USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 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 53 ASN : amide:sc= -0.0756 X(o=-0.083,f=-0.096) USER MOD Set 1.2: A 55 ASN :FLIP amide:sc=-0.00707 X(o=-0.35,f=-0.083) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0394 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.383 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.121) USER MOD Single : A 13 ASN : amide:sc= -0.12 K(o=-0.12,f=-1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.037) USER MOD Single : A 20 ASN : amide:sc= -0.917 K(o=-0.92,f=-2.1) USER MOD Single : A 22 MET CE :methyl 177:sc= -1.06 (180deg=-1.1) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 33 TYR OH : rot 15:sc= -0.131 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -49:sc= 0.174 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 43 SER OG : rot 180:sc= -0.241 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.432 4.992 19.849 1.00 0.00 N ATOM 2 CA GLY A 1 -16.591 4.845 18.414 1.00 0.00 C ATOM 3 C GLY A 1 -16.042 6.031 17.646 1.00 0.00 C ATOM 4 O GLY A 1 -15.916 7.128 18.191 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.578 4.486 20.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.342 6.000 20.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.263 4.595 20.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.084 3.937 18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.648 4.722 18.179 1.00 0.00 H new ATOM 8 N SER A 2 -15.713 5.811 16.377 1.00 0.00 N ATOM 9 CA SER A 2 -15.169 6.870 15.534 1.00 0.00 C ATOM 10 C SER A 2 -15.965 6.996 14.239 1.00 0.00 C ATOM 11 O SER A 2 -16.110 6.030 13.490 1.00 0.00 O ATOM 12 CB SER A 2 -13.698 6.593 15.217 1.00 0.00 C ATOM 13 OG SER A 2 -13.043 7.768 14.770 1.00 0.00 O ATOM 0 H SER A 2 -15.813 4.910 15.910 1.00 0.00 H new ATOM 0 HA SER A 2 -15.245 7.810 16.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.197 6.209 16.106 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.627 5.820 14.452 1.00 0.00 H new ATOM 0 HG SER A 2 -12.104 7.565 14.576 1.00 0.00 H new ATOM 19 N SER A 3 -16.479 8.194 13.982 1.00 0.00 N ATOM 20 CA SER A 3 -17.264 8.447 12.779 1.00 0.00 C ATOM 21 C SER A 3 -17.143 9.906 12.348 1.00 0.00 C ATOM 22 O SER A 3 -17.277 10.819 13.162 1.00 0.00 O ATOM 23 CB SER A 3 -18.733 8.096 13.021 1.00 0.00 C ATOM 24 OG SER A 3 -18.924 6.692 13.049 1.00 0.00 O ATOM 0 H SER A 3 -16.366 9.005 14.590 1.00 0.00 H new ATOM 0 HA SER A 3 -16.873 7.817 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.063 8.530 13.965 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.349 8.534 12.236 1.00 0.00 H new ATOM 0 HG SER A 3 -18.053 6.243 13.047 1.00 0.00 H new ATOM 30 N GLY A 4 -16.887 10.117 11.061 1.00 0.00 N ATOM 31 CA GLY A 4 -16.751 11.466 10.543 1.00 0.00 C ATOM 32 C GLY A 4 -15.464 11.662 9.766 1.00 0.00 C ATOM 33 O GLY A 4 -14.377 11.672 10.345 1.00 0.00 O ATOM 0 H GLY A 4 -16.771 9.378 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.600 11.691 9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.784 12.175 11.371 1.00 0.00 H new ATOM 37 N SER A 5 -15.585 11.816 8.452 1.00 0.00 N ATOM 38 CA SER A 5 -14.421 12.007 7.594 1.00 0.00 C ATOM 39 C SER A 5 -14.586 13.249 6.724 1.00 0.00 C ATOM 40 O SER A 5 -15.688 13.776 6.577 1.00 0.00 O ATOM 41 CB SER A 5 -14.205 10.777 6.711 1.00 0.00 C ATOM 42 OG SER A 5 -15.168 10.718 5.674 1.00 0.00 O ATOM 0 H SER A 5 -16.477 11.812 7.958 1.00 0.00 H new ATOM 0 HA SER A 5 -13.548 12.145 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.204 10.806 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.265 9.874 7.319 1.00 0.00 H new ATOM 0 HG SER A 5 -15.007 9.924 5.123 1.00 0.00 H new ATOM 48 N SER A 6 -13.480 13.712 6.149 1.00 0.00 N ATOM 49 CA SER A 6 -13.500 14.894 5.295 1.00 0.00 C ATOM 50 C SER A 6 -12.131 15.133 4.666 1.00 0.00 C ATOM 51 O SER A 6 -11.141 14.511 5.050 1.00 0.00 O ATOM 52 CB SER A 6 -13.924 16.124 6.101 1.00 0.00 C ATOM 53 OG SER A 6 -12.905 16.519 7.003 1.00 0.00 O ATOM 0 H SER A 6 -12.559 13.287 6.259 1.00 0.00 H new ATOM 0 HA SER A 6 -14.223 14.723 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.152 16.946 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.837 15.904 6.653 1.00 0.00 H new ATOM 0 HG SER A 6 -13.200 17.308 7.505 1.00 0.00 H new ATOM 59 N GLY A 7 -12.082 16.040 3.695 1.00 0.00 N ATOM 60 CA GLY A 7 -10.831 16.345 3.026 1.00 0.00 C ATOM 61 C GLY A 7 -11.001 16.525 1.531 1.00 0.00 C ATOM 62 O GLY A 7 -11.806 15.836 0.903 1.00 0.00 O ATOM 0 H GLY A 7 -12.887 16.569 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.407 17.254 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.118 15.542 3.213 1.00 0.00 H new ATOM 66 N PHE A 8 -10.243 17.453 0.958 1.00 0.00 N ATOM 67 CA PHE A 8 -10.315 17.723 -0.473 1.00 0.00 C ATOM 68 C PHE A 8 -10.056 16.454 -1.280 1.00 0.00 C ATOM 69 O PHE A 8 -9.539 15.467 -0.757 1.00 0.00 O ATOM 70 CB PHE A 8 -9.303 18.803 -0.862 1.00 0.00 C ATOM 71 CG PHE A 8 -9.843 20.200 -0.745 1.00 0.00 C ATOM 72 CD1 PHE A 8 -10.917 20.609 -1.518 1.00 0.00 C ATOM 73 CD2 PHE A 8 -9.276 21.104 0.139 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.415 21.894 -1.413 1.00 0.00 C ATOM 75 CE2 PHE A 8 -9.770 22.391 0.249 1.00 0.00 C ATOM 76 CZ PHE A 8 -10.841 22.785 -0.528 1.00 0.00 C ATOM 0 H PHE A 8 -9.571 18.031 1.463 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.320 18.078 -0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.421 18.709 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.978 18.632 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.371 19.916 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.438 20.800 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.252 22.201 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.319 23.086 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.229 23.789 -0.444 1.00 0.00 H new ATOM 86 N LYS A 9 -10.420 16.488 -2.557 1.00 0.00 N ATOM 87 CA LYS A 9 -10.228 15.342 -3.439 1.00 0.00 C ATOM 88 C LYS A 9 -9.095 15.600 -4.426 1.00 0.00 C ATOM 89 O LYS A 9 -9.243 16.382 -5.365 1.00 0.00 O ATOM 90 CB LYS A 9 -11.521 15.035 -4.198 1.00 0.00 C ATOM 91 CG LYS A 9 -12.709 14.763 -3.292 1.00 0.00 C ATOM 92 CD LYS A 9 -13.954 14.422 -4.093 1.00 0.00 C ATOM 93 CE LYS A 9 -14.628 15.673 -4.635 1.00 0.00 C ATOM 94 NZ LYS A 9 -15.632 16.221 -3.681 1.00 0.00 N ATOM 0 H LYS A 9 -10.850 17.297 -3.005 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.962 14.482 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.757 15.876 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.359 14.169 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.472 13.940 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.903 15.638 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.687 13.764 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.655 13.874 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.873 16.431 -4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.116 15.441 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.069 17.073 -4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.367 15.507 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.163 16.466 -2.786 1.00 0.00 H new ATOM 108 N ARG A 10 -7.964 14.936 -4.209 1.00 0.00 N ATOM 109 CA ARG A 10 -6.806 15.094 -5.080 1.00 0.00 C ATOM 110 C ARG A 10 -6.158 16.461 -4.882 1.00 0.00 C ATOM 111 O ARG A 10 -5.753 17.114 -5.844 1.00 0.00 O ATOM 112 CB ARG A 10 -7.215 14.918 -6.544 1.00 0.00 C ATOM 113 CG ARG A 10 -6.057 14.556 -7.460 1.00 0.00 C ATOM 114 CD ARG A 10 -5.810 13.055 -7.478 1.00 0.00 C ATOM 115 NE ARG A 10 -4.634 12.704 -8.269 1.00 0.00 N ATOM 116 CZ ARG A 10 -3.978 11.556 -8.141 1.00 0.00 C ATOM 117 NH1 ARG A 10 -4.382 10.653 -7.259 1.00 0.00 N ATOM 118 NH2 ARG A 10 -2.916 11.309 -8.898 1.00 0.00 N ATOM 0 H ARG A 10 -7.825 14.284 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.078 14.326 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.976 14.140 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.673 15.842 -6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.269 14.903 -8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.155 15.071 -7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.680 12.697 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.685 12.548 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.298 13.377 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.198 10.839 -6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.876 9.772 -7.163 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.603 12.001 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.413 10.427 -8.799 1.00 0.00 H new ATOM 132 N LYS A 11 -6.064 16.889 -3.628 1.00 0.00 N ATOM 133 CA LYS A 11 -5.465 18.178 -3.301 1.00 0.00 C ATOM 134 C LYS A 11 -4.009 18.231 -3.752 1.00 0.00 C ATOM 135 O LYS A 11 -3.586 19.185 -4.405 1.00 0.00 O ATOM 136 CB LYS A 11 -5.554 18.438 -1.796 1.00 0.00 C ATOM 137 CG LYS A 11 -4.871 19.723 -1.359 1.00 0.00 C ATOM 138 CD LYS A 11 -4.629 19.744 0.141 1.00 0.00 C ATOM 139 CE LYS A 11 -3.927 21.021 0.574 1.00 0.00 C ATOM 140 NZ LYS A 11 -2.538 21.098 0.043 1.00 0.00 N ATOM 0 H LYS A 11 -6.395 16.362 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.019 18.953 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.603 18.477 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.106 17.599 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.921 19.828 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.486 20.577 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.580 19.655 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.026 18.882 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.496 21.884 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.903 21.071 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.038 21.891 0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.037 20.210 0.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.567 21.247 -0.986 1.00 0.00 H new ATOM 154 N ALA A 12 -3.248 17.200 -3.400 1.00 0.00 N ATOM 155 CA ALA A 12 -1.840 17.129 -3.772 1.00 0.00 C ATOM 156 C ALA A 12 -1.332 15.692 -3.725 1.00 0.00 C ATOM 157 O ALA A 12 -1.910 14.841 -3.049 1.00 0.00 O ATOM 158 CB ALA A 12 -1.007 18.015 -2.857 1.00 0.00 C ATOM 0 H ALA A 12 -3.582 16.403 -2.858 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.742 17.489 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.042 17.952 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.346 19.047 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.120 17.681 -1.826 1.00 0.00 H new ATOM 164 N ASN A 13 -0.249 15.428 -4.448 1.00 0.00 N ATOM 165 CA ASN A 13 0.336 14.092 -4.489 1.00 0.00 C ATOM 166 C ASN A 13 1.222 13.848 -3.272 1.00 0.00 C ATOM 167 O ASN A 13 2.306 13.275 -3.384 1.00 0.00 O ATOM 168 CB ASN A 13 1.149 13.909 -5.772 1.00 0.00 C ATOM 169 CG ASN A 13 1.921 15.158 -6.151 1.00 0.00 C ATOM 170 OD1 ASN A 13 1.384 16.063 -6.789 1.00 0.00 O ATOM 171 ND2 ASN A 13 3.189 15.212 -5.759 1.00 0.00 N ATOM 0 H ASN A 13 0.242 16.121 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.477 13.366 -4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.845 13.080 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.479 13.638 -6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.758 16.027 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.593 14.438 -5.232 1.00 0.00 H new ATOM 178 N LYS A 14 0.754 14.287 -2.109 1.00 0.00 N ATOM 179 CA LYS A 14 1.502 14.116 -0.869 1.00 0.00 C ATOM 180 C LYS A 14 1.122 12.809 -0.180 1.00 0.00 C ATOM 181 O LYS A 14 1.975 11.959 0.072 1.00 0.00 O ATOM 182 CB LYS A 14 1.245 15.295 0.073 1.00 0.00 C ATOM 183 CG LYS A 14 1.885 16.593 -0.389 1.00 0.00 C ATOM 184 CD LYS A 14 3.348 16.668 0.014 1.00 0.00 C ATOM 185 CE LYS A 14 4.026 17.895 -0.576 1.00 0.00 C ATOM 186 NZ LYS A 14 3.532 19.154 0.046 1.00 0.00 N ATOM 0 H LYS A 14 -0.141 14.764 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 14 2.563 14.081 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.170 15.444 0.170 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.623 15.046 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.801 16.676 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.345 17.438 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.426 16.695 1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.865 15.769 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.104 17.818 -0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.848 17.927 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.018 19.967 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.508 19.240 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.725 19.135 1.068 1.00 0.00 H new ATOM 200 N GLU A 15 -0.164 12.656 0.120 1.00 0.00 N ATOM 201 CA GLU A 15 -0.656 11.452 0.779 1.00 0.00 C ATOM 202 C GLU A 15 -0.144 10.198 0.075 1.00 0.00 C ATOM 203 O GLU A 15 -0.084 9.120 0.667 1.00 0.00 O ATOM 204 CB GLU A 15 -2.185 11.446 0.805 1.00 0.00 C ATOM 205 CG GLU A 15 -2.778 12.306 1.909 1.00 0.00 C ATOM 206 CD GLU A 15 -4.291 12.378 1.843 1.00 0.00 C ATOM 207 OE1 GLU A 15 -4.909 11.430 1.315 1.00 0.00 O ATOM 208 OE2 GLU A 15 -4.858 13.384 2.320 1.00 0.00 O ATOM 0 H GLU A 15 -0.883 13.350 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.282 11.452 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.558 11.797 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.534 10.421 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.479 11.905 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.367 13.313 1.841 1.00 0.00 H new ATOM 215 N LEU A 16 0.224 10.348 -1.193 1.00 0.00 N ATOM 216 CA LEU A 16 0.730 9.229 -1.980 1.00 0.00 C ATOM 217 C LEU A 16 2.239 9.082 -1.808 1.00 0.00 C ATOM 218 O LEU A 16 2.754 7.970 -1.698 1.00 0.00 O ATOM 219 CB LEU A 16 0.391 9.425 -3.459 1.00 0.00 C ATOM 220 CG LEU A 16 -0.997 8.954 -3.896 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.106 7.441 -3.789 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.076 9.629 -3.063 1.00 0.00 C ATOM 0 H LEU A 16 0.181 11.233 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 16 0.251 8.318 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.485 10.485 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.136 8.898 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.143 9.235 -4.939 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.100 7.125 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.357 6.976 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.939 7.136 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.057 9.282 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.933 9.380 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.012 10.709 -3.192 1.00 0.00 H new ATOM 234 N GLU A 17 2.940 10.211 -1.785 1.00 0.00 N ATOM 235 CA GLU A 17 4.389 10.206 -1.625 1.00 0.00 C ATOM 236 C GLU A 17 4.783 9.691 -0.243 1.00 0.00 C ATOM 237 O GLU A 17 5.826 9.060 -0.079 1.00 0.00 O ATOM 238 CB GLU A 17 4.953 11.613 -1.836 1.00 0.00 C ATOM 239 CG GLU A 17 5.207 11.954 -3.295 1.00 0.00 C ATOM 240 CD GLU A 17 5.507 13.426 -3.506 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.050 14.247 -2.684 1.00 0.00 O ATOM 242 OE2 GLU A 17 6.197 13.755 -4.493 1.00 0.00 O ATOM 0 H GLU A 17 2.528 11.140 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 17 4.809 9.537 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.258 12.341 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.887 11.708 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.044 11.360 -3.663 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.335 11.676 -3.886 1.00 0.00 H new ATOM 249 N GLU A 18 3.939 9.966 0.747 1.00 0.00 N ATOM 250 CA GLU A 18 4.200 9.532 2.114 1.00 0.00 C ATOM 251 C GLU A 18 4.013 8.024 2.251 1.00 0.00 C ATOM 252 O GLU A 18 4.774 7.352 2.948 1.00 0.00 O ATOM 253 CB GLU A 18 3.274 10.262 3.090 1.00 0.00 C ATOM 254 CG GLU A 18 1.797 10.061 2.794 1.00 0.00 C ATOM 255 CD GLU A 18 0.901 10.757 3.799 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.379 11.693 4.473 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.280 10.365 3.912 1.00 0.00 O ATOM 0 H GLU A 18 3.070 10.487 0.628 1.00 0.00 H new ATOM 0 HA GLU A 18 5.235 9.776 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.483 9.917 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.499 11.328 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.576 10.436 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.573 8.994 2.791 1.00 0.00 H new ATOM 264 N LYS A 19 2.994 7.497 1.581 1.00 0.00 N ATOM 265 CA LYS A 19 2.705 6.068 1.625 1.00 0.00 C ATOM 266 C LYS A 19 3.578 5.305 0.633 1.00 0.00 C ATOM 267 O LYS A 19 3.885 4.132 0.838 1.00 0.00 O ATOM 268 CB LYS A 19 1.227 5.816 1.319 1.00 0.00 C ATOM 269 CG LYS A 19 0.813 6.246 -0.078 1.00 0.00 C ATOM 270 CD LYS A 19 -0.698 6.340 -0.207 1.00 0.00 C ATOM 271 CE LYS A 19 -1.352 4.970 -0.108 1.00 0.00 C ATOM 272 NZ LYS A 19 -1.399 4.281 -1.427 1.00 0.00 N ATOM 0 H LYS A 19 2.354 8.038 1.000 1.00 0.00 H new ATOM 0 HA LYS A 19 2.928 5.709 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.015 4.754 1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.618 6.348 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.260 7.213 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.198 5.534 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.091 6.990 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.955 6.799 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.801 4.355 0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.364 5.078 0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.941 3.398 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.858 4.900 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.431 4.064 -1.740 1.00 0.00 H new ATOM 286 N ASN A 20 3.975 5.981 -0.440 1.00 0.00 N ATOM 287 CA ASN A 20 4.813 5.367 -1.463 1.00 0.00 C ATOM 288 C ASN A 20 6.239 5.175 -0.955 1.00 0.00 C ATOM 289 O ASN A 20 6.869 4.150 -1.215 1.00 0.00 O ATOM 290 CB ASN A 20 4.822 6.226 -2.728 1.00 0.00 C ATOM 291 CG ASN A 20 3.567 6.045 -3.560 1.00 0.00 C ATOM 292 OD1 ASN A 20 2.618 5.385 -3.136 1.00 0.00 O ATOM 293 ND2 ASN A 20 3.557 6.631 -4.752 1.00 0.00 N ATOM 0 H ASN A 20 3.730 6.954 -0.624 1.00 0.00 H new ATOM 0 HA ASN A 20 4.395 4.388 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.922 7.275 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.694 5.971 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.740 6.543 -5.357 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.366 7.169 -5.063 1.00 0.00 H new ATOM 300 N ARG A 21 6.741 6.168 -0.228 1.00 0.00 N ATOM 301 CA ARG A 21 8.092 6.109 0.317 1.00 0.00 C ATOM 302 C ARG A 21 8.231 4.952 1.302 1.00 0.00 C ATOM 303 O ARG A 21 9.303 4.362 1.434 1.00 0.00 O ATOM 304 CB ARG A 21 8.443 7.427 1.009 1.00 0.00 C ATOM 305 CG ARG A 21 9.768 7.390 1.754 1.00 0.00 C ATOM 306 CD ARG A 21 9.590 6.895 3.181 1.00 0.00 C ATOM 307 NE ARG A 21 10.670 7.346 4.055 1.00 0.00 N ATOM 308 CZ ARG A 21 10.701 8.545 4.626 1.00 0.00 C ATOM 309 NH1 ARG A 21 9.717 9.409 4.416 1.00 0.00 N ATOM 310 NH2 ARG A 21 11.718 8.882 5.409 1.00 0.00 N ATOM 0 H ARG A 21 6.232 7.023 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 21 8.784 5.945 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.477 8.221 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.649 7.682 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.466 6.740 1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.208 8.387 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.636 7.249 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.551 5.806 3.185 1.00 0.00 H new ATOM 0 HE ARG A 21 11.443 6.705 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.934 9.154 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.744 10.329 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.477 8.220 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.741 9.803 5.847 1.00 0.00 H new ATOM 324 N MET A 22 7.140 4.635 1.992 1.00 0.00 N ATOM 325 CA MET A 22 7.141 3.548 2.965 1.00 0.00 C ATOM 326 C MET A 22 7.149 2.193 2.266 1.00 0.00 C ATOM 327 O MET A 22 7.849 1.271 2.686 1.00 0.00 O ATOM 328 CB MET A 22 5.920 3.655 3.882 1.00 0.00 C ATOM 329 CG MET A 22 5.969 4.849 4.822 1.00 0.00 C ATOM 330 SD MET A 22 4.977 4.604 6.307 1.00 0.00 S ATOM 331 CE MET A 22 3.359 4.324 5.591 1.00 0.00 C ATOM 0 H MET A 22 6.245 5.115 1.896 1.00 0.00 H new ATOM 0 HA MET A 22 8.046 3.632 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 22 5.021 3.722 3.270 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.837 2.742 4.472 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.003 5.039 5.108 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.616 5.736 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.644 4.103 6.383 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.040 5.216 5.053 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.407 3.482 4.901 1.00 0.00 H new ATOM 341 N LEU A 23 6.367 2.078 1.198 1.00 0.00 N ATOM 342 CA LEU A 23 6.284 0.834 0.440 1.00 0.00 C ATOM 343 C LEU A 23 7.625 0.501 -0.207 1.00 0.00 C ATOM 344 O LEU A 23 8.039 -0.657 -0.236 1.00 0.00 O ATOM 345 CB LEU A 23 5.199 0.938 -0.632 1.00 0.00 C ATOM 346 CG LEU A 23 3.765 1.088 -0.123 1.00 0.00 C ATOM 347 CD1 LEU A 23 2.830 1.462 -1.263 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.301 -0.196 0.550 1.00 0.00 C ATOM 0 H LEU A 23 5.781 2.831 0.837 1.00 0.00 H new ATOM 0 HA LEU A 23 6.026 0.032 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.428 1.791 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.249 0.048 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 23 3.744 1.890 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.814 1.564 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.150 2.407 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.855 0.683 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.278 -0.071 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.338 -1.016 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.954 -0.421 1.393 1.00 0.00 H new ATOM 360 N GLN A 24 8.297 1.524 -0.724 1.00 0.00 N ATOM 361 CA GLN A 24 9.591 1.339 -1.370 1.00 0.00 C ATOM 362 C GLN A 24 10.669 1.005 -0.344 1.00 0.00 C ATOM 363 O GLN A 24 11.678 0.383 -0.671 1.00 0.00 O ATOM 364 CB GLN A 24 9.982 2.598 -2.146 1.00 0.00 C ATOM 365 CG GLN A 24 10.517 3.715 -1.264 1.00 0.00 C ATOM 366 CD GLN A 24 11.264 4.774 -2.052 1.00 0.00 C ATOM 367 OE1 GLN A 24 12.494 4.782 -2.091 1.00 0.00 O ATOM 368 NE2 GLN A 24 10.521 5.675 -2.684 1.00 0.00 N ATOM 0 H GLN A 24 7.967 2.489 -0.708 1.00 0.00 H new ATOM 0 HA GLN A 24 9.505 0.504 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.738 2.338 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.112 2.963 -2.692 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.688 4.181 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.182 3.292 -0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.504 5.630 -2.624 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.968 6.412 -3.230 1.00 0.00 H new ATOM 377 N GLU A 25 10.446 1.423 0.898 1.00 0.00 N ATOM 378 CA GLU A 25 11.400 1.168 1.971 1.00 0.00 C ATOM 379 C GLU A 25 11.218 -0.237 2.539 1.00 0.00 C ATOM 380 O GLU A 25 12.187 -0.975 2.719 1.00 0.00 O ATOM 381 CB GLU A 25 11.237 2.205 3.085 1.00 0.00 C ATOM 382 CG GLU A 25 11.713 3.595 2.697 1.00 0.00 C ATOM 383 CD GLU A 25 13.188 3.806 2.976 1.00 0.00 C ATOM 384 OE1 GLU A 25 13.947 2.815 2.935 1.00 0.00 O ATOM 385 OE2 GLU A 25 13.584 4.961 3.237 1.00 0.00 O ATOM 0 H GLU A 25 9.614 1.939 1.186 1.00 0.00 H new ATOM 0 HA GLU A 25 12.405 1.246 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.186 2.257 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.790 1.873 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.521 3.758 1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.134 4.339 3.244 1.00 0.00 H new ATOM 392 N ASP A 26 9.971 -0.598 2.818 1.00 0.00 N ATOM 393 CA ASP A 26 9.661 -1.914 3.365 1.00 0.00 C ATOM 394 C ASP A 26 9.117 -2.839 2.280 1.00 0.00 C ATOM 395 O ASP A 26 8.042 -2.616 1.722 1.00 0.00 O ATOM 396 CB ASP A 26 8.647 -1.791 4.503 1.00 0.00 C ATOM 397 CG ASP A 26 8.764 -2.921 5.507 1.00 0.00 C ATOM 398 OD1 ASP A 26 9.308 -3.985 5.143 1.00 0.00 O ATOM 399 OD2 ASP A 26 8.312 -2.742 6.657 1.00 0.00 O ATOM 0 H ASP A 26 9.158 0.002 2.675 1.00 0.00 H new ATOM 0 HA ASP A 26 10.583 -2.344 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.792 -0.839 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.639 -1.780 4.088 1.00 0.00 H new ATOM 404 N PRO A 27 9.875 -3.901 1.972 1.00 0.00 N ATOM 405 CA PRO A 27 9.490 -4.880 0.951 1.00 0.00 C ATOM 406 C PRO A 27 8.301 -5.731 1.384 1.00 0.00 C ATOM 407 O PRO A 27 7.383 -5.978 0.602 1.00 0.00 O ATOM 408 CB PRO A 27 10.742 -5.747 0.800 1.00 0.00 C ATOM 409 CG PRO A 27 11.449 -5.622 2.105 1.00 0.00 C ATOM 410 CD PRO A 27 11.168 -4.228 2.596 1.00 0.00 C ATOM 0 HA PRO A 27 9.174 -4.400 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.482 -6.784 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.367 -5.400 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.090 -6.366 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.520 -5.785 1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.111 -4.189 3.684 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.948 -3.530 2.293 1.00 0.00 H new ATOM 418 N VAL A 28 8.324 -6.178 2.636 1.00 0.00 N ATOM 419 CA VAL A 28 7.247 -7.001 3.174 1.00 0.00 C ATOM 420 C VAL A 28 5.925 -6.243 3.175 1.00 0.00 C ATOM 421 O VAL A 28 4.908 -6.745 2.694 1.00 0.00 O ATOM 422 CB VAL A 28 7.560 -7.467 4.608 1.00 0.00 C ATOM 423 CG1 VAL A 28 6.389 -8.248 5.184 1.00 0.00 C ATOM 424 CG2 VAL A 28 8.831 -8.303 4.631 1.00 0.00 C ATOM 0 H VAL A 28 9.077 -5.984 3.297 1.00 0.00 H new ATOM 0 HA VAL A 28 7.162 -7.874 2.527 1.00 0.00 H new ATOM 0 HB VAL A 28 7.720 -6.586 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.629 -8.569 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.503 -7.613 5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.194 -9.123 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.037 -8.624 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 28 8.702 -9.179 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.666 -7.706 4.263 1.00 0.00 H new ATOM 434 N LEU A 29 5.944 -5.031 3.718 1.00 0.00 N ATOM 435 CA LEU A 29 4.746 -4.201 3.782 1.00 0.00 C ATOM 436 C LEU A 29 3.998 -4.222 2.452 1.00 0.00 C ATOM 437 O LEU A 29 2.791 -4.457 2.411 1.00 0.00 O ATOM 438 CB LEU A 29 5.116 -2.764 4.150 1.00 0.00 C ATOM 439 CG LEU A 29 3.948 -1.789 4.306 1.00 0.00 C ATOM 440 CD1 LEU A 29 3.264 -1.986 5.650 1.00 0.00 C ATOM 441 CD2 LEU A 29 4.428 -0.353 4.155 1.00 0.00 C ATOM 0 H LEU A 29 6.776 -4.601 4.121 1.00 0.00 H new ATOM 0 HA LEU A 29 4.092 -4.609 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.675 -2.782 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.788 -2.376 3.384 1.00 0.00 H new ATOM 0 HG LEU A 29 3.222 -1.993 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.436 -1.284 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.885 -3.006 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.981 -1.810 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.584 0.327 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.174 -0.136 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.871 -0.219 3.168 1.00 0.00 H new ATOM 453 N PHE A 30 4.725 -3.975 1.367 1.00 0.00 N ATOM 454 CA PHE A 30 4.131 -3.966 0.035 1.00 0.00 C ATOM 455 C PHE A 30 3.350 -5.252 -0.221 1.00 0.00 C ATOM 456 O PHE A 30 2.195 -5.214 -0.643 1.00 0.00 O ATOM 457 CB PHE A 30 5.217 -3.795 -1.029 1.00 0.00 C ATOM 458 CG PHE A 30 4.725 -3.138 -2.287 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.626 -3.641 -2.963 1.00 0.00 C ATOM 460 CD2 PHE A 30 5.362 -2.015 -2.792 1.00 0.00 C ATOM 461 CE1 PHE A 30 3.172 -3.038 -4.121 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.912 -1.408 -3.949 1.00 0.00 C ATOM 463 CZ PHE A 30 3.815 -1.920 -4.614 1.00 0.00 C ATOM 0 H PHE A 30 5.726 -3.779 1.384 1.00 0.00 H new ATOM 0 HA PHE A 30 3.440 -3.125 -0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.032 -3.202 -0.613 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.629 -4.773 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.118 -4.514 -2.581 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.220 -1.610 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.315 -3.441 -4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.418 -0.534 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.461 -1.447 -5.518 1.00 0.00 H new ATOM 473 N GLN A 31 3.991 -6.388 0.037 1.00 0.00 N ATOM 474 CA GLN A 31 3.357 -7.685 -0.166 1.00 0.00 C ATOM 475 C GLN A 31 1.975 -7.723 0.477 1.00 0.00 C ATOM 476 O GLN A 31 0.974 -7.978 -0.192 1.00 0.00 O ATOM 477 CB GLN A 31 4.232 -8.800 0.410 1.00 0.00 C ATOM 478 CG GLN A 31 3.580 -10.172 0.361 1.00 0.00 C ATOM 479 CD GLN A 31 3.857 -10.904 -0.937 1.00 0.00 C ATOM 480 OE1 GLN A 31 4.575 -11.904 -0.958 1.00 0.00 O ATOM 481 NE2 GLN A 31 3.288 -10.409 -2.030 1.00 0.00 N ATOM 0 H GLN A 31 4.948 -6.436 0.387 1.00 0.00 H new ATOM 0 HA GLN A 31 3.242 -7.841 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.172 -8.834 -0.141 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.477 -8.560 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.942 -10.772 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.503 -10.063 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.700 -9.578 -1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.439 -10.860 -2.932 1.00 0.00 H new ATOM 490 N LEU A 32 1.928 -7.467 1.780 1.00 0.00 N ATOM 491 CA LEU A 32 0.668 -7.472 2.516 1.00 0.00 C ATOM 492 C LEU A 32 -0.396 -6.665 1.778 1.00 0.00 C ATOM 493 O LEU A 32 -1.541 -7.100 1.649 1.00 0.00 O ATOM 494 CB LEU A 32 0.873 -6.904 3.921 1.00 0.00 C ATOM 495 CG LEU A 32 1.890 -7.634 4.798 1.00 0.00 C ATOM 496 CD1 LEU A 32 2.282 -6.774 5.990 1.00 0.00 C ATOM 497 CD2 LEU A 32 1.331 -8.971 5.264 1.00 0.00 C ATOM 0 H LEU A 32 2.747 -7.253 2.349 1.00 0.00 H new ATOM 0 HA LEU A 32 0.325 -8.504 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.184 -5.863 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.088 -6.905 4.436 1.00 0.00 H new ATOM 0 HG LEU A 32 2.783 -7.824 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.007 -7.310 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.724 -5.842 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.396 -6.552 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.069 -9.477 5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.422 -8.804 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.102 -9.591 4.398 1.00 0.00 H new ATOM 509 N TYR A 33 -0.010 -5.490 1.296 1.00 0.00 N ATOM 510 CA TYR A 33 -0.931 -4.621 0.571 1.00 0.00 C ATOM 511 C TYR A 33 -1.476 -5.321 -0.670 1.00 0.00 C ATOM 512 O TYR A 33 -2.639 -5.146 -1.036 1.00 0.00 O ATOM 513 CB TYR A 33 -0.231 -3.321 0.172 1.00 0.00 C ATOM 514 CG TYR A 33 -1.018 -2.489 -0.815 1.00 0.00 C ATOM 515 CD1 TYR A 33 -1.070 -2.834 -2.160 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.711 -1.357 -0.402 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.787 -2.075 -3.065 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.432 -0.594 -1.300 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.466 -0.957 -2.630 1.00 0.00 C ATOM 520 OH TYR A 33 -3.183 -0.199 -3.528 1.00 0.00 O ATOM 0 H TYR A 33 0.934 -5.116 1.394 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.767 -4.387 1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.045 -2.728 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.741 -3.559 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.541 -3.710 -2.504 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.685 -1.069 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.815 -2.356 -4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.966 0.282 -0.962 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.306 -0.705 -4.358 1.00 0.00 H new ATOM 530 N LYS A 34 -0.628 -6.115 -1.315 1.00 0.00 N ATOM 531 CA LYS A 34 -1.023 -6.844 -2.514 1.00 0.00 C ATOM 532 C LYS A 34 -1.877 -8.056 -2.158 1.00 0.00 C ATOM 533 O LYS A 34 -3.035 -8.153 -2.564 1.00 0.00 O ATOM 534 CB LYS A 34 0.216 -7.291 -3.295 1.00 0.00 C ATOM 535 CG LYS A 34 1.034 -6.137 -3.848 1.00 0.00 C ATOM 536 CD LYS A 34 2.128 -6.628 -4.782 1.00 0.00 C ATOM 537 CE LYS A 34 3.245 -7.321 -4.016 1.00 0.00 C ATOM 538 NZ LYS A 34 4.002 -8.270 -4.878 1.00 0.00 N ATOM 0 H LYS A 34 0.338 -6.270 -1.027 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.616 -6.175 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.848 -7.894 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.096 -7.932 -4.119 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.379 -5.449 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.480 -5.578 -3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.703 -7.318 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.536 -5.786 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.928 -6.573 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.824 -7.859 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.754 -8.722 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.356 -8.999 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.425 -7.753 -5.675 1.00 0.00 H new ATOM 552 N ASP A 35 -1.299 -8.978 -1.395 1.00 0.00 N ATOM 553 CA ASP A 35 -2.008 -10.183 -0.982 1.00 0.00 C ATOM 554 C ASP A 35 -3.434 -9.853 -0.552 1.00 0.00 C ATOM 555 O ASP A 35 -4.316 -10.713 -0.577 1.00 0.00 O ATOM 556 CB ASP A 35 -1.264 -10.871 0.163 1.00 0.00 C ATOM 557 CG ASP A 35 -1.522 -12.365 0.207 1.00 0.00 C ATOM 558 OD1 ASP A 35 -1.074 -13.072 -0.720 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.172 -12.826 1.168 1.00 0.00 O ATOM 0 H ASP A 35 -0.341 -8.913 -1.050 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.052 -10.860 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.194 -10.693 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.568 -10.425 1.110 1.00 0.00 H new ATOM 564 N LEU A 36 -3.654 -8.604 -0.158 1.00 0.00 N ATOM 565 CA LEU A 36 -4.974 -8.161 0.279 1.00 0.00 C ATOM 566 C LEU A 36 -5.671 -7.364 -0.819 1.00 0.00 C ATOM 567 O LEU A 36 -6.742 -7.745 -1.292 1.00 0.00 O ATOM 568 CB LEU A 36 -4.854 -7.310 1.544 1.00 0.00 C ATOM 569 CG LEU A 36 -4.117 -7.954 2.719 1.00 0.00 C ATOM 570 CD1 LEU A 36 -3.709 -6.900 3.736 1.00 0.00 C ATOM 571 CD2 LEU A 36 -4.983 -9.021 3.372 1.00 0.00 C ATOM 0 H LEU A 36 -2.936 -7.880 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.573 -9.045 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.344 -6.382 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.858 -7.042 1.874 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.214 -8.431 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.186 -7.377 4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.050 -6.173 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.598 -6.393 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.442 -9.468 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.904 -8.568 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.224 -9.792 2.640 1.00 0.00 H new ATOM 583 N VAL A 37 -5.056 -6.257 -1.222 1.00 0.00 N ATOM 584 CA VAL A 37 -5.616 -5.408 -2.267 1.00 0.00 C ATOM 585 C VAL A 37 -5.632 -6.129 -3.610 1.00 0.00 C ATOM 586 O VAL A 37 -6.679 -6.260 -4.244 1.00 0.00 O ATOM 587 CB VAL A 37 -4.821 -4.096 -2.410 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.441 -3.211 -3.480 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.752 -3.367 -1.077 1.00 0.00 C ATOM 0 H VAL A 37 -4.169 -5.927 -0.841 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.639 -5.174 -1.971 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.804 -4.339 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.866 -2.289 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.433 -3.735 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.469 -2.974 -3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.187 -2.443 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.761 -3.134 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.258 -4.001 -0.341 1.00 0.00 H new ATOM 599 N VAL A 38 -4.464 -6.595 -4.040 1.00 0.00 N ATOM 600 CA VAL A 38 -4.344 -7.305 -5.308 1.00 0.00 C ATOM 601 C VAL A 38 -5.233 -8.543 -5.331 1.00 0.00 C ATOM 602 O VAL A 38 -5.496 -9.111 -6.391 1.00 0.00 O ATOM 603 CB VAL A 38 -2.887 -7.727 -5.579 1.00 0.00 C ATOM 604 CG1 VAL A 38 -2.819 -8.681 -6.762 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.015 -6.504 -5.819 1.00 0.00 C ATOM 0 H VAL A 38 -3.587 -6.494 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.666 -6.616 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.508 -8.249 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.782 -8.968 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.410 -9.571 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.215 -8.188 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.989 -6.820 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.390 -5.953 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.040 -5.861 -4.939 1.00 0.00 H new ATOM 615 N SER A 39 -5.693 -8.957 -4.155 1.00 0.00 N ATOM 616 CA SER A 39 -6.551 -10.131 -4.039 1.00 0.00 C ATOM 617 C SER A 39 -8.023 -9.730 -4.039 1.00 0.00 C ATOM 618 O SER A 39 -8.890 -10.516 -3.661 1.00 0.00 O ATOM 619 CB SER A 39 -6.221 -10.905 -2.761 1.00 0.00 C ATOM 620 OG SER A 39 -6.716 -12.231 -2.827 1.00 0.00 O ATOM 0 H SER A 39 -5.486 -8.497 -3.268 1.00 0.00 H new ATOM 0 HA SER A 39 -6.367 -10.772 -4.901 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.141 -10.923 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.653 -10.394 -1.901 1.00 0.00 H new ATOM 0 HG SER A 39 -7.652 -12.217 -3.115 1.00 0.00 H new ATOM 626 N GLN A 40 -8.295 -8.501 -4.467 1.00 0.00 N ATOM 627 CA GLN A 40 -9.662 -7.995 -4.516 1.00 0.00 C ATOM 628 C GLN A 40 -10.411 -8.326 -3.229 1.00 0.00 C ATOM 629 O GLN A 40 -11.627 -8.514 -3.238 1.00 0.00 O ATOM 630 CB GLN A 40 -10.403 -8.584 -5.717 1.00 0.00 C ATOM 631 CG GLN A 40 -10.592 -10.091 -5.637 1.00 0.00 C ATOM 632 CD GLN A 40 -11.532 -10.619 -6.703 1.00 0.00 C ATOM 633 OE1 GLN A 40 -12.703 -10.243 -6.756 1.00 0.00 O ATOM 634 NE2 GLN A 40 -11.022 -11.495 -7.560 1.00 0.00 N ATOM 0 H GLN A 40 -7.588 -7.838 -4.784 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.618 -6.911 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.380 -8.108 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.853 -8.343 -6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.623 -10.581 -5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.981 -10.353 -4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.046 -11.779 -7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.607 -11.884 -8.300 1.00 0.00 H new ATOM 643 N VAL A 41 -9.676 -8.395 -2.123 1.00 0.00 N ATOM 644 CA VAL A 41 -10.271 -8.702 -0.828 1.00 0.00 C ATOM 645 C VAL A 41 -10.660 -7.428 -0.086 1.00 0.00 C ATOM 646 O VAL A 41 -11.688 -7.381 0.590 1.00 0.00 O ATOM 647 CB VAL A 41 -9.309 -9.522 0.051 1.00 0.00 C ATOM 648 CG1 VAL A 41 -9.748 -9.479 1.507 1.00 0.00 C ATOM 649 CG2 VAL A 41 -9.225 -10.957 -0.447 1.00 0.00 C ATOM 0 H VAL A 41 -8.668 -8.242 -2.098 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.166 -9.293 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.315 -9.079 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.056 -10.064 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.752 -8.446 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.751 -9.896 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.541 -11.522 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.214 -11.413 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.860 -10.965 -1.474 1.00 0.00 H new ATOM 659 N ILE A 42 -9.831 -6.398 -0.218 1.00 0.00 N ATOM 660 CA ILE A 42 -10.089 -5.122 0.439 1.00 0.00 C ATOM 661 C ILE A 42 -9.706 -3.953 -0.461 1.00 0.00 C ATOM 662 O ILE A 42 -9.290 -4.146 -1.603 1.00 0.00 O ATOM 663 CB ILE A 42 -9.319 -5.007 1.768 1.00 0.00 C ATOM 664 CG1 ILE A 42 -7.832 -5.292 1.546 1.00 0.00 C ATOM 665 CG2 ILE A 42 -9.898 -5.962 2.801 1.00 0.00 C ATOM 666 CD1 ILE A 42 -6.958 -4.877 2.709 1.00 0.00 C ATOM 0 H ILE A 42 -8.976 -6.422 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.159 -5.083 0.644 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.423 -3.989 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.698 -6.358 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.500 -4.770 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.343 -5.869 3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.946 -5.717 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -9.821 -6.985 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.917 -5.108 2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.063 -3.805 2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.263 -5.418 3.605 1.00 0.00 H new ATOM 678 N SER A 43 -9.847 -2.739 0.063 1.00 0.00 N ATOM 679 CA SER A 43 -9.517 -1.537 -0.694 1.00 0.00 C ATOM 680 C SER A 43 -8.200 -0.936 -0.212 1.00 0.00 C ATOM 681 O SER A 43 -7.868 -1.010 0.971 1.00 0.00 O ATOM 682 CB SER A 43 -10.639 -0.505 -0.567 1.00 0.00 C ATOM 683 OG SER A 43 -10.973 -0.279 0.791 1.00 0.00 O ATOM 0 H SER A 43 -10.187 -2.562 1.008 1.00 0.00 H new ATOM 0 HA SER A 43 -9.407 -1.816 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.329 0.432 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.519 -0.852 -1.108 1.00 0.00 H new ATOM 0 HG SER A 43 -11.691 0.386 0.845 1.00 0.00 H new ATOM 689 N ALA A 44 -7.455 -0.340 -1.137 1.00 0.00 N ATOM 690 CA ALA A 44 -6.176 0.276 -0.807 1.00 0.00 C ATOM 691 C ALA A 44 -6.312 1.219 0.383 1.00 0.00 C ATOM 692 O ALA A 44 -5.424 1.292 1.233 1.00 0.00 O ATOM 693 CB ALA A 44 -5.623 1.021 -2.013 1.00 0.00 C ATOM 0 H ALA A 44 -7.715 -0.271 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.479 -0.516 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.667 1.476 -1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.480 0.323 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.325 1.798 -2.314 1.00 0.00 H new ATOM 699 N GLU A 45 -7.427 1.940 0.438 1.00 0.00 N ATOM 700 CA GLU A 45 -7.677 2.880 1.524 1.00 0.00 C ATOM 701 C GLU A 45 -7.807 2.148 2.857 1.00 0.00 C ATOM 702 O GLU A 45 -7.414 2.667 3.902 1.00 0.00 O ATOM 703 CB GLU A 45 -8.947 3.688 1.248 1.00 0.00 C ATOM 704 CG GLU A 45 -8.798 4.684 0.110 1.00 0.00 C ATOM 705 CD GLU A 45 -10.134 5.160 -0.427 1.00 0.00 C ATOM 706 OE1 GLU A 45 -10.999 5.541 0.389 1.00 0.00 O ATOM 707 OE2 GLU A 45 -10.314 5.150 -1.663 1.00 0.00 O ATOM 0 H GLU A 45 -8.172 1.891 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.828 3.561 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.761 3.002 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.231 4.224 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.223 5.543 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.229 4.224 -0.698 1.00 0.00 H new ATOM 714 N GLU A 46 -8.362 0.941 2.811 1.00 0.00 N ATOM 715 CA GLU A 46 -8.545 0.139 4.015 1.00 0.00 C ATOM 716 C GLU A 46 -7.199 -0.284 4.597 1.00 0.00 C ATOM 717 O GLU A 46 -6.911 -0.039 5.769 1.00 0.00 O ATOM 718 CB GLU A 46 -9.392 -1.098 3.707 1.00 0.00 C ATOM 719 CG GLU A 46 -10.036 -1.715 4.937 1.00 0.00 C ATOM 720 CD GLU A 46 -11.084 -0.815 5.562 1.00 0.00 C ATOM 721 OE1 GLU A 46 -12.068 -0.481 4.869 1.00 0.00 O ATOM 722 OE2 GLU A 46 -10.919 -0.443 6.742 1.00 0.00 O ATOM 0 H GLU A 46 -8.692 0.497 1.954 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.064 0.751 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.172 -0.826 2.996 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.765 -1.846 3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.495 -2.665 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.264 -1.934 5.675 1.00 0.00 H new ATOM 729 N PHE A 47 -6.378 -0.923 3.769 1.00 0.00 N ATOM 730 CA PHE A 47 -5.063 -1.383 4.201 1.00 0.00 C ATOM 731 C PHE A 47 -4.331 -0.289 4.973 1.00 0.00 C ATOM 732 O PHE A 47 -3.855 -0.513 6.086 1.00 0.00 O ATOM 733 CB PHE A 47 -4.230 -1.815 2.993 1.00 0.00 C ATOM 734 CG PHE A 47 -2.807 -2.151 3.336 1.00 0.00 C ATOM 735 CD1 PHE A 47 -1.900 -1.150 3.645 1.00 0.00 C ATOM 736 CD2 PHE A 47 -2.376 -3.468 3.351 1.00 0.00 C ATOM 737 CE1 PHE A 47 -0.589 -1.457 3.961 1.00 0.00 C ATOM 738 CE2 PHE A 47 -1.067 -3.781 3.666 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.173 -2.774 3.972 1.00 0.00 C ATOM 0 H PHE A 47 -6.600 -1.134 2.796 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.203 -2.238 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.699 -2.684 2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.238 -1.016 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.220 -0.119 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.071 -4.260 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.109 -0.668 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.744 -4.812 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.850 -3.016 4.220 1.00 0.00 H new ATOM 749 N TRP A 48 -4.245 0.893 4.374 1.00 0.00 N ATOM 750 CA TRP A 48 -3.570 2.022 5.004 1.00 0.00 C ATOM 751 C TRP A 48 -4.398 2.575 6.159 1.00 0.00 C ATOM 752 O TRP A 48 -3.864 2.888 7.223 1.00 0.00 O ATOM 753 CB TRP A 48 -3.307 3.124 3.976 1.00 0.00 C ATOM 754 CG TRP A 48 -2.333 2.721 2.910 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.603 2.521 1.587 1.00 0.00 C ATOM 756 CD2 TRP A 48 -0.934 2.468 3.079 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.456 2.158 0.923 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.418 2.120 1.815 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.066 2.504 4.174 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.925 1.809 1.620 1.00 0.00 C ATOM 761 CZ3 TRP A 48 1.267 2.195 3.978 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.752 1.852 2.709 1.00 0.00 C ATOM 0 H TRP A 48 -4.634 1.095 3.453 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.618 1.669 5.400 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.250 3.407 3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.928 4.007 4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.575 2.632 1.129 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.389 1.950 -0.073 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.430 2.769 5.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.301 1.543 0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.946 2.218 4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.799 1.617 2.588 1.00 0.00 H new ATOM 773 N ALA A 49 -5.704 2.691 5.943 1.00 0.00 N ATOM 774 CA ALA A 49 -6.605 3.204 6.968 1.00 0.00 C ATOM 775 C ALA A 49 -6.148 2.784 8.361 1.00 0.00 C ATOM 776 O ALA A 49 -6.256 3.551 9.317 1.00 0.00 O ATOM 777 CB ALA A 49 -8.026 2.725 6.709 1.00 0.00 C ATOM 0 H ALA A 49 -6.162 2.437 5.068 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.586 4.293 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.688 3.115 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.358 3.081 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.051 1.635 6.726 1.00 0.00 H new ATOM 783 N ASN A 50 -5.639 1.561 8.467 1.00 0.00 N ATOM 784 CA ASN A 50 -5.168 1.038 9.745 1.00 0.00 C ATOM 785 C ASN A 50 -3.798 1.613 10.095 1.00 0.00 C ATOM 786 O ASN A 50 -3.582 2.092 11.208 1.00 0.00 O ATOM 787 CB ASN A 50 -5.095 -0.489 9.699 1.00 0.00 C ATOM 788 CG ASN A 50 -6.400 -1.142 10.114 1.00 0.00 C ATOM 789 OD1 ASN A 50 -6.585 -1.500 11.277 1.00 0.00 O ATOM 790 ND2 ASN A 50 -7.311 -1.301 9.161 1.00 0.00 N ATOM 0 H ASN A 50 -5.542 0.914 7.685 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.877 1.338 10.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.837 -0.808 8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.295 -0.832 10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.208 -1.735 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.114 -0.989 8.210 1.00 0.00 H new ATOM 797 N ARG A 51 -2.878 1.561 9.138 1.00 0.00 N ATOM 798 CA ARG A 51 -1.530 2.076 9.345 1.00 0.00 C ATOM 799 C ARG A 51 -1.557 3.576 9.621 1.00 0.00 C ATOM 800 O ARG A 51 -1.141 4.030 10.687 1.00 0.00 O ATOM 801 CB ARG A 51 -0.657 1.787 8.122 1.00 0.00 C ATOM 802 CG ARG A 51 -0.416 0.306 7.882 1.00 0.00 C ATOM 803 CD ARG A 51 0.796 -0.194 8.654 1.00 0.00 C ATOM 804 NE ARG A 51 0.465 -0.525 10.037 1.00 0.00 N ATOM 805 CZ ARG A 51 1.358 -0.550 11.021 1.00 0.00 C ATOM 806 NH1 ARG A 51 2.629 -0.263 10.774 1.00 0.00 N ATOM 807 NH2 ARG A 51 0.980 -0.861 12.254 1.00 0.00 N ATOM 0 H ARG A 51 -3.041 1.167 8.211 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.105 1.572 10.213 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.130 2.217 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.303 2.287 8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.298 -0.260 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.269 0.128 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.204 -1.075 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.575 0.569 8.640 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.505 -0.749 10.260 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.923 -0.022 9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.313 -0.283 11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.003 -1.081 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.666 -0.880 13.008 1.00 0.00 H new ATOM 821 N LEU A 52 -2.050 4.341 8.653 1.00 0.00 N ATOM 822 CA LEU A 52 -2.131 5.791 8.791 1.00 0.00 C ATOM 823 C LEU A 52 -2.719 6.178 10.144 1.00 0.00 C ATOM 824 O LEU A 52 -3.639 5.530 10.640 1.00 0.00 O ATOM 825 CB LEU A 52 -2.981 6.383 7.665 1.00 0.00 C ATOM 826 CG LEU A 52 -2.463 6.160 6.244 1.00 0.00 C ATOM 827 CD1 LEU A 52 -3.455 6.698 5.224 1.00 0.00 C ATOM 828 CD2 LEU A 52 -1.101 6.815 6.064 1.00 0.00 C ATOM 0 H LEU A 52 -2.399 3.982 7.765 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.120 6.194 8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.984 5.962 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.073 7.456 7.832 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.352 5.088 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.070 6.531 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.409 6.183 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.598 7.767 5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.748 6.646 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.186 7.886 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.393 6.382 6.771 1.00 0.00 H new ATOM 840 N ASN A 53 -2.180 7.239 10.736 1.00 0.00 N ATOM 841 CA ASN A 53 -2.652 7.713 12.032 1.00 0.00 C ATOM 842 C ASN A 53 -3.006 9.196 11.973 1.00 0.00 C ATOM 843 O ASN A 53 -2.570 9.983 12.813 1.00 0.00 O ATOM 844 CB ASN A 53 -1.588 7.473 13.105 1.00 0.00 C ATOM 845 CG ASN A 53 -2.145 7.596 14.510 1.00 0.00 C ATOM 846 OD1 ASN A 53 -3.072 6.880 14.887 1.00 0.00 O ATOM 847 ND2 ASN A 53 -1.581 8.509 15.292 1.00 0.00 N ATOM 0 H ASN A 53 -1.416 7.787 10.339 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.551 7.153 12.290 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.160 6.479 12.973 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.777 8.189 12.975 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.914 8.638 16.247 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.814 9.081 14.937 1.00 0.00 H new ATOM 854 N VAL A 54 -3.799 9.571 10.974 1.00 0.00 N ATOM 855 CA VAL A 54 -4.213 10.959 10.806 1.00 0.00 C ATOM 856 C VAL A 54 -5.507 11.241 11.560 1.00 0.00 C ATOM 857 O VAL A 54 -6.577 11.341 10.960 1.00 0.00 O ATOM 858 CB VAL A 54 -4.410 11.309 9.319 1.00 0.00 C ATOM 859 CG1 VAL A 54 -3.068 11.553 8.645 1.00 0.00 C ATOM 860 CG2 VAL A 54 -5.179 10.205 8.610 1.00 0.00 C ATOM 0 H VAL A 54 -4.168 8.933 10.269 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.416 11.580 11.215 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.994 12.227 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.227 11.799 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.558 12.381 9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.455 10.654 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.309 10.469 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.624 9.270 8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.156 10.084 9.078 1.00 0.00 H new ATOM 870 N ASN A 55 -5.402 11.370 12.878 1.00 0.00 N ATOM 871 CA ASN A 55 -6.565 11.641 13.715 1.00 0.00 C ATOM 872 C ASN A 55 -6.622 13.115 14.107 1.00 0.00 C ATOM 873 O ASN A 55 -6.995 13.455 15.229 1.00 0.00 O ATOM 874 CB ASN A 55 -6.531 10.769 14.971 1.00 0.00 C ATOM 875 CG ASN A 55 -5.220 10.891 15.724 1.00 0.00 C ATOM 876 OD1 ASN A 55 -4.277 10.008 15.415 1.00 0.00 O flip ATOM 877 ND2 ASN A 55 -5.057 11.768 16.572 1.00 0.00 N flip ATOM 0 H ASN A 55 -4.523 11.291 13.390 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.459 11.401 13.139 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.353 11.052 15.629 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.691 9.728 14.692 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.810 12.425 16.777 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.169 11.838 17.070 1.00 0.00 H new ATOM 884 N SER A 56 -6.249 13.984 13.173 1.00 0.00 N ATOM 885 CA SER A 56 -6.254 15.421 13.421 1.00 0.00 C ATOM 886 C SER A 56 -6.906 16.170 12.263 1.00 0.00 C ATOM 887 O SER A 56 -6.372 16.211 11.156 1.00 0.00 O ATOM 888 CB SER A 56 -4.826 15.929 13.632 1.00 0.00 C ATOM 889 OG SER A 56 -4.819 17.303 13.978 1.00 0.00 O ATOM 0 H SER A 56 -5.940 13.718 12.238 1.00 0.00 H new ATOM 0 HA SER A 56 -6.835 15.606 14.324 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.343 15.350 14.419 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.245 15.777 12.723 1.00 0.00 H new ATOM 0 HG SER A 56 -3.895 17.603 14.109 1.00 0.00 H new ATOM 895 N GLY A 57 -8.067 16.763 12.528 1.00 0.00 N ATOM 896 CA GLY A 57 -8.774 17.503 11.500 1.00 0.00 C ATOM 897 C GLY A 57 -7.835 18.257 10.578 1.00 0.00 C ATOM 898 O GLY A 57 -6.780 18.737 10.991 1.00 0.00 O ATOM 0 H GLY A 57 -8.530 16.744 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.380 16.813 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.460 18.208 11.971 1.00 0.00 H new ATOM 902 N PRO A 58 -8.219 18.367 9.298 1.00 0.00 N ATOM 903 CA PRO A 58 -7.417 19.066 8.289 1.00 0.00 C ATOM 904 C PRO A 58 -7.390 20.574 8.513 1.00 0.00 C ATOM 905 O PRO A 58 -6.418 21.245 8.165 1.00 0.00 O ATOM 906 CB PRO A 58 -8.131 18.733 6.976 1.00 0.00 C ATOM 907 CG PRO A 58 -9.538 18.447 7.372 1.00 0.00 C ATOM 908 CD PRO A 58 -9.465 17.819 8.737 1.00 0.00 C ATOM 0 HA PRO A 58 -6.372 18.757 8.313 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.079 19.566 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.675 17.873 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.131 19.362 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.015 17.775 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.330 18.081 9.347 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.435 16.731 8.678 1.00 0.00 H new ATOM 916 N SER A 59 -8.461 21.101 9.096 1.00 0.00 N ATOM 917 CA SER A 59 -8.561 22.531 9.364 1.00 0.00 C ATOM 918 C SER A 59 -8.123 22.848 10.790 1.00 0.00 C ATOM 919 O SER A 59 -8.206 22.002 11.680 1.00 0.00 O ATOM 920 CB SER A 59 -9.994 23.015 9.138 1.00 0.00 C ATOM 921 OG SER A 59 -10.858 22.545 10.160 1.00 0.00 O ATOM 0 H SER A 59 -9.273 20.559 9.392 1.00 0.00 H new ATOM 0 HA SER A 59 -7.897 23.052 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.014 24.105 9.113 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.350 22.668 8.168 1.00 0.00 H new ATOM 0 HG SER A 59 -11.768 22.869 9.994 1.00 0.00 H new ATOM 927 N SER A 60 -7.657 24.075 11.000 1.00 0.00 N ATOM 928 CA SER A 60 -7.202 24.505 12.317 1.00 0.00 C ATOM 929 C SER A 60 -8.164 25.526 12.918 1.00 0.00 C ATOM 930 O SER A 60 -7.947 26.733 12.819 1.00 0.00 O ATOM 931 CB SER A 60 -5.797 25.105 12.225 1.00 0.00 C ATOM 932 OG SER A 60 -4.853 24.131 11.812 1.00 0.00 O ATOM 0 H SER A 60 -7.585 24.789 10.275 1.00 0.00 H new ATOM 0 HA SER A 60 -7.174 23.630 12.967 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.799 25.936 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.507 25.510 13.195 1.00 0.00 H new ATOM 0 HG SER A 60 -3.964 24.539 11.759 1.00 0.00 H new ATOM 938 N GLY A 61 -9.229 25.030 13.541 1.00 0.00 N ATOM 939 CA GLY A 61 -10.209 25.911 14.149 1.00 0.00 C ATOM 940 C GLY A 61 -11.630 25.555 13.759 1.00 0.00 C ATOM 941 O GLY A 61 -12.390 26.411 13.307 1.00 0.00 O ATOM 0 H GLY A 61 -9.430 24.035 13.635 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.111 25.865 15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.001 26.939 13.853 1.00 0.00 H new TER 945 GLY A 61