USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 569 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 38 MET CE :methyl -148:sc= -0.611 (180deg=-1.74!) USER MOD Set 1.2: A 48 MET CE :methyl 174:sc= -4.55! (180deg=-5.13!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.363 K(o=1.3,f=-3.6!) USER MOD Set 2.2: A 22 SER OG : rot 73:sc= 0.983 USER MOD Set 3.1: A 20 THR OG1 : rot 42:sc= -0.484! USER MOD Set 3.2: A 51 TYR OH : rot 75:sc= 0.732 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 1.07 USER MOD Set 4.2: A 8 THR OG1 : rot -180:sc= 0.96 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0.37 (180deg=0.37) USER MOD Single : A 3 LYS NZ :NH3+ 148:sc= 2.17 (180deg=1.27) USER MOD Single : A 4 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.3) USER MOD Single : A 11 THR OG1 : rot -153:sc= -2.99! USER MOD Single : A 14 GLN :FLIP amide:sc= -1.24 F(o=-2.3!,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0.429 (180deg=0.359) USER MOD Single : A 18 GLN : amide:sc= -0.521 K(o=-0.52,f=-7.9!) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= 1.26 (180deg=0.891) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -63:sc= 1.15 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.012) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.014) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.139 K(o=0.14,f=-0.65) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.970 9.637 -4.925 1.00 0.00 N ATOM 2 CA ALA A 1 -5.890 8.552 -5.236 1.00 0.00 C ATOM 3 C ALA A 1 -6.719 8.981 -6.429 1.00 0.00 C ATOM 4 O ALA A 1 -6.514 10.083 -6.940 1.00 0.00 O ATOM 5 CB ALA A 1 -6.751 8.208 -4.030 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.385 9.372 -4.107 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.357 9.818 -5.745 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.510 10.497 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.344 7.642 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.430 7.395 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.112 7.899 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.329 9.083 -3.734 1.00 0.00 H new ATOM 13 N ASP A 2 -7.654 8.161 -6.861 1.00 0.00 N ATOM 14 CA ASP A 2 -8.420 8.465 -8.065 1.00 0.00 C ATOM 15 C ASP A 2 -9.615 9.338 -7.744 1.00 0.00 C ATOM 16 O ASP A 2 -9.851 10.355 -8.393 1.00 0.00 O ATOM 17 CB ASP A 2 -8.860 7.167 -8.775 1.00 0.00 C ATOM 18 CG ASP A 2 -9.737 7.403 -9.991 1.00 0.00 C ATOM 19 OD1 ASP A 2 -9.220 7.845 -11.046 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.950 7.111 -9.936 1.00 0.00 O ATOM 0 H ASP A 2 -7.905 7.284 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.774 9.021 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.973 6.612 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.400 6.540 -8.065 1.00 0.00 H new ATOM 25 N LYS A 3 -10.346 8.961 -6.742 1.00 0.00 N ATOM 26 CA LYS A 3 -11.530 9.693 -6.357 1.00 0.00 C ATOM 27 C LYS A 3 -11.284 10.531 -5.107 1.00 0.00 C ATOM 28 O LYS A 3 -11.865 11.607 -4.949 1.00 0.00 O ATOM 29 CB LYS A 3 -12.675 8.713 -6.155 1.00 0.00 C ATOM 30 CG LYS A 3 -12.922 7.881 -7.393 1.00 0.00 C ATOM 31 CD LYS A 3 -13.893 6.759 -7.147 1.00 0.00 C ATOM 32 CE LYS A 3 -13.940 5.825 -8.347 1.00 0.00 C ATOM 33 NZ LYS A 3 -12.584 5.341 -8.714 1.00 0.00 N ATOM 0 H LYS A 3 -10.148 8.143 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.794 10.390 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -12.449 8.057 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.582 9.260 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.305 8.522 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.976 7.469 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.598 6.203 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.886 7.165 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.583 4.974 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.384 6.344 -9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.653 4.380 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.170 5.976 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.979 5.328 -7.868 1.00 0.00 H new ATOM 47 N GLN A 4 -10.418 10.055 -4.239 1.00 0.00 N ATOM 48 CA GLN A 4 -10.111 10.765 -3.007 1.00 0.00 C ATOM 49 C GLN A 4 -8.772 11.485 -3.156 1.00 0.00 C ATOM 50 O GLN A 4 -7.875 10.984 -3.849 1.00 0.00 O ATOM 51 CB GLN A 4 -9.987 9.773 -1.842 1.00 0.00 C ATOM 52 CG GLN A 4 -9.994 10.420 -0.472 1.00 0.00 C ATOM 53 CD GLN A 4 -11.367 10.892 -0.079 1.00 0.00 C ATOM 54 OE1 GLN A 4 -12.130 10.137 0.501 1.00 0.00 O ATOM 55 NE2 GLN A 4 -11.696 12.112 -0.381 1.00 0.00 N ATOM 0 H GLN A 4 -9.911 9.178 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 4 -10.912 11.477 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.809 9.059 -1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.063 9.206 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.630 9.707 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.305 11.264 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.031 12.714 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.619 12.468 -0.133 1.00 0.00 H new ATOM 64 N THR A 5 -8.631 12.642 -2.553 1.00 0.00 N ATOM 65 CA THR A 5 -7.355 13.295 -2.500 1.00 0.00 C ATOM 66 C THR A 5 -6.412 12.497 -1.588 1.00 0.00 C ATOM 67 O THR A 5 -6.854 11.898 -0.588 1.00 0.00 O ATOM 68 CB THR A 5 -7.502 14.762 -2.027 1.00 0.00 C ATOM 69 OG1 THR A 5 -8.492 14.848 -0.979 1.00 0.00 O ATOM 70 CG2 THR A 5 -7.901 15.663 -3.183 1.00 0.00 C ATOM 0 H THR A 5 -9.389 13.147 -2.093 1.00 0.00 H new ATOM 0 HA THR A 5 -6.925 13.327 -3.501 1.00 0.00 H new ATOM 0 HB THR A 5 -6.538 15.095 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.577 15.779 -0.685 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.999 16.689 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.137 15.619 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.854 15.329 -3.593 1.00 0.00 H new ATOM 78 N HIS A 6 -5.151 12.418 -1.952 1.00 0.00 N ATOM 79 CA HIS A 6 -4.215 11.655 -1.174 1.00 0.00 C ATOM 80 C HIS A 6 -3.872 12.445 0.091 1.00 0.00 C ATOM 81 O HIS A 6 -3.451 13.602 0.010 1.00 0.00 O ATOM 82 CB HIS A 6 -2.957 11.330 -1.999 1.00 0.00 C ATOM 83 CG HIS A 6 -2.250 10.066 -1.575 1.00 0.00 C ATOM 84 ND1 HIS A 6 -1.784 9.113 -2.463 1.00 0.00 N ATOM 85 CD2 HIS A 6 -1.937 9.600 -0.339 1.00 0.00 C ATOM 86 CE1 HIS A 6 -1.224 8.131 -1.756 1.00 0.00 C ATOM 87 NE2 HIS A 6 -1.290 8.376 -0.460 1.00 0.00 N ATOM 0 H HIS A 6 -4.757 12.871 -2.777 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.659 10.702 -0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.237 11.242 -3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.261 12.165 -1.924 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.856 9.154 -3.480 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -2.156 10.102 0.592 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -0.774 7.249 -2.188 1.00 0.00 H new ATOM 95 N GLU A 7 -4.079 11.803 1.238 1.00 0.00 N ATOM 96 CA GLU A 7 -3.903 12.382 2.574 1.00 0.00 C ATOM 97 C GLU A 7 -5.057 13.319 2.904 1.00 0.00 C ATOM 98 O GLU A 7 -4.990 14.538 2.727 1.00 0.00 O ATOM 99 CB GLU A 7 -2.522 13.027 2.793 1.00 0.00 C ATOM 100 CG GLU A 7 -1.375 12.059 2.562 1.00 0.00 C ATOM 101 CD GLU A 7 -0.031 12.670 2.802 1.00 0.00 C ATOM 102 OE1 GLU A 7 0.579 12.416 3.867 1.00 0.00 O ATOM 103 OE2 GLU A 7 0.456 13.409 1.923 1.00 0.00 O ATOM 0 H GLU A 7 -4.385 10.830 1.267 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.927 11.557 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.413 13.878 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.465 13.415 3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.498 11.197 3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.421 11.689 1.538 1.00 0.00 H new ATOM 110 N THR A 8 -6.140 12.695 3.280 1.00 0.00 N ATOM 111 CA THR A 8 -7.407 13.271 3.629 1.00 0.00 C ATOM 112 C THR A 8 -8.092 12.100 4.349 1.00 0.00 C ATOM 113 O THR A 8 -7.481 11.033 4.409 1.00 0.00 O ATOM 114 CB THR A 8 -8.197 13.631 2.309 1.00 0.00 C ATOM 115 OG1 THR A 8 -7.394 14.481 1.472 1.00 0.00 O ATOM 116 CG2 THR A 8 -9.501 14.351 2.596 1.00 0.00 C ATOM 0 H THR A 8 -6.158 11.678 3.356 1.00 0.00 H new ATOM 0 HA THR A 8 -7.346 14.183 4.223 1.00 0.00 H new ATOM 0 HB THR A 8 -8.421 12.688 1.811 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.891 14.701 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.006 14.577 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.140 13.715 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.294 15.279 3.129 1.00 0.00 H new ATOM 124 N GLU A 9 -9.253 12.260 4.933 1.00 0.00 N ATOM 125 CA GLU A 9 -9.953 11.096 5.468 1.00 0.00 C ATOM 126 C GLU A 9 -10.532 10.317 4.294 1.00 0.00 C ATOM 127 O GLU A 9 -11.101 10.914 3.379 1.00 0.00 O ATOM 128 CB GLU A 9 -11.054 11.485 6.464 1.00 0.00 C ATOM 129 CG GLU A 9 -12.139 12.390 5.907 1.00 0.00 C ATOM 130 CD GLU A 9 -13.214 12.657 6.913 1.00 0.00 C ATOM 131 OE1 GLU A 9 -14.253 11.971 6.887 1.00 0.00 O ATOM 132 OE2 GLU A 9 -13.031 13.547 7.770 1.00 0.00 O ATOM 0 H GLU A 9 -9.731 13.153 5.053 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.247 10.480 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.520 10.574 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.591 11.982 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.697 13.334 5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.577 11.929 5.021 1.00 0.00 H new ATOM 139 N LEU A 10 -10.356 9.018 4.275 1.00 0.00 N ATOM 140 CA LEU A 10 -10.822 8.247 3.147 1.00 0.00 C ATOM 141 C LEU A 10 -11.561 7.001 3.603 1.00 0.00 C ATOM 142 O LEU A 10 -11.543 6.660 4.785 1.00 0.00 O ATOM 143 CB LEU A 10 -9.669 7.810 2.222 1.00 0.00 C ATOM 144 CG LEU A 10 -8.316 8.526 2.283 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.524 8.127 3.529 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.535 8.190 1.048 1.00 0.00 C ATOM 0 H LEU A 10 -9.902 8.480 5.013 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.494 8.902 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.484 6.753 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.030 7.889 1.197 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.492 9.600 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.570 8.655 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.093 8.390 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.344 7.052 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.569 8.694 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.380 7.112 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.087 8.519 0.168 1.00 0.00 H new ATOM 158 N THR A 11 -12.184 6.326 2.662 1.00 0.00 N ATOM 159 CA THR A 11 -12.911 5.095 2.927 1.00 0.00 C ATOM 160 C THR A 11 -12.036 3.932 2.500 1.00 0.00 C ATOM 161 O THR A 11 -10.934 4.154 1.980 1.00 0.00 O ATOM 162 CB THR A 11 -14.241 5.043 2.128 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.957 4.806 0.741 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.972 6.370 2.231 1.00 0.00 C ATOM 0 H THR A 11 -12.203 6.614 1.684 1.00 0.00 H new ATOM 0 HA THR A 11 -13.150 5.045 3.989 1.00 0.00 H new ATOM 0 HB THR A 11 -14.858 4.245 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.675 5.183 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.902 6.318 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.194 6.583 3.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.345 7.163 1.825 1.00 0.00 H new ATOM 172 N PHE A 12 -12.520 2.715 2.672 1.00 0.00 N ATOM 173 CA PHE A 12 -11.759 1.530 2.309 1.00 0.00 C ATOM 174 C PHE A 12 -11.425 1.527 0.816 1.00 0.00 C ATOM 175 O PHE A 12 -10.306 1.233 0.375 1.00 0.00 O ATOM 176 CB PHE A 12 -12.527 0.255 2.712 1.00 0.00 C ATOM 177 CG PHE A 12 -11.879 -1.016 2.249 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.620 -1.369 2.691 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.528 -1.852 1.362 1.00 0.00 C ATOM 180 CE1 PHE A 12 -10.018 -2.530 2.253 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.931 -3.015 0.926 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.671 -3.352 1.373 1.00 0.00 C ATOM 0 H PHE A 12 -13.442 2.520 3.063 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.816 1.546 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.623 0.228 3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.536 0.306 2.304 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.100 -0.729 3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.514 -1.592 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.031 -2.791 2.604 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.450 -3.662 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.200 -4.262 1.030 1.00 0.00 H new ATOM 192 N ASP A 13 -12.414 1.952 0.087 1.00 0.00 N ATOM 193 CA ASP A 13 -12.295 2.107 -1.365 1.00 0.00 C ATOM 194 C ASP A 13 -11.339 3.193 -1.764 1.00 0.00 C ATOM 195 O ASP A 13 -10.597 3.062 -2.738 1.00 0.00 O ATOM 196 CB ASP A 13 -13.637 2.258 -2.058 1.00 0.00 C ATOM 197 CG ASP A 13 -14.391 0.961 -2.114 1.00 0.00 C ATOM 198 OD1 ASP A 13 -14.154 0.161 -3.038 1.00 0.00 O ATOM 199 OD2 ASP A 13 -15.232 0.705 -1.237 1.00 0.00 O ATOM 0 H ASP A 13 -13.328 2.204 0.462 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.866 1.169 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.235 3.002 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.482 2.631 -3.070 1.00 0.00 H new ATOM 204 N GLN A 14 -11.298 4.225 -0.971 1.00 0.00 N ATOM 205 CA GLN A 14 -10.473 5.372 -1.262 1.00 0.00 C ATOM 206 C GLN A 14 -9.022 5.055 -0.908 1.00 0.00 C ATOM 207 O GLN A 14 -8.086 5.495 -1.575 1.00 0.00 O ATOM 208 CB GLN A 14 -10.976 6.581 -0.521 1.00 0.00 C ATOM 209 CG GLN A 14 -12.443 6.892 -0.767 1.00 0.00 C ATOM 210 CD GLN A 14 -12.778 7.255 -2.190 1.00 0.00 C ATOM 211 OE1 GLN A 14 -12.898 8.520 -2.444 1.00 0.00 O flip ATOM 212 NE2 GLN A 14 -13.024 6.385 -3.029 1.00 0.00 N flip ATOM 0 H GLN A 14 -11.832 4.299 -0.105 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.524 5.601 -2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.822 6.430 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.379 7.446 -0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.038 6.026 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.740 7.715 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.917 5.400 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.335 6.651 -3.963 1.00 0.00 H new ATOM 221 N VAL A 15 -8.852 4.292 0.176 1.00 0.00 N ATOM 222 CA VAL A 15 -7.541 3.924 0.677 1.00 0.00 C ATOM 223 C VAL A 15 -6.938 2.939 -0.249 1.00 0.00 C ATOM 224 O VAL A 15 -5.727 2.972 -0.504 1.00 0.00 O ATOM 225 CB VAL A 15 -7.551 3.398 2.140 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.216 2.776 2.482 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.779 4.539 3.095 1.00 0.00 C ATOM 0 H VAL A 15 -9.625 3.916 0.725 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.935 4.829 0.713 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.347 2.659 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.237 2.412 3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.018 1.944 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.429 3.523 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.785 4.162 4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.980 5.272 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.737 5.010 2.877 1.00 0.00 H new ATOM 237 N LYS A 16 -7.765 2.070 -0.781 1.00 0.00 N ATOM 238 CA LYS A 16 -7.333 1.175 -1.799 1.00 0.00 C ATOM 239 C LYS A 16 -6.717 1.980 -2.924 1.00 0.00 C ATOM 240 O LYS A 16 -5.614 1.712 -3.334 1.00 0.00 O ATOM 241 CB LYS A 16 -8.503 0.321 -2.311 1.00 0.00 C ATOM 242 CG LYS A 16 -8.781 -0.950 -1.495 1.00 0.00 C ATOM 243 CD LYS A 16 -9.820 -1.880 -2.157 1.00 0.00 C ATOM 244 CE LYS A 16 -11.201 -1.246 -2.235 1.00 0.00 C ATOM 245 NZ LYS A 16 -12.207 -2.121 -2.889 1.00 0.00 N ATOM 0 H LYS A 16 -8.745 1.973 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.589 0.491 -1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.404 0.934 -2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.301 0.036 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.848 -1.497 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.135 -0.668 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.485 -2.138 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.882 -2.811 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.540 -1.002 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.133 -0.307 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.070 -1.574 -3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.821 -2.485 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.435 -2.918 -2.261 1.00 0.00 H new ATOM 259 N GLU A 17 -7.391 3.024 -3.328 1.00 0.00 N ATOM 260 CA GLU A 17 -6.879 3.901 -4.347 1.00 0.00 C ATOM 261 C GLU A 17 -5.580 4.627 -3.953 1.00 0.00 C ATOM 262 O GLU A 17 -4.801 4.973 -4.836 1.00 0.00 O ATOM 263 CB GLU A 17 -7.907 4.908 -4.787 1.00 0.00 C ATOM 264 CG GLU A 17 -9.105 4.317 -5.472 1.00 0.00 C ATOM 265 CD GLU A 17 -10.073 5.376 -5.912 1.00 0.00 C ATOM 266 OE1 GLU A 17 -11.121 5.019 -6.515 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.797 6.584 -5.677 1.00 0.00 O ATOM 0 H GLU A 17 -8.305 3.289 -2.962 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.637 3.242 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.243 5.470 -3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.433 5.621 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.781 3.739 -6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.606 3.625 -4.795 1.00 0.00 H new ATOM 274 N GLN A 18 -5.320 4.866 -2.641 1.00 0.00 N ATOM 275 CA GLN A 18 -4.115 5.592 -2.255 1.00 0.00 C ATOM 276 C GLN A 18 -2.939 4.686 -2.478 1.00 0.00 C ATOM 277 O GLN A 18 -1.936 5.046 -3.105 1.00 0.00 O ATOM 278 CB GLN A 18 -4.187 6.193 -0.811 1.00 0.00 C ATOM 279 CG GLN A 18 -3.878 5.243 0.320 1.00 0.00 C ATOM 280 CD GLN A 18 -3.839 5.889 1.689 1.00 0.00 C ATOM 281 OE1 GLN A 18 -3.101 5.466 2.536 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.630 6.889 1.922 1.00 0.00 N ATOM 0 H GLN A 18 -5.916 4.572 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.006 6.476 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.493 7.032 -0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.188 6.596 -0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.627 4.451 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.915 4.770 0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.249 7.232 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.634 7.333 2.840 1.00 0.00 H new ATOM 291 N LEU A 19 -3.099 3.512 -1.966 1.00 0.00 N ATOM 292 CA LEU A 19 -2.120 2.490 -1.975 1.00 0.00 C ATOM 293 C LEU A 19 -1.847 2.001 -3.371 1.00 0.00 C ATOM 294 O LEU A 19 -0.692 1.815 -3.752 1.00 0.00 O ATOM 295 CB LEU A 19 -2.602 1.397 -1.081 1.00 0.00 C ATOM 296 CG LEU A 19 -2.540 1.665 0.424 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.180 0.534 1.175 1.00 0.00 C ATOM 298 CD2 LEU A 19 -1.099 1.854 0.888 1.00 0.00 C ATOM 0 H LEU A 19 -3.965 3.230 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.168 2.873 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.635 1.172 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.017 0.502 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.086 2.586 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.131 0.734 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.222 0.439 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.652 -0.394 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.084 2.043 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.525 0.953 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.656 2.701 0.364 1.00 0.00 H new ATOM 310 N THR A 20 -2.901 1.878 -4.135 1.00 0.00 N ATOM 311 CA THR A 20 -2.811 1.474 -5.509 1.00 0.00 C ATOM 312 C THR A 20 -1.934 2.442 -6.265 1.00 0.00 C ATOM 313 O THR A 20 -0.948 2.049 -6.857 1.00 0.00 O ATOM 314 CB THR A 20 -4.227 1.422 -6.117 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.922 0.297 -5.589 1.00 0.00 O ATOM 316 CG2 THR A 20 -4.230 1.406 -7.642 1.00 0.00 C ATOM 0 H THR A 20 -3.853 2.058 -3.816 1.00 0.00 H new ATOM 0 HA THR A 20 -2.365 0.482 -5.578 1.00 0.00 H new ATOM 0 HB THR A 20 -4.740 2.341 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.746 0.225 -4.628 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.258 1.369 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.746 2.308 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.689 0.529 -7.998 1.00 0.00 H new ATOM 324 N GLU A 21 -2.226 3.700 -6.096 1.00 0.00 N ATOM 325 CA GLU A 21 -1.546 4.775 -6.767 1.00 0.00 C ATOM 326 C GLU A 21 -0.059 4.804 -6.389 1.00 0.00 C ATOM 327 O GLU A 21 0.812 4.955 -7.234 1.00 0.00 O ATOM 328 CB GLU A 21 -2.257 6.039 -6.355 1.00 0.00 C ATOM 329 CG GLU A 21 -1.630 7.331 -6.787 1.00 0.00 C ATOM 330 CD GLU A 21 -2.426 8.502 -6.310 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.299 8.991 -7.050 1.00 0.00 O ATOM 332 OE2 GLU A 21 -2.223 8.963 -5.160 1.00 0.00 O ATOM 0 H GLU A 21 -2.966 4.017 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.573 4.654 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.272 6.004 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.338 6.046 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.614 7.394 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.555 7.357 -7.874 1.00 0.00 H new ATOM 339 N SER A 22 0.189 4.623 -5.120 1.00 0.00 N ATOM 340 CA SER A 22 1.539 4.636 -4.572 1.00 0.00 C ATOM 341 C SER A 22 2.360 3.485 -5.148 1.00 0.00 C ATOM 342 O SER A 22 3.490 3.675 -5.606 1.00 0.00 O ATOM 343 CB SER A 22 1.478 4.553 -3.050 1.00 0.00 C ATOM 344 OG SER A 22 0.677 5.608 -2.533 1.00 0.00 O ATOM 0 H SER A 22 -0.538 4.460 -4.423 1.00 0.00 H new ATOM 0 HA SER A 22 2.029 5.569 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.065 3.591 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.484 4.613 -2.635 1.00 0.00 H new ATOM 0 HG SER A 22 -0.266 5.428 -2.728 1.00 0.00 H new ATOM 350 N GLY A 23 1.759 2.312 -5.172 1.00 0.00 N ATOM 351 CA GLY A 23 2.399 1.143 -5.717 1.00 0.00 C ATOM 352 C GLY A 23 2.662 1.286 -7.191 1.00 0.00 C ATOM 353 O GLY A 23 3.635 0.780 -7.698 1.00 0.00 O ATOM 0 H GLY A 23 0.818 2.148 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.340 0.967 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.770 0.270 -5.543 1.00 0.00 H new ATOM 357 N LYS A 24 1.778 1.990 -7.852 1.00 0.00 N ATOM 358 CA LYS A 24 1.892 2.254 -9.272 1.00 0.00 C ATOM 359 C LYS A 24 3.095 3.118 -9.611 1.00 0.00 C ATOM 360 O LYS A 24 3.696 2.978 -10.682 1.00 0.00 O ATOM 361 CB LYS A 24 0.611 2.867 -9.764 1.00 0.00 C ATOM 362 CG LYS A 24 -0.560 1.895 -9.713 1.00 0.00 C ATOM 363 CD LYS A 24 -0.487 0.848 -10.808 1.00 0.00 C ATOM 364 CE LYS A 24 -0.720 1.471 -12.157 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.359 0.590 -13.277 1.00 0.00 N ATOM 0 H LYS A 24 0.951 2.401 -7.420 1.00 0.00 H new ATOM 0 HA LYS A 24 2.058 1.306 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.377 3.744 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.748 3.212 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.577 1.401 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.494 2.449 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.489 0.363 -10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.231 0.073 -10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.771 1.746 -12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.142 2.392 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.996 0.769 -14.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.622 0.779 -13.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.447 -0.403 -12.980 1.00 0.00 H new ATOM 379 N LYS A 25 3.455 3.996 -8.701 1.00 0.00 N ATOM 380 CA LYS A 25 4.595 4.871 -8.872 1.00 0.00 C ATOM 381 C LYS A 25 5.875 4.095 -8.680 1.00 0.00 C ATOM 382 O LYS A 25 6.840 4.250 -9.415 1.00 0.00 O ATOM 383 CB LYS A 25 4.548 5.976 -7.824 1.00 0.00 C ATOM 384 CG LYS A 25 3.283 6.790 -7.841 1.00 0.00 C ATOM 385 CD LYS A 25 3.278 7.821 -6.733 1.00 0.00 C ATOM 386 CE LYS A 25 1.937 8.502 -6.659 1.00 0.00 C ATOM 387 NZ LYS A 25 1.901 9.598 -5.658 1.00 0.00 N ATOM 0 H LYS A 25 2.963 4.124 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 25 4.563 5.294 -9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.666 5.530 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.397 6.642 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.182 7.288 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.422 6.131 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.503 7.342 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.059 8.560 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.685 8.904 -7.640 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.174 7.765 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.955 10.030 -5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.114 9.214 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.609 10.318 -5.906 1.00 0.00 H new ATOM 401 N ARG A 26 5.859 3.256 -7.681 1.00 0.00 N ATOM 402 CA ARG A 26 7.050 2.533 -7.262 1.00 0.00 C ATOM 403 C ARG A 26 7.279 1.267 -8.067 1.00 0.00 C ATOM 404 O ARG A 26 8.369 0.996 -8.585 1.00 0.00 O ATOM 405 CB ARG A 26 6.939 2.143 -5.797 1.00 0.00 C ATOM 406 CG ARG A 26 6.669 3.282 -4.856 1.00 0.00 C ATOM 407 CD ARG A 26 6.526 2.766 -3.450 1.00 0.00 C ATOM 408 NE ARG A 26 6.021 3.785 -2.549 1.00 0.00 N ATOM 409 CZ ARG A 26 5.441 3.529 -1.377 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.405 2.287 -0.908 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.929 4.520 -0.660 1.00 0.00 N ATOM 0 H ARG A 26 5.027 3.048 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 26 7.891 3.207 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.141 1.408 -5.692 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.865 1.654 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.483 4.006 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.760 3.804 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.852 1.910 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.493 2.412 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 26 6.116 4.761 -2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.822 1.527 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.960 2.093 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.979 5.478 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.485 4.324 0.237 1.00 0.00 H new ATOM 425 N GLY A 27 6.220 0.504 -8.156 1.00 0.00 N ATOM 426 CA GLY A 27 6.237 -0.795 -8.742 1.00 0.00 C ATOM 427 C GLY A 27 6.227 -1.817 -7.647 1.00 0.00 C ATOM 428 O GLY A 27 6.366 -3.021 -7.888 1.00 0.00 O ATOM 0 H GLY A 27 5.302 0.784 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.371 -0.928 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.123 -0.917 -9.364 1.00 0.00 H new ATOM 432 N VAL A 28 6.020 -1.337 -6.427 1.00 0.00 N ATOM 433 CA VAL A 28 6.090 -2.169 -5.270 1.00 0.00 C ATOM 434 C VAL A 28 5.440 -1.475 -4.074 1.00 0.00 C ATOM 435 O VAL A 28 5.266 -0.247 -4.080 1.00 0.00 O ATOM 436 CB VAL A 28 7.565 -2.505 -4.961 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.329 -1.314 -4.432 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.690 -3.685 -4.069 1.00 0.00 C ATOM 0 H VAL A 28 5.801 -0.361 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 28 5.547 -3.094 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 28 8.027 -2.772 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.360 -1.604 -4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.315 -0.514 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.864 -0.964 -3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.744 -3.886 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.182 -3.484 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.236 -4.553 -4.548 1.00 0.00 H new ATOM 448 N LEU A 29 5.030 -2.279 -3.122 1.00 0.00 N ATOM 449 CA LEU A 29 4.473 -1.846 -1.867 1.00 0.00 C ATOM 450 C LEU A 29 4.782 -2.896 -0.811 1.00 0.00 C ATOM 451 O LEU A 29 4.780 -4.076 -1.124 1.00 0.00 O ATOM 452 CB LEU A 29 2.951 -1.736 -1.964 1.00 0.00 C ATOM 453 CG LEU A 29 2.345 -0.565 -2.718 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.853 -0.771 -2.843 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.609 0.732 -1.984 1.00 0.00 C ATOM 0 H LEU A 29 5.078 -3.294 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 29 4.901 -0.876 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.584 -2.652 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.557 -1.713 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 29 2.800 -0.510 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.414 0.067 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.658 -1.695 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.410 -0.834 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.168 1.560 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.165 0.684 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.684 0.887 -1.895 1.00 0.00 H new ATOM 467 N THR A 30 5.082 -2.489 0.401 1.00 0.00 N ATOM 468 CA THR A 30 5.212 -3.438 1.503 1.00 0.00 C ATOM 469 C THR A 30 3.817 -3.895 1.973 1.00 0.00 C ATOM 470 O THR A 30 2.874 -3.092 1.995 1.00 0.00 O ATOM 471 CB THR A 30 5.965 -2.856 2.747 1.00 0.00 C ATOM 472 OG1 THR A 30 5.461 -1.577 3.128 1.00 0.00 O ATOM 473 CG2 THR A 30 7.467 -2.795 2.586 1.00 0.00 C ATOM 0 H THR A 30 5.241 -1.514 0.657 1.00 0.00 H new ATOM 0 HA THR A 30 5.799 -4.267 1.109 1.00 0.00 H new ATOM 0 HB THR A 30 5.764 -3.569 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.620 -0.934 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.913 -2.381 3.490 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.856 -3.799 2.417 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.716 -2.161 1.735 1.00 0.00 H new ATOM 481 N TYR A 31 3.690 -5.167 2.367 1.00 0.00 N ATOM 482 CA TYR A 31 2.424 -5.693 2.903 1.00 0.00 C ATOM 483 C TYR A 31 1.990 -4.892 4.122 1.00 0.00 C ATOM 484 O TYR A 31 0.796 -4.655 4.333 1.00 0.00 O ATOM 485 CB TYR A 31 2.534 -7.173 3.345 1.00 0.00 C ATOM 486 CG TYR A 31 2.842 -8.196 2.271 1.00 0.00 C ATOM 487 CD1 TYR A 31 3.925 -9.049 2.401 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.050 -8.317 1.143 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.215 -9.991 1.439 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.330 -9.260 0.174 1.00 0.00 C ATOM 491 CZ TYR A 31 3.414 -10.093 0.326 1.00 0.00 C ATOM 492 OH TYR A 31 3.699 -11.031 -0.642 1.00 0.00 O ATOM 0 H TYR A 31 4.445 -5.852 2.326 1.00 0.00 H new ATOM 0 HA TYR A 31 1.699 -5.612 2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.309 -7.241 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.594 -7.454 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.555 -8.974 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.199 -7.663 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.066 -10.645 1.558 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.701 -9.343 -0.700 1.00 0.00 H new ATOM 0 HH TYR A 31 3.035 -10.972 -1.361 1.00 0.00 H new ATOM 502 N GLU A 32 2.965 -4.453 4.912 1.00 0.00 N ATOM 503 CA GLU A 32 2.668 -3.789 6.157 1.00 0.00 C ATOM 504 C GLU A 32 2.118 -2.368 5.959 1.00 0.00 C ATOM 505 O GLU A 32 1.255 -1.943 6.714 1.00 0.00 O ATOM 506 CB GLU A 32 3.864 -3.784 7.106 1.00 0.00 C ATOM 507 CG GLU A 32 3.465 -3.426 8.527 1.00 0.00 C ATOM 508 CD GLU A 32 4.615 -3.328 9.479 1.00 0.00 C ATOM 509 OE1 GLU A 32 4.830 -2.245 10.043 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.302 -4.331 9.710 1.00 0.00 O ATOM 0 H GLU A 32 3.959 -4.549 4.706 1.00 0.00 H new ATOM 0 HA GLU A 32 1.876 -4.376 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.336 -4.767 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.607 -3.071 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.935 -2.473 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.765 -4.176 8.896 1.00 0.00 H new ATOM 517 N GLU A 33 2.559 -1.647 4.926 1.00 0.00 N ATOM 518 CA GLU A 33 2.060 -0.277 4.742 1.00 0.00 C ATOM 519 C GLU A 33 0.647 -0.346 4.222 1.00 0.00 C ATOM 520 O GLU A 33 -0.197 0.512 4.510 1.00 0.00 O ATOM 521 CB GLU A 33 2.956 0.544 3.813 1.00 0.00 C ATOM 522 CG GLU A 33 2.925 0.129 2.358 1.00 0.00 C ATOM 523 CD GLU A 33 3.998 0.791 1.563 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.952 0.104 1.165 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.949 2.018 1.363 1.00 0.00 O ATOM 0 H GLU A 33 3.232 -1.968 4.230 1.00 0.00 H new ATOM 0 HA GLU A 33 2.074 0.236 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.662 1.591 3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.983 0.477 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.037 -0.953 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.953 0.377 1.931 1.00 0.00 H new ATOM 532 N ILE A 34 0.385 -1.410 3.489 1.00 0.00 N ATOM 533 CA ILE A 34 -0.915 -1.683 2.979 1.00 0.00 C ATOM 534 C ILE A 34 -1.844 -2.011 4.132 1.00 0.00 C ATOM 535 O ILE A 34 -2.953 -1.485 4.219 1.00 0.00 O ATOM 536 CB ILE A 34 -0.877 -2.827 1.951 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.000 -2.419 0.765 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.282 -3.171 1.493 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.216 -3.511 -0.250 1.00 0.00 C ATOM 0 H ILE A 34 1.085 -2.107 3.236 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.290 -0.800 2.461 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.449 -3.716 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.456 -1.562 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.969 -2.091 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.239 -3.982 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.878 -3.483 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.739 -2.295 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.848 -3.138 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.702 -4.361 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.745 -3.824 -0.657 1.00 0.00 H new ATOM 551 N ALA A 35 -1.342 -2.813 5.082 1.00 0.00 N ATOM 552 CA ALA A 35 -2.072 -3.217 6.254 1.00 0.00 C ATOM 553 C ALA A 35 -2.324 -2.026 7.162 1.00 0.00 C ATOM 554 O ALA A 35 -3.359 -1.934 7.809 1.00 0.00 O ATOM 555 CB ALA A 35 -1.328 -4.316 7.000 1.00 0.00 C ATOM 0 H ALA A 35 -0.398 -3.197 5.040 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.036 -3.615 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.898 -4.606 7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.205 -5.180 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.348 -3.949 7.305 1.00 0.00 H new ATOM 561 N GLU A 36 -1.354 -1.107 7.172 1.00 0.00 N ATOM 562 CA GLU A 36 -1.358 0.063 8.022 1.00 0.00 C ATOM 563 C GLU A 36 -2.573 0.904 7.792 1.00 0.00 C ATOM 564 O GLU A 36 -3.333 1.170 8.707 1.00 0.00 O ATOM 565 CB GLU A 36 -0.112 0.920 7.776 1.00 0.00 C ATOM 566 CG GLU A 36 -0.109 2.228 8.557 1.00 0.00 C ATOM 567 CD GLU A 36 1.029 3.129 8.187 1.00 0.00 C ATOM 568 OE1 GLU A 36 0.902 3.911 7.235 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.060 3.095 8.849 1.00 0.00 O ATOM 0 H GLU A 36 -0.531 -1.167 6.572 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.362 -0.294 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.774 0.344 8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.038 1.142 6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.050 2.750 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.059 2.008 9.623 1.00 0.00 H new ATOM 576 N ARG A 37 -2.787 1.296 6.553 1.00 0.00 N ATOM 577 CA ARG A 37 -3.893 2.152 6.195 1.00 0.00 C ATOM 578 C ARG A 37 -5.195 1.399 6.329 1.00 0.00 C ATOM 579 O ARG A 37 -6.232 1.969 6.654 1.00 0.00 O ATOM 580 CB ARG A 37 -3.692 2.640 4.772 1.00 0.00 C ATOM 581 CG ARG A 37 -2.323 3.248 4.544 1.00 0.00 C ATOM 582 CD ARG A 37 -2.110 4.486 5.396 1.00 0.00 C ATOM 583 NE ARG A 37 -0.707 4.902 5.410 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.186 5.901 4.707 1.00 0.00 C ATOM 585 NH1 ARG A 37 -0.907 6.523 3.790 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.081 6.243 4.893 1.00 0.00 N ATOM 0 H ARG A 37 -2.196 1.028 5.766 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.933 3.011 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.833 1.806 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.456 3.380 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.554 2.511 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.210 3.507 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.727 5.300 5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.440 4.287 6.416 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.073 4.378 6.013 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.871 6.237 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.500 7.289 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.651 5.740 5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.486 7.009 4.356 1.00 0.00 H new ATOM 600 N MET A 38 -5.124 0.101 6.174 1.00 0.00 N ATOM 601 CA MET A 38 -6.300 -0.715 6.299 1.00 0.00 C ATOM 602 C MET A 38 -6.585 -1.037 7.743 1.00 0.00 C ATOM 603 O MET A 38 -7.564 -1.681 8.045 1.00 0.00 O ATOM 604 CB MET A 38 -6.215 -1.988 5.480 1.00 0.00 C ATOM 605 CG MET A 38 -6.023 -1.747 4.008 1.00 0.00 C ATOM 606 SD MET A 38 -7.331 -0.752 3.290 1.00 0.00 S ATOM 607 CE MET A 38 -6.828 -0.758 1.580 1.00 0.00 C ATOM 0 H MET A 38 -4.267 -0.410 5.962 1.00 0.00 H new ATOM 0 HA MET A 38 -7.127 -0.129 5.899 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.388 -2.594 5.851 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.126 -2.567 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.066 -1.251 3.848 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.976 -2.705 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.120 0.182 1.112 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.746 -0.873 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.310 -1.587 1.062 1.00 0.00 H new ATOM 617 N SER A 39 -5.748 -0.552 8.640 1.00 0.00 N ATOM 618 CA SER A 39 -5.966 -0.731 10.052 1.00 0.00 C ATOM 619 C SER A 39 -6.994 0.311 10.520 1.00 0.00 C ATOM 620 O SER A 39 -7.602 0.173 11.575 1.00 0.00 O ATOM 621 CB SER A 39 -4.632 -0.620 10.824 1.00 0.00 C ATOM 622 OG SER A 39 -4.774 -0.971 12.194 1.00 0.00 O ATOM 0 H SER A 39 -4.905 -0.027 8.407 1.00 0.00 H new ATOM 0 HA SER A 39 -6.360 -1.727 10.253 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.890 -1.269 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.255 0.400 10.749 1.00 0.00 H new ATOM 0 HG SER A 39 -3.907 -0.889 12.644 1.00 0.00 H new ATOM 628 N SER A 40 -7.215 1.332 9.681 1.00 0.00 N ATOM 629 CA SER A 40 -8.225 2.344 9.935 1.00 0.00 C ATOM 630 C SER A 40 -9.608 1.704 9.766 1.00 0.00 C ATOM 631 O SER A 40 -10.610 2.191 10.285 1.00 0.00 O ATOM 632 CB SER A 40 -8.051 3.513 8.939 1.00 0.00 C ATOM 633 OG SER A 40 -8.929 4.606 9.211 1.00 0.00 O ATOM 0 H SER A 40 -6.696 1.471 8.814 1.00 0.00 H new ATOM 0 HA SER A 40 -8.123 2.734 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.020 3.864 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.231 3.152 7.926 1.00 0.00 H new ATOM 0 HG SER A 40 -8.778 5.318 8.555 1.00 0.00 H new ATOM 639 N PHE A 41 -9.636 0.637 8.992 1.00 0.00 N ATOM 640 CA PHE A 41 -10.848 -0.123 8.730 1.00 0.00 C ATOM 641 C PHE A 41 -10.848 -1.406 9.518 1.00 0.00 C ATOM 642 O PHE A 41 -11.883 -1.829 10.023 1.00 0.00 O ATOM 643 CB PHE A 41 -10.899 -0.428 7.243 1.00 0.00 C ATOM 644 CG PHE A 41 -10.732 0.813 6.456 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.646 0.963 5.635 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.609 1.874 6.614 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.426 2.136 4.979 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.402 3.053 5.948 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.303 3.185 5.134 1.00 0.00 C ATOM 0 H PHE A 41 -8.810 0.267 8.521 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.721 0.456 9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.114 -1.139 6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.850 -0.899 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.956 0.142 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.463 1.771 7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.564 2.243 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.097 3.872 6.062 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.127 4.115 4.614 1.00 0.00 H new ATOM 659 N GLU A 42 -9.663 -1.969 9.643 1.00 0.00 N ATOM 660 CA GLU A 42 -9.385 -3.244 10.277 1.00 0.00 C ATOM 661 C GLU A 42 -9.727 -4.370 9.329 1.00 0.00 C ATOM 662 O GLU A 42 -10.767 -5.012 9.427 1.00 0.00 O ATOM 663 CB GLU A 42 -10.009 -3.383 11.675 1.00 0.00 C ATOM 664 CG GLU A 42 -9.463 -2.353 12.651 1.00 0.00 C ATOM 665 CD GLU A 42 -10.195 -2.314 13.959 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.968 -3.198 14.803 1.00 0.00 O ATOM 667 OE2 GLU A 42 -10.985 -1.356 14.191 1.00 0.00 O ATOM 0 H GLU A 42 -8.819 -1.523 9.284 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.315 -3.300 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.091 -3.273 11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.816 -4.384 12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.411 -2.567 12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.510 -1.367 12.189 1.00 0.00 H new ATOM 674 N ILE A 43 -8.878 -4.499 8.330 1.00 0.00 N ATOM 675 CA ILE A 43 -9.003 -5.499 7.295 1.00 0.00 C ATOM 676 C ILE A 43 -8.043 -6.629 7.591 1.00 0.00 C ATOM 677 O ILE A 43 -6.858 -6.396 7.858 1.00 0.00 O ATOM 678 CB ILE A 43 -8.650 -4.894 5.908 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.556 -3.712 5.577 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.721 -5.944 4.803 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.986 -4.099 5.320 1.00 0.00 C ATOM 0 H ILE A 43 -8.063 -3.896 8.215 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.031 -5.861 7.274 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.622 -4.535 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.524 -3.000 6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.164 -3.200 4.698 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.468 -5.484 3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.015 -6.747 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.730 -6.352 4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.569 -3.207 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.031 -4.788 4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.397 -4.584 6.206 1.00 0.00 H new ATOM 693 N GLU A 44 -8.545 -7.823 7.543 1.00 0.00 N ATOM 694 CA GLU A 44 -7.762 -9.006 7.795 1.00 0.00 C ATOM 695 C GLU A 44 -6.947 -9.355 6.560 1.00 0.00 C ATOM 696 O GLU A 44 -7.286 -8.919 5.437 1.00 0.00 O ATOM 697 CB GLU A 44 -8.690 -10.148 8.156 1.00 0.00 C ATOM 698 CG GLU A 44 -9.562 -9.844 9.354 1.00 0.00 C ATOM 699 CD GLU A 44 -8.781 -9.680 10.637 1.00 0.00 C ATOM 700 OE1 GLU A 44 -8.280 -8.565 10.915 1.00 0.00 O ATOM 701 OE2 GLU A 44 -8.673 -10.656 11.408 1.00 0.00 O ATOM 0 H GLU A 44 -9.523 -8.013 7.325 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.077 -8.827 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.325 -10.378 7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.097 -11.039 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.126 -8.932 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.288 -10.647 9.479 1.00 0.00 H new ATOM 708 N SER A 45 -5.924 -10.175 6.740 1.00 0.00 N ATOM 709 CA SER A 45 -5.012 -10.535 5.665 1.00 0.00 C ATOM 710 C SER A 45 -5.762 -11.273 4.532 1.00 0.00 C ATOM 711 O SER A 45 -5.382 -11.188 3.366 1.00 0.00 O ATOM 712 CB SER A 45 -3.842 -11.374 6.217 1.00 0.00 C ATOM 713 OG SER A 45 -2.813 -11.540 5.258 1.00 0.00 O ATOM 0 H SER A 45 -5.702 -10.610 7.635 1.00 0.00 H new ATOM 0 HA SER A 45 -4.596 -9.623 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.436 -10.890 7.105 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.211 -12.352 6.527 1.00 0.00 H new ATOM 0 HG SER A 45 -2.089 -12.075 5.645 1.00 0.00 H new ATOM 719 N ASP A 46 -6.875 -11.918 4.887 1.00 0.00 N ATOM 720 CA ASP A 46 -7.725 -12.655 3.934 1.00 0.00 C ATOM 721 C ASP A 46 -8.198 -11.729 2.832 1.00 0.00 C ATOM 722 O ASP A 46 -8.064 -12.022 1.648 1.00 0.00 O ATOM 723 CB ASP A 46 -8.966 -13.217 4.642 1.00 0.00 C ATOM 724 CG ASP A 46 -8.637 -14.001 5.874 1.00 0.00 C ATOM 725 OD1 ASP A 46 -8.646 -13.417 6.966 1.00 0.00 O ATOM 726 OD2 ASP A 46 -8.322 -15.209 5.781 1.00 0.00 O ATOM 0 H ASP A 46 -7.219 -11.947 5.847 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.131 -13.469 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.628 -12.393 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.514 -13.855 3.949 1.00 0.00 H new ATOM 731 N GLN A 47 -8.715 -10.580 3.234 1.00 0.00 N ATOM 732 CA GLN A 47 -9.245 -9.624 2.285 1.00 0.00 C ATOM 733 C GLN A 47 -8.100 -8.855 1.653 1.00 0.00 C ATOM 734 O GLN A 47 -8.180 -8.418 0.505 1.00 0.00 O ATOM 735 CB GLN A 47 -10.208 -8.659 2.956 1.00 0.00 C ATOM 736 CG GLN A 47 -11.231 -9.329 3.859 1.00 0.00 C ATOM 737 CD GLN A 47 -12.432 -8.455 4.141 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.254 -7.168 4.089 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 -13.534 -8.953 4.385 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.778 -10.290 4.210 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.795 -10.168 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.636 -7.941 3.544 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.734 -8.094 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.565 -10.257 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.755 -9.598 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.639 -9.967 4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.340 -8.351 4.553 1.00 0.00 H new ATOM 748 N MET A 48 -7.019 -8.702 2.415 1.00 0.00 N ATOM 749 CA MET A 48 -5.822 -8.038 1.923 1.00 0.00 C ATOM 750 C MET A 48 -5.235 -8.779 0.734 1.00 0.00 C ATOM 751 O MET A 48 -4.789 -8.159 -0.210 1.00 0.00 O ATOM 752 CB MET A 48 -4.742 -7.902 3.004 1.00 0.00 C ATOM 753 CG MET A 48 -4.986 -6.858 4.087 1.00 0.00 C ATOM 754 SD MET A 48 -4.513 -5.158 3.619 1.00 0.00 S ATOM 755 CE MET A 48 -5.569 -4.793 2.220 1.00 0.00 C ATOM 0 H MET A 48 -6.951 -9.031 3.378 1.00 0.00 H new ATOM 0 HA MET A 48 -6.134 -7.039 1.619 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.620 -8.871 3.487 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.797 -7.669 2.513 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.043 -6.868 4.352 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.431 -7.143 4.981 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.438 -3.751 1.928 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.303 -5.440 1.384 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.610 -4.965 2.495 1.00 0.00 H new ATOM 765 N ASP A 49 -5.251 -10.106 0.802 1.00 0.00 N ATOM 766 CA ASP A 49 -4.721 -10.981 -0.260 1.00 0.00 C ATOM 767 C ASP A 49 -5.402 -10.701 -1.583 1.00 0.00 C ATOM 768 O ASP A 49 -4.758 -10.634 -2.634 1.00 0.00 O ATOM 769 CB ASP A 49 -4.913 -12.445 0.129 1.00 0.00 C ATOM 770 CG ASP A 49 -4.314 -13.421 -0.862 1.00 0.00 C ATOM 771 OD1 ASP A 49 -3.129 -13.813 -0.696 1.00 0.00 O ATOM 772 OD2 ASP A 49 -5.014 -13.834 -1.810 1.00 0.00 O ATOM 0 H ASP A 49 -5.633 -10.617 1.598 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.657 -10.776 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.465 -12.614 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.979 -12.649 0.227 1.00 0.00 H new ATOM 777 N GLU A 50 -6.691 -10.473 -1.522 1.00 0.00 N ATOM 778 CA GLU A 50 -7.459 -10.176 -2.706 1.00 0.00 C ATOM 779 C GLU A 50 -7.103 -8.790 -3.246 1.00 0.00 C ATOM 780 O GLU A 50 -7.151 -8.544 -4.456 1.00 0.00 O ATOM 781 CB GLU A 50 -8.939 -10.308 -2.423 1.00 0.00 C ATOM 782 CG GLU A 50 -9.322 -11.712 -2.011 1.00 0.00 C ATOM 783 CD GLU A 50 -10.774 -11.844 -1.705 1.00 0.00 C ATOM 784 OE1 GLU A 50 -11.145 -11.773 -0.527 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.575 -12.027 -2.642 1.00 0.00 O ATOM 0 H GLU A 50 -7.233 -10.488 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.207 -10.901 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.219 -9.611 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.503 -10.026 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.058 -12.406 -2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.742 -12.000 -1.134 1.00 0.00 H new ATOM 792 N TYR A 51 -6.732 -7.891 -2.348 1.00 0.00 N ATOM 793 CA TYR A 51 -6.245 -6.584 -2.749 1.00 0.00 C ATOM 794 C TYR A 51 -4.861 -6.745 -3.374 1.00 0.00 C ATOM 795 O TYR A 51 -4.524 -6.044 -4.319 1.00 0.00 O ATOM 796 CB TYR A 51 -6.245 -5.607 -1.581 1.00 0.00 C ATOM 797 CG TYR A 51 -5.738 -4.224 -1.932 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.228 -3.523 -3.040 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.769 -3.614 -1.156 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.746 -2.274 -3.347 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.294 -2.361 -1.463 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.784 -1.703 -2.557 1.00 0.00 C ATOM 803 OH TYR A 51 -4.288 -0.483 -2.878 1.00 0.00 O ATOM 0 H TYR A 51 -6.759 -8.043 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.916 -6.156 -3.494 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.260 -5.522 -1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.629 -6.015 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.992 -3.968 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.378 -4.132 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.124 -1.744 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.539 -1.899 -0.844 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.946 0.207 -2.653 1.00 0.00 H new ATOM 813 N TYR A 52 -4.065 -7.672 -2.855 1.00 0.00 N ATOM 814 CA TYR A 52 -2.713 -7.914 -3.355 1.00 0.00 C ATOM 815 C TYR A 52 -2.742 -8.366 -4.805 1.00 0.00 C ATOM 816 O TYR A 52 -1.929 -7.924 -5.624 1.00 0.00 O ATOM 817 CB TYR A 52 -1.912 -8.890 -2.455 1.00 0.00 C ATOM 818 CG TYR A 52 -1.699 -8.377 -1.028 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.489 -7.029 -0.778 1.00 0.00 C ATOM 820 CD2 TYR A 52 -1.714 -9.238 0.063 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.314 -6.561 0.500 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.534 -8.761 1.350 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.340 -7.424 1.559 1.00 0.00 C ATOM 824 OH TYR A 52 -1.172 -6.941 2.848 1.00 0.00 O ATOM 0 H TYR A 52 -4.335 -8.276 -2.079 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.180 -6.964 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.436 -9.845 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.941 -9.078 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.463 -6.335 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.868 -10.295 -0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.155 -5.506 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.547 -9.443 2.187 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.218 -7.685 3.485 1.00 0.00 H new ATOM 834 N GLU A 53 -3.725 -9.208 -5.131 1.00 0.00 N ATOM 835 CA GLU A 53 -3.938 -9.653 -6.498 1.00 0.00 C ATOM 836 C GLU A 53 -4.297 -8.458 -7.372 1.00 0.00 C ATOM 837 O GLU A 53 -3.735 -8.280 -8.451 1.00 0.00 O ATOM 838 CB GLU A 53 -5.076 -10.666 -6.554 1.00 0.00 C ATOM 839 CG GLU A 53 -5.392 -11.150 -7.958 1.00 0.00 C ATOM 840 CD GLU A 53 -6.606 -12.019 -8.005 1.00 0.00 C ATOM 841 OE1 GLU A 53 -7.726 -11.488 -8.050 1.00 0.00 O ATOM 842 OE2 GLU A 53 -6.469 -13.253 -8.019 1.00 0.00 O ATOM 0 H GLU A 53 -4.387 -9.594 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.022 -10.120 -6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.818 -11.524 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.971 -10.218 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.540 -10.290 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.538 -11.703 -8.349 1.00 0.00 H new ATOM 849 N PHE A 54 -5.207 -7.632 -6.865 1.00 0.00 N ATOM 850 CA PHE A 54 -5.654 -6.441 -7.547 1.00 0.00 C ATOM 851 C PHE A 54 -4.462 -5.547 -7.891 1.00 0.00 C ATOM 852 O PHE A 54 -4.305 -5.105 -9.037 1.00 0.00 O ATOM 853 CB PHE A 54 -6.671 -5.694 -6.668 1.00 0.00 C ATOM 854 CG PHE A 54 -6.933 -4.297 -7.119 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.794 -4.025 -8.155 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.284 -3.257 -6.506 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.996 -2.727 -8.569 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.481 -1.973 -6.903 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.330 -1.701 -7.931 1.00 0.00 C ATOM 0 H PHE A 54 -5.654 -7.780 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.142 -6.721 -8.481 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.610 -6.248 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.306 -5.674 -5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.315 -4.833 -8.647 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.604 -3.462 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.670 -2.514 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.964 -1.168 -6.403 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.483 -0.680 -8.248 1.00 0.00 H new ATOM 869 N LEU A 55 -3.632 -5.297 -6.894 1.00 0.00 N ATOM 870 CA LEU A 55 -2.430 -4.503 -7.055 1.00 0.00 C ATOM 871 C LEU A 55 -1.519 -5.086 -8.128 1.00 0.00 C ATOM 872 O LEU A 55 -0.969 -4.367 -8.964 1.00 0.00 O ATOM 873 CB LEU A 55 -1.700 -4.383 -5.732 1.00 0.00 C ATOM 874 CG LEU A 55 -2.388 -3.532 -4.684 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.662 -3.645 -3.369 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.415 -2.082 -5.135 1.00 0.00 C ATOM 0 H LEU A 55 -3.775 -5.642 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.723 -3.506 -7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.555 -5.384 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.710 -3.968 -5.919 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.411 -3.886 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.164 -3.030 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.661 -4.685 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.634 -3.302 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.911 -1.475 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.395 -1.725 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.959 -2.004 -6.076 1.00 0.00 H new ATOM 888 N GLY A 56 -1.404 -6.401 -8.088 1.00 0.00 N ATOM 889 CA GLY A 56 -0.610 -7.118 -9.066 1.00 0.00 C ATOM 890 C GLY A 56 -1.141 -6.928 -10.467 1.00 0.00 C ATOM 891 O GLY A 56 -0.365 -6.743 -11.403 1.00 0.00 O ATOM 0 H GLY A 56 -1.851 -6.993 -7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.423 -6.773 -9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.603 -8.180 -8.821 1.00 0.00 H new ATOM 895 N GLU A 57 -2.456 -6.949 -10.609 1.00 0.00 N ATOM 896 CA GLU A 57 -3.091 -6.757 -11.878 1.00 0.00 C ATOM 897 C GLU A 57 -2.851 -5.346 -12.424 1.00 0.00 C ATOM 898 O GLU A 57 -2.741 -5.147 -13.634 1.00 0.00 O ATOM 899 CB GLU A 57 -4.572 -7.051 -11.767 1.00 0.00 C ATOM 900 CG GLU A 57 -4.899 -8.481 -11.353 1.00 0.00 C ATOM 901 CD GLU A 57 -6.377 -8.785 -11.392 1.00 0.00 C ATOM 902 OE1 GLU A 57 -7.160 -8.159 -10.654 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.790 -9.680 -12.160 1.00 0.00 O ATOM 0 H GLU A 57 -3.105 -7.101 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.646 -7.455 -12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.013 -6.366 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.044 -6.847 -12.728 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.374 -9.173 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.525 -8.656 -10.344 1.00 0.00 H new ATOM 910 N GLN A 58 -2.746 -4.361 -11.513 1.00 0.00 N ATOM 911 CA GLN A 58 -2.499 -2.977 -11.903 1.00 0.00 C ATOM 912 C GLN A 58 -1.020 -2.830 -12.239 1.00 0.00 C ATOM 913 O GLN A 58 -0.658 -2.136 -13.180 1.00 0.00 O ATOM 914 CB GLN A 58 -2.863 -2.008 -10.762 1.00 0.00 C ATOM 915 CG GLN A 58 -4.283 -2.138 -10.210 1.00 0.00 C ATOM 916 CD GLN A 58 -5.359 -1.979 -11.263 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.800 -0.869 -11.551 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.828 -3.069 -11.796 1.00 0.00 N ATOM 0 H GLN A 58 -2.829 -4.506 -10.507 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.118 -2.732 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.159 -2.159 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.723 -0.987 -11.118 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.392 -3.113 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.432 -1.388 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.438 -3.974 -11.533 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.586 -3.019 -12.477 1.00 0.00 H new ATOM 927 N GLY A 59 -0.183 -3.429 -11.432 1.00 0.00 N ATOM 928 CA GLY A 59 1.236 -3.464 -11.714 1.00 0.00 C ATOM 929 C GLY A 59 2.076 -3.128 -10.504 1.00 0.00 C ATOM 930 O GLY A 59 2.973 -2.285 -10.577 1.00 0.00 O ATOM 0 H GLY A 59 -0.457 -3.902 -10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.507 -4.456 -12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.461 -2.760 -12.515 1.00 0.00 H new ATOM 934 N VAL A 60 1.793 -3.767 -9.396 1.00 0.00 N ATOM 935 CA VAL A 60 2.517 -3.533 -8.153 1.00 0.00 C ATOM 936 C VAL A 60 2.932 -4.868 -7.576 1.00 0.00 C ATOM 937 O VAL A 60 2.119 -5.792 -7.491 1.00 0.00 O ATOM 938 CB VAL A 60 1.615 -2.836 -7.087 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.422 -2.427 -5.863 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.848 -1.651 -7.668 1.00 0.00 C ATOM 0 H VAL A 60 1.055 -4.467 -9.322 1.00 0.00 H new ATOM 0 HA VAL A 60 3.372 -2.896 -8.379 1.00 0.00 H new ATOM 0 HB VAL A 60 0.873 -3.569 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.766 -1.944 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.872 -3.311 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.207 -1.732 -6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.234 -1.198 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.553 -0.913 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.208 -1.995 -8.480 1.00 0.00 H new ATOM 950 N GLU A 61 4.175 -4.986 -7.227 1.00 0.00 N ATOM 951 CA GLU A 61 4.647 -6.151 -6.536 1.00 0.00 C ATOM 952 C GLU A 61 4.615 -5.861 -5.061 1.00 0.00 C ATOM 953 O GLU A 61 4.825 -4.729 -4.656 1.00 0.00 O ATOM 954 CB GLU A 61 6.047 -6.497 -6.973 1.00 0.00 C ATOM 955 CG GLU A 61 6.139 -6.921 -8.414 1.00 0.00 C ATOM 956 CD GLU A 61 7.511 -7.381 -8.766 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.265 -6.613 -9.404 1.00 0.00 O ATOM 958 OE2 GLU A 61 7.879 -8.525 -8.390 1.00 0.00 O ATOM 0 H GLU A 61 4.890 -4.283 -7.411 1.00 0.00 H new ATOM 0 HA GLU A 61 4.010 -7.005 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.692 -5.633 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.428 -7.299 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.426 -7.724 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.858 -6.087 -9.057 1.00 0.00 H new ATOM 965 N LEU A 62 4.299 -6.820 -4.262 1.00 0.00 N ATOM 966 CA LEU A 62 4.229 -6.571 -2.865 1.00 0.00 C ATOM 967 C LEU A 62 5.407 -7.190 -2.133 1.00 0.00 C ATOM 968 O LEU A 62 5.606 -8.394 -2.182 1.00 0.00 O ATOM 969 CB LEU A 62 2.918 -7.095 -2.286 1.00 0.00 C ATOM 970 CG LEU A 62 1.607 -6.640 -2.953 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.581 -5.164 -3.271 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.205 -7.501 -4.139 1.00 0.00 C ATOM 0 H LEU A 62 4.087 -7.776 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 62 4.269 -5.491 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.949 -8.184 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.877 -6.807 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 62 0.836 -6.796 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.630 -4.909 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.697 -4.591 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.397 -4.924 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.273 -7.126 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.988 -7.465 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.065 -8.531 -3.810 1.00 0.00 H new ATOM 984 N ILE A 63 6.181 -6.367 -1.477 1.00 0.00 N ATOM 985 CA ILE A 63 7.275 -6.832 -0.652 1.00 0.00 C ATOM 986 C ILE A 63 6.773 -6.976 0.761 1.00 0.00 C ATOM 987 O ILE A 63 5.642 -6.603 1.053 1.00 0.00 O ATOM 988 CB ILE A 63 8.514 -5.887 -0.675 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.109 -4.428 -0.450 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.307 -6.047 -1.943 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.254 -3.437 -0.500 1.00 0.00 C ATOM 0 H ILE A 63 6.074 -5.353 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 63 7.612 -7.786 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 63 9.161 -6.179 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.372 -4.149 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.619 -4.347 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.163 -5.373 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.657 -7.076 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.676 -5.808 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.872 -2.430 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.983 -3.684 0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.733 -3.483 -1.478 1.00 0.00 H new ATOM 1003 N SER A 64 7.580 -7.494 1.629 1.00 0.00 N ATOM 1004 CA SER A 64 7.157 -7.697 2.983 1.00 0.00 C ATOM 1005 C SER A 64 7.208 -6.399 3.785 1.00 0.00 C ATOM 1006 O SER A 64 6.196 -5.690 3.914 1.00 0.00 O ATOM 1007 CB SER A 64 7.983 -8.817 3.634 1.00 0.00 C ATOM 1008 OG SER A 64 7.618 -9.034 4.978 1.00 0.00 O ATOM 0 H SER A 64 8.537 -7.785 1.428 1.00 0.00 H new ATOM 0 HA SER A 64 6.114 -8.014 2.978 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.850 -9.740 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.042 -8.562 3.583 1.00 0.00 H new ATOM 0 HG SER A 64 8.166 -9.755 5.353 1.00 0.00 H new ATOM 1014 N GLU A 65 8.396 -6.105 4.242 1.00 0.00 N ATOM 1015 CA GLU A 65 8.776 -4.963 5.076 1.00 0.00 C ATOM 1016 C GLU A 65 10.099 -5.356 5.659 1.00 0.00 C ATOM 1017 O GLU A 65 11.019 -4.564 5.766 1.00 0.00 O ATOM 1018 CB GLU A 65 7.738 -4.684 6.188 1.00 0.00 C ATOM 1019 CG GLU A 65 8.010 -3.467 7.080 1.00 0.00 C ATOM 1020 CD GLU A 65 9.071 -3.705 8.143 1.00 0.00 C ATOM 1021 OE1 GLU A 65 9.061 -4.778 8.782 1.00 0.00 O ATOM 1022 OE2 GLU A 65 9.914 -2.809 8.381 1.00 0.00 O ATOM 0 H GLU A 65 9.199 -6.698 4.031 1.00 0.00 H new ATOM 0 HA GLU A 65 8.827 -4.040 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.762 -4.554 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.672 -5.567 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.320 -2.631 6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.081 -3.172 7.568 1.00 0.00 H new ATOM 1029 N ASN A 66 10.205 -6.656 5.936 1.00 0.00 N ATOM 1030 CA ASN A 66 11.448 -7.283 6.411 1.00 0.00 C ATOM 1031 C ASN A 66 12.447 -7.362 5.234 1.00 0.00 C ATOM 1032 O ASN A 66 13.568 -7.827 5.361 1.00 0.00 O ATOM 1033 CB ASN A 66 11.122 -8.681 6.986 1.00 0.00 C ATOM 1034 CG ASN A 66 12.296 -9.389 7.673 1.00 0.00 C ATOM 1035 OD1 ASN A 66 12.551 -9.183 8.868 1.00 0.00 O ATOM 1036 ND2 ASN A 66 12.966 -10.261 6.964 1.00 0.00 N ATOM 0 H ASN A 66 9.429 -7.311 5.838 1.00 0.00 H new ATOM 0 HA ASN A 66 11.905 -6.693 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.307 -8.581 7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.759 -9.314 6.177 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.722 -10.794 7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.732 -10.408 5.982 1.00 0.00 H new ATOM 1043 N GLU A 67 11.992 -6.873 4.098 1.00 0.00 N ATOM 1044 CA GLU A 67 12.749 -6.737 2.907 1.00 0.00 C ATOM 1045 C GLU A 67 12.237 -5.495 2.216 1.00 0.00 C ATOM 1046 O GLU A 67 11.050 -5.135 2.385 1.00 0.00 O ATOM 1047 CB GLU A 67 12.566 -7.932 1.981 1.00 0.00 C ATOM 1048 CG GLU A 67 11.159 -8.106 1.459 1.00 0.00 C ATOM 1049 CD GLU A 67 11.023 -9.305 0.575 1.00 0.00 C ATOM 1050 OE1 GLU A 67 10.609 -10.372 1.065 1.00 0.00 O ATOM 1051 OE2 GLU A 67 11.331 -9.213 -0.618 1.00 0.00 O ATOM 0 H GLU A 67 11.031 -6.547 3.994 1.00 0.00 H new ATOM 0 HA GLU A 67 13.810 -6.674 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.245 -7.828 1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.858 -8.837 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.471 -8.198 2.300 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.867 -7.214 0.904 1.00 0.00 H new ATOM 1058 N GLU A 68 13.092 -4.874 1.479 1.00 0.00 N ATOM 1059 CA GLU A 68 12.816 -3.679 0.706 1.00 0.00 C ATOM 1060 C GLU A 68 14.085 -3.328 0.028 1.00 0.00 C ATOM 1061 O GLU A 68 15.153 -3.463 0.628 1.00 0.00 O ATOM 1062 CB GLU A 68 12.324 -2.493 1.595 1.00 0.00 C ATOM 1063 CG GLU A 68 11.977 -1.184 0.845 1.00 0.00 C ATOM 1064 CD GLU A 68 13.070 -0.111 0.901 1.00 0.00 C ATOM 1065 OE1 GLU A 68 14.011 -0.128 0.075 1.00 0.00 O ATOM 1066 OE2 GLU A 68 12.973 0.794 1.766 1.00 0.00 O ATOM 0 H GLU A 68 14.057 -5.190 1.384 1.00 0.00 H new ATOM 0 HA GLU A 68 12.010 -3.868 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.441 -2.819 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.096 -2.273 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.772 -1.422 -0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.059 -0.772 1.265 1.00 0.00 H new ATOM 1073 N THR A 69 13.998 -2.946 -1.195 1.00 0.00 N ATOM 1074 CA THR A 69 15.138 -2.559 -1.915 1.00 0.00 C ATOM 1075 C THR A 69 14.793 -1.527 -2.975 1.00 0.00 C ATOM 1076 O THR A 69 14.639 -1.815 -4.169 1.00 0.00 O ATOM 1077 CB THR A 69 15.980 -3.766 -2.453 1.00 0.00 C ATOM 1078 OG1 THR A 69 17.114 -3.313 -3.207 1.00 0.00 O ATOM 1079 CG2 THR A 69 15.148 -4.730 -3.287 1.00 0.00 C ATOM 0 H THR A 69 13.125 -2.896 -1.720 1.00 0.00 H new ATOM 0 HA THR A 69 15.809 -2.069 -1.210 1.00 0.00 H new ATOM 0 HB THR A 69 16.333 -4.310 -1.577 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.623 -4.086 -3.529 1.00 0.00 H new ATOM 0 HG21 THR A 69 15.779 -5.548 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.337 -5.131 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.731 -4.203 -4.145 1.00 0.00 H new ATOM 1087 N GLU A 70 14.525 -0.359 -2.496 1.00 0.00 N ATOM 1088 CA GLU A 70 14.347 0.785 -3.319 1.00 0.00 C ATOM 1089 C GLU A 70 15.036 1.974 -2.663 1.00 0.00 C ATOM 1090 O GLU A 70 15.560 2.845 -3.335 1.00 0.00 O ATOM 1091 CB GLU A 70 12.862 1.099 -3.571 1.00 0.00 C ATOM 1092 CG GLU A 70 12.066 1.484 -2.331 1.00 0.00 C ATOM 1093 CD GLU A 70 10.699 1.998 -2.670 1.00 0.00 C ATOM 1094 OE1 GLU A 70 10.605 3.050 -3.347 1.00 0.00 O ATOM 1095 OE2 GLU A 70 9.703 1.407 -2.242 1.00 0.00 O ATOM 0 H GLU A 70 14.422 -0.171 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 70 14.792 0.579 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.796 1.912 -4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.394 0.227 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.974 0.617 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.611 2.246 -1.774 1.00 0.00 H new ATOM 1102 N ASP A 71 15.077 1.975 -1.334 1.00 0.00 N ATOM 1103 CA ASP A 71 15.634 3.101 -0.578 1.00 0.00 C ATOM 1104 C ASP A 71 16.978 2.736 0.044 1.00 0.00 C ATOM 1105 O ASP A 71 17.616 3.543 0.694 1.00 0.00 O ATOM 1106 CB ASP A 71 14.605 3.562 0.488 1.00 0.00 C ATOM 1107 CG ASP A 71 15.028 4.755 1.355 1.00 0.00 C ATOM 1108 OD1 ASP A 71 14.939 5.916 0.893 1.00 0.00 O ATOM 1109 OD2 ASP A 71 15.402 4.549 2.543 1.00 0.00 O ATOM 0 H ASP A 71 14.732 1.210 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 71 15.824 3.933 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.675 3.818 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.388 2.719 1.144 1.00 0.00 H new ATOM 1114 N LEU A 72 17.441 1.538 -0.228 1.00 0.00 N ATOM 1115 CA LEU A 72 18.704 1.058 0.363 1.00 0.00 C ATOM 1116 C LEU A 72 19.923 1.815 -0.161 1.00 0.00 C ATOM 1117 O LEU A 72 20.909 1.982 0.549 1.00 0.00 O ATOM 1118 CB LEU A 72 18.903 -0.446 0.169 1.00 0.00 C ATOM 1119 CG LEU A 72 17.878 -1.372 0.824 1.00 0.00 C ATOM 1120 CD1 LEU A 72 18.259 -2.822 0.574 1.00 0.00 C ATOM 1121 CD2 LEU A 72 17.774 -1.105 2.323 1.00 0.00 C ATOM 0 H LEU A 72 16.980 0.871 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 72 18.616 1.257 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 72 18.910 -0.651 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.890 -0.709 0.550 1.00 0.00 H new ATOM 0 HG LEU A 72 16.903 -1.174 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.525 -3.477 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.282 -3.012 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 72 19.244 -3.018 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.038 -1.778 2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.744 -1.273 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.466 -0.073 2.488 1.00 0.00 H new ATOM 1133 N GLU A 73 19.849 2.290 -1.386 1.00 0.00 N ATOM 1134 CA GLU A 73 20.958 3.041 -1.969 1.00 0.00 C ATOM 1135 C GLU A 73 20.858 4.525 -1.602 1.00 0.00 C ATOM 1136 O GLU A 73 21.764 5.320 -1.870 1.00 0.00 O ATOM 1137 CB GLU A 73 21.003 2.865 -3.485 1.00 0.00 C ATOM 1138 CG GLU A 73 21.199 1.426 -3.943 1.00 0.00 C ATOM 1139 CD GLU A 73 22.426 0.775 -3.339 1.00 0.00 C ATOM 1140 OE1 GLU A 73 23.553 1.272 -3.541 1.00 0.00 O ATOM 1141 OE2 GLU A 73 22.293 -0.277 -2.686 1.00 0.00 O ATOM 0 H GLU A 73 19.042 2.175 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 73 21.886 2.645 -1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.075 3.246 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.812 3.475 -3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 73 20.317 0.843 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 73 21.281 1.404 -5.030 1.00 0.00 H new ATOM 1148 N HIS A 74 19.766 4.873 -0.972 1.00 0.00 N ATOM 1149 CA HIS A 74 19.507 6.215 -0.542 1.00 0.00 C ATOM 1150 C HIS A 74 19.853 6.314 0.937 1.00 0.00 C ATOM 1151 O HIS A 74 19.136 5.793 1.796 1.00 0.00 O ATOM 1152 CB HIS A 74 18.024 6.558 -0.800 1.00 0.00 C ATOM 1153 CG HIS A 74 17.588 7.925 -0.365 1.00 0.00 C ATOM 1154 ND1 HIS A 74 16.794 8.154 0.732 1.00 0.00 N ATOM 1155 CD2 HIS A 74 17.817 9.136 -0.919 1.00 0.00 C ATOM 1156 CE1 HIS A 74 16.568 9.462 0.819 1.00 0.00 C ATOM 1157 NE2 HIS A 74 17.166 10.109 -0.164 1.00 0.00 N ATOM 0 H HIS A 74 19.020 4.216 -0.741 1.00 0.00 H new ATOM 0 HA HIS A 74 20.115 6.930 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.827 6.456 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.405 5.820 -0.290 1.00 0.00 H new ATOM 0 HD1 HIS A 74 16.438 7.443 1.371 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.409 9.320 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.975 9.931 1.590 1.00 0.00 H new ATOM 1165 N HIS A 75 20.956 6.929 1.223 1.00 0.00 N ATOM 1166 CA HIS A 75 21.416 7.061 2.586 1.00 0.00 C ATOM 1167 C HIS A 75 21.012 8.426 3.122 1.00 0.00 C ATOM 1168 O HIS A 75 20.298 8.525 4.128 1.00 0.00 O ATOM 1169 CB HIS A 75 22.941 6.862 2.645 1.00 0.00 C ATOM 1170 CG HIS A 75 23.534 6.995 4.015 1.00 0.00 C ATOM 1171 ND1 HIS A 75 24.324 8.047 4.403 1.00 0.00 N ATOM 1172 CD2 HIS A 75 23.442 6.183 5.090 1.00 0.00 C ATOM 1173 CE1 HIS A 75 24.682 7.857 5.663 1.00 0.00 C ATOM 1174 NE2 HIS A 75 24.172 6.733 6.138 1.00 0.00 N ATOM 0 H HIS A 75 21.568 7.356 0.528 1.00 0.00 H new ATOM 0 HA HIS A 75 20.956 6.296 3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 75 23.181 5.873 2.254 1.00 0.00 H new ATOM 0 HB3 HIS A 75 23.415 7.589 1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.890 5.255 5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 75 25.308 8.531 6.229 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.289 6.350 7.076 1.00 0.00 H new ATOM 1182 N HIS A 76 21.456 9.451 2.430 1.00 0.00 N ATOM 1183 CA HIS A 76 21.177 10.838 2.730 1.00 0.00 C ATOM 1184 C HIS A 76 21.809 11.654 1.618 1.00 0.00 C ATOM 1185 O HIS A 76 21.158 11.865 0.596 1.00 0.00 O ATOM 1186 CB HIS A 76 21.731 11.246 4.127 1.00 0.00 C ATOM 1187 CG HIS A 76 21.509 12.688 4.512 1.00 0.00 C ATOM 1188 ND1 HIS A 76 22.529 13.602 4.668 1.00 0.00 N ATOM 1189 CD2 HIS A 76 20.365 13.354 4.802 1.00 0.00 C ATOM 1190 CE1 HIS A 76 21.996 14.762 5.043 1.00 0.00 C ATOM 1191 NE2 HIS A 76 20.679 14.671 5.139 1.00 0.00 N ATOM 1192 OXT HIS A 76 22.999 11.999 1.720 1.00 0.00 O ATOM 0 H HIS A 76 22.047 9.336 1.607 1.00 0.00 H new ATOM 0 HA HIS A 76 20.103 11.015 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 76 21.270 10.610 4.883 1.00 0.00 H new ATOM 0 HB3 HIS A 76 22.801 11.042 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 76 19.371 12.933 4.776 1.00 0.00 H new ATOM 0 HE1 HIS A 76 22.563 15.659 5.243 1.00 0.00 H new ATOM 0 HE2 HIS A 76 20.028 15.410 5.404 1.00 0.00 H new TER 1200 HIS A 76