.141 6.962 -2.032 1.00 0.00 H new ATOM 0 HB THR A 60 5.375 9.023 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.580 9.251 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.952 9.235 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.446 7.583 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.736 7.940 -4.243 1.00 0.00 H new ATOM 943 N MET A 61 4.938 5.241 -2.153 1.00 0.00 N ATOM 944 CA MET A 61 5.947 4.196 -2.176 1.00 0.00 C ATOM 945 C MET A 61 5.985 3.520 -3.537 1.00 0.00 C ATOM 946 O MET A 61 5.099 3.730 -4.367 1.00 0.00 O ATOM 947 CB MET A 61 5.678 3.159 -1.087 1.00 0.00 C ATOM 948 CG MET A 61 4.353 2.442 -1.254 1.00 0.00 C ATOM 949 SD MET A 61 4.129 1.120 -0.059 1.00 0.00 S ATOM 950 CE MET A 61 2.569 0.461 -0.620 1.00 0.00 C ATOM 0 H MET A 61 4.067 5.002 -2.628 1.00 0.00 H new ATOM 0 HA MET A 61 6.915 4.659 -1.985 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.483 2.424 -1.088 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.697 3.651 -0.114 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.540 3.161 -1.152 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.291 2.031 -2.262 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.041 0.011 0.221 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.965 1.265 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.747 -0.296 -1.383 1.00 0.00 H new ATOM 960 N ARG A 62 7.000 2.694 -3.752 1.00 0.00 N ATOM 961 CA ARG A 62 7.224 2.083 -5.057 1.00 0.00 C ATOM 962 C ARG A 62 6.227 0.960 -5.311 1.00 0.00 C ATOM 963 O ARG A 62 5.814 0.252 -4.387 1.00 0.00 O ATOM 964 CB ARG A 62 8.652 1.547 -5.165 1.00 0.00 C ATOM 965 CG ARG A 62 9.718 2.535 -4.717 1.00 0.00 C ATOM 966 CD ARG A 62 9.540 3.907 -5.354 1.00 0.00 C ATOM 967 NE ARG A 62 9.725 3.890 -6.803 1.00 0.00 N ATOM 968 CZ ARG A 62 10.806 4.373 -7.413 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.836 4.818 -6.700 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.858 4.402 -8.737 1.00 0.00 N ATOM 0 H ARG A 62 7.682 2.431 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 62 7.079 2.853 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.736 0.641 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.846 1.263 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.685 2.634 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.703 2.144 -4.972 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.542 4.282 -5.125 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.252 4.603 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 62 8.986 3.486 -7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.801 4.790 -5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.662 5.187 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.071 4.055 -9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.685 4.771 -9.207 1.00 0.00 H new ATOM 984 N ARG A 63 5.857 0.797 -6.574 1.00 0.00 N ATOM 985 CA ARG A 63 4.856 -0.186 -6.966 1.00 0.00 C ATOM 986 C ARG A 63 5.335 -1.614 -6.709 1.00 0.00 C ATOM 987 O ARG A 63 4.536 -2.501 -6.420 1.00 0.00 O ATOM 988 CB ARG A 63 4.489 -0.016 -8.443 1.00 0.00 C ATOM 989 CG ARG A 63 3.292 -0.852 -8.850 1.00 0.00 C ATOM 990 CD ARG A 63 2.909 -0.651 -10.302 1.00 0.00 C ATOM 991 NE ARG A 63 1.633 -1.300 -10.600 1.00 0.00 N ATOM 992 CZ ARG A 63 1.207 -1.595 -11.824 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.003 -1.409 -12.871 1.00 0.00 N ATOM 994 NH2 ARG A 63 -0.004 -2.117 -11.996 1.00 0.00 N ATOM 0 H ARG A 63 6.239 1.338 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 63 3.971 -0.013 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.277 1.035 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.345 -0.291 -9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.514 -1.905 -8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.443 -0.598 -8.215 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.839 0.415 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.688 -1.058 -10.947 1.00 0.00 H new ATOM 0 HE ARG A 63 1.029 -1.543 -9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.944 -1.039 -12.737 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.673 -1.636 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.604 -2.290 -11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.333 -2.344 -12.934 1.00 0.00 H new ATOM 1008 N ASN A 64 6.641 -1.826 -6.800 1.00 0.00 N ATOM 1009 CA ASN A 64 7.210 -3.162 -6.624 1.00 0.00 C ATOM 1010 C ASN A 64 6.902 -3.740 -5.242 1.00 0.00 C ATOM 1011 O ASN A 64 6.590 -4.925 -5.121 1.00 0.00 O ATOM 1012 CB ASN A 64 8.723 -3.164 -6.892 1.00 0.00 C ATOM 1013 CG ASN A 64 9.473 -2.047 -6.189 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.660 -0.967 -6.750 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.915 -2.288 -4.967 1.00 0.00 N ATOM 0 H ASN A 64 7.326 -1.096 -6.994 1.00 0.00 H new ATOM 0 HA ASN A 64 6.733 -3.808 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.137 -4.122 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.892 -3.082 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.429 -1.568 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.742 -3.194 -4.532 1.00 0.00 H new ATOM 1022 N GLU A 65 6.976 -2.916 -4.200 1.00 0.00 N ATOM 1023 CA GLU A 65 6.658 -3.383 -2.852 1.00 0.00 C ATOM 1024 C GLU A 65 5.144 -3.518 -2.678 1.00 0.00 C ATOM 1025 O GLU A 65 4.667 -4.381 -1.945 1.00 0.00 O ATOM 1026 CB GLU A 65 7.253 -2.456 -1.791 1.00 0.00 C ATOM 1027 CG GLU A 65 8.772 -2.378 -1.847 1.00 0.00 C ATOM 1028 CD GLU A 65 9.437 -3.744 -1.886 1.00 0.00 C ATOM 1029 OE1 GLU A 65 9.703 -4.327 -0.814 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.705 -4.245 -3.001 1.00 0.00 O ATOM 0 H GLU A 65 7.249 -1.935 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 65 7.108 -4.367 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.839 -1.456 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.950 -2.803 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.069 -1.811 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.134 -1.829 -0.978 1.00 0.00 H new ATOM 1037 N ALA A 66 4.399 -2.667 -3.382 1.00 0.00 N ATOM 1038 CA ALA A 66 2.935 -2.704 -3.363 1.00 0.00 C ATOM 1039 C ALA A 66 2.407 -4.033 -3.897 1.00 0.00 C ATOM 1040 O ALA A 66 1.306 -4.459 -3.549 1.00 0.00 O ATOM 1041 CB ALA A 66 2.379 -1.554 -4.188 1.00 0.00 C ATOM 0 H ALA A 66 4.789 -1.937 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 66 2.606 -2.602 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.290 -1.587 -4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.720 -0.607 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.728 -1.642 -5.217 1.00 0.00 H new ATOM 1047 N GLU A 67 3.190 -4.671 -4.756 1.00 0.00 N ATOM 1048 CA GLU A 67 2.823 -5.961 -5.331 1.00 0.00 C ATOM 1049 C GLU A 67 2.735 -7.045 -4.266 1.00 0.00 C ATOM 1050 O GLU A 67 1.792 -7.838 -4.253 1.00 0.00 O ATOM 1051 CB GLU A 67 3.830 -6.361 -6.403 1.00 0.00 C ATOM 1052 CG GLU A 67 3.450 -5.877 -7.787 1.00 0.00 C ATOM 1053 CD GLU A 67 2.240 -6.610 -8.335 1.00 0.00 C ATOM 1054 OE1 GLU A 67 2.214 -7.862 -8.267 1.00 0.00 O ATOM 1055 OE2 GLU A 67 1.311 -5.942 -8.827 1.00 0.00 O ATOM 0 H GLU A 67 4.091 -4.314 -5.073 1.00 0.00 H new ATOM 0 HA GLU A 67 1.836 -5.856 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.809 -5.960 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.924 -7.447 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.241 -4.808 -7.752 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.294 -6.015 -8.463 1.00 0.00 H new ATOM 1062 N GLY A 68 3.718 -7.079 -3.377 1.00 0.00 N ATOM 1063 CA GLY A 68 3.727 -8.075 -2.325 1.00 0.00 C ATOM 1064 C GLY A 68 2.584 -7.886 -1.349 1.00 0.00 C ATOM 1065 O GLY A 68 2.125 -8.836 -0.714 1.00 0.00 O ATOM 0 H GLY A 68 4.509 -6.435 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.664 -9.069 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.674 -8.025 -1.787 1.00 0.00 H new ATOM 1069 N ILE A 69 2.118 -6.659 -1.230 1.00 0.00 N ATOM 1070 CA ILE A 69 1.028 -6.351 -0.327 1.00 0.00 C ATOM 1071 C ILE A 69 -0.294 -6.843 -0.903 1.00 0.00 C ATOM 1072 O ILE A 69 -0.745 -6.379 -1.949 1.00 0.00 O ATOM 1073 CB ILE A 69 0.949 -4.839 -0.045 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.316 -4.318 0.407 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.102 -4.553 1.016 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.363 -2.818 0.589 1.00 0.00 C ATOM 0 H ILE A 69 2.478 -5.858 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 69 1.220 -6.865 0.615 1.00 0.00 H new ATOM 0 HB ILE A 69 0.662 -4.325 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.585 -4.798 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.067 -4.610 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.146 -3.480 1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.075 -4.901 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.160 -5.073 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.362 -2.522 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.125 -2.329 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.636 -2.520 1.345 1.00 0.00 H new ATOM 1088 N THR A 70 -0.891 -7.801 -0.221 1.00 0.00 N ATOM 1089 CA THR A 70 -2.156 -8.375 -0.633 1.00 0.00 C ATOM 1090 C THR A 70 -3.298 -7.666 0.087 1.00 0.00 C ATOM 1091 O THR A 70 -3.236 -7.447 1.301 1.00 0.00 O ATOM 1092 CB THR A 70 -2.190 -9.881 -0.319 1.00 0.00 C ATOM 1093 OG1 THR A 70 -1.004 -10.501 -0.836 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.417 -10.551 -0.925 1.00 0.00 C ATOM 0 H THR A 70 -0.511 -8.204 0.636 1.00 0.00 H new ATOM 0 HA THR A 70 -2.270 -8.243 -1.709 1.00 0.00 H new ATOM 0 HB THR A 70 -2.239 -10.001 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.022 -11.460 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.408 -11.614 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.319 -10.094 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.403 -10.425 -2.008 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.330 -7.296 -0.658 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.418 -6.504 -0.100 1.00 0.00 C ATOM 1104 C VAL A 71 -6.784 -7.112 -0.396 1.00 0.00 C ATOM 1105 O VAL A 71 -6.921 -8.033 -1.207 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.394 -5.055 -0.635 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.130 -4.336 -0.187 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.510 -5.044 -2.150 1.00 0.00 C ATOM 0 H VAL A 71 -4.437 -7.530 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.262 -6.499 0.979 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.251 -4.523 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.134 -3.317 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.093 -4.309 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.256 -4.866 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.491 -4.015 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.675 -5.594 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.447 -5.515 -2.447 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.788 -6.587 0.289 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.172 -6.963 0.060 1.00 0.00 C ATOM 1120 C HIS A 72 -10.027 -5.702 -0.023 1.00 0.00 C ATOM 1121 O HIS A 72 -10.069 -4.912 0.920 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.665 -7.881 1.186 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.084 -8.340 1.023 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.399 -9.450 0.275 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.223 -7.807 1.526 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.716 -9.564 0.338 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.258 -8.590 1.085 1.00 0.00 N ATOM 0 H HIS A 72 -7.665 -5.887 1.021 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.252 -7.510 -0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.015 -8.755 1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.571 -7.356 2.136 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.301 -6.932 2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.283 -10.343 -0.150 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.249 -8.458 1.286 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.691 -5.511 -1.157 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.470 -4.300 -1.399 1.00 0.00 C ATOM 1137 C ILE A 73 -12.676 -4.218 -0.472 1.00 0.00 C ATOM 1138 O ILE A 73 -13.486 -5.144 -0.397 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.944 -4.218 -2.865 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.736 -4.191 -3.806 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.820 -2.991 -3.087 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.108 -4.099 -5.267 1.00 0.00 C ATOM 0 H ILE A 73 -10.706 -6.181 -1.926 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.810 -3.457 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.543 -5.102 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.103 -3.342 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.142 -5.091 -3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.141 -2.957 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.695 -3.047 -2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.252 -2.091 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.202 -4.084 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.715 -4.961 -5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.676 -3.185 -5.441 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.793 -3.096 0.222 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.884 -2.887 1.158 1.00 0.00 C ATOM 1156 C LEU A 74 -14.980 -2.047 0.522 1.00 0.00 C ATOM 1157 O LEU A 74 -15.234 -0.911 0.930 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.381 -2.229 2.442 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.410 -3.080 3.256 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.041 -2.374 4.551 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -13.021 -4.446 3.539 1.00 0.00 C ATOM 0 H LEU A 74 -12.142 -2.314 0.153 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.301 -3.861 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.892 -1.289 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.239 -1.982 3.068 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.498 -3.223 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.348 -2.995 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.569 -1.418 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.941 -2.202 5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.320 -5.045 4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.946 -4.321 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.235 -4.951 2.597 1.00 0.00 H new ATOM 1173 N ALA A 75 -15.604 -2.620 -0.495 1.00 0.00 N ATOM 1174 CA ALA A 75 -16.691 -1.969 -1.217 1.00 0.00 C ATOM 1175 C ALA A 75 -17.291 -2.923 -2.241 1.00 0.00 C ATOM 1176 O ALA A 75 -16.746 -3.096 -3.337 1.00 0.00 O ATOM 1177 CB ALA A 75 -16.209 -0.698 -1.904 1.00 0.00 C ATOM 0 H ALA A 75 -15.373 -3.550 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.459 -1.695 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.040 -0.234 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.823 -0.005 -1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.419 -0.945 -2.613 1.00 0.00 H new ATOM 1183 N GLY A 76 -18.392 -3.561 -1.875 1.00 0.00 N ATOM 1184 CA GLY A 76 -19.044 -4.479 -2.784 1.00 0.00 C ATOM 1185 C GLY A 76 -20.433 -4.862 -2.321 1.00 0.00 C ATOM 1186 O GLY A 76 -20.598 -5.416 -1.235 1.00 0.00 O ATOM 0 H GLY A 76 -18.845 -3.460 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -19.106 -4.024 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -18.437 -5.379 -2.885 1.00 0.00 H new ATOM 1190 N ASP A 77 -21.430 -4.565 -3.141 1.00 0.00 N ATOM 1191 CA ASP A 77 -22.808 -4.918 -2.825 1.00 0.00 C ATOM 1192 C ASP A 77 -23.112 -6.317 -3.332 1.00 0.00 C ATOM 1193 O ASP A 77 -22.385 -6.835 -4.183 1.00 0.00 O ATOM 1194 CB ASP A 77 -23.794 -3.932 -3.464 1.00 0.00 C ATOM 1195 CG ASP A 77 -23.693 -2.528 -2.902 1.00 0.00 C ATOM 1196 OD1 ASP A 77 -24.107 -2.314 -1.746 1.00 0.00 O ATOM 1197 OD2 ASP A 77 -23.215 -1.627 -3.623 1.00 0.00 O ATOM 0 H ASP A 77 -21.312 -4.080 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.923 -4.878 -1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.617 -3.898 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.810 -4.301 -3.320 1.00 0.00 H new ATOM 1202 N GLU A 78 -24.184 -6.914 -2.811 1.00 0.00 N ATOM 1203 CA GLU A 78 -24.651 -8.224 -3.262 1.00 0.00 C ATOM 1204 C GLU A 78 -23.629 -9.317 -2.953 1.00 0.00 C ATOM 1205 O GLU A 78 -22.699 -9.560 -3.726 1.00 0.00 O ATOM 1206 CB GLU A 78 -24.958 -8.188 -4.761 1.00 0.00 C ATOM 1207 CG GLU A 78 -25.539 -9.476 -5.312 1.00 0.00 C ATOM 1208 CD GLU A 78 -25.743 -9.405 -6.810 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -26.742 -8.796 -7.251 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -24.894 -9.940 -7.553 1.00 0.00 O ATOM 0 H GLU A 78 -24.751 -6.505 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 78 -25.565 -8.461 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -25.657 -7.375 -4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.040 -7.957 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -24.873 -10.306 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -26.492 -9.683 -4.825 1.00 0.00 H new ATOM 1217 N GLY A 79 -23.794 -9.956 -1.805 1.00 0.00 N ATOM 1218 CA GLY A 79 -22.922 -11.054 -1.443 1.00 0.00 C ATOM 1219 C GLY A 79 -22.893 -11.322 0.046 1.00 0.00 C ATOM 1220 O GLY A 79 -22.992 -12.474 0.472 1.00 0.00 O ATOM 0 H GLY A 79 -24.515 -9.735 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -23.248 -11.955 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.911 -10.836 -1.787 1.00 0.00 H new ATOM 1224 N HIS A 80 -22.765 -10.257 0.833 1.00 0.00 N ATOM 1225 CA HIS A 80 -22.646 -10.365 2.289 1.00 0.00 C ATOM 1226 C HIS A 80 -21.366 -11.112 2.658 1.00 0.00 C ATOM 1227 O HIS A 80 -21.372 -12.330 2.844 1.00 0.00 O ATOM 1228 CB HIS A 80 -23.862 -11.065 2.915 1.00 0.00 C ATOM 1229 CG HIS A 80 -25.151 -10.317 2.764 1.00 0.00 C ATOM 1230 ND1 HIS A 80 -25.678 -9.581 3.799 1.00 0.00 N ATOM 1231 CD2 HIS A 80 -25.985 -10.240 1.699 1.00 0.00 C ATOM 1232 CE1 HIS A 80 -26.815 -9.075 3.343 1.00 0.00 C ATOM 1233 NE2 HIS A 80 -27.039 -9.449 2.077 1.00 0.00 N ATOM 0 H HIS A 80 -22.741 -9.299 0.484 1.00 0.00 H new ATOM 0 HA HIS A 80 -22.606 -9.352 2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -23.972 -12.050 2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -23.669 -11.222 3.976 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -25.846 -10.711 0.737 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -27.475 -8.443 3.918 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -27.842 -9.194 1.502 1.00 0.00 H new ATOM 1241 N PRO A 81 -20.243 -10.386 2.739 1.00 0.00 N ATOM 1242 CA PRO A 81 -18.926 -10.979 2.984 1.00 0.00 C ATOM 1243 C PRO A 81 -18.813 -11.603 4.371 1.00 0.00 C ATOM 1244 O PRO A 81 -19.417 -11.122 5.334 1.00 0.00 O ATOM 1245 CB PRO A 81 -17.955 -9.795 2.855 1.00 0.00 C ATOM 1246 CG PRO A 81 -18.739 -8.709 2.194 1.00 0.00 C ATOM 1247 CD PRO A 81 -20.165 -8.924 2.604 1.00 0.00 C ATOM 0 HA PRO A 81 -18.721 -11.791 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.591 -9.478 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.082 -10.066 2.262 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -18.386 -7.726 2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -18.633 -8.755 1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.398 -8.417 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -20.863 -8.548 1.856 1.00 0.00 H new ATOM 1255 N HIS A 82 -18.043 -12.676 4.466 1.00 0.00 N ATOM 1256 CA HIS A 82 -17.779 -13.319 5.741 1.00 0.00 C ATOM 1257 C HIS A 82 -16.539 -12.711 6.378 1.00 0.00 C ATOM 1258 O HIS A 82 -15.409 -13.002 5.974 1.00 0.00 O ATOM 1259 CB HIS A 82 -17.597 -14.833 5.572 1.00 0.00 C ATOM 1260 CG HIS A 82 -18.855 -15.562 5.207 1.00 0.00 C ATOM 1261 ND1 HIS A 82 -18.827 -16.860 4.759 1.00 0.00 N ATOM 1262 CD2 HIS A 82 -20.141 -15.139 5.255 1.00 0.00 C ATOM 1263 CE1 HIS A 82 -20.088 -17.199 4.549 1.00 0.00 C ATOM 1264 NE2 HIS A 82 -20.920 -16.188 4.836 1.00 0.00 N ATOM 0 H HIS A 82 -17.588 -13.121 3.669 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.638 -13.154 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -16.848 -15.015 4.802 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -17.206 -15.247 6.501 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.487 -14.164 5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.407 -18.167 4.192 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.937 -16.197 4.758 1.00 0.00 H new ATOM 1272 N GLY A 83 -16.761 -11.842 7.353 1.00 0.00 N ATOM 1273 CA GLY A 83 -15.662 -11.196 8.037 1.00 0.00 C ATOM 1274 C GLY A 83 -15.041 -12.086 9.093 1.00 0.00 C ATOM 1275 O GLY A 83 -15.275 -13.298 9.113 1.00 0.00 O ATOM 0 H GLY A 83 -17.688 -11.572 7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.901 -10.912 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -16.017 -10.276 8.502 1.00 0.00 H new ATOM 1279 N TRP A 84 -14.256 -11.489 9.974 1.00 0.00 N ATOM 1280 CA TRP A 84 -13.581 -12.239 11.019 1.00 0.00 C ATOM 1281 C TRP A 84 -13.473 -11.389 12.281 1.00 0.00 C ATOM 1282 O TRP A 84 -13.286 -10.175 12.200 1.00 0.00 O ATOM 1283 CB TRP A 84 -12.187 -12.651 10.537 1.00 0.00 C ATOM 1284 CG TRP A 84 -11.880 -14.103 10.746 1.00 0.00 C ATOM 1285 CD1 TRP A 84 -12.498 -15.160 10.147 1.00 0.00 C ATOM 1286 CD2 TRP A 84 -10.870 -14.657 11.597 1.00 0.00 C ATOM 1287 NE1 TRP A 84 -11.940 -16.338 10.576 1.00 0.00 N ATOM 1288 CE2 TRP A 84 -10.938 -16.057 11.467 1.00 0.00 C ATOM 1289 CE3 TRP A 84 -9.918 -14.108 12.457 1.00 0.00 C ATOM 1290 CZ2 TRP A 84 -10.090 -16.914 12.163 1.00 0.00 C ATOM 1291 CZ3 TRP A 84 -9.076 -14.958 13.147 1.00 0.00 C ATOM 1292 CH2 TRP A 84 -9.167 -16.348 12.997 1.00 0.00 C ATOM 0 H TRP A 84 -14.070 -10.486 9.986 1.00 0.00 H new ATOM 0 HA TRP A 84 -14.156 -13.136 11.249 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -12.096 -12.419 9.476 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -11.440 -12.052 11.059 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -13.309 -15.082 9.438 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -12.225 -17.271 10.280 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -9.841 -13.038 12.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -10.159 -17.986 12.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -8.334 -14.544 13.814 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -8.494 -16.985 13.552 1.00 0.00 H new ATOM 1303 N PRO A 85 -13.595 -12.013 13.463 1.00 0.00 N ATOM 1304 CA PRO A 85 -13.465 -11.309 14.743 1.00 0.00 C ATOM 1305 C PRO A 85 -12.043 -10.804 14.976 1.00 0.00 C ATOM 1306 O PRO A 85 -11.831 -9.802 15.661 1.00 0.00 O ATOM 1307 CB PRO A 85 -13.842 -12.368 15.783 1.00 0.00 C ATOM 1308 CG PRO A 85 -13.628 -13.678 15.103 1.00 0.00 C ATOM 1309 CD PRO A 85 -13.890 -13.445 13.642 1.00 0.00 C ATOM 0 HA PRO A 85 -14.095 -10.421 14.786 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -13.222 -12.282 16.675 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.878 -12.255 16.102 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.611 -14.037 15.263 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -14.301 -14.437 15.502 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.251 -14.068 13.016 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.921 -13.678 13.377 1.00 0.00 H new ATOM 1317 N GLY A 86 -11.077 -11.499 14.392 1.00 0.00 N ATOM 1318 CA GLY A 86 -9.692 -11.090 14.502 1.00 0.00 C ATOM 1319 C GLY A 86 -9.032 -11.595 15.770 1.00 0.00 C ATOM 1320 O GLY A 86 -9.470 -12.589 16.355 1.00 0.00 O ATOM 0 H GLY A 86 -11.230 -12.344 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.139 -11.458 13.638 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.636 -10.002 14.476 1.00 0.00 H new ATOM 1324 N PHE A 87 -7.979 -10.911 16.193 1.00 0.00 N ATOM 1325 CA PHE A 87 -7.252 -11.286 17.398 1.00 0.00 C ATOM 1326 C PHE A 87 -7.068 -10.081 18.307 1.00 0.00 C ATOM 1327 O PHE A 87 -7.183 -8.936 17.868 1.00 0.00 O ATOM 1328 CB PHE A 87 -5.883 -11.880 17.050 1.00 0.00 C ATOM 1329 CG PHE A 87 -5.952 -13.192 16.322 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -6.165 -14.371 17.018 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -5.796 -13.247 14.947 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -6.222 -15.581 16.354 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -5.854 -14.453 14.278 1.00 0.00 C ATOM 1334 CZ PHE A 87 -6.066 -15.623 14.983 1.00 0.00 C ATOM 0 H PHE A 87 -7.607 -10.089 15.717 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.840 -12.042 17.919 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.334 -11.165 16.437 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.313 -12.016 17.969 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.288 -14.344 18.091 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.627 -12.336 14.392 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.389 -16.494 16.907 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.734 -14.482 13.205 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.110 -16.568 14.462 1.00 0.00 H new ATOM 1344 N ARG A 88 -6.784 -10.348 19.569 1.00 0.00 N ATOM 1345 CA ARG A 88 -6.563 -9.295 20.546 1.00 0.00 C ATOM 1346 C ARG A 88 -5.171 -9.429 21.145 1.00 0.00 C ATOM 1347 O ARG A 88 -4.777 -10.511 21.582 1.00 0.00 O ATOM 1348 CB ARG A 88 -7.625 -9.365 21.650 1.00 0.00 C ATOM 1349 CG ARG A 88 -7.532 -8.251 22.690 1.00 0.00 C ATOM 1350 CD ARG A 88 -7.655 -6.877 22.052 1.00 0.00 C ATOM 1351 NE ARG A 88 -8.801 -6.803 21.146 1.00 0.00 N ATOM 1352 CZ ARG A 88 -9.179 -5.700 20.502 1.00 0.00 C ATOM 1353 NH1 ARG A 88 -8.557 -4.545 20.715 1.00 0.00 N ATOM 1354 NH2 ARG A 88 -10.193 -5.754 19.651 1.00 0.00 N ATOM 0 H ARG A 88 -6.700 -11.293 19.944 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.642 -8.328 20.049 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.612 -9.333 21.189 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.541 -10.326 22.157 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.319 -8.379 23.433 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.581 -8.324 23.218 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.757 -6.122 22.831 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -6.742 -6.647 21.503 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.347 -7.652 20.998 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.782 -4.497 21.377 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.854 -3.706 20.217 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.679 -6.637 19.492 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.488 -4.913 19.155 1.00 0.00 H new ATOM 1368 N ARG A 89 -4.421 -8.334 21.140 1.00 0.00 N ATOM 1369 CA ARG A 89 -3.093 -8.323 21.735 1.00 0.00 C ATOM 1370 C ARG A 89 -3.195 -8.635 23.220 1.00 0.00 C ATOM 1371 O ARG A 89 -4.044 -8.085 23.922 1.00 0.00 O ATOM 1372 CB ARG A 89 -2.414 -6.966 21.534 1.00 0.00 C ATOM 1373 CG ARG A 89 -2.272 -6.560 20.075 1.00 0.00 C ATOM 1374 CD ARG A 89 -1.518 -5.246 19.936 1.00 0.00 C ATOM 1375 NE ARG A 89 -1.492 -4.772 18.553 1.00 0.00 N ATOM 1376 CZ ARG A 89 -0.576 -3.933 18.069 1.00 0.00 C ATOM 1377 NH1 ARG A 89 0.438 -3.540 18.831 1.00 0.00 N ATOM 1378 NH2 ARG A 89 -0.669 -3.510 16.815 1.00 0.00 N ATOM 0 H ARG A 89 -4.710 -7.445 20.731 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.488 -9.084 21.242 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.987 -6.202 22.060 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.425 -6.994 21.991 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.747 -7.342 19.527 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.260 -6.464 19.625 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.985 -4.491 20.569 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.497 -5.375 20.294 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.219 -5.104 17.920 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.518 -3.880 19.789 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.137 -2.898 18.458 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.439 -3.827 16.226 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.029 -2.868 16.440 1.00 0.00 H new ATOM 1392 N ARG A 90 -2.350 -9.534 23.692 1.00 0.00 N ATOM 1393 CA ARG A 90 -2.370 -9.926 25.089 1.00 0.00 C ATOM 1394 C ARG A 90 -1.595 -8.921 25.924 1.00 0.00 C ATOM 1395 O ARG A 90 -0.366 -8.975 26.002 1.00 0.00 O ATOM 1396 CB ARG A 90 -1.792 -11.330 25.264 1.00 0.00 C ATOM 1397 CG ARG A 90 -2.510 -12.378 24.433 1.00 0.00 C ATOM 1398 CD ARG A 90 -1.942 -13.764 24.670 1.00 0.00 C ATOM 1399 NE ARG A 90 -2.531 -14.750 23.768 1.00 0.00 N ATOM 1400 CZ ARG A 90 -2.407 -16.065 23.914 1.00 0.00 C ATOM 1401 NH1 ARG A 90 -1.765 -16.564 24.963 1.00 0.00 N ATOM 1402 NH2 ARG A 90 -2.942 -16.883 23.016 1.00 0.00 N ATOM 0 H ARG A 90 -1.642 -10.006 23.129 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.405 -9.941 25.431 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.737 -11.319 24.991 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.846 -11.610 26.316 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.572 -12.373 24.678 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.426 -12.125 23.376 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.861 -13.743 24.531 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.125 -14.061 25.703 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.073 -14.407 22.975 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.364 -15.937 25.661 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.672 -17.574 25.071 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.447 -16.502 22.216 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.848 -17.893 23.126 1.00 0.00 H new ATOM 1416 N HIS A 91 -2.317 -7.983 26.513 1.00 0.00 N ATOM 1417 CA HIS A 91 -1.707 -6.968 27.356 1.00 0.00 C ATOM 1418 C HIS A 91 -1.306 -7.584 28.688 1.00 0.00 C ATOM 1419 O HIS A 91 -2.082 -8.327 29.292 1.00 0.00 O ATOM 1420 CB HIS A 91 -2.678 -5.806 27.596 1.00 0.00 C ATOM 1421 CG HIS A 91 -3.268 -5.236 26.341 1.00 0.00 C ATOM 1422 ND1 HIS A 91 -4.601 -5.392 26.051 1.00 0.00 N ATOM 1423 CD2 HIS A 91 -2.681 -4.513 25.355 1.00 0.00 C ATOM 1424 CE1 HIS A 91 -4.796 -4.767 24.902 1.00 0.00 C ATOM 1425 NE2 HIS A 91 -3.664 -4.219 24.443 1.00 0.00 N ATOM 0 H HIS A 91 -3.330 -7.903 26.423 1.00 0.00 H new ATOM 0 HA HIS A 91 -0.823 -6.581 26.849 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -3.486 -6.149 28.242 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -2.155 -5.014 28.132 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.642 -4.225 25.298 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.749 -4.706 24.397 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.553 -3.685 23.581 1.00 0.00 H new ATOM 1433 N ARG A 92 -0.097 -7.287 29.136 1.00 0.00 N ATOM 1434 CA ARG A 92 0.397 -7.839 30.387 1.00 0.00 C ATOM 1435 C ARG A 92 -0.288 -7.175 31.570 1.00 0.00 C ATOM 1436 O ARG A 92 -0.615 -5.986 31.524 1.00 0.00 O ATOM 1437 CB ARG A 92 1.915 -7.679 30.495 1.00 0.00 C ATOM 1438 CG ARG A 92 2.384 -6.235 30.571 1.00 0.00 C ATOM 1439 CD ARG A 92 3.899 -6.155 30.593 1.00 0.00 C ATOM 1440 NE ARG A 92 4.382 -4.777 30.637 1.00 0.00 N ATOM 1441 CZ ARG A 92 4.920 -4.149 29.594 1.00 0.00 C ATOM 1442 NH1 ARG A 92 4.935 -4.736 28.402 1.00 0.00 N ATOM 1443 NH2 ARG A 92 5.421 -2.931 29.741 1.00 0.00 N ATOM 0 H ARG A 92 0.558 -6.670 28.655 1.00 0.00 H new ATOM 0 HA ARG A 92 0.164 -8.904 30.400 1.00 0.00 H new ATOM 0 HB2 ARG A 92 2.263 -8.210 31.381 1.00 0.00 H new ATOM 0 HB3 ARG A 92 2.382 -8.156 29.633 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.999 -5.679 29.716 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.978 -5.764 31.466 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.276 -6.698 31.460 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.299 -6.650 29.708 1.00 0.00 H new ATOM 0 HE ARG A 92 4.302 -4.267 31.517 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.534 -5.667 28.287 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.347 -4.256 27.602 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.394 -2.475 30.653 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.833 -2.449 28.942 1.00 0.00 H new ATOM 1457 N PHE A 93 -0.513 -7.949 32.617 1.00 0.00 N ATOM 1458 CA PHE A 93 -1.119 -7.438 33.834 1.00 0.00 C ATOM 1459 C PHE A 93 -0.096 -7.463 34.960 1.00 0.00 C ATOM 1460 O PHE A 93 0.443 -8.520 35.297 1.00 0.00 O ATOM 1461 CB PHE A 93 -2.350 -8.268 34.220 1.00 0.00 C ATOM 1462 CG PHE A 93 -3.424 -8.297 33.165 1.00 0.00 C ATOM 1463 CD1 PHE A 93 -4.329 -7.253 33.042 1.00 0.00 C ATOM 1464 CD2 PHE A 93 -3.528 -9.372 32.294 1.00 0.00 C ATOM 1465 CE1 PHE A 93 -5.316 -7.282 32.074 1.00 0.00 C ATOM 1466 CE2 PHE A 93 -4.514 -9.406 31.325 1.00 0.00 C ATOM 1467 CZ PHE A 93 -5.408 -8.360 31.213 1.00 0.00 C ATOM 0 H PHE A 93 -0.283 -8.942 32.648 1.00 0.00 H new ATOM 0 HA PHE A 93 -1.443 -6.412 33.661 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.035 -9.290 34.431 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.771 -7.867 35.142 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.262 -6.407 33.710 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.830 -10.192 32.374 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -6.015 -6.463 31.990 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.585 -10.251 30.656 1.00 0.00 H new ATOM 0 HZ PHE A 93 -6.177 -8.384 30.455 1.00 0.00 H new ATOM 1477 N GLY A 94 0.175 -6.304 35.530 1.00 0.00 N ATOM 1478 CA GLY A 94 1.179 -6.211 36.566 1.00 0.00 C ATOM 1479 C GLY A 94 0.593 -5.840 37.906 1.00 0.00 C ATOM 1480 O GLY A 94 -0.410 -5.125 37.983 1.00 0.00 O ATOM 0 H GLY A 94 -0.282 -5.423 35.294 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.698 -7.166 36.652 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.924 -5.468 36.280 1.00 0.00 H new ATOM 1484 N LYS A 95 1.214 -6.337 38.961 1.00 0.00 N ATOM 1485 CA LYS A 95 0.793 -6.036 40.318 1.00 0.00 C ATOM 1486 C LYS A 95 1.678 -4.939 40.895 1.00 0.00 C ATOM 1487 O LYS A 95 2.810 -4.748 40.445 1.00 0.00 O ATOM 1488 CB LYS A 95 0.876 -7.291 41.194 1.00 0.00 C ATOM 1489 CG LYS A 95 2.268 -7.897 41.252 1.00 0.00 C ATOM 1490 CD LYS A 95 2.339 -9.075 42.202 1.00 0.00 C ATOM 1491 CE LYS A 95 3.747 -9.643 42.247 1.00 0.00 C ATOM 1492 NZ LYS A 95 3.886 -10.729 43.253 1.00 0.00 N ATOM 0 H LYS A 95 2.021 -6.958 38.902 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.242 -5.694 40.300 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.555 -7.041 42.205 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.179 -8.037 40.813 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.564 -8.219 40.254 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.981 -7.135 41.566 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.036 -8.762 43.201 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.639 -9.848 41.884 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.013 -10.027 41.262 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.451 -8.844 42.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.863 -11.085 43.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.658 -10.358 44.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.234 -11.505 43.019 1.00 0.00 H new ATOM 1506 N ARG A 96 1.172 -4.223 41.883 1.00 0.00 N ATOM 1507 CA ARG A 96 1.938 -3.153 42.502 1.00 0.00 C ATOM 1508 C ARG A 96 2.664 -3.665 43.742 1.00 0.00 C ATOM 1509 O ARG A 96 2.226 -4.630 44.375 1.00 0.00 O ATOM 1510 CB ARG A 96 1.028 -1.978 42.868 1.00 0.00 C ATOM 1511 CG ARG A 96 0.113 -2.244 44.054 1.00 0.00 C ATOM 1512 CD ARG A 96 -0.769 -1.046 44.350 1.00 0.00 C ATOM 1513 NE ARG A 96 -1.386 -1.127 45.671 1.00 0.00 N ATOM 1514 CZ ARG A 96 -2.033 -0.117 46.245 1.00 0.00 C ATOM 1515 NH1 ARG A 96 -2.242 1.011 45.570 1.00 0.00 N ATOM 1516 NH2 ARG A 96 -2.491 -0.243 47.481 1.00 0.00 N ATOM 0 H ARG A 96 0.240 -4.361 42.273 1.00 0.00 H new ATOM 0 HA ARG A 96 2.679 -2.804 41.783 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.647 -1.109 43.089 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.417 -1.723 42.002 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.510 -3.114 43.847 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.713 -2.482 44.932 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.175 -0.135 44.284 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.548 -0.974 43.591 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.317 -2.007 46.182 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.906 1.101 44.611 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.738 1.785 46.011 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.347 -1.114 47.992 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.987 0.531 47.922 1.00 0.00 H new ATOM 1530 N ALA A 97 3.774 -3.029 44.077 1.00 0.00 N ATOM 1531 CA ALA A 97 4.540 -3.405 45.251 1.00 0.00 C ATOM 1532 C ALA A 97 4.174 -2.518 46.438 1.00 0.00 C ATOM 1533 O ALA A 97 3.625 -1.426 46.261 1.00 0.00 O ATOM 1534 CB ALA A 97 6.029 -3.322 44.955 1.00 0.00 C ATOM 0 H ALA A 97 4.165 -2.248 43.550 1.00 0.00 H new ATOM 0 HA ALA A 97 4.296 -4.435 45.511 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.593 -3.606 45.843 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.276 -3.998 44.137 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.287 -2.301 44.672 1.00 0.00 H new ATOM 1540 N LEU A 98 4.476 -2.986 47.642 1.00 0.00 N ATOM 1541 CA LEU A 98 4.148 -2.244 48.852 1.00 0.00 C ATOM 1542 C LEU A 98 5.213 -1.200 49.144 1.00 0.00 C ATOM 1543 O LEU A 98 6.365 -1.334 48.722 1.00 0.00 O ATOM 1544 CB LEU A 98 3.993 -3.188 50.048 1.00 0.00 C ATOM 1545 CG LEU A 98 2.806 -4.150 49.969 1.00 0.00 C ATOM 1546 CD1 LEU A 98 2.705 -4.981 51.239 1.00 0.00 C ATOM 1547 CD2 LEU A 98 1.514 -3.381 49.733 1.00 0.00 C ATOM 0 H LEU A 98 4.947 -3.875 47.807 1.00 0.00 H new ATOM 0 HA LEU A 98 3.197 -1.738 48.688 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.907 -3.772 50.150 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.895 -2.589 50.953 1.00 0.00 H new ATOM 0 HG LEU A 98 2.966 -4.825 49.129 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.855 -5.659 51.164 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.620 -5.559 51.369 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.568 -4.321 52.096 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.679 -4.080 49.679 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.351 -2.683 50.554 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.585 -2.828 48.796 1.00 0.00 H new ATOM 1559 N GLU A 99 4.825 -0.161 49.867 1.00 0.00 N ATOM 1560 CA GLU A 99 5.723 0.940 50.167 1.00 0.00 C ATOM 1561 C GLU A 99 6.559 0.630 51.405 1.00 0.00 C ATOM 1562 O GLU A 99 6.021 0.319 52.470 1.00 0.00 O ATOM 1563 CB GLU A 99 4.920 2.225 50.372 1.00 0.00 C ATOM 1564 CG GLU A 99 5.779 3.468 50.521 1.00 0.00 C ATOM 1565 CD GLU A 99 4.949 4.718 50.698 1.00 0.00 C ATOM 1566 OE1 GLU A 99 4.514 5.301 49.681 1.00 0.00 O ATOM 1567 OE2 GLU A 99 4.721 5.124 51.856 1.00 0.00 O ATOM 0 H GLU A 99 3.889 -0.058 50.258 1.00 0.00 H new ATOM 0 HA GLU A 99 6.402 1.078 49.325 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.246 2.360 49.526 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.298 2.116 51.261 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.441 3.349 51.379 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.413 3.577 49.641 1.00 0.00 H new ATOM 1574 N HIS A 100 7.870 0.703 51.255 1.00 0.00 N ATOM 1575 CA HIS A 100 8.776 0.433 52.358 1.00 0.00 C ATOM 1576 C HIS A 100 9.427 1.722 52.843 1.00 0.00 C ATOM 1577 O HIS A 100 9.537 2.690 52.086 1.00 0.00 O ATOM 1578 CB HIS A 100 9.847 -0.595 51.955 1.00 0.00 C ATOM 1579 CG HIS A 100 10.755 -0.159 50.836 1.00 0.00 C ATOM 1580 ND1 HIS A 100 10.488 -0.479 49.525 1.00 0.00 N ATOM 1581 CD2 HIS A 100 11.918 0.535 50.891 1.00 0.00 C ATOM 1582 CE1 HIS A 100 11.488 0.025 48.818 1.00 0.00 C ATOM 1583 NE2 HIS A 100 12.377 0.645 49.602 1.00 0.00 N ATOM 0 H HIS A 100 8.332 0.947 50.379 1.00 0.00 H new ATOM 0 HA HIS A 100 8.194 0.009 53.176 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.456 -0.825 52.829 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.350 -1.519 51.661 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.393 0.926 51.779 1.00 0.00 H new ATOM 0 HE1 HIS A 100 11.575 -0.054 47.744 1.00 0.00 H new ATOM 0 HE2 HIS A 100 13.233 1.111 49.300 1.00 0.00 H new ATOM 1591 N HIS A 101 9.849 1.714 54.108 1.00 0.00 N ATOM 1592 CA HIS A 101 10.489 2.866 54.749 1.00 0.00 C ATOM 1593 C HIS A 101 9.478 4.010 54.936 1.00 0.00 C ATOM 1594 O HIS A 101 8.276 3.823 54.731 1.00 0.00 O ATOM 1595 CB HIS A 101 11.711 3.333 53.938 1.00 0.00 C ATOM 1596 CG HIS A 101 12.827 3.888 54.776 1.00 0.00 C ATOM 1597 ND1 HIS A 101 13.801 3.072 55.298 1.00 0.00 N ATOM 1598 CD2 HIS A 101 13.071 5.165 55.156 1.00 0.00 C ATOM 1599 CE1 HIS A 101 14.610 3.865 55.979 1.00 0.00 C ATOM 1600 NE2 HIS A 101 14.207 5.142 55.924 1.00 0.00 N ATOM 0 H HIS A 101 9.756 0.904 54.721 1.00 0.00 H new ATOM 0 HA HIS A 101 10.840 2.561 55.735 1.00 0.00 H new ATOM 0 HB2 HIS A 101 12.091 2.493 53.357 1.00 0.00 H new ATOM 0 HB3 HIS A 101 11.392 4.095 53.226 1.00 0.00 H new ATOM 0 HD2 HIS A 101 12.483 6.035 54.903 1.00 0.00 H new ATOM 0 HE1 HIS A 101 15.486 3.526 56.513 1.00 0.00 H new ATOM 0 HE2 HIS A 101 14.658 5.942 56.368 1.00 0.00 H new ATOM 1608 N HIS A 102 9.974 5.172 55.367 1.00 0.00 N ATOM 1609 CA HIS A 102 9.144 6.359 55.600 1.00 0.00 C ATOM 1610 C HIS A 102 8.195 6.148 56.780 1.00 0.00 C ATOM 1611 O HIS A 102 7.188 6.845 56.918 1.00 0.00 O ATOM 1612 CB HIS A 102 8.363 6.748 54.339 1.00 0.00 C ATOM 1613 CG HIS A 102 9.232 7.264 53.235 1.00 0.00 C ATOM 1614 ND1 HIS A 102 9.686 6.440 52.236 1.00 0.00 N ATOM 1615 CD2 HIS A 102 9.699 8.518 53.022 1.00 0.00 C ATOM 1616 CE1 HIS A 102 10.414 7.201 51.441 1.00 0.00 C ATOM 1617 NE2 HIS A 102 10.453 8.468 51.876 1.00 0.00 N ATOM 0 H HIS A 102 10.964 5.318 55.565 1.00 0.00 H new ATOM 0 HA HIS A 102 9.814 7.182 55.849 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.811 5.879 53.980 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.627 7.509 54.597 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.514 9.388 53.635 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.915 6.847 50.552 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.948 9.246 51.439 1.00 0.00 H new ATOM 1625 N HIS A 103 8.542 5.200 57.638 1.00 0.00 N ATOM 1626 CA HIS A 103 7.762 4.918 58.833 1.00 0.00 C ATOM 1627 C HIS A 103 8.570 5.319 60.065 1.00 0.00 C ATOM 1628 O HIS A 103 9.521 4.628 60.441 1.00 0.00 O ATOM 1629 CB HIS A 103 7.382 3.431 58.880 1.00 0.00 C ATOM 1630 CG HIS A 103 6.409 3.077 59.967 1.00 0.00 C ATOM 1631 ND1 HIS A 103 5.056 3.281 59.815 1.00 0.00 N ATOM 1632 CD2 HIS A 103 6.640 2.540 61.190 1.00 0.00 C ATOM 1633 CE1 HIS A 103 4.499 2.864 60.941 1.00 0.00 C ATOM 1634 NE2 HIS A 103 5.418 2.409 61.799 1.00 0.00 N ATOM 0 H HIS A 103 9.366 4.609 57.527 1.00 0.00 H new ATOM 0 HA HIS A 103 6.838 5.496 58.815 1.00 0.00 H new ATOM 0 HB2 HIS A 103 6.954 3.147 57.919 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.288 2.840 59.013 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.600 2.268 61.604 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.438 2.888 61.141 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.243 2.035 62.732 1.00 0.00 H new ATOM 1642 N HIS A 104 8.208 6.458 60.655 1.00 0.00 N ATOM 1643 CA HIS A 104 8.951 7.042 61.778 1.00 0.00 C ATOM 1644 C HIS A 104 10.366 7.423 61.343 1.00 0.00 C ATOM 1645 O HIS A 104 10.664 7.470 60.147 1.00 0.00 O ATOM 1646 CB HIS A 104 9.002 6.089 62.981 1.00 0.00 C ATOM 1647 CG HIS A 104 7.685 5.918 63.674 1.00 0.00 C ATOM 1648 ND1 HIS A 104 7.221 6.851 64.569 1.00 0.00 N ATOM 1649 CD2 HIS A 104 6.783 4.919 63.569 1.00 0.00 C ATOM 1650 CE1 HIS A 104 6.053 6.398 64.985 1.00 0.00 C ATOM 1651 NE2 HIS A 104 5.744 5.228 64.411 1.00 0.00 N ATOM 0 H HIS A 104 7.394 7.003 60.371 1.00 0.00 H new ATOM 0 HA HIS A 104 8.421 7.942 62.090 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.354 5.114 62.645 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.733 6.463 63.698 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.864 4.043 62.942 1.00 0.00 H new ATOM 0 HE1 HIS A 104 5.424 6.908 65.700 1.00 0.00 H new ATOM 0 HE2 HIS A 104 4.902 4.675 64.569 1.00 0.00 H new ATOM 1659 N HIS A 105 11.229 7.706 62.305 1.00 0.00 N ATOM 1660 CA HIS A 105 12.606 8.080 62.004 1.00 0.00 C ATOM 1661 C HIS A 105 13.562 7.112 62.683 1.00 0.00 C ATOM 1662 O HIS A 105 14.045 7.426 63.788 1.00 0.00 O ATOM 1663 CB HIS A 105 12.896 9.517 62.455 1.00 0.00 C ATOM 1664 CG HIS A 105 11.966 10.536 61.867 1.00 0.00 C ATOM 1665 ND1 HIS A 105 12.251 11.179 60.685 1.00 0.00 N ATOM 1666 CD2 HIS A 105 10.775 10.977 62.334 1.00 0.00 C ATOM 1667 CE1 HIS A 105 11.228 11.990 60.464 1.00 0.00 C ATOM 1668 NE2 HIS A 105 10.310 11.900 61.436 1.00 0.00 N ATOM 1669 OXT HIS A 105 13.790 6.017 62.129 1.00 0.00 O ATOM 0 H HIS A 105 11.004 7.685 63.300 1.00 0.00 H new ATOM 0 HA HIS A 105 12.750 8.030 60.925 1.00 0.00 H new ATOM 0 HB2 HIS A 105 12.833 9.566 63.542 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.920 9.774 62.183 1.00 0.00 H new ATOM 0 HD2 HIS A 105 10.284 10.661 63.243 1.00 0.00 H new ATOM 0 HE1 HIS A 105 11.144 12.642 59.607 1.00 0.00 H new ATOM 0 HE2 HIS A 105 9.434 12.419 61.495 1.00 0.00 H new TER 1677 HIS A 105