USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 508 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 18:sc= 0.648 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -150:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0593 USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= -0.0688 (180deg=-1.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 27 GLN : amide:sc= -0.422 K(o=-0.42,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= -0.676 (180deg=-2.33!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.0042) USER MOD Single : A 47 HIS : no HD1:sc= -0.139 K(o=-0.14,f=-1.7) USER MOD Single : A 48 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.086) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.52 F(o=-2,f=-1.5) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.396 -17.454 -2.365 1.00 0.00 N ATOM 2 CA GLY A 1 9.205 -17.343 -3.188 1.00 0.00 C ATOM 3 C GLY A 1 8.003 -16.856 -2.405 1.00 0.00 C ATOM 4 O GLY A 1 7.728 -17.344 -1.309 1.00 0.00 O ATOM 0 H1 GLY A 1 11.190 -17.791 -2.947 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.630 -16.523 -1.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.223 -18.128 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.400 -16.657 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.979 -18.314 -3.628 1.00 0.00 H new ATOM 8 N SER A 2 7.284 -15.889 -2.967 1.00 0.00 N ATOM 9 CA SER A 2 6.107 -15.331 -2.312 1.00 0.00 C ATOM 10 C SER A 2 5.093 -16.426 -1.993 1.00 0.00 C ATOM 11 O SER A 2 5.203 -17.550 -2.482 1.00 0.00 O ATOM 12 CB SER A 2 5.461 -14.264 -3.198 1.00 0.00 C ATOM 13 OG SER A 2 6.085 -13.005 -3.016 1.00 0.00 O ATOM 0 H SER A 2 7.496 -15.476 -3.875 1.00 0.00 H new ATOM 0 HA SER A 2 6.426 -14.871 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.534 -14.562 -4.244 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.400 -14.185 -2.963 1.00 0.00 H new ATOM 0 HG SER A 2 5.656 -12.340 -3.594 1.00 0.00 H new ATOM 19 N SER A 3 4.106 -16.088 -1.170 1.00 0.00 N ATOM 20 CA SER A 3 3.073 -17.042 -0.782 1.00 0.00 C ATOM 21 C SER A 3 1.800 -16.319 -0.352 1.00 0.00 C ATOM 22 O SER A 3 1.802 -15.107 -0.143 1.00 0.00 O ATOM 23 CB SER A 3 3.575 -17.935 0.353 1.00 0.00 C ATOM 24 OG SER A 3 4.396 -18.978 -0.143 1.00 0.00 O ATOM 0 H SER A 3 3.999 -15.161 -0.759 1.00 0.00 H new ATOM 0 HA SER A 3 2.842 -17.663 -1.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.136 -17.336 1.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.726 -18.360 0.888 1.00 0.00 H new ATOM 0 HG SER A 3 4.699 -18.754 -1.047 1.00 0.00 H new ATOM 30 N GLY A 4 0.714 -17.075 -0.220 1.00 0.00 N ATOM 31 CA GLY A 4 -0.551 -16.490 0.185 1.00 0.00 C ATOM 32 C GLY A 4 -1.339 -15.943 -0.989 1.00 0.00 C ATOM 33 O GLY A 4 -0.775 -15.655 -2.044 1.00 0.00 O ATOM 0 H GLY A 4 0.688 -18.081 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.148 -17.243 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.365 -15.688 0.899 1.00 0.00 H new ATOM 37 N SER A 5 -2.648 -15.800 -0.806 1.00 0.00 N ATOM 38 CA SER A 5 -3.516 -15.289 -1.860 1.00 0.00 C ATOM 39 C SER A 5 -3.722 -13.785 -1.712 1.00 0.00 C ATOM 40 O SER A 5 -3.546 -13.026 -2.665 1.00 0.00 O ATOM 41 CB SER A 5 -4.867 -16.006 -1.830 1.00 0.00 C ATOM 42 OG SER A 5 -4.728 -17.372 -2.180 1.00 0.00 O ATOM 0 H SER A 5 -3.130 -16.031 0.063 1.00 0.00 H new ATOM 0 HA SER A 5 -3.033 -15.480 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.303 -15.925 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.556 -15.519 -2.520 1.00 0.00 H new ATOM 0 HG SER A 5 -5.605 -17.808 -2.152 1.00 0.00 H new ATOM 48 N SER A 6 -4.097 -13.361 -0.509 1.00 0.00 N ATOM 49 CA SER A 6 -4.331 -11.948 -0.236 1.00 0.00 C ATOM 50 C SER A 6 -3.319 -11.414 0.773 1.00 0.00 C ATOM 51 O SER A 6 -2.501 -12.164 1.304 1.00 0.00 O ATOM 52 CB SER A 6 -5.752 -11.737 0.291 1.00 0.00 C ATOM 53 OG SER A 6 -5.859 -12.141 1.645 1.00 0.00 O ATOM 0 H SER A 6 -4.245 -13.976 0.291 1.00 0.00 H new ATOM 0 HA SER A 6 -4.211 -11.399 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.025 -10.686 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.457 -12.304 -0.318 1.00 0.00 H new ATOM 0 HG SER A 6 -6.771 -12.453 1.822 1.00 0.00 H new ATOM 59 N GLY A 7 -3.380 -10.111 1.032 1.00 0.00 N ATOM 60 CA GLY A 7 -2.464 -9.498 1.975 1.00 0.00 C ATOM 61 C GLY A 7 -1.217 -8.958 1.304 1.00 0.00 C ATOM 62 O GLY A 7 -0.985 -7.749 1.289 1.00 0.00 O ATOM 0 H GLY A 7 -4.048 -9.469 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.973 -8.687 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.179 -10.232 2.729 1.00 0.00 H new ATOM 66 N LYS A 8 -0.410 -9.855 0.748 1.00 0.00 N ATOM 67 CA LYS A 8 0.821 -9.463 0.072 1.00 0.00 C ATOM 68 C LYS A 8 0.609 -8.198 -0.754 1.00 0.00 C ATOM 69 O LYS A 8 1.493 -7.346 -0.841 1.00 0.00 O ATOM 70 CB LYS A 8 1.316 -10.596 -0.829 1.00 0.00 C ATOM 71 CG LYS A 8 2.045 -11.696 -0.077 1.00 0.00 C ATOM 72 CD LYS A 8 3.536 -11.418 0.012 1.00 0.00 C ATOM 73 CE LYS A 8 4.248 -12.457 0.865 1.00 0.00 C ATOM 74 NZ LYS A 8 5.684 -12.588 0.495 1.00 0.00 N ATOM 0 H LYS A 8 -0.587 -10.860 0.752 1.00 0.00 H new ATOM 0 HA LYS A 8 1.574 -9.257 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.465 -11.029 -1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.982 -10.182 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.631 -11.788 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.881 -12.650 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.966 -11.412 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.697 -10.426 0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.168 -12.181 1.916 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.754 -13.422 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.134 -13.305 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.761 -12.876 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.162 -11.674 0.629 1.00 0.00 H new ATOM 88 N ALA A 9 -0.569 -8.082 -1.358 1.00 0.00 N ATOM 89 CA ALA A 9 -0.898 -6.920 -2.174 1.00 0.00 C ATOM 90 C ALA A 9 -1.634 -5.865 -1.356 1.00 0.00 C ATOM 91 O ALA A 9 -2.596 -6.172 -0.652 1.00 0.00 O ATOM 92 CB ALA A 9 -1.733 -7.338 -3.375 1.00 0.00 C ATOM 0 H ALA A 9 -1.311 -8.779 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 9 0.034 -6.481 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.971 -6.460 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.170 -8.049 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.656 -7.804 -3.032 1.00 0.00 H new ATOM 98 N ALA A 10 -1.176 -4.621 -1.452 1.00 0.00 N ATOM 99 CA ALA A 10 -1.793 -3.521 -0.722 1.00 0.00 C ATOM 100 C ALA A 10 -2.107 -2.353 -1.650 1.00 0.00 C ATOM 101 O ALA A 10 -1.230 -1.859 -2.359 1.00 0.00 O ATOM 102 CB ALA A 10 -0.887 -3.067 0.413 1.00 0.00 C ATOM 0 H ALA A 10 -0.379 -4.350 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.733 -3.879 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.360 -2.245 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.718 -3.898 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.067 -2.733 0.005 1.00 0.00 H new ATOM 108 N ARG A 11 -3.362 -1.916 -1.641 1.00 0.00 N ATOM 109 CA ARG A 11 -3.791 -0.807 -2.484 1.00 0.00 C ATOM 110 C ARG A 11 -3.448 0.532 -1.838 1.00 0.00 C ATOM 111 O ARG A 11 -3.342 0.634 -0.615 1.00 0.00 O ATOM 112 CB ARG A 11 -5.296 -0.889 -2.745 1.00 0.00 C ATOM 113 CG ARG A 11 -5.725 -0.236 -4.049 1.00 0.00 C ATOM 114 CD ARG A 11 -7.236 -0.079 -4.123 1.00 0.00 C ATOM 115 NE ARG A 11 -7.897 -1.326 -4.499 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.221 -2.277 -3.630 1.00 0.00 C ATOM 117 NH1 ARG A 11 -7.946 -2.125 -2.342 1.00 0.00 N ATOM 118 NH2 ARG A 11 -8.822 -3.384 -4.049 1.00 0.00 N ATOM 0 H ARG A 11 -4.100 -2.313 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.260 -0.879 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.598 -1.936 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.826 -0.414 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.252 0.742 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.379 -0.838 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.614 0.255 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.485 0.696 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.122 -1.475 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.484 -1.276 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.196 -2.857 -1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.035 -3.505 -5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.070 -4.114 -3.381 1.00 0.00 H new ATOM 132 N LEU A 12 -3.276 1.556 -2.666 1.00 0.00 N ATOM 133 CA LEU A 12 -2.945 2.889 -2.175 1.00 0.00 C ATOM 134 C LEU A 12 -4.189 3.604 -1.659 1.00 0.00 C ATOM 135 O LEU A 12 -5.177 3.754 -2.380 1.00 0.00 O ATOM 136 CB LEU A 12 -2.292 3.715 -3.285 1.00 0.00 C ATOM 137 CG LEU A 12 -0.801 3.467 -3.518 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.017 4.001 -2.353 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.533 1.983 -3.724 1.00 0.00 C ATOM 0 H LEU A 12 -3.360 1.489 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.242 2.781 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.822 3.518 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.433 4.771 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.500 3.999 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.075 3.816 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.151 5.073 -2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.286 3.498 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.533 1.825 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.850 1.430 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.090 1.630 -4.592 1.00 0.00 H new ATOM 151 N LYS A 13 -4.135 4.046 -0.407 1.00 0.00 N ATOM 152 CA LYS A 13 -5.256 4.749 0.206 1.00 0.00 C ATOM 153 C LYS A 13 -5.550 6.051 -0.531 1.00 0.00 C ATOM 154 O LYS A 13 -6.694 6.505 -0.577 1.00 0.00 O ATOM 155 CB LYS A 13 -4.958 5.041 1.678 1.00 0.00 C ATOM 156 CG LYS A 13 -5.168 3.844 2.590 1.00 0.00 C ATOM 157 CD LYS A 13 -5.377 4.272 4.033 1.00 0.00 C ATOM 158 CE LYS A 13 -6.818 4.684 4.289 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.693 3.508 4.553 1.00 0.00 N ATOM 0 H LYS A 13 -3.326 3.930 0.203 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.135 4.107 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.927 5.381 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.595 5.859 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.032 3.274 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.304 3.182 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.108 3.452 4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.713 5.104 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.856 5.363 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.197 5.233 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.667 3.831 4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.677 2.872 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.346 2.999 5.391 1.00 0.00 H new ATOM 173 N PHE A 14 -4.512 6.647 -1.109 1.00 0.00 N ATOM 174 CA PHE A 14 -4.660 7.897 -1.845 1.00 0.00 C ATOM 175 C PHE A 14 -3.473 8.123 -2.776 1.00 0.00 C ATOM 176 O PHE A 14 -2.469 7.414 -2.704 1.00 0.00 O ATOM 177 CB PHE A 14 -4.793 9.072 -0.874 1.00 0.00 C ATOM 178 CG PHE A 14 -6.012 8.993 0.000 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.269 9.268 -0.514 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.900 8.642 1.336 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.391 9.196 0.289 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.019 8.568 2.144 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.267 8.844 1.619 1.00 0.00 C ATOM 0 H PHE A 14 -3.559 6.284 -1.082 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.565 7.830 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.905 9.113 -0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.823 10.001 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.373 9.542 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.927 8.424 1.751 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.365 9.415 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.918 8.295 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.144 8.785 2.247 1.00 0.00 H new ATOM 193 N ASP A 15 -3.595 9.116 -3.650 1.00 0.00 N ATOM 194 CA ASP A 15 -2.533 9.438 -4.596 1.00 0.00 C ATOM 195 C ASP A 15 -1.268 9.875 -3.864 1.00 0.00 C ATOM 196 O ASP A 15 -1.247 10.913 -3.202 1.00 0.00 O ATOM 197 CB ASP A 15 -2.989 10.540 -5.553 1.00 0.00 C ATOM 198 CG ASP A 15 -3.795 11.617 -4.854 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.312 12.152 -3.834 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.909 11.926 -5.327 1.00 0.00 O ATOM 0 H ASP A 15 -4.419 9.712 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.308 8.539 -5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.116 10.992 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.589 10.100 -6.349 1.00 0.00 H new ATOM 205 N PHE A 16 -0.213 9.075 -3.987 1.00 0.00 N ATOM 206 CA PHE A 16 1.056 9.377 -3.335 1.00 0.00 C ATOM 207 C PHE A 16 2.026 10.035 -4.313 1.00 0.00 C ATOM 208 O PHE A 16 2.194 9.573 -5.441 1.00 0.00 O ATOM 209 CB PHE A 16 1.677 8.101 -2.763 1.00 0.00 C ATOM 210 CG PHE A 16 2.906 8.351 -1.937 1.00 0.00 C ATOM 211 CD1 PHE A 16 2.947 9.401 -1.034 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.019 7.536 -2.062 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.077 9.633 -0.272 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.151 7.763 -1.303 1.00 0.00 C ATOM 215 CZ PHE A 16 5.180 8.813 -0.406 1.00 0.00 C ATOM 0 H PHE A 16 -0.212 8.213 -4.532 1.00 0.00 H new ATOM 0 HA PHE A 16 0.861 10.074 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.935 7.588 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.931 7.430 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.087 10.045 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.002 6.713 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.097 10.455 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.012 7.120 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.063 8.992 0.189 1.00 0.00 H new ATOM 225 N GLN A 17 2.660 11.116 -3.871 1.00 0.00 N ATOM 226 CA GLN A 17 3.612 11.837 -4.707 1.00 0.00 C ATOM 227 C GLN A 17 4.997 11.851 -4.068 1.00 0.00 C ATOM 228 O GLN A 17 5.237 12.569 -3.097 1.00 0.00 O ATOM 229 CB GLN A 17 3.132 13.271 -4.942 1.00 0.00 C ATOM 230 CG GLN A 17 4.062 14.086 -5.826 1.00 0.00 C ATOM 231 CD GLN A 17 4.091 13.589 -7.258 1.00 0.00 C ATOM 232 OE1 GLN A 17 3.067 13.568 -7.940 1.00 0.00 O ATOM 233 NE2 GLN A 17 5.268 13.186 -7.721 1.00 0.00 N ATOM 0 H GLN A 17 2.532 11.511 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 17 3.679 11.321 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.142 13.244 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.027 13.772 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.747 15.129 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.070 14.053 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.091 13.221 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.349 12.842 -8.678 1.00 0.00 H new ATOM 242 N ALA A 18 5.905 11.051 -4.618 1.00 0.00 N ATOM 243 CA ALA A 18 7.266 10.973 -4.103 1.00 0.00 C ATOM 244 C ALA A 18 8.014 12.283 -4.324 1.00 0.00 C ATOM 245 O ALA A 18 7.987 12.846 -5.419 1.00 0.00 O ATOM 246 CB ALA A 18 8.013 9.820 -4.758 1.00 0.00 C ATOM 0 H ALA A 18 5.722 10.448 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 18 7.211 10.794 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.028 9.774 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.497 8.884 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.049 9.976 -5.836 1.00 0.00 H new ATOM 252 N GLN A 19 8.678 12.764 -3.278 1.00 0.00 N ATOM 253 CA GLN A 19 9.432 14.010 -3.360 1.00 0.00 C ATOM 254 C GLN A 19 10.865 13.751 -3.813 1.00 0.00 C ATOM 255 O GLN A 19 11.421 14.508 -4.608 1.00 0.00 O ATOM 256 CB GLN A 19 9.433 14.719 -2.004 1.00 0.00 C ATOM 257 CG GLN A 19 10.108 16.081 -2.031 1.00 0.00 C ATOM 258 CD GLN A 19 10.709 16.461 -0.692 1.00 0.00 C ATOM 259 OE1 GLN A 19 11.714 15.890 -0.266 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.096 17.428 -0.020 1.00 0.00 N ATOM 0 H GLN A 19 8.709 12.311 -2.365 1.00 0.00 H new ATOM 0 HA GLN A 19 8.948 14.651 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.404 14.839 -1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.937 14.087 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.891 16.079 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.380 16.837 -2.326 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.266 17.874 -0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.455 17.725 0.887 1.00 0.00 H new ATOM 269 N SER A 20 11.457 12.677 -3.301 1.00 0.00 N ATOM 270 CA SER A 20 12.827 12.320 -3.650 1.00 0.00 C ATOM 271 C SER A 20 12.855 11.390 -4.859 1.00 0.00 C ATOM 272 O SER A 20 11.908 10.652 -5.129 1.00 0.00 O ATOM 273 CB SER A 20 13.521 11.651 -2.462 1.00 0.00 C ATOM 274 OG SER A 20 13.178 10.278 -2.378 1.00 0.00 O ATOM 0 H SER A 20 11.009 12.039 -2.643 1.00 0.00 H new ATOM 0 HA SER A 20 13.361 13.236 -3.905 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.601 11.754 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.238 12.157 -1.539 1.00 0.00 H new ATOM 0 HG SER A 20 13.636 9.873 -1.612 1.00 0.00 H new ATOM 280 N PRO A 21 13.969 11.427 -5.606 1.00 0.00 N ATOM 281 CA PRO A 21 14.149 10.594 -6.799 1.00 0.00 C ATOM 282 C PRO A 21 14.309 9.117 -6.456 1.00 0.00 C ATOM 283 O PRO A 21 14.522 8.283 -7.337 1.00 0.00 O ATOM 284 CB PRO A 21 15.435 11.141 -7.423 1.00 0.00 C ATOM 285 CG PRO A 21 16.181 11.745 -6.284 1.00 0.00 C ATOM 286 CD PRO A 21 15.137 12.283 -5.344 1.00 0.00 C ATOM 0 HA PRO A 21 13.285 10.639 -7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.013 10.348 -7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.218 11.883 -8.192 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.806 11.002 -5.789 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.843 12.540 -6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.459 12.216 -4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.919 13.332 -5.543 1.00 0.00 H new ATOM 294 N LYS A 22 14.207 8.798 -5.170 1.00 0.00 N ATOM 295 CA LYS A 22 14.339 7.421 -4.710 1.00 0.00 C ATOM 296 C LYS A 22 12.977 6.833 -4.357 1.00 0.00 C ATOM 297 O LYS A 22 12.742 5.638 -4.537 1.00 0.00 O ATOM 298 CB LYS A 22 15.266 7.355 -3.494 1.00 0.00 C ATOM 299 CG LYS A 22 15.092 6.094 -2.665 1.00 0.00 C ATOM 300 CD LYS A 22 16.036 6.075 -1.474 1.00 0.00 C ATOM 301 CE LYS A 22 17.361 5.415 -1.823 1.00 0.00 C ATOM 302 NZ LYS A 22 18.301 6.369 -2.475 1.00 0.00 N ATOM 0 H LYS A 22 14.033 9.475 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 22 14.770 6.833 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.300 7.418 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.084 8.224 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.062 6.027 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.274 5.219 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.215 7.095 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.569 5.541 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.818 5.017 -0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.182 4.570 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.280 6.101 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.164 6.342 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.116 7.331 -2.127 1.00 0.00 H new ATOM 316 N GLU A 23 12.083 7.679 -3.855 1.00 0.00 N ATOM 317 CA GLU A 23 10.744 7.241 -3.478 1.00 0.00 C ATOM 318 C GLU A 23 9.923 6.877 -4.711 1.00 0.00 C ATOM 319 O GLU A 23 10.269 7.250 -5.833 1.00 0.00 O ATOM 320 CB GLU A 23 10.031 8.336 -2.681 1.00 0.00 C ATOM 321 CG GLU A 23 10.346 8.311 -1.195 1.00 0.00 C ATOM 322 CD GLU A 23 9.472 9.260 -0.398 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.339 9.538 -0.844 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.921 9.723 0.671 1.00 0.00 O ATOM 0 H GLU A 23 12.262 8.671 -3.700 1.00 0.00 H new ATOM 0 HA GLU A 23 10.842 6.353 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.310 9.309 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.955 8.230 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.215 7.297 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.393 8.574 -1.045 1.00 0.00 H new ATOM 331 N LEU A 24 8.835 6.147 -4.496 1.00 0.00 N ATOM 332 CA LEU A 24 7.963 5.731 -5.589 1.00 0.00 C ATOM 333 C LEU A 24 6.728 6.622 -5.670 1.00 0.00 C ATOM 334 O LEU A 24 6.156 7.004 -4.648 1.00 0.00 O ATOM 335 CB LEU A 24 7.543 4.272 -5.406 1.00 0.00 C ATOM 336 CG LEU A 24 8.456 3.226 -6.046 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.091 1.831 -5.561 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.375 3.303 -7.564 1.00 0.00 C ATOM 0 H LEU A 24 8.535 5.830 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 24 8.519 5.828 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.479 4.064 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.540 4.149 -5.815 1.00 0.00 H new ATOM 0 HG LEU A 24 9.483 3.436 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.751 1.099 -6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.202 1.782 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.058 1.611 -5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.031 2.551 -8.002 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.349 3.119 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.686 4.294 -7.895 1.00 0.00 H new ATOM 350 N THR A 25 6.318 6.948 -6.892 1.00 0.00 N ATOM 351 CA THR A 25 5.149 7.793 -7.106 1.00 0.00 C ATOM 352 C THR A 25 3.973 6.979 -7.634 1.00 0.00 C ATOM 353 O THR A 25 3.999 6.492 -8.765 1.00 0.00 O ATOM 354 CB THR A 25 5.454 8.934 -8.094 1.00 0.00 C ATOM 355 OG1 THR A 25 6.650 9.616 -7.701 1.00 0.00 O ATOM 356 CG2 THR A 25 4.298 9.921 -8.155 1.00 0.00 C ATOM 0 H THR A 25 6.778 6.640 -7.749 1.00 0.00 H new ATOM 0 HA THR A 25 4.886 8.221 -6.139 1.00 0.00 H new ATOM 0 HB THR A 25 5.593 8.500 -9.084 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.838 10.339 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.537 10.718 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.396 9.405 -8.483 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.132 10.349 -7.166 1.00 0.00 H new ATOM 364 N LEU A 26 2.941 6.837 -6.809 1.00 0.00 N ATOM 365 CA LEU A 26 1.753 6.082 -7.193 1.00 0.00 C ATOM 366 C LEU A 26 0.504 6.953 -7.107 1.00 0.00 C ATOM 367 O LEU A 26 0.561 8.092 -6.644 1.00 0.00 O ATOM 368 CB LEU A 26 1.594 4.852 -6.298 1.00 0.00 C ATOM 369 CG LEU A 26 2.813 3.934 -6.196 1.00 0.00 C ATOM 370 CD1 LEU A 26 2.693 3.021 -4.985 1.00 0.00 C ATOM 371 CD2 LEU A 26 2.973 3.117 -7.469 1.00 0.00 C ATOM 0 H LEU A 26 2.903 7.235 -5.870 1.00 0.00 H new ATOM 0 HA LEU A 26 1.877 5.757 -8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.333 5.189 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.752 4.266 -6.667 1.00 0.00 H new ATOM 0 HG LEU A 26 3.702 4.553 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.569 2.375 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.628 3.624 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.796 2.409 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.845 2.470 -7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.083 2.507 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.106 3.788 -8.318 1.00 0.00 H new ATOM 383 N GLN A 27 -0.623 6.408 -7.554 1.00 0.00 N ATOM 384 CA GLN A 27 -1.886 7.136 -7.526 1.00 0.00 C ATOM 385 C GLN A 27 -2.944 6.360 -6.747 1.00 0.00 C ATOM 386 O GLN A 27 -2.778 5.173 -6.467 1.00 0.00 O ATOM 387 CB GLN A 27 -2.378 7.402 -8.950 1.00 0.00 C ATOM 388 CG GLN A 27 -1.753 8.631 -9.589 1.00 0.00 C ATOM 389 CD GLN A 27 -2.449 9.917 -9.187 1.00 0.00 C ATOM 390 OE1 GLN A 27 -3.592 9.900 -8.729 1.00 0.00 O ATOM 391 NE2 GLN A 27 -1.763 11.040 -9.356 1.00 0.00 N ATOM 0 H GLN A 27 -0.687 5.466 -7.939 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.716 8.089 -7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.162 6.531 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.461 7.522 -8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.702 8.688 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.786 8.528 -10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.818 11.008 -9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.180 11.936 -9.103 1.00 0.00 H new ATOM 400 N LYS A 28 -4.031 7.039 -6.399 1.00 0.00 N ATOM 401 CA LYS A 28 -5.118 6.415 -5.653 1.00 0.00 C ATOM 402 C LYS A 28 -5.625 5.169 -6.371 1.00 0.00 C ATOM 403 O LYS A 28 -6.135 5.249 -7.488 1.00 0.00 O ATOM 404 CB LYS A 28 -6.266 7.407 -5.457 1.00 0.00 C ATOM 405 CG LYS A 28 -7.367 6.892 -4.547 1.00 0.00 C ATOM 406 CD LYS A 28 -8.416 6.115 -5.325 1.00 0.00 C ATOM 407 CE LYS A 28 -9.580 5.707 -4.436 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.387 4.614 -5.046 1.00 0.00 N ATOM 0 H LYS A 28 -4.183 8.023 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.732 6.119 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.868 8.333 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.694 7.651 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.935 6.252 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.839 7.731 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.784 6.724 -6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.962 5.226 -5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.201 5.381 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.218 6.572 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.171 4.364 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.770 4.933 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.784 3.780 -5.197 1.00 0.00 H new ATOM 422 N GLY A 29 -5.484 4.017 -5.722 1.00 0.00 N ATOM 423 CA GLY A 29 -5.935 2.772 -6.314 1.00 0.00 C ATOM 424 C GLY A 29 -4.863 2.109 -7.157 1.00 0.00 C ATOM 425 O GLY A 29 -5.084 1.806 -8.330 1.00 0.00 O ATOM 0 H GLY A 29 -5.065 3.924 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.245 2.089 -5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.812 2.964 -6.932 1.00 0.00 H new ATOM 429 N ASP A 30 -3.698 1.885 -6.560 1.00 0.00 N ATOM 430 CA ASP A 30 -2.587 1.254 -7.263 1.00 0.00 C ATOM 431 C ASP A 30 -2.125 -0.003 -6.533 1.00 0.00 C ATOM 432 O ASP A 30 -2.451 -0.209 -5.364 1.00 0.00 O ATOM 433 CB ASP A 30 -1.421 2.235 -7.403 1.00 0.00 C ATOM 434 CG ASP A 30 -1.544 3.109 -8.636 1.00 0.00 C ATOM 435 OD1 ASP A 30 -2.385 4.032 -8.627 1.00 0.00 O ATOM 436 OD2 ASP A 30 -0.800 2.869 -9.610 1.00 0.00 O ATOM 0 H ASP A 30 -3.498 2.131 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.933 0.969 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.374 2.867 -6.516 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.485 1.678 -7.448 1.00 0.00 H new ATOM 441 N ILE A 31 -1.365 -0.841 -7.232 1.00 0.00 N ATOM 442 CA ILE A 31 -0.859 -2.078 -6.650 1.00 0.00 C ATOM 443 C ILE A 31 0.664 -2.121 -6.690 1.00 0.00 C ATOM 444 O ILE A 31 1.283 -1.679 -7.658 1.00 0.00 O ATOM 445 CB ILE A 31 -1.417 -3.313 -7.381 1.00 0.00 C ATOM 446 CG1 ILE A 31 -2.940 -3.368 -7.247 1.00 0.00 C ATOM 447 CG2 ILE A 31 -0.785 -4.584 -6.832 1.00 0.00 C ATOM 448 CD1 ILE A 31 -3.424 -3.281 -5.816 1.00 0.00 C ATOM 0 H ILE A 31 -1.087 -0.685 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.193 -2.099 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.167 -3.234 -8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.377 -2.550 -7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.302 -4.296 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.190 -5.448 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.295 -4.545 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.007 -4.671 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.513 -3.326 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.016 -4.114 -5.243 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.092 -2.341 -5.376 1.00 0.00 H new ATOM 460 N VAL A 32 1.264 -2.659 -5.633 1.00 0.00 N ATOM 461 CA VAL A 32 2.716 -2.764 -5.549 1.00 0.00 C ATOM 462 C VAL A 32 3.139 -4.135 -5.034 1.00 0.00 C ATOM 463 O VAL A 32 2.390 -4.799 -4.317 1.00 0.00 O ATOM 464 CB VAL A 32 3.305 -1.678 -4.629 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.890 -0.293 -5.104 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.872 -1.908 -3.189 1.00 0.00 C ATOM 0 H VAL A 32 0.767 -3.029 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 32 3.102 -2.623 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 32 4.392 -1.740 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.315 0.461 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.254 -0.132 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.803 -0.215 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.297 -1.132 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.784 -1.873 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.224 -2.884 -2.855 1.00 0.00 H new ATOM 476 N TYR A 33 4.345 -4.553 -5.402 1.00 0.00 N ATOM 477 CA TYR A 33 4.868 -5.846 -4.979 1.00 0.00 C ATOM 478 C TYR A 33 5.938 -5.676 -3.905 1.00 0.00 C ATOM 479 O TYR A 33 6.947 -5.004 -4.120 1.00 0.00 O ATOM 480 CB TYR A 33 5.446 -6.603 -6.176 1.00 0.00 C ATOM 481 CG TYR A 33 4.487 -6.722 -7.338 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.338 -7.497 -7.240 1.00 0.00 C ATOM 483 CD2 TYR A 33 4.729 -6.060 -8.536 1.00 0.00 C ATOM 484 CE1 TYR A 33 2.459 -7.610 -8.299 1.00 0.00 C ATOM 485 CE2 TYR A 33 3.855 -6.165 -9.600 1.00 0.00 C ATOM 486 CZ TYR A 33 2.721 -6.941 -9.477 1.00 0.00 C ATOM 487 OH TYR A 33 1.849 -7.050 -10.535 1.00 0.00 O ATOM 0 H TYR A 33 4.979 -4.015 -5.993 1.00 0.00 H new ATOM 0 HA TYR A 33 4.044 -6.422 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.351 -6.097 -6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.741 -7.602 -5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.129 -8.021 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.616 -5.453 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.572 -8.218 -8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.058 -5.643 -10.523 1.00 0.00 H new ATOM 0 HH TYR A 33 2.180 -6.517 -11.288 1.00 0.00 H new ATOM 497 N ILE A 34 5.710 -6.291 -2.749 1.00 0.00 N ATOM 498 CA ILE A 34 6.654 -6.209 -1.642 1.00 0.00 C ATOM 499 C ILE A 34 7.773 -7.234 -1.797 1.00 0.00 C ATOM 500 O ILE A 34 7.574 -8.427 -1.563 1.00 0.00 O ATOM 501 CB ILE A 34 5.954 -6.431 -0.288 1.00 0.00 C ATOM 502 CG1 ILE A 34 5.037 -5.250 0.036 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.984 -6.626 0.815 1.00 0.00 C ATOM 504 CD1 ILE A 34 5.716 -3.904 -0.091 1.00 0.00 C ATOM 0 H ILE A 34 4.880 -6.851 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 34 7.078 -5.205 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 34 5.345 -7.333 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.175 -5.277 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.659 -5.362 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.474 -6.782 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.601 -7.495 0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.616 -5.741 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.006 -3.114 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.562 -3.857 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.070 -3.770 -1.113 1.00 0.00 H new ATOM 516 N HIS A 35 8.950 -6.761 -2.192 1.00 0.00 N ATOM 517 CA HIS A 35 10.103 -7.636 -2.376 1.00 0.00 C ATOM 518 C HIS A 35 10.894 -7.772 -1.078 1.00 0.00 C ATOM 519 O HIS A 35 11.332 -8.865 -0.717 1.00 0.00 O ATOM 520 CB HIS A 35 11.007 -7.097 -3.484 1.00 0.00 C ATOM 521 CG HIS A 35 12.210 -7.951 -3.744 1.00 0.00 C ATOM 522 ND1 HIS A 35 13.478 -7.613 -3.322 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.332 -9.136 -4.386 1.00 0.00 C ATOM 524 CE1 HIS A 35 14.329 -8.552 -3.695 1.00 0.00 C ATOM 525 NE2 HIS A 35 13.659 -9.489 -4.342 1.00 0.00 N ATOM 0 H HIS A 35 9.131 -5.777 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 35 9.738 -8.622 -2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.428 -7.009 -4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.335 -6.092 -3.217 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.534 -9.700 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.392 -8.553 -3.504 1.00 0.00 H new ATOM 0 HE2 HIS A 35 14.061 -10.336 -4.743 1.00 0.00 H new ATOM 533 N LYS A 36 11.075 -6.656 -0.381 1.00 0.00 N ATOM 534 CA LYS A 36 11.813 -6.649 0.876 1.00 0.00 C ATOM 535 C LYS A 36 11.370 -5.488 1.761 1.00 0.00 C ATOM 536 O LYS A 36 11.004 -4.423 1.265 1.00 0.00 O ATOM 537 CB LYS A 36 13.317 -6.555 0.608 1.00 0.00 C ATOM 538 CG LYS A 36 13.785 -5.153 0.255 1.00 0.00 C ATOM 539 CD LYS A 36 14.183 -4.370 1.495 1.00 0.00 C ATOM 540 CE LYS A 36 15.575 -4.753 1.974 1.00 0.00 C ATOM 541 NZ LYS A 36 15.536 -5.881 2.946 1.00 0.00 N ATOM 0 H LYS A 36 10.720 -5.743 -0.666 1.00 0.00 H new ATOM 0 HA LYS A 36 11.601 -7.582 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.857 -6.898 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.575 -7.231 -0.207 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.633 -5.212 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.990 -4.624 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 36 14.153 -3.302 1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.460 -4.554 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.190 -5.032 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.050 -3.889 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.162 -5.669 3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.563 -6.009 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.856 -6.753 2.478 1.00 0.00 H new ATOM 555 N GLU A 37 11.408 -5.702 3.072 1.00 0.00 N ATOM 556 CA GLU A 37 11.011 -4.672 4.025 1.00 0.00 C ATOM 557 C GLU A 37 12.206 -3.811 4.425 1.00 0.00 C ATOM 558 O GLU A 37 13.184 -4.307 4.984 1.00 0.00 O ATOM 559 CB GLU A 37 10.388 -5.309 5.269 1.00 0.00 C ATOM 560 CG GLU A 37 9.027 -5.934 5.016 1.00 0.00 C ATOM 561 CD GLU A 37 9.097 -7.127 4.082 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.902 -8.043 4.351 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.348 -7.144 3.083 1.00 0.00 O ATOM 0 H GLU A 37 11.709 -6.578 3.498 1.00 0.00 H new ATOM 0 HA GLU A 37 10.270 -4.034 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.064 -6.073 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.291 -4.550 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.592 -6.246 5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.360 -5.184 4.591 1.00 0.00 H new ATOM 570 N VAL A 38 12.118 -2.516 4.135 1.00 0.00 N ATOM 571 CA VAL A 38 13.191 -1.585 4.464 1.00 0.00 C ATOM 572 C VAL A 38 13.228 -1.297 5.961 1.00 0.00 C ATOM 573 O VAL A 38 14.176 -1.670 6.652 1.00 0.00 O ATOM 574 CB VAL A 38 13.035 -0.257 3.701 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.266 0.617 3.891 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.780 -0.519 2.224 1.00 0.00 C ATOM 0 H VAL A 38 11.315 -2.089 3.673 1.00 0.00 H new ATOM 0 HA VAL A 38 14.125 -2.060 4.165 1.00 0.00 H new ATOM 0 HB VAL A 38 12.175 0.276 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.137 1.551 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.399 0.832 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.145 0.094 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.672 0.430 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.619 -1.073 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.866 -1.102 2.110 1.00 0.00 H new ATOM 586 N ASP A 39 12.190 -0.631 6.455 1.00 0.00 N ATOM 587 CA ASP A 39 12.103 -0.294 7.872 1.00 0.00 C ATOM 588 C ASP A 39 10.807 -0.824 8.477 1.00 0.00 C ATOM 589 O ASP A 39 9.969 -1.393 7.778 1.00 0.00 O ATOM 590 CB ASP A 39 12.187 1.221 8.063 1.00 0.00 C ATOM 591 CG ASP A 39 13.617 1.712 8.173 1.00 0.00 C ATOM 592 OD1 ASP A 39 14.352 1.209 9.049 1.00 0.00 O ATOM 593 OD2 ASP A 39 14.002 2.599 7.382 1.00 0.00 O ATOM 0 H ASP A 39 11.398 -0.314 5.896 1.00 0.00 H new ATOM 0 HA ASP A 39 12.942 -0.764 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.699 1.718 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.639 1.502 8.963 1.00 0.00 H new ATOM 598 N LYS A 40 10.650 -0.635 9.783 1.00 0.00 N ATOM 599 CA LYS A 40 9.457 -1.094 10.485 1.00 0.00 C ATOM 600 C LYS A 40 8.226 -0.313 10.034 1.00 0.00 C ATOM 601 O LYS A 40 7.095 -0.759 10.219 1.00 0.00 O ATOM 602 CB LYS A 40 9.641 -0.947 11.997 1.00 0.00 C ATOM 603 CG LYS A 40 10.501 -2.036 12.614 1.00 0.00 C ATOM 604 CD LYS A 40 9.668 -3.236 13.029 1.00 0.00 C ATOM 605 CE LYS A 40 9.403 -4.165 11.854 1.00 0.00 C ATOM 606 NZ LYS A 40 9.044 -5.539 12.302 1.00 0.00 N ATOM 0 H LYS A 40 11.334 -0.167 10.377 1.00 0.00 H new ATOM 0 HA LYS A 40 9.307 -2.146 10.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.092 0.023 12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.662 -0.954 12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.261 -2.350 11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.026 -1.638 13.483 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.185 -3.783 13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.720 -2.895 13.446 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.595 -3.759 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.288 -4.210 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.871 -6.141 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.825 -5.937 12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.184 -5.500 12.886 1.00 0.00 H new ATOM 620 N ASN A 41 8.456 0.853 9.439 1.00 0.00 N ATOM 621 CA ASN A 41 7.366 1.695 8.961 1.00 0.00 C ATOM 622 C ASN A 41 7.393 1.808 7.440 1.00 0.00 C ATOM 623 O ASN A 41 6.348 1.837 6.791 1.00 0.00 O ATOM 624 CB ASN A 41 7.456 3.088 9.589 1.00 0.00 C ATOM 625 CG ASN A 41 6.662 3.194 10.877 1.00 0.00 C ATOM 626 OD1 ASN A 41 7.214 3.490 11.936 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.359 2.951 10.790 1.00 0.00 N ATOM 0 H ASN A 41 9.387 1.236 9.276 1.00 0.00 H new ATOM 0 HA ASN A 41 6.425 1.231 9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.501 3.327 9.789 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.090 3.829 8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.773 3.007 11.623 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.944 2.709 9.890 1.00 0.00 H new ATOM 634 N TRP A 42 8.595 1.871 6.878 1.00 0.00 N ATOM 635 CA TRP A 42 8.759 1.981 5.433 1.00 0.00 C ATOM 636 C TRP A 42 8.935 0.605 4.800 1.00 0.00 C ATOM 637 O TRP A 42 9.348 -0.347 5.463 1.00 0.00 O ATOM 638 CB TRP A 42 9.961 2.866 5.101 1.00 0.00 C ATOM 639 CG TRP A 42 9.795 4.286 5.551 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.021 4.780 6.805 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.367 5.394 4.752 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.758 6.128 6.833 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.356 6.530 5.586 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.993 5.538 3.414 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.986 7.789 5.123 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.625 6.789 2.956 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.624 7.901 3.808 1.00 0.00 C ATOM 0 H TRP A 42 9.470 1.848 7.401 1.00 0.00 H new ATOM 0 HA TRP A 42 7.858 2.437 5.023 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.852 2.446 5.568 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.128 2.851 4.024 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.357 4.197 7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.847 6.732 7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.991 4.687 2.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.985 8.647 5.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.333 6.911 1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.332 8.865 3.420 1.00 0.00 H new ATOM 658 N LEU A 43 8.619 0.506 3.513 1.00 0.00 N ATOM 659 CA LEU A 43 8.742 -0.755 2.790 1.00 0.00 C ATOM 660 C LEU A 43 9.304 -0.526 1.390 1.00 0.00 C ATOM 661 O LEU A 43 9.252 0.585 0.864 1.00 0.00 O ATOM 662 CB LEU A 43 7.382 -1.449 2.699 1.00 0.00 C ATOM 663 CG LEU A 43 6.573 -1.512 3.995 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.179 -2.058 3.728 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.292 -2.363 5.031 1.00 0.00 C ATOM 0 H LEU A 43 8.276 1.284 2.949 1.00 0.00 H new ATOM 0 HA LEU A 43 9.433 -1.395 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.784 -0.936 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.539 -2.467 2.342 1.00 0.00 H new ATOM 0 HG LEU A 43 6.475 -0.501 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.618 -2.096 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.663 -1.409 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.255 -3.062 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.702 -2.397 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.421 -3.374 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.269 -1.929 5.244 1.00 0.00 H new ATOM 677 N GLU A 44 9.838 -1.587 0.792 1.00 0.00 N ATOM 678 CA GLU A 44 10.408 -1.501 -0.547 1.00 0.00 C ATOM 679 C GLU A 44 9.482 -2.146 -1.575 1.00 0.00 C ATOM 680 O GLU A 44 8.644 -2.980 -1.234 1.00 0.00 O ATOM 681 CB GLU A 44 11.780 -2.176 -0.586 1.00 0.00 C ATOM 682 CG GLU A 44 12.690 -1.645 -1.681 1.00 0.00 C ATOM 683 CD GLU A 44 14.158 -1.728 -1.312 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.698 -2.853 -1.271 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.768 -0.666 -1.064 1.00 0.00 O ATOM 0 H GLU A 44 9.888 -2.515 1.213 1.00 0.00 H new ATOM 0 HA GLU A 44 10.523 -0.447 -0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.269 -2.041 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.644 -3.248 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.517 -2.210 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.431 -0.608 -1.892 1.00 0.00 H new ATOM 692 N GLY A 45 9.641 -1.753 -2.835 1.00 0.00 N ATOM 693 CA GLY A 45 8.813 -2.302 -3.893 1.00 0.00 C ATOM 694 C GLY A 45 9.335 -1.960 -5.274 1.00 0.00 C ATOM 695 O GLY A 45 10.095 -1.007 -5.438 1.00 0.00 O ATOM 0 H GLY A 45 10.328 -1.065 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.762 -3.385 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.796 -1.923 -3.788 1.00 0.00 H new ATOM 699 N GLU A 46 8.927 -2.741 -6.270 1.00 0.00 N ATOM 700 CA GLU A 46 9.361 -2.517 -7.643 1.00 0.00 C ATOM 701 C GLU A 46 8.196 -2.678 -8.616 1.00 0.00 C ATOM 702 O GLU A 46 7.418 -3.628 -8.518 1.00 0.00 O ATOM 703 CB GLU A 46 10.485 -3.488 -8.011 1.00 0.00 C ATOM 704 CG GLU A 46 10.902 -3.412 -9.470 1.00 0.00 C ATOM 705 CD GLU A 46 10.111 -4.358 -10.353 1.00 0.00 C ATOM 706 OE1 GLU A 46 8.992 -4.744 -9.957 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.613 -4.713 -11.440 1.00 0.00 O ATOM 0 H GLU A 46 8.297 -3.534 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 46 9.734 -1.496 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.352 -3.282 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.163 -4.505 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.771 -2.391 -9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.963 -3.645 -9.553 1.00 0.00 H new ATOM 714 N HIS A 47 8.082 -1.743 -9.554 1.00 0.00 N ATOM 715 CA HIS A 47 7.012 -1.781 -10.544 1.00 0.00 C ATOM 716 C HIS A 47 7.568 -1.584 -11.951 1.00 0.00 C ATOM 717 O HIS A 47 8.571 -0.895 -12.143 1.00 0.00 O ATOM 718 CB HIS A 47 5.968 -0.706 -10.240 1.00 0.00 C ATOM 719 CG HIS A 47 4.810 -0.710 -11.189 1.00 0.00 C ATOM 720 ND1 HIS A 47 4.741 0.109 -12.296 1.00 0.00 N ATOM 721 CD2 HIS A 47 3.671 -1.442 -11.193 1.00 0.00 C ATOM 722 CE1 HIS A 47 3.609 -0.117 -12.939 1.00 0.00 C ATOM 723 NE2 HIS A 47 2.942 -1.055 -12.290 1.00 0.00 N ATOM 0 H HIS A 47 8.717 -0.950 -9.649 1.00 0.00 H new ATOM 0 HA HIS A 47 6.538 -2.761 -10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.596 -0.849 -9.225 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.447 0.273 -10.269 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.389 -2.191 -10.468 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.284 0.380 -13.841 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.033 -1.431 -12.560 1.00 0.00 H new ATOM 731 N HIS A 48 6.910 -2.192 -12.933 1.00 0.00 N ATOM 732 CA HIS A 48 7.338 -2.083 -14.323 1.00 0.00 C ATOM 733 C HIS A 48 7.456 -0.621 -14.742 1.00 0.00 C ATOM 734 O HIS A 48 6.452 0.048 -14.987 1.00 0.00 O ATOM 735 CB HIS A 48 6.356 -2.811 -15.240 1.00 0.00 C ATOM 736 CG HIS A 48 6.109 -4.234 -14.844 1.00 0.00 C ATOM 737 ND1 HIS A 48 4.847 -4.787 -14.769 1.00 0.00 N ATOM 738 CD2 HIS A 48 6.970 -5.221 -14.502 1.00 0.00 C ATOM 739 CE1 HIS A 48 4.944 -6.050 -14.396 1.00 0.00 C ATOM 740 NE2 HIS A 48 6.222 -6.339 -14.228 1.00 0.00 N ATOM 0 H HIS A 48 6.078 -2.765 -12.792 1.00 0.00 H new ATOM 0 HA HIS A 48 8.320 -2.549 -14.412 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.408 -2.274 -15.243 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.739 -2.788 -16.260 1.00 0.00 H new ATOM 0 HD2 HIS A 48 8.046 -5.143 -14.454 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.118 -6.731 -14.253 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.593 -7.245 -13.941 1.00 0.00 H new ATOM 748 N GLY A 49 8.689 -0.130 -14.823 1.00 0.00 N ATOM 749 CA GLY A 49 8.915 1.250 -15.212 1.00 0.00 C ATOM 750 C GLY A 49 9.359 2.115 -14.049 1.00 0.00 C ATOM 751 O GLY A 49 10.237 2.964 -14.198 1.00 0.00 O ATOM 0 H GLY A 49 9.536 -0.664 -14.626 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.672 1.284 -15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.998 1.660 -15.636 1.00 0.00 H new ATOM 755 N ARG A 50 8.750 1.899 -12.887 1.00 0.00 N ATOM 756 CA ARG A 50 9.086 2.668 -11.694 1.00 0.00 C ATOM 757 C ARG A 50 9.397 1.743 -10.521 1.00 0.00 C ATOM 758 O ARG A 50 8.662 0.791 -10.255 1.00 0.00 O ATOM 759 CB ARG A 50 7.936 3.607 -11.326 1.00 0.00 C ATOM 760 CG ARG A 50 6.617 2.890 -11.086 1.00 0.00 C ATOM 761 CD ARG A 50 5.486 3.874 -10.833 1.00 0.00 C ATOM 762 NE ARG A 50 5.168 4.659 -12.022 1.00 0.00 N ATOM 763 CZ ARG A 50 4.368 4.232 -12.993 1.00 0.00 C ATOM 764 NH1 ARG A 50 3.809 3.032 -12.916 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.127 5.004 -14.045 1.00 0.00 N ATOM 0 H ARG A 50 8.022 1.198 -12.746 1.00 0.00 H new ATOM 0 HA ARG A 50 9.974 3.261 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.206 4.164 -10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.803 4.336 -12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.376 2.271 -11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.716 2.220 -10.232 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.598 3.331 -10.509 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.764 4.544 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 50 5.583 5.586 -12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.993 2.435 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.195 2.706 -13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.556 5.927 -14.109 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.513 4.674 -14.789 1.00 0.00 H new ATOM 779 N LEU A 51 10.491 2.029 -9.823 1.00 0.00 N ATOM 780 CA LEU A 51 10.900 1.223 -8.678 1.00 0.00 C ATOM 781 C LEU A 51 11.630 2.076 -7.646 1.00 0.00 C ATOM 782 O LEU A 51 12.454 2.921 -7.994 1.00 0.00 O ATOM 783 CB LEU A 51 11.799 0.073 -9.135 1.00 0.00 C ATOM 784 CG LEU A 51 13.254 0.436 -9.433 1.00 0.00 C ATOM 785 CD1 LEU A 51 14.136 -0.802 -9.374 1.00 0.00 C ATOM 786 CD2 LEU A 51 13.368 1.110 -10.793 1.00 0.00 C ATOM 0 H LEU A 51 11.110 2.813 -10.030 1.00 0.00 H new ATOM 0 HA LEU A 51 10.003 0.812 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.788 -0.698 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.364 -0.367 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 51 13.596 1.138 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 51 15.168 -0.524 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 51 14.078 -1.243 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.795 -1.528 -10.112 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.410 1.361 -10.988 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.007 0.432 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.768 2.020 -10.800 1.00 0.00 H new ATOM 798 N GLY A 52 11.324 1.846 -6.372 1.00 0.00 N ATOM 799 CA GLY A 52 11.962 2.599 -5.308 1.00 0.00 C ATOM 800 C GLY A 52 11.456 2.205 -3.935 1.00 0.00 C ATOM 801 O GLY A 52 11.474 1.027 -3.574 1.00 0.00 O ATOM 0 H GLY A 52 10.646 1.152 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.040 2.443 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.787 3.663 -5.465 1.00 0.00 H new ATOM 805 N ILE A 53 11.004 3.190 -3.167 1.00 0.00 N ATOM 806 CA ILE A 53 10.492 2.940 -1.826 1.00 0.00 C ATOM 807 C ILE A 53 9.188 3.693 -1.586 1.00 0.00 C ATOM 808 O ILE A 53 8.891 4.675 -2.267 1.00 0.00 O ATOM 809 CB ILE A 53 11.513 3.347 -0.747 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.856 4.833 -0.875 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.769 2.497 -0.859 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.670 5.367 0.283 1.00 0.00 C ATOM 0 H ILE A 53 10.982 4.169 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 53 10.309 1.868 -1.754 1.00 0.00 H new ATOM 0 HB ILE A 53 11.070 3.178 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.409 4.992 -1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.932 5.406 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.481 2.797 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.511 1.447 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.217 2.638 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.876 6.426 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.111 5.240 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.611 4.820 0.349 1.00 0.00 H new ATOM 824 N PHE A 54 8.413 3.229 -0.611 1.00 0.00 N ATOM 825 CA PHE A 54 7.141 3.859 -0.280 1.00 0.00 C ATOM 826 C PHE A 54 6.729 3.532 1.153 1.00 0.00 C ATOM 827 O PHE A 54 7.093 2.496 1.710 1.00 0.00 O ATOM 828 CB PHE A 54 6.052 3.401 -1.252 1.00 0.00 C ATOM 829 CG PHE A 54 5.688 1.951 -1.105 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.413 0.971 -1.764 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.621 1.568 -0.309 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.080 -0.364 -1.631 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.283 0.235 -0.172 1.00 0.00 C ATOM 834 CZ PHE A 54 5.014 -0.732 -0.833 1.00 0.00 C ATOM 0 H PHE A 54 8.644 2.419 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 54 7.265 4.938 -0.367 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.160 4.009 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.388 3.581 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.248 1.253 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.046 2.320 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.652 -1.118 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.448 -0.050 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.753 -1.775 -0.726 1.00 0.00 H new ATOM 844 N PRO A 55 5.951 4.437 1.765 1.00 0.00 N ATOM 845 CA PRO A 55 5.472 4.269 3.140 1.00 0.00 C ATOM 846 C PRO A 55 4.439 3.154 3.262 1.00 0.00 C ATOM 847 O PRO A 55 3.679 2.894 2.329 1.00 0.00 O ATOM 848 CB PRO A 55 4.837 5.624 3.463 1.00 0.00 C ATOM 849 CG PRO A 55 4.446 6.184 2.140 1.00 0.00 C ATOM 850 CD PRO A 55 5.478 5.695 1.162 1.00 0.00 C ATOM 0 HA PRO A 55 6.276 3.987 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.972 5.510 4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.541 6.278 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.449 5.850 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.421 7.273 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.049 5.530 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.289 6.413 1.042 1.00 0.00 H new ATOM 858 N ALA A 56 4.416 2.498 4.417 1.00 0.00 N ATOM 859 CA ALA A 56 3.474 1.413 4.661 1.00 0.00 C ATOM 860 C ALA A 56 2.085 1.953 4.984 1.00 0.00 C ATOM 861 O ALA A 56 1.091 1.527 4.397 1.00 0.00 O ATOM 862 CB ALA A 56 3.973 0.525 5.792 1.00 0.00 C ATOM 0 H ALA A 56 5.039 2.699 5.199 1.00 0.00 H new ATOM 0 HA ALA A 56 3.401 0.818 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.260 -0.281 5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.941 0.102 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.076 1.117 6.701 1.00 0.00 H new ATOM 868 N ASN A 57 2.024 2.893 5.922 1.00 0.00 N ATOM 869 CA ASN A 57 0.756 3.491 6.323 1.00 0.00 C ATOM 870 C ASN A 57 -0.094 3.835 5.103 1.00 0.00 C ATOM 871 O ASN A 57 -1.266 3.468 5.027 1.00 0.00 O ATOM 872 CB ASN A 57 1.003 4.749 7.158 1.00 0.00 C ATOM 873 CG ASN A 57 1.861 5.766 6.431 1.00 0.00 C ATOM 874 OD1 ASN A 57 3.175 5.585 6.495 1.00 0.00 O flip ATOM 875 ND2 ASN A 57 1.349 6.703 5.820 1.00 0.00 N flip ATOM 0 H ASN A 57 2.838 3.257 6.418 1.00 0.00 H new ATOM 0 HA ASN A 57 0.214 2.763 6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.047 5.203 7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.488 4.471 8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.334 6.803 5.797 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.939 7.380 5.336 1.00 0.00 H new ATOM 882 N TYR A 58 0.507 4.541 4.152 1.00 0.00 N ATOM 883 CA TYR A 58 -0.195 4.937 2.936 1.00 0.00 C ATOM 884 C TYR A 58 -1.066 3.799 2.415 1.00 0.00 C ATOM 885 O TYR A 58 -2.124 4.029 1.829 1.00 0.00 O ATOM 886 CB TYR A 58 0.806 5.362 1.860 1.00 0.00 C ATOM 887 CG TYR A 58 1.142 6.836 1.894 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.990 7.353 2.865 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.610 7.711 0.955 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.299 8.700 2.899 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.914 9.058 0.981 1.00 0.00 C ATOM 892 CZ TYR A 58 1.759 9.548 1.955 1.00 0.00 C ATOM 893 OH TYR A 58 2.064 10.889 1.986 1.00 0.00 O ATOM 0 H TYR A 58 1.478 4.851 4.199 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.840 5.782 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.723 4.786 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.400 5.113 0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.415 6.692 3.606 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.053 7.331 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.960 9.086 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.492 9.724 0.243 1.00 0.00 H new ATOM 0 HH TYR A 58 1.603 11.346 1.252 1.00 0.00 H new ATOM 903 N VAL A 59 -0.613 2.568 2.633 1.00 0.00 N ATOM 904 CA VAL A 59 -1.351 1.392 2.188 1.00 0.00 C ATOM 905 C VAL A 59 -1.748 0.512 3.368 1.00 0.00 C ATOM 906 O VAL A 59 -0.947 0.270 4.270 1.00 0.00 O ATOM 907 CB VAL A 59 -0.526 0.555 1.192 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.166 1.383 -0.032 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.726 0.011 1.864 1.00 0.00 C ATOM 0 H VAL A 59 0.261 2.360 3.115 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.251 1.753 1.690 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.132 -0.290 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.417 0.775 -0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.078 1.720 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.422 2.248 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.297 -0.578 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.337 0.840 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.442 -0.620 2.707 1.00 0.00 H new ATOM 919 N GLU A 60 -2.989 0.036 3.354 1.00 0.00 N ATOM 920 CA GLU A 60 -3.491 -0.817 4.424 1.00 0.00 C ATOM 921 C GLU A 60 -3.790 -2.221 3.906 1.00 0.00 C ATOM 922 O GLU A 60 -4.578 -2.397 2.977 1.00 0.00 O ATOM 923 CB GLU A 60 -4.753 -0.210 5.041 1.00 0.00 C ATOM 924 CG GLU A 60 -5.124 -0.813 6.385 1.00 0.00 C ATOM 925 CD GLU A 60 -5.753 -2.187 6.255 1.00 0.00 C ATOM 926 OE1 GLU A 60 -6.475 -2.418 5.262 1.00 0.00 O ATOM 927 OE2 GLU A 60 -5.522 -3.031 7.145 1.00 0.00 O ATOM 0 H GLU A 60 -3.665 0.227 2.614 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.719 -0.888 5.190 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.608 0.864 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.585 -0.344 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.231 -0.884 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.818 -0.147 6.899 1.00 0.00 H new ATOM 934 N VAL A 61 -3.154 -3.218 4.514 1.00 0.00 N ATOM 935 CA VAL A 61 -3.352 -4.606 4.116 1.00 0.00 C ATOM 936 C VAL A 61 -4.826 -4.991 4.176 1.00 0.00 C ATOM 937 O VAL A 61 -5.452 -4.928 5.235 1.00 0.00 O ATOM 938 CB VAL A 61 -2.545 -5.567 5.009 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.779 -7.010 4.590 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.064 -5.222 4.960 1.00 0.00 C ATOM 0 H VAL A 61 -2.497 -3.090 5.284 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.999 -4.693 3.089 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.888 -5.453 6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.200 -7.674 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.839 -7.248 4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.466 -7.144 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.509 -5.911 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.705 -5.306 3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.916 -4.202 5.314 1.00 0.00 H new ATOM 950 N LEU A 62 -5.375 -5.390 3.034 1.00 0.00 N ATOM 951 CA LEU A 62 -6.776 -5.786 2.956 1.00 0.00 C ATOM 952 C LEU A 62 -6.915 -7.305 2.981 1.00 0.00 C ATOM 953 O LEU A 62 -5.920 -8.030 2.951 1.00 0.00 O ATOM 954 CB LEU A 62 -7.416 -5.225 1.685 1.00 0.00 C ATOM 955 CG LEU A 62 -6.641 -5.454 0.387 1.00 0.00 C ATOM 956 CD1 LEU A 62 -7.595 -5.555 -0.794 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.631 -4.338 0.164 1.00 0.00 C ATOM 0 H LEU A 62 -4.871 -5.448 2.149 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.292 -5.378 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.407 -5.666 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.557 -4.152 1.816 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.099 -6.396 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.025 -5.718 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.279 -6.389 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.165 -4.630 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.089 -4.518 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.152 -3.383 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.927 -4.313 0.996 1.00 0.00 H new ATOM 969 N SER A 63 -8.155 -7.780 3.033 1.00 0.00 N ATOM 970 CA SER A 63 -8.424 -9.213 3.064 1.00 0.00 C ATOM 971 C SER A 63 -9.352 -9.616 1.922 1.00 0.00 C ATOM 972 O SER A 63 -10.158 -8.815 1.450 1.00 0.00 O ATOM 973 CB SER A 63 -9.045 -9.609 4.404 1.00 0.00 C ATOM 974 OG SER A 63 -8.054 -9.728 5.410 1.00 0.00 O ATOM 0 H SER A 63 -8.989 -7.194 3.055 1.00 0.00 H new ATOM 0 HA SER A 63 -7.476 -9.738 2.942 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.782 -8.863 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.575 -10.556 4.297 1.00 0.00 H new ATOM 0 HG SER A 63 -8.477 -9.980 6.257 1.00 0.00 H new ATOM 980 N GLY A 64 -9.231 -10.865 1.481 1.00 0.00 N ATOM 981 CA GLY A 64 -10.065 -11.353 0.398 1.00 0.00 C ATOM 982 C GLY A 64 -10.501 -12.790 0.605 1.00 0.00 C ATOM 983 O GLY A 64 -9.771 -13.609 1.163 1.00 0.00 O ATOM 0 H GLY A 64 -8.571 -11.547 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.947 -10.718 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.518 -11.274 -0.542 1.00 0.00 H new ATOM 987 N PRO A 65 -11.721 -13.113 0.150 1.00 0.00 N ATOM 988 CA PRO A 65 -12.282 -14.461 0.279 1.00 0.00 C ATOM 989 C PRO A 65 -11.573 -15.472 -0.617 1.00 0.00 C ATOM 990 O PRO A 65 -11.515 -15.303 -1.835 1.00 0.00 O ATOM 991 CB PRO A 65 -13.737 -14.284 -0.163 1.00 0.00 C ATOM 992 CG PRO A 65 -13.717 -13.096 -1.062 1.00 0.00 C ATOM 993 CD PRO A 65 -12.646 -12.187 -0.525 1.00 0.00 C ATOM 0 HA PRO A 65 -12.174 -14.852 1.291 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.103 -15.169 -0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.394 -14.123 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.501 -13.388 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.686 -12.596 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.150 -11.634 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.054 -11.450 0.167 1.00 0.00 H new ATOM 1001 N SER A 66 -11.036 -16.522 -0.005 1.00 0.00 N ATOM 1002 CA SER A 66 -10.327 -17.559 -0.747 1.00 0.00 C ATOM 1003 C SER A 66 -11.027 -17.854 -2.071 1.00 0.00 C ATOM 1004 O SER A 66 -10.390 -17.909 -3.123 1.00 0.00 O ATOM 1005 CB SER A 66 -10.230 -18.837 0.088 1.00 0.00 C ATOM 1006 OG SER A 66 -11.503 -19.225 0.576 1.00 0.00 O ATOM 0 H SER A 66 -11.078 -16.678 1.002 1.00 0.00 H new ATOM 0 HA SER A 66 -9.322 -17.196 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.809 -19.640 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.549 -18.678 0.924 1.00 0.00 H new ATOM 0 HG SER A 66 -11.414 -20.045 1.105 1.00 0.00 H new ATOM 1012 N SER A 67 -12.341 -18.042 -2.009 1.00 0.00 N ATOM 1013 CA SER A 67 -13.128 -18.336 -3.201 1.00 0.00 C ATOM 1014 C SER A 67 -14.238 -17.306 -3.386 1.00 0.00 C ATOM 1015 O SER A 67 -14.721 -16.717 -2.420 1.00 0.00 O ATOM 1016 CB SER A 67 -13.728 -19.740 -3.109 1.00 0.00 C ATOM 1017 OG SER A 67 -12.730 -20.733 -3.264 1.00 0.00 O ATOM 0 H SER A 67 -12.883 -17.996 -1.146 1.00 0.00 H new ATOM 0 HA SER A 67 -12.465 -18.289 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.223 -19.865 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.491 -19.864 -3.878 1.00 0.00 H new ATOM 0 HG SER A 67 -13.139 -21.621 -3.199 1.00 0.00 H new ATOM 1023 N GLY A 68 -14.639 -17.094 -4.636 1.00 0.00 N ATOM 1024 CA GLY A 68 -15.689 -16.136 -4.926 1.00 0.00 C ATOM 1025 C GLY A 68 -17.071 -16.755 -4.867 1.00 0.00 C ATOM 1026 O GLY A 68 -17.210 -17.960 -4.657 1.00 0.00 O ATOM 0 H GLY A 68 -14.255 -17.569 -5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.632 -15.313 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.526 -15.712 -5.917 1.00 0.00 H new TER 1030 GLY A 68