USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 6 GLN : amide:sc= -6.68! C(o=-8.6!,f=-13!) USER MOD Set 1.2: A 7 GLN : amide:sc= -1.94 K(o=-8.6,f=-9.8!) USER MOD Single : A 3 MET CE :methyl 157:sc= -0.0722 (180deg=-0.402) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -128:sc= -1.5 (180deg=-6.96!) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.465) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 162:sc= 0.345 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -147:sc= -0.683 (180deg=-2.25!) USER MOD Single : A 48 MET CE :methyl 156:sc= -1.31 (180deg=-1.42) USER MOD Single : A 51 GLN : amide:sc= -13.2! C(o=-13!,f=-27!) USER MOD Single : A 52 ASN : amide:sc= -0.249 K(o=-0.25,f=-4.5!) USER MOD Single : A 54 THR OG1 : rot -110:sc= -3.67! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -31:sc= -0.0354 USER MOD Single : A 81 MET CE :methyl 132:sc= -0.287 (180deg=-1.67) USER MOD Single : A 82 MET CE :methyl -117:sc= -9.24! (180deg=-17.2!) USER MOD Single : A 85 GLN : amide:sc= -0.463 X(o=-0.46,f=-0.37) USER MOD Single : A 86 MET CE :methyl 141:sc= -0.81 (180deg=-3.25!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.123 -6.280 -11.749 1.00 0.00 N ATOM 25 CA MET A 3 64.124 -5.615 -10.416 1.00 0.00 C ATOM 26 C MET A 3 62.854 -4.779 -10.240 1.00 0.00 C ATOM 27 O MET A 3 62.444 -4.483 -9.137 1.00 0.00 O ATOM 28 CB MET A 3 65.357 -4.716 -10.429 1.00 0.00 C ATOM 29 CG MET A 3 66.561 -5.500 -9.909 1.00 0.00 C ATOM 30 SD MET A 3 66.756 -7.018 -10.875 1.00 0.00 S ATOM 31 CE MET A 3 68.504 -6.800 -11.291 1.00 0.00 C ATOM 0 HA MET A 3 64.147 -6.332 -9.595 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.550 -4.360 -11.441 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.186 -3.836 -9.808 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.463 -4.892 -9.981 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.423 -5.742 -8.855 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.946 -7.769 -11.523 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.593 -6.144 -12.157 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.027 -6.356 -10.444 1.00 0.00 H new ATOM 41 N THR A 4 62.228 -4.400 -11.318 1.00 0.00 N ATOM 42 CA THR A 4 60.984 -3.587 -11.209 1.00 0.00 C ATOM 43 C THR A 4 59.915 -4.363 -10.435 1.00 0.00 C ATOM 44 O THR A 4 58.912 -3.816 -10.025 1.00 0.00 O ATOM 45 CB THR A 4 60.539 -3.349 -12.652 1.00 0.00 C ATOM 46 OG1 THR A 4 59.419 -2.474 -12.662 1.00 0.00 O ATOM 47 CG2 THR A 4 60.153 -4.682 -13.296 1.00 0.00 C ATOM 0 H THR A 4 62.523 -4.617 -12.270 1.00 0.00 H new ATOM 0 HA THR A 4 61.145 -2.651 -10.675 1.00 0.00 H new ATOM 0 HB THR A 4 61.357 -2.900 -13.215 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.133 -2.319 -13.587 1.00 0.00 H new ATOM 0 HG21 THR A 4 59.836 -4.511 -14.325 1.00 0.00 H new ATOM 0 HG22 THR A 4 61.012 -5.352 -13.288 1.00 0.00 H new ATOM 0 HG23 THR A 4 59.335 -5.134 -12.735 1.00 0.00 H new ATOM 55 N ASP A 5 60.120 -5.638 -10.237 1.00 0.00 N ATOM 56 CA ASP A 5 59.113 -6.449 -9.493 1.00 0.00 C ATOM 57 C ASP A 5 59.430 -6.453 -7.994 1.00 0.00 C ATOM 58 O ASP A 5 58.544 -6.480 -7.163 1.00 0.00 O ATOM 59 CB ASP A 5 59.233 -7.860 -10.070 1.00 0.00 C ATOM 60 CG ASP A 5 58.132 -8.747 -9.484 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.006 -8.636 -9.938 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.436 -9.521 -8.591 1.00 0.00 O ATOM 0 H ASP A 5 60.940 -6.152 -10.558 1.00 0.00 H new ATOM 0 HA ASP A 5 58.105 -6.048 -9.600 1.00 0.00 H new ATOM 0 HB2 ASP A 5 59.149 -7.828 -11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 5 60.213 -8.277 -9.838 1.00 0.00 H new ATOM 67 N GLN A 6 60.687 -6.433 -7.641 1.00 0.00 N ATOM 68 CA GLN A 6 61.054 -6.442 -6.194 1.00 0.00 C ATOM 69 C GLN A 6 60.603 -5.140 -5.523 1.00 0.00 C ATOM 70 O GLN A 6 60.516 -5.051 -4.315 1.00 0.00 O ATOM 71 CB GLN A 6 62.582 -6.574 -6.169 1.00 0.00 C ATOM 72 CG GLN A 6 63.233 -5.210 -6.411 1.00 0.00 C ATOM 73 CD GLN A 6 64.599 -5.412 -7.068 1.00 0.00 C ATOM 74 OE1 GLN A 6 65.091 -4.542 -7.757 1.00 0.00 O ATOM 75 NE2 GLN A 6 65.236 -6.537 -6.880 1.00 0.00 N ATOM 0 H GLN A 6 61.474 -6.411 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 6 60.572 -7.255 -5.650 1.00 0.00 H new ATOM 0 HB2 GLN A 6 62.904 -6.974 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 6 62.906 -7.281 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 6 62.596 -4.598 -7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 6 63.346 -4.675 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 6 64.821 -7.267 -6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 6 66.148 -6.685 -7.312 1.00 0.00 H new ATOM 84 N GLN A 7 60.316 -4.130 -6.298 1.00 0.00 N ATOM 85 CA GLN A 7 59.872 -2.837 -5.703 1.00 0.00 C ATOM 86 C GLN A 7 58.394 -2.913 -5.316 1.00 0.00 C ATOM 87 O GLN A 7 57.857 -2.012 -4.699 1.00 0.00 O ATOM 88 CB GLN A 7 60.087 -1.800 -6.807 1.00 0.00 C ATOM 89 CG GLN A 7 61.543 -1.331 -6.788 1.00 0.00 C ATOM 90 CD GLN A 7 62.146 -1.479 -8.185 1.00 0.00 C ATOM 91 OE1 GLN A 7 63.047 -2.269 -8.389 1.00 0.00 O ATOM 92 NE2 GLN A 7 61.685 -0.749 -9.163 1.00 0.00 N ATOM 0 H GLN A 7 60.370 -4.144 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 7 60.423 -2.587 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 7 59.845 -2.231 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.418 -0.952 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.597 -0.291 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 7 62.116 -1.917 -6.069 1.00 0.00 H new ATOM 0 HE21 GLN A 7 60.929 -0.086 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 7 62.081 -0.841 -10.099 1.00 0.00 H new ATOM 101 N ALA A 8 57.731 -3.978 -5.670 1.00 0.00 N ATOM 102 CA ALA A 8 56.288 -4.109 -5.319 1.00 0.00 C ATOM 103 C ALA A 8 56.140 -4.612 -3.881 1.00 0.00 C ATOM 104 O ALA A 8 55.463 -4.013 -3.069 1.00 0.00 O ATOM 105 CB ALA A 8 55.730 -5.133 -6.307 1.00 0.00 C ATOM 0 H ALA A 8 58.125 -4.764 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 8 55.759 -3.158 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.668 -5.285 -6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.864 -4.767 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.259 -6.078 -6.189 1.00 0.00 H new ATOM 111 N GLU A 9 56.769 -5.710 -3.559 1.00 0.00 N ATOM 112 CA GLU A 9 56.665 -6.251 -2.175 1.00 0.00 C ATOM 113 C GLU A 9 57.732 -5.618 -1.275 1.00 0.00 C ATOM 114 O GLU A 9 57.675 -5.718 -0.065 1.00 0.00 O ATOM 115 CB GLU A 9 56.909 -7.754 -2.318 1.00 0.00 C ATOM 116 CG GLU A 9 55.567 -8.489 -2.340 1.00 0.00 C ATOM 117 CD GLU A 9 55.744 -9.855 -3.005 1.00 0.00 C ATOM 118 OE1 GLU A 9 56.819 -10.104 -3.526 1.00 0.00 O ATOM 119 OE2 GLU A 9 54.801 -10.629 -2.984 1.00 0.00 O ATOM 0 H GLU A 9 57.350 -6.255 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 9 55.698 -6.035 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.462 -7.958 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.520 -8.114 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.192 -8.613 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.827 -7.901 -2.884 1.00 0.00 H new ATOM 126 N ALA A 10 58.704 -4.970 -1.856 1.00 0.00 N ATOM 127 CA ALA A 10 59.772 -4.334 -1.030 1.00 0.00 C ATOM 128 C ALA A 10 59.190 -3.189 -0.198 1.00 0.00 C ATOM 129 O ALA A 10 59.487 -3.046 0.971 1.00 0.00 O ATOM 130 CB ALA A 10 60.788 -3.799 -2.039 1.00 0.00 C ATOM 0 H ALA A 10 58.806 -4.853 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 10 60.223 -5.037 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.608 -3.315 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.179 -4.624 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.303 -3.076 -2.695 1.00 0.00 H new ATOM 136 N ARG A 11 58.356 -2.376 -0.788 1.00 0.00 N ATOM 137 CA ARG A 11 57.754 -1.245 -0.018 1.00 0.00 C ATOM 138 C ARG A 11 56.306 -1.570 0.356 1.00 0.00 C ATOM 139 O ARG A 11 55.687 -0.878 1.140 1.00 0.00 O ATOM 140 CB ARG A 11 57.820 -0.012 -0.935 1.00 0.00 C ATOM 141 CG ARG A 11 57.551 -0.399 -2.393 1.00 0.00 C ATOM 142 CD ARG A 11 56.236 -1.174 -2.495 1.00 0.00 C ATOM 143 NE ARG A 11 55.695 -0.835 -3.840 1.00 0.00 N ATOM 144 CZ ARG A 11 54.407 -0.853 -4.050 1.00 0.00 C ATOM 145 NH1 ARG A 11 53.774 -1.992 -4.116 1.00 0.00 N ATOM 146 NH2 ARG A 11 53.754 0.267 -4.196 1.00 0.00 N ATOM 0 H ARG A 11 58.066 -2.443 -1.763 1.00 0.00 H new ATOM 0 HA ARG A 11 58.292 -1.065 0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.088 0.727 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.802 0.454 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 11 57.504 0.496 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 11 58.372 -1.007 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 11 56.401 -2.247 -2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 11 55.543 -0.882 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 11 56.331 -0.588 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 11 54.286 -2.867 -4.003 1.00 0.00 H new ATOM 0 HH12 ARG A 11 52.767 -2.007 -4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.250 1.157 -4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 11 52.747 0.253 -4.360 1.00 0.00 H new ATOM 160 N ALA A 12 55.762 -2.622 -0.190 1.00 0.00 N ATOM 161 CA ALA A 12 54.357 -2.995 0.145 1.00 0.00 C ATOM 162 C ALA A 12 54.345 -3.970 1.325 1.00 0.00 C ATOM 163 O ALA A 12 53.310 -4.276 1.883 1.00 0.00 O ATOM 164 CB ALA A 12 53.811 -3.667 -1.116 1.00 0.00 C ATOM 0 H ALA A 12 56.229 -3.240 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 12 53.755 -2.134 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.778 -3.971 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.852 -2.965 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.414 -4.544 -1.351 1.00 0.00 H new ATOM 170 N PHE A 13 55.494 -4.459 1.706 1.00 0.00 N ATOM 171 CA PHE A 13 55.564 -5.413 2.848 1.00 0.00 C ATOM 172 C PHE A 13 55.216 -4.692 4.158 1.00 0.00 C ATOM 173 O PHE A 13 54.906 -5.313 5.155 1.00 0.00 O ATOM 174 CB PHE A 13 57.019 -5.910 2.842 1.00 0.00 C ATOM 175 CG PHE A 13 57.479 -6.241 4.244 1.00 0.00 C ATOM 176 CD1 PHE A 13 56.868 -7.278 4.958 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.519 -5.507 4.827 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.296 -7.580 6.256 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.946 -5.808 6.124 1.00 0.00 C ATOM 180 CZ PHE A 13 58.335 -6.845 6.840 1.00 0.00 C ATOM 0 H PHE A 13 56.391 -4.237 1.273 1.00 0.00 H new ATOM 0 HA PHE A 13 54.858 -6.239 2.761 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.104 -6.793 2.209 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.667 -5.146 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.067 -7.845 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.992 -4.708 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 13 56.825 -8.380 6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.747 -5.241 6.574 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.665 -7.078 7.842 1.00 0.00 H new ATOM 190 N LEU A 14 55.263 -3.388 4.162 1.00 0.00 N ATOM 191 CA LEU A 14 54.934 -2.635 5.408 1.00 0.00 C ATOM 192 C LEU A 14 53.778 -1.665 5.155 1.00 0.00 C ATOM 193 O LEU A 14 53.471 -1.327 4.029 1.00 0.00 O ATOM 194 CB LEU A 14 56.210 -1.871 5.757 1.00 0.00 C ATOM 195 CG LEU A 14 57.387 -2.843 5.783 1.00 0.00 C ATOM 196 CD1 LEU A 14 58.497 -2.328 4.864 1.00 0.00 C ATOM 197 CD2 LEU A 14 57.923 -2.958 7.211 1.00 0.00 C ATOM 0 H LEU A 14 55.514 -2.811 3.359 1.00 0.00 H new ATOM 0 HA LEU A 14 54.619 -3.295 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.389 -1.084 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.103 -1.385 6.727 1.00 0.00 H new ATOM 0 HG LEU A 14 57.055 -3.822 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 14 59.337 -3.023 4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 14 58.117 -2.246 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 14 58.829 -1.348 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 14 58.763 -3.652 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.254 -1.978 7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 14 57.134 -3.326 7.867 1.00 0.00 H new ATOM 209 N SER A 15 53.134 -1.213 6.197 1.00 0.00 N ATOM 210 CA SER A 15 51.998 -0.264 6.018 1.00 0.00 C ATOM 211 C SER A 15 52.524 1.154 5.785 1.00 0.00 C ATOM 212 O SER A 15 53.716 1.396 5.804 1.00 0.00 O ATOM 213 CB SER A 15 51.213 -0.336 7.327 1.00 0.00 C ATOM 214 OG SER A 15 49.822 -0.273 7.044 1.00 0.00 O ATOM 0 H SER A 15 53.345 -1.460 7.164 1.00 0.00 H new ATOM 0 HA SER A 15 51.380 -0.518 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.447 -1.261 7.854 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.500 0.486 7.982 1.00 0.00 H new ATOM 0 HG SER A 15 49.315 -0.321 7.881 1.00 0.00 H new ATOM 220 N GLU A 16 51.646 2.094 5.564 1.00 0.00 N ATOM 221 CA GLU A 16 52.097 3.495 5.330 1.00 0.00 C ATOM 222 C GLU A 16 52.854 4.019 6.553 1.00 0.00 C ATOM 223 O GLU A 16 53.786 4.790 6.435 1.00 0.00 O ATOM 224 CB GLU A 16 50.811 4.292 5.112 1.00 0.00 C ATOM 225 CG GLU A 16 51.146 5.778 4.987 1.00 0.00 C ATOM 226 CD GLU A 16 50.179 6.596 5.845 1.00 0.00 C ATOM 227 OE1 GLU A 16 50.341 6.590 7.054 1.00 0.00 O ATOM 228 OE2 GLU A 16 49.292 7.213 5.278 1.00 0.00 O ATOM 0 H GLU A 16 50.636 1.952 5.535 1.00 0.00 H new ATOM 0 HA GLU A 16 52.775 3.575 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 16 50.304 3.946 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.126 4.132 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.173 5.958 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.077 6.090 3.945 1.00 0.00 H new ATOM 235 N GLU A 17 52.461 3.608 7.727 1.00 0.00 N ATOM 236 CA GLU A 17 53.160 4.084 8.955 1.00 0.00 C ATOM 237 C GLU A 17 54.663 3.809 8.852 1.00 0.00 C ATOM 238 O GLU A 17 55.480 4.652 9.165 1.00 0.00 O ATOM 239 CB GLU A 17 52.545 3.277 10.099 1.00 0.00 C ATOM 240 CG GLU A 17 52.840 3.971 11.431 1.00 0.00 C ATOM 241 CD GLU A 17 51.772 5.032 11.702 1.00 0.00 C ATOM 242 OE1 GLU A 17 50.945 5.247 10.832 1.00 0.00 O ATOM 243 OE2 GLU A 17 51.800 5.611 12.775 1.00 0.00 O ATOM 0 H GLU A 17 51.687 2.964 7.890 1.00 0.00 H new ATOM 0 HA GLU A 17 53.044 5.158 9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.468 3.185 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.953 2.266 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.854 3.239 12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.827 4.433 11.402 1.00 0.00 H new ATOM 250 N MET A 18 55.034 2.636 8.416 1.00 0.00 N ATOM 251 CA MET A 18 56.484 2.311 8.295 1.00 0.00 C ATOM 252 C MET A 18 57.135 3.189 7.223 1.00 0.00 C ATOM 253 O MET A 18 58.096 3.886 7.478 1.00 0.00 O ATOM 254 CB MET A 18 56.529 0.841 7.883 1.00 0.00 C ATOM 255 CG MET A 18 57.985 0.390 7.760 1.00 0.00 C ATOM 256 SD MET A 18 58.389 -0.724 9.129 1.00 0.00 S ATOM 257 CE MET A 18 58.960 0.541 10.290 1.00 0.00 C ATOM 0 H MET A 18 54.397 1.889 8.139 1.00 0.00 H new ATOM 0 HA MET A 18 57.025 2.490 9.224 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.009 0.230 8.620 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.013 0.703 6.933 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.141 -0.116 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.647 1.255 7.774 1.00 0.00 H new ATOM 0 HE1 MET A 18 59.945 0.269 10.668 1.00 0.00 H new ATOM 0 HE2 MET A 18 59.019 1.503 9.780 1.00 0.00 H new ATOM 0 HE3 MET A 18 58.259 0.614 11.122 1.00 0.00 H new ATOM 267 N ILE A 19 56.620 3.162 6.024 1.00 0.00 N ATOM 268 CA ILE A 19 57.212 3.998 4.941 1.00 0.00 C ATOM 269 C ILE A 19 57.530 5.397 5.476 1.00 0.00 C ATOM 270 O ILE A 19 58.543 5.982 5.149 1.00 0.00 O ATOM 271 CB ILE A 19 56.136 4.066 3.857 1.00 0.00 C ATOM 272 CG1 ILE A 19 55.953 2.678 3.236 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.564 5.057 2.773 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.110 2.793 1.965 1.00 0.00 C ATOM 0 H ILE A 19 55.816 2.598 5.748 1.00 0.00 H new ATOM 0 HA ILE A 19 58.144 3.583 4.558 1.00 0.00 H new ATOM 0 HB ILE A 19 55.195 4.396 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 19 56.924 2.242 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 55.467 2.011 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 19 55.797 5.105 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 19 56.697 6.045 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.504 4.728 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 19 54.980 1.805 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.134 3.211 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.614 3.445 1.252 1.00 0.00 H new ATOM 286 N ALA A 20 56.673 5.934 6.301 1.00 0.00 N ATOM 287 CA ALA A 20 56.930 7.291 6.861 1.00 0.00 C ATOM 288 C ALA A 20 58.063 7.225 7.887 1.00 0.00 C ATOM 289 O ALA A 20 58.761 8.192 8.119 1.00 0.00 O ATOM 290 CB ALA A 20 55.618 7.697 7.534 1.00 0.00 C ATOM 0 H ALA A 20 55.807 5.492 6.611 1.00 0.00 H new ATOM 0 HA ALA A 20 57.231 8.007 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 20 55.726 8.689 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 20 54.819 7.713 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.373 6.979 8.317 1.00 0.00 H new ATOM 296 N GLU A 21 58.254 6.088 8.499 1.00 0.00 N ATOM 297 CA GLU A 21 59.344 5.956 9.507 1.00 0.00 C ATOM 298 C GLU A 21 60.709 6.038 8.817 1.00 0.00 C ATOM 299 O GLU A 21 61.612 6.703 9.284 1.00 0.00 O ATOM 300 CB GLU A 21 59.141 4.575 10.132 1.00 0.00 C ATOM 301 CG GLU A 21 60.343 4.232 11.013 1.00 0.00 C ATOM 302 CD GLU A 21 60.553 5.340 12.046 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.622 6.095 12.272 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.640 5.415 12.593 1.00 0.00 O ATOM 0 H GLU A 21 57.702 5.244 8.344 1.00 0.00 H new ATOM 0 HA GLU A 21 59.316 6.748 10.255 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.227 4.564 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.023 3.824 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.179 3.279 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.237 4.119 10.399 1.00 0.00 H new ATOM 311 N PHE A 22 60.864 5.368 7.708 1.00 0.00 N ATOM 312 CA PHE A 22 62.170 5.410 6.989 1.00 0.00 C ATOM 313 C PHE A 22 62.309 6.730 6.226 1.00 0.00 C ATOM 314 O PHE A 22 63.380 7.295 6.137 1.00 0.00 O ATOM 315 CB PHE A 22 62.130 4.231 6.014 1.00 0.00 C ATOM 316 CG PHE A 22 61.820 2.952 6.760 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.005 2.881 8.147 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.349 1.834 6.060 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.719 1.693 8.832 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.063 0.646 6.746 1.00 0.00 C ATOM 321 CZ PHE A 22 61.248 0.577 8.132 1.00 0.00 C ATOM 0 H PHE A 22 60.144 4.794 7.269 1.00 0.00 H new ATOM 0 HA PHE A 22 63.017 5.343 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.374 4.407 5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.088 4.140 5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.368 3.742 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.206 1.888 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.862 1.639 9.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.700 -0.216 6.206 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.027 -0.338 8.661 1.00 0.00 H new ATOM 331 N LYS A 23 61.233 7.224 5.676 1.00 0.00 N ATOM 332 CA LYS A 23 61.303 8.507 4.917 1.00 0.00 C ATOM 333 C LYS A 23 62.181 9.517 5.662 1.00 0.00 C ATOM 334 O LYS A 23 63.156 10.014 5.133 1.00 0.00 O ATOM 335 CB LYS A 23 59.858 9.001 4.847 1.00 0.00 C ATOM 336 CG LYS A 23 59.796 10.276 4.002 1.00 0.00 C ATOM 337 CD LYS A 23 60.018 9.925 2.530 1.00 0.00 C ATOM 338 CE LYS A 23 59.461 11.044 1.649 1.00 0.00 C ATOM 339 NZ LYS A 23 60.264 12.248 2.004 1.00 0.00 N ATOM 0 H LYS A 23 60.308 6.795 5.719 1.00 0.00 H new ATOM 0 HA LYS A 23 61.740 8.379 3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.220 8.232 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 23 59.481 9.198 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 23 58.829 10.762 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 23 60.555 10.984 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.082 9.789 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 23 59.527 8.982 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.561 10.801 0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 23 58.400 11.206 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 60.180 12.957 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 59.911 12.650 2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 61.262 11.979 2.116 1.00 0.00 H new ATOM 353 N ALA A 24 61.841 9.825 6.883 1.00 0.00 N ATOM 354 CA ALA A 24 62.656 10.804 7.660 1.00 0.00 C ATOM 355 C ALA A 24 64.092 10.294 7.814 1.00 0.00 C ATOM 356 O ALA A 24 65.045 11.010 7.578 1.00 0.00 O ATOM 357 CB ALA A 24 61.970 10.896 9.023 1.00 0.00 C ATOM 0 H ALA A 24 61.035 9.442 7.377 1.00 0.00 H new ATOM 0 HA ALA A 24 62.716 11.775 7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.511 11.599 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 24 60.944 11.241 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 24 61.965 9.913 9.495 1.00 0.00 H new ATOM 363 N ALA A 25 64.254 9.061 8.212 1.00 0.00 N ATOM 364 CA ALA A 25 65.629 8.507 8.385 1.00 0.00 C ATOM 365 C ALA A 25 66.332 8.393 7.029 1.00 0.00 C ATOM 366 O ALA A 25 67.543 8.394 6.947 1.00 0.00 O ATOM 367 CB ALA A 25 65.421 7.122 8.996 1.00 0.00 C ATOM 0 H ALA A 25 63.495 8.414 8.425 1.00 0.00 H new ATOM 0 HA ALA A 25 66.253 9.143 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.388 6.646 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 25 64.903 7.219 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 25 64.823 6.512 8.319 1.00 0.00 H new ATOM 373 N PHE A 26 65.582 8.292 5.967 1.00 0.00 N ATOM 374 CA PHE A 26 66.209 8.174 4.620 1.00 0.00 C ATOM 375 C PHE A 26 66.888 9.490 4.227 1.00 0.00 C ATOM 376 O PHE A 26 68.010 9.502 3.759 1.00 0.00 O ATOM 377 CB PHE A 26 65.052 7.865 3.671 1.00 0.00 C ATOM 378 CG PHE A 26 65.598 7.653 2.281 1.00 0.00 C ATOM 379 CD1 PHE A 26 65.827 8.752 1.446 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.880 6.359 1.829 1.00 0.00 C ATOM 381 CE1 PHE A 26 66.340 8.558 0.159 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.392 6.164 0.542 1.00 0.00 C ATOM 383 CZ PHE A 26 66.623 7.263 -0.293 1.00 0.00 C ATOM 0 H PHE A 26 64.562 8.286 5.973 1.00 0.00 H new ATOM 0 HA PHE A 26 66.979 7.403 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 26 64.519 6.975 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.335 8.686 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 26 65.608 9.750 1.795 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.702 5.511 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 26 66.518 9.406 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 26 66.609 5.165 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.020 7.112 -1.286 1.00 0.00 H new ATOM 393 N ASP A 27 66.220 10.595 4.410 1.00 0.00 N ATOM 394 CA ASP A 27 66.832 11.906 4.042 1.00 0.00 C ATOM 395 C ASP A 27 67.987 12.238 4.990 1.00 0.00 C ATOM 396 O ASP A 27 68.681 13.220 4.817 1.00 0.00 O ATOM 397 CB ASP A 27 65.703 12.926 4.193 1.00 0.00 C ATOM 398 CG ASP A 27 65.036 13.153 2.835 1.00 0.00 C ATOM 399 OD1 ASP A 27 65.371 12.437 1.907 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.203 14.040 2.748 1.00 0.00 O ATOM 0 H ASP A 27 65.278 10.649 4.798 1.00 0.00 H new ATOM 0 HA ASP A 27 67.244 11.900 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.969 12.568 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.097 13.866 4.578 1.00 0.00 H new ATOM 405 N MET A 28 68.198 11.428 5.991 1.00 0.00 N ATOM 406 CA MET A 28 69.308 11.699 6.949 1.00 0.00 C ATOM 407 C MET A 28 70.632 11.855 6.198 1.00 0.00 C ATOM 408 O MET A 28 71.594 12.381 6.722 1.00 0.00 O ATOM 409 CB MET A 28 69.352 10.471 7.859 1.00 0.00 C ATOM 410 CG MET A 28 68.151 10.492 8.804 1.00 0.00 C ATOM 411 SD MET A 28 68.417 11.738 10.089 1.00 0.00 S ATOM 412 CE MET A 28 66.674 12.088 10.429 1.00 0.00 C ATOM 0 H MET A 28 67.650 10.590 6.187 1.00 0.00 H new ATOM 0 HA MET A 28 69.152 12.620 7.510 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.340 9.561 7.260 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.279 10.463 8.432 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.241 10.716 8.248 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.014 9.510 9.257 1.00 0.00 H new ATOM 0 HE1 MET A 28 66.600 12.846 11.208 1.00 0.00 H new ATOM 0 HE2 MET A 28 66.192 12.452 9.522 1.00 0.00 H new ATOM 0 HE3 MET A 28 66.178 11.176 10.762 1.00 0.00 H new ATOM 422 N PHE A 29 70.695 11.398 4.977 1.00 0.00 N ATOM 423 CA PHE A 29 71.968 11.519 4.203 1.00 0.00 C ATOM 424 C PHE A 29 71.696 12.150 2.834 1.00 0.00 C ATOM 425 O PHE A 29 72.510 12.079 1.936 1.00 0.00 O ATOM 426 CB PHE A 29 72.495 10.085 4.030 1.00 0.00 C ATOM 427 CG PHE A 29 72.045 9.209 5.179 1.00 0.00 C ATOM 428 CD1 PHE A 29 70.826 8.524 5.101 1.00 0.00 C ATOM 429 CD2 PHE A 29 72.845 9.086 6.322 1.00 0.00 C ATOM 430 CE1 PHE A 29 70.408 7.716 6.164 1.00 0.00 C ATOM 431 CE2 PHE A 29 72.427 8.278 7.385 1.00 0.00 C ATOM 432 CZ PHE A 29 71.209 7.593 7.306 1.00 0.00 C ATOM 0 H PHE A 29 69.925 10.948 4.482 1.00 0.00 H new ATOM 0 HA PHE A 29 72.691 12.152 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 29 72.136 9.671 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.584 10.096 3.979 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.208 8.619 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 73.785 9.615 6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 29 69.468 7.187 6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 29 73.044 8.183 8.266 1.00 0.00 H new ATOM 0 HZ PHE A 29 70.887 6.969 8.126 1.00 0.00 H new ATOM 442 N ASP A 30 70.558 12.768 2.668 1.00 0.00 N ATOM 443 CA ASP A 30 70.241 13.400 1.354 1.00 0.00 C ATOM 444 C ASP A 30 71.211 14.552 1.075 1.00 0.00 C ATOM 445 O ASP A 30 70.911 15.703 1.322 1.00 0.00 O ATOM 446 CB ASP A 30 68.812 13.924 1.500 1.00 0.00 C ATOM 447 CG ASP A 30 68.771 15.004 2.581 1.00 0.00 C ATOM 448 OD1 ASP A 30 69.721 15.091 3.339 1.00 0.00 O ATOM 449 OD2 ASP A 30 67.789 15.728 2.631 1.00 0.00 O ATOM 0 H ASP A 30 69.836 12.863 3.382 1.00 0.00 H new ATOM 0 HA ASP A 30 70.334 12.699 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 68.464 14.332 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 30 68.139 13.107 1.762 1.00 0.00 H new ATOM 490 N GLY A 35 66.152 12.417 -3.998 1.00 0.00 N ATOM 491 CA GLY A 35 65.265 11.312 -3.540 1.00 0.00 C ATOM 492 C GLY A 35 66.113 10.188 -2.946 1.00 0.00 C ATOM 493 O GLY A 35 65.598 9.246 -2.378 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.560 11.682 -2.795 1.00 0.00 H new ATOM 0 HA3 GLY A 35 64.676 10.934 -4.376 1.00 0.00 H new ATOM 497 N ASP A 36 67.408 10.273 -3.074 1.00 0.00 N ATOM 498 CA ASP A 36 68.279 9.199 -2.515 1.00 0.00 C ATOM 499 C ASP A 36 69.661 9.752 -2.162 1.00 0.00 C ATOM 500 O ASP A 36 69.882 10.947 -2.153 1.00 0.00 O ATOM 501 CB ASP A 36 68.384 8.160 -3.628 1.00 0.00 C ATOM 502 CG ASP A 36 67.120 7.303 -3.636 1.00 0.00 C ATOM 503 OD1 ASP A 36 66.109 7.781 -4.121 1.00 0.00 O ATOM 504 OD2 ASP A 36 67.185 6.180 -3.161 1.00 0.00 O ATOM 0 H ASP A 36 67.900 11.036 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 36 67.871 8.777 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.509 8.653 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 69.262 7.533 -3.475 1.00 0.00 H new ATOM 509 N ILE A 37 70.589 8.886 -1.865 1.00 0.00 N ATOM 510 CA ILE A 37 71.959 9.347 -1.503 1.00 0.00 C ATOM 511 C ILE A 37 73.004 8.583 -2.319 1.00 0.00 C ATOM 512 O ILE A 37 72.679 7.708 -3.097 1.00 0.00 O ATOM 513 CB ILE A 37 72.091 9.020 -0.017 1.00 0.00 C ATOM 514 CG1 ILE A 37 72.056 7.501 0.168 1.00 0.00 C ATOM 515 CG2 ILE A 37 70.927 9.657 0.744 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.865 7.164 1.649 1.00 0.00 C ATOM 0 H ILE A 37 70.457 7.875 -1.857 1.00 0.00 H new ATOM 0 HA ILE A 37 72.114 10.406 -1.707 1.00 0.00 H new ATOM 0 HB ILE A 37 73.033 9.412 0.367 1.00 0.00 H new ATOM 0 HG12 ILE A 37 71.244 7.072 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 37 72.983 7.059 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 37 71.017 9.426 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 37 70.949 10.738 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 37 69.985 9.261 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.841 6.082 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.692 7.578 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.926 7.592 2.001 1.00 0.00 H new ATOM 528 N SER A 38 74.257 8.900 -2.147 1.00 0.00 N ATOM 529 CA SER A 38 75.316 8.184 -2.915 1.00 0.00 C ATOM 530 C SER A 38 75.291 6.692 -2.572 1.00 0.00 C ATOM 531 O SER A 38 75.219 6.311 -1.420 1.00 0.00 O ATOM 532 CB SER A 38 76.632 8.818 -2.466 1.00 0.00 C ATOM 533 OG SER A 38 77.522 8.885 -3.572 1.00 0.00 O ATOM 0 H SER A 38 74.594 9.622 -1.510 1.00 0.00 H new ATOM 0 HA SER A 38 75.175 8.267 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 38 76.451 9.817 -2.069 1.00 0.00 H new ATOM 0 HB3 SER A 38 77.076 8.231 -1.662 1.00 0.00 H new ATOM 0 HG SER A 38 78.367 9.293 -3.288 1.00 0.00 H new ATOM 539 N THR A 39 75.345 5.845 -3.562 1.00 0.00 N ATOM 540 CA THR A 39 75.319 4.377 -3.293 1.00 0.00 C ATOM 541 C THR A 39 76.215 4.039 -2.098 1.00 0.00 C ATOM 542 O THR A 39 75.947 3.119 -1.350 1.00 0.00 O ATOM 543 CB THR A 39 75.860 3.731 -4.570 1.00 0.00 C ATOM 544 OG1 THR A 39 76.932 4.513 -5.076 1.00 0.00 O ATOM 545 CG2 THR A 39 74.746 3.651 -5.614 1.00 0.00 C ATOM 0 H THR A 39 75.406 6.104 -4.547 1.00 0.00 H new ATOM 0 HA THR A 39 74.319 4.021 -3.048 1.00 0.00 H new ATOM 0 HB THR A 39 76.218 2.726 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 39 77.458 3.978 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 39 75.132 3.191 -6.523 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.924 3.050 -5.224 1.00 0.00 H new ATOM 0 HG23 THR A 39 74.386 4.655 -5.840 1.00 0.00 H new ATOM 553 N LYS A 40 77.279 4.772 -1.913 1.00 0.00 N ATOM 554 CA LYS A 40 78.188 4.488 -0.765 1.00 0.00 C ATOM 555 C LYS A 40 77.442 4.665 0.559 1.00 0.00 C ATOM 556 O LYS A 40 77.820 4.117 1.576 1.00 0.00 O ATOM 557 CB LYS A 40 79.317 5.513 -0.887 1.00 0.00 C ATOM 558 CG LYS A 40 80.663 4.814 -0.693 1.00 0.00 C ATOM 559 CD LYS A 40 81.687 5.816 -0.156 1.00 0.00 C ATOM 560 CE LYS A 40 82.297 6.597 -1.322 1.00 0.00 C ATOM 561 NZ LYS A 40 83.770 6.449 -1.155 1.00 0.00 N ATOM 0 H LYS A 40 77.558 5.554 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 40 78.564 3.465 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.282 5.994 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 40 79.192 6.298 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.555 3.981 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.008 4.397 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.209 6.501 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 40 82.469 5.293 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.966 6.198 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.000 7.645 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 84.259 6.958 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 84.057 6.844 -0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 84.024 5.441 -1.193 1.00 0.00 H new ATOM 575 N GLU A 41 76.384 5.429 0.555 1.00 0.00 N ATOM 576 CA GLU A 41 75.613 5.642 1.814 1.00 0.00 C ATOM 577 C GLU A 41 74.384 4.729 1.842 1.00 0.00 C ATOM 578 O GLU A 41 73.584 4.773 2.756 1.00 0.00 O ATOM 579 CB GLU A 41 75.191 7.111 1.774 1.00 0.00 C ATOM 580 CG GLU A 41 74.553 7.500 3.109 1.00 0.00 C ATOM 581 CD GLU A 41 75.615 8.111 4.025 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.569 8.665 3.506 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.455 8.015 5.231 1.00 0.00 O ATOM 0 H GLU A 41 76.020 5.915 -0.265 1.00 0.00 H new ATOM 0 HA GLU A 41 76.199 5.411 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 41 76.057 7.743 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 41 74.484 7.274 0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.746 8.214 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 41 74.111 6.623 3.582 1.00 0.00 H new ATOM 590 N LEU A 42 74.226 3.902 0.845 1.00 0.00 N ATOM 591 CA LEU A 42 73.049 2.987 0.814 1.00 0.00 C ATOM 592 C LEU A 42 73.081 2.036 2.015 1.00 0.00 C ATOM 593 O LEU A 42 72.055 1.659 2.547 1.00 0.00 O ATOM 594 CB LEU A 42 73.193 2.205 -0.493 1.00 0.00 C ATOM 595 CG LEU A 42 72.231 1.016 -0.485 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.256 1.142 -1.656 1.00 0.00 C ATOM 597 CD2 LEU A 42 73.026 -0.283 -0.621 1.00 0.00 C ATOM 0 H LEU A 42 74.861 3.820 0.051 1.00 0.00 H new ATOM 0 HA LEU A 42 72.104 3.528 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 42 72.979 2.854 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 42 74.219 1.856 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 42 71.674 1.005 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.570 0.295 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.690 2.068 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.812 1.153 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.341 -1.131 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.583 -0.272 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 42 73.722 -0.373 0.213 1.00 0.00 H new ATOM 609 N GLY A 43 74.250 1.645 2.442 1.00 0.00 N ATOM 610 CA GLY A 43 74.346 0.719 3.605 1.00 0.00 C ATOM 611 C GLY A 43 73.907 1.440 4.880 1.00 0.00 C ATOM 612 O GLY A 43 73.333 0.849 5.774 1.00 0.00 O ATOM 0 H GLY A 43 75.142 1.927 2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 43 73.719 -0.156 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.370 0.361 3.713 1.00 0.00 H new ATOM 616 N THR A 44 74.176 2.714 4.976 1.00 0.00 N ATOM 617 CA THR A 44 73.776 3.469 6.199 1.00 0.00 C ATOM 618 C THR A 44 72.264 3.710 6.207 1.00 0.00 C ATOM 619 O THR A 44 71.571 3.337 7.133 1.00 0.00 O ATOM 620 CB THR A 44 74.530 4.797 6.107 1.00 0.00 C ATOM 621 OG1 THR A 44 75.904 4.579 6.392 1.00 0.00 O ATOM 622 CG2 THR A 44 73.948 5.788 7.117 1.00 0.00 C ATOM 0 H THR A 44 74.654 3.264 4.262 1.00 0.00 H new ATOM 0 HA THR A 44 74.013 2.926 7.114 1.00 0.00 H new ATOM 0 HB THR A 44 74.427 5.205 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.389 5.428 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.486 6.734 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 44 72.893 5.954 6.897 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.049 5.383 8.124 1.00 0.00 H new ATOM 630 N VAL A 45 71.748 4.338 5.186 1.00 0.00 N ATOM 631 CA VAL A 45 70.282 4.609 5.137 1.00 0.00 C ATOM 632 C VAL A 45 69.489 3.362 5.543 1.00 0.00 C ATOM 633 O VAL A 45 68.530 3.442 6.285 1.00 0.00 O ATOM 634 CB VAL A 45 69.994 4.977 3.682 1.00 0.00 C ATOM 635 CG1 VAL A 45 70.551 3.892 2.758 1.00 0.00 C ATOM 636 CG2 VAL A 45 68.482 5.092 3.474 1.00 0.00 C ATOM 0 H VAL A 45 72.278 4.676 4.383 1.00 0.00 H new ATOM 0 HA VAL A 45 69.991 5.403 5.825 1.00 0.00 H new ATOM 0 HB VAL A 45 70.469 5.931 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 45 70.345 4.156 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 45 71.628 3.808 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 45 70.078 2.938 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.276 5.355 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 68.009 4.138 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.082 5.865 4.130 1.00 0.00 H new ATOM 646 N MET A 46 69.874 2.213 5.060 1.00 0.00 N ATOM 647 CA MET A 46 69.131 0.970 5.418 1.00 0.00 C ATOM 648 C MET A 46 69.554 0.467 6.803 1.00 0.00 C ATOM 649 O MET A 46 68.729 0.101 7.617 1.00 0.00 O ATOM 650 CB MET A 46 69.505 -0.045 4.336 1.00 0.00 C ATOM 651 CG MET A 46 70.993 -0.385 4.436 1.00 0.00 C ATOM 652 SD MET A 46 71.515 -1.252 2.936 1.00 0.00 S ATOM 653 CE MET A 46 70.614 -2.791 3.238 1.00 0.00 C ATOM 0 H MET A 46 70.669 2.080 4.434 1.00 0.00 H new ATOM 0 HA MET A 46 68.055 1.137 5.464 1.00 0.00 H new ATOM 0 HB2 MET A 46 68.908 -0.949 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.281 0.362 3.350 1.00 0.00 H new ATOM 0 HG2 MET A 46 71.577 0.526 4.564 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.177 -1.008 5.312 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.181 -3.630 2.834 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.478 -2.928 4.311 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.640 -2.744 2.752 1.00 0.00 H new ATOM 663 N ARG A 47 70.830 0.445 7.078 1.00 0.00 N ATOM 664 CA ARG A 47 71.297 -0.038 8.411 1.00 0.00 C ATOM 665 C ARG A 47 70.892 0.950 9.507 1.00 0.00 C ATOM 666 O ARG A 47 70.810 0.604 10.669 1.00 0.00 O ATOM 667 CB ARG A 47 72.819 -0.113 8.292 1.00 0.00 C ATOM 668 CG ARG A 47 73.378 -0.989 9.414 1.00 0.00 C ATOM 669 CD ARG A 47 74.869 -1.234 9.178 1.00 0.00 C ATOM 670 NE ARG A 47 75.548 -0.024 9.720 1.00 0.00 N ATOM 671 CZ ARG A 47 76.712 -0.134 10.301 1.00 0.00 C ATOM 672 NH1 ARG A 47 77.805 -0.058 9.592 1.00 0.00 N ATOM 673 NH2 ARG A 47 76.783 -0.320 11.591 1.00 0.00 N ATOM 0 H ARG A 47 71.569 0.740 6.439 1.00 0.00 H new ATOM 0 HA ARG A 47 70.860 -1.000 8.677 1.00 0.00 H new ATOM 0 HB2 ARG A 47 73.098 -0.524 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 47 73.248 0.887 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 47 73.227 -0.503 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 47 72.844 -1.939 9.448 1.00 0.00 H new ATOM 0 HD2 ARG A 47 75.206 -2.137 9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 47 75.084 -1.366 8.118 1.00 0.00 H new ATOM 0 HE ARG A 47 75.104 0.890 9.637 1.00 0.00 H new ATOM 0 HH11 ARG A 47 77.750 0.087 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.714 -0.144 10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 47 75.929 -0.379 12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.693 -0.406 12.045 1.00 0.00 H new ATOM 687 N MET A 48 70.640 2.177 9.147 1.00 0.00 N ATOM 688 CA MET A 48 70.241 3.189 10.168 1.00 0.00 C ATOM 689 C MET A 48 68.773 2.998 10.558 1.00 0.00 C ATOM 690 O MET A 48 68.283 3.611 11.486 1.00 0.00 O ATOM 691 CB MET A 48 70.443 4.541 9.482 1.00 0.00 C ATOM 692 CG MET A 48 71.868 5.034 9.736 1.00 0.00 C ATOM 693 SD MET A 48 71.938 5.879 11.335 1.00 0.00 S ATOM 694 CE MET A 48 71.033 7.367 10.843 1.00 0.00 C ATOM 0 H MET A 48 70.693 2.525 8.189 1.00 0.00 H new ATOM 0 HA MET A 48 70.825 3.105 11.085 1.00 0.00 H new ATOM 0 HB2 MET A 48 70.265 4.447 8.411 1.00 0.00 H new ATOM 0 HB3 MET A 48 69.723 5.265 9.863 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.562 4.194 9.726 1.00 0.00 H new ATOM 0 HG3 MET A 48 72.177 5.712 8.940 1.00 0.00 H new ATOM 0 HE1 MET A 48 70.587 7.829 11.724 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.719 8.071 10.372 1.00 0.00 H new ATOM 0 HE3 MET A 48 70.247 7.098 10.137 1.00 0.00 H new ATOM 704 N LEU A 49 68.068 2.153 9.857 1.00 0.00 N ATOM 705 CA LEU A 49 66.633 1.927 10.187 1.00 0.00 C ATOM 706 C LEU A 49 66.492 0.770 11.181 1.00 0.00 C ATOM 707 O LEU A 49 65.865 0.904 12.215 1.00 0.00 O ATOM 708 CB LEU A 49 65.970 1.581 8.854 1.00 0.00 C ATOM 709 CG LEU A 49 66.161 2.742 7.876 1.00 0.00 C ATOM 710 CD1 LEU A 49 65.762 2.296 6.469 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.283 3.920 8.306 1.00 0.00 C ATOM 0 H LEU A 49 68.424 1.610 9.070 1.00 0.00 H new ATOM 0 HA LEU A 49 66.174 2.798 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 49 66.406 0.670 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.908 1.387 9.003 1.00 0.00 H new ATOM 0 HG LEU A 49 67.207 3.048 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.898 3.123 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 49 66.387 1.457 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.716 1.989 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 49 65.418 4.748 7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.237 3.613 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.568 4.239 9.309 1.00 0.00 H new ATOM 723 N GLY A 50 67.068 -0.364 10.884 1.00 0.00 N ATOM 724 CA GLY A 50 66.957 -1.515 11.827 1.00 0.00 C ATOM 725 C GLY A 50 67.534 -2.790 11.197 1.00 0.00 C ATOM 726 O GLY A 50 67.121 -3.886 11.520 1.00 0.00 O ATOM 0 H GLY A 50 67.606 -0.543 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 50 67.489 -1.287 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.912 -1.675 12.092 1.00 0.00 H new ATOM 730 N GLN A 51 68.489 -2.667 10.315 1.00 0.00 N ATOM 731 CA GLN A 51 69.085 -3.887 9.691 1.00 0.00 C ATOM 732 C GLN A 51 70.613 -3.822 9.768 1.00 0.00 C ATOM 733 O GLN A 51 71.177 -2.871 10.270 1.00 0.00 O ATOM 734 CB GLN A 51 68.615 -3.891 8.231 1.00 0.00 C ATOM 735 CG GLN A 51 68.563 -2.462 7.687 1.00 0.00 C ATOM 736 CD GLN A 51 67.140 -1.918 7.817 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.655 -1.705 8.910 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.444 -1.683 6.739 1.00 0.00 N ATOM 0 H GLN A 51 68.882 -1.780 10.000 1.00 0.00 H new ATOM 0 HA GLN A 51 68.774 -4.797 10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.292 -4.494 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.629 -4.351 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 51 69.258 -1.827 8.236 1.00 0.00 H new ATOM 0 HG3 GLN A 51 68.875 -2.448 6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.850 -1.861 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.493 -1.321 6.815 1.00 0.00 H new ATOM 747 N ASN A 52 71.286 -4.825 9.275 1.00 0.00 N ATOM 748 CA ASN A 52 72.777 -4.817 9.325 1.00 0.00 C ATOM 749 C ASN A 52 73.354 -5.574 8.125 1.00 0.00 C ATOM 750 O ASN A 52 73.732 -6.723 8.240 1.00 0.00 O ATOM 751 CB ASN A 52 73.132 -5.531 10.630 1.00 0.00 C ATOM 752 CG ASN A 52 73.267 -4.503 11.753 1.00 0.00 C ATOM 753 OD1 ASN A 52 73.594 -3.359 11.510 1.00 0.00 O ATOM 754 ND2 ASN A 52 73.025 -4.865 12.984 1.00 0.00 N ATOM 0 H ASN A 52 70.870 -5.649 8.840 1.00 0.00 H new ATOM 0 HA ASN A 52 73.185 -3.807 9.287 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.360 -6.259 10.880 1.00 0.00 H new ATOM 0 HB3 ASN A 52 74.065 -6.082 10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 52 73.111 -4.187 13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 52 72.750 -5.826 13.188 1.00 0.00 H new ATOM 761 N PRO A 53 73.402 -4.898 7.011 1.00 0.00 N ATOM 762 CA PRO A 53 73.941 -5.509 5.772 1.00 0.00 C ATOM 763 C PRO A 53 75.466 -5.611 5.851 1.00 0.00 C ATOM 764 O PRO A 53 76.155 -4.622 6.010 1.00 0.00 O ATOM 765 CB PRO A 53 73.522 -4.531 4.679 1.00 0.00 C ATOM 766 CG PRO A 53 73.358 -3.217 5.374 1.00 0.00 C ATOM 767 CD PRO A 53 72.964 -3.514 6.801 1.00 0.00 C ATOM 0 HA PRO A 53 73.574 -6.520 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 53 74.276 -4.470 3.894 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.592 -4.845 4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.286 -2.646 5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.595 -2.614 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.449 -2.832 7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 53 71.889 -3.409 6.948 1.00 0.00 H new ATOM 775 N THR A 54 76.002 -6.795 5.740 1.00 0.00 N ATOM 776 CA THR A 54 77.484 -6.947 5.809 1.00 0.00 C ATOM 777 C THR A 54 78.146 -6.119 4.705 1.00 0.00 C ATOM 778 O THR A 54 77.659 -6.048 3.594 1.00 0.00 O ATOM 779 CB THR A 54 77.742 -8.438 5.592 1.00 0.00 C ATOM 780 OG1 THR A 54 76.853 -8.932 4.600 1.00 0.00 O ATOM 781 CG2 THR A 54 77.519 -9.195 6.902 1.00 0.00 C ATOM 0 H THR A 54 75.481 -7.661 5.605 1.00 0.00 H new ATOM 0 HA THR A 54 77.893 -6.600 6.758 1.00 0.00 H new ATOM 0 HB THR A 54 78.771 -8.583 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.194 -9.525 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 54 77.704 -10.258 6.744 1.00 0.00 H new ATOM 0 HG22 THR A 54 78.203 -8.817 7.662 1.00 0.00 H new ATOM 0 HG23 THR A 54 76.491 -9.051 7.235 1.00 0.00 H new ATOM 789 N LYS A 55 79.250 -5.490 4.999 1.00 0.00 N ATOM 790 CA LYS A 55 79.936 -4.667 3.962 1.00 0.00 C ATOM 791 C LYS A 55 80.148 -5.491 2.690 1.00 0.00 C ATOM 792 O LYS A 55 79.750 -5.099 1.611 1.00 0.00 O ATOM 793 CB LYS A 55 81.279 -4.283 4.582 1.00 0.00 C ATOM 794 CG LYS A 55 81.742 -2.944 4.004 1.00 0.00 C ATOM 795 CD LYS A 55 82.369 -2.098 5.113 1.00 0.00 C ATOM 796 CE LYS A 55 81.849 -0.662 5.016 1.00 0.00 C ATOM 797 NZ LYS A 55 82.841 0.048 4.163 1.00 0.00 N ATOM 0 H LYS A 55 79.707 -5.510 5.911 1.00 0.00 H new ATOM 0 HA LYS A 55 79.354 -3.790 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.184 -4.211 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 55 82.020 -5.056 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.466 -3.111 3.206 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.897 -2.415 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 55 82.125 -2.519 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.455 -2.109 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 80.854 -0.631 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 55 81.774 -0.202 6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 82.554 1.041 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 83.778 0.008 4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 82.886 -0.408 3.230 1.00 0.00 H new ATOM 811 N GLU A 56 80.770 -6.632 2.807 1.00 0.00 N ATOM 812 CA GLU A 56 81.004 -7.479 1.602 1.00 0.00 C ATOM 813 C GLU A 56 79.696 -7.671 0.830 1.00 0.00 C ATOM 814 O GLU A 56 79.695 -7.855 -0.371 1.00 0.00 O ATOM 815 CB GLU A 56 81.507 -8.816 2.150 1.00 0.00 C ATOM 816 CG GLU A 56 83.002 -8.712 2.456 1.00 0.00 C ATOM 817 CD GLU A 56 83.642 -10.098 2.352 1.00 0.00 C ATOM 818 OE1 GLU A 56 82.905 -11.069 2.336 1.00 0.00 O ATOM 819 OE2 GLU A 56 84.859 -10.163 2.288 1.00 0.00 O ATOM 0 H GLU A 56 81.126 -7.014 3.683 1.00 0.00 H new ATOM 0 HA GLU A 56 81.717 -7.029 0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 80.958 -9.081 3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 56 81.328 -9.609 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 56 83.480 -8.026 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 83.152 -8.305 3.456 1.00 0.00 H new ATOM 826 N GLU A 57 78.583 -7.629 1.510 1.00 0.00 N ATOM 827 CA GLU A 57 77.276 -7.808 0.813 1.00 0.00 C ATOM 828 C GLU A 57 76.872 -6.510 0.110 1.00 0.00 C ATOM 829 O GLU A 57 76.451 -6.516 -1.030 1.00 0.00 O ATOM 830 CB GLU A 57 76.280 -8.153 1.921 1.00 0.00 C ATOM 831 CG GLU A 57 76.218 -9.671 2.099 1.00 0.00 C ATOM 832 CD GLU A 57 75.598 -10.306 0.853 1.00 0.00 C ATOM 833 OE1 GLU A 57 75.414 -9.596 -0.121 1.00 0.00 O ATOM 834 OE2 GLU A 57 75.316 -11.493 0.895 1.00 0.00 O ATOM 0 H GLU A 57 78.521 -7.479 2.517 1.00 0.00 H new ATOM 0 HA GLU A 57 77.317 -8.583 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 57 76.581 -7.679 2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 75.293 -7.765 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 57 77.219 -10.070 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 57 75.627 -9.921 2.980 1.00 0.00 H new ATOM 841 N LEU A 58 76.997 -5.396 0.779 1.00 0.00 N ATOM 842 CA LEU A 58 76.621 -4.100 0.144 1.00 0.00 C ATOM 843 C LEU A 58 77.390 -3.915 -1.167 1.00 0.00 C ATOM 844 O LEU A 58 76.828 -3.549 -2.181 1.00 0.00 O ATOM 845 CB LEU A 58 77.023 -3.027 1.158 1.00 0.00 C ATOM 846 CG LEU A 58 76.135 -3.132 2.398 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.327 -1.891 3.270 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.669 -3.230 1.968 1.00 0.00 C ATOM 0 H LEU A 58 77.343 -5.327 1.736 1.00 0.00 H new ATOM 0 HA LEU A 58 75.559 -4.051 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 58 78.070 -3.150 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.926 -2.037 0.712 1.00 0.00 H new ATOM 0 HG LEU A 58 76.409 -4.021 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 58 75.694 -1.966 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.371 -1.819 3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.054 -1.002 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.035 -3.305 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.396 -2.341 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.531 -4.114 1.346 1.00 0.00 H new ATOM 860 N ASP A 59 78.670 -4.166 -1.155 1.00 0.00 N ATOM 861 CA ASP A 59 79.474 -4.005 -2.401 1.00 0.00 C ATOM 862 C ASP A 59 78.871 -4.842 -3.533 1.00 0.00 C ATOM 863 O ASP A 59 78.983 -4.505 -4.694 1.00 0.00 O ATOM 864 CB ASP A 59 80.869 -4.519 -2.041 1.00 0.00 C ATOM 865 CG ASP A 59 81.671 -3.397 -1.377 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.346 -3.048 -0.254 1.00 0.00 O ATOM 867 OD2 ASP A 59 82.595 -2.906 -2.003 1.00 0.00 O ATOM 0 H ASP A 59 79.195 -4.476 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 59 79.496 -2.972 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.791 -5.372 -1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 59 81.383 -4.866 -2.937 1.00 0.00 H new ATOM 872 N ALA A 60 78.234 -5.932 -3.203 1.00 0.00 N ATOM 873 CA ALA A 60 77.625 -6.789 -4.261 1.00 0.00 C ATOM 874 C ALA A 60 76.328 -6.158 -4.775 1.00 0.00 C ATOM 875 O ALA A 60 76.152 -5.961 -5.961 1.00 0.00 O ATOM 876 CB ALA A 60 77.337 -8.123 -3.572 1.00 0.00 C ATOM 0 H ALA A 60 78.109 -6.266 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 60 78.281 -6.908 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 60 76.886 -8.812 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 60 78.268 -8.547 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 60 76.651 -7.962 -2.740 1.00 0.00 H new ATOM 882 N ILE A 61 75.420 -5.842 -3.894 1.00 0.00 N ATOM 883 CA ILE A 61 74.136 -5.225 -4.336 1.00 0.00 C ATOM 884 C ILE A 61 74.379 -3.799 -4.834 1.00 0.00 C ATOM 885 O ILE A 61 73.736 -3.334 -5.755 1.00 0.00 O ATOM 886 CB ILE A 61 73.251 -5.214 -3.091 1.00 0.00 C ATOM 887 CG1 ILE A 61 72.759 -6.634 -2.804 1.00 0.00 C ATOM 888 CG2 ILE A 61 72.048 -4.298 -3.330 1.00 0.00 C ATOM 889 CD1 ILE A 61 73.165 -7.038 -1.385 1.00 0.00 C ATOM 0 H ILE A 61 75.510 -5.984 -2.888 1.00 0.00 H new ATOM 0 HA ILE A 61 73.676 -5.774 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 61 73.825 -4.848 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 61 71.675 -6.684 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 61 73.183 -7.330 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.415 -4.289 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.397 -3.286 -3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 61 71.474 -4.666 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 61 72.815 -8.050 -1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 61 74.251 -7.005 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.719 -6.348 -0.669 1.00 0.00 H new ATOM 901 N ILE A 62 75.302 -3.099 -4.234 1.00 0.00 N ATOM 902 CA ILE A 62 75.585 -1.703 -4.675 1.00 0.00 C ATOM 903 C ILE A 62 75.967 -1.689 -6.158 1.00 0.00 C ATOM 904 O ILE A 62 75.285 -1.109 -6.978 1.00 0.00 O ATOM 905 CB ILE A 62 76.759 -1.244 -3.810 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.254 -0.904 -2.406 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.404 -0.004 -4.433 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.440 -0.543 -1.509 1.00 0.00 C ATOM 0 H ILE A 62 75.873 -3.433 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 62 74.721 -1.048 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 62 77.497 -2.043 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.553 -0.071 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.713 -1.753 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.240 0.321 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.765 -0.245 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.667 0.797 -4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.080 -0.301 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.125 -1.389 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 62 77.962 0.319 -1.925 1.00 0.00 H new ATOM 920 N GLU A 63 77.054 -2.323 -6.506 1.00 0.00 N ATOM 921 CA GLU A 63 77.478 -2.347 -7.935 1.00 0.00 C ATOM 922 C GLU A 63 76.266 -2.584 -8.840 1.00 0.00 C ATOM 923 O GLU A 63 76.202 -2.095 -9.950 1.00 0.00 O ATOM 924 CB GLU A 63 78.461 -3.515 -8.036 1.00 0.00 C ATOM 925 CG GLU A 63 79.697 -3.074 -8.821 1.00 0.00 C ATOM 926 CD GLU A 63 80.834 -4.070 -8.584 1.00 0.00 C ATOM 927 OE1 GLU A 63 80.785 -4.768 -7.585 1.00 0.00 O ATOM 928 OE2 GLU A 63 81.735 -4.117 -9.405 1.00 0.00 O ATOM 0 H GLU A 63 77.666 -2.825 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 63 77.930 -1.406 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.750 -3.848 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 63 77.986 -4.362 -8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 63 79.465 -3.017 -9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 80.003 -2.076 -8.508 1.00 0.00 H new ATOM 935 N GLU A 64 75.302 -3.328 -8.370 1.00 0.00 N ATOM 936 CA GLU A 64 74.091 -3.593 -9.198 1.00 0.00 C ATOM 937 C GLU A 64 73.210 -2.340 -9.251 1.00 0.00 C ATOM 938 O GLU A 64 72.711 -1.962 -10.293 1.00 0.00 O ATOM 939 CB GLU A 64 73.369 -4.738 -8.477 1.00 0.00 C ATOM 940 CG GLU A 64 71.888 -4.753 -8.868 1.00 0.00 C ATOM 941 CD GLU A 64 71.288 -6.123 -8.547 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.876 -6.318 -7.416 1.00 0.00 O ATOM 943 OE2 GLU A 64 71.251 -6.955 -9.439 1.00 0.00 O ATOM 0 H GLU A 64 75.301 -3.764 -7.448 1.00 0.00 H new ATOM 0 HA GLU A 64 74.334 -3.852 -10.229 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.831 -5.690 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.467 -4.619 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 71.351 -3.974 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 64 71.780 -4.537 -9.931 1.00 0.00 H new ATOM 950 N VAL A 65 73.018 -1.696 -8.134 1.00 0.00 N ATOM 951 CA VAL A 65 72.171 -0.470 -8.110 1.00 0.00 C ATOM 952 C VAL A 65 73.027 0.772 -8.372 1.00 0.00 C ATOM 953 O VAL A 65 72.522 1.864 -8.539 1.00 0.00 O ATOM 954 CB VAL A 65 71.588 -0.428 -6.699 1.00 0.00 C ATOM 955 CG1 VAL A 65 71.044 -1.810 -6.330 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.688 -0.033 -5.708 1.00 0.00 C ATOM 0 H VAL A 65 73.412 -1.967 -7.233 1.00 0.00 H new ATOM 0 HA VAL A 65 71.396 -0.487 -8.876 1.00 0.00 H new ATOM 0 HB VAL A 65 70.780 0.303 -6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 65 70.628 -1.780 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 65 70.264 -2.095 -7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 65 71.852 -2.541 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 65 72.275 -0.002 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 65 73.494 -0.766 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 65 73.078 0.950 -5.971 1.00 0.00 H new ATOM 966 N ASP A 66 74.320 0.611 -8.399 1.00 0.00 N ATOM 967 CA ASP A 66 75.212 1.779 -8.641 1.00 0.00 C ATOM 968 C ASP A 66 74.924 2.395 -10.011 1.00 0.00 C ATOM 969 O ASP A 66 73.791 2.477 -10.440 1.00 0.00 O ATOM 970 CB ASP A 66 76.629 1.207 -8.598 1.00 0.00 C ATOM 971 CG ASP A 66 77.562 2.203 -7.906 1.00 0.00 C ATOM 972 OD1 ASP A 66 77.648 2.157 -6.690 1.00 0.00 O ATOM 973 OD2 ASP A 66 78.175 2.994 -8.604 1.00 0.00 O ATOM 0 H ASP A 66 74.798 -0.280 -8.264 1.00 0.00 H new ATOM 0 HA ASP A 66 75.066 2.569 -7.904 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.633 0.257 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 66 76.982 1.005 -9.609 1.00 0.00 H new ATOM 1030 N THR A 72 72.987 6.647 -8.425 1.00 0.00 N ATOM 1031 CA THR A 72 72.937 6.169 -7.014 1.00 0.00 C ATOM 1032 C THR A 72 71.753 5.219 -6.819 1.00 0.00 C ATOM 1033 O THR A 72 71.437 4.420 -7.678 1.00 0.00 O ATOM 1034 CB THR A 72 72.757 7.434 -6.174 1.00 0.00 C ATOM 1035 OG1 THR A 72 71.457 7.964 -6.392 1.00 0.00 O ATOM 1036 CG2 THR A 72 73.808 8.470 -6.579 1.00 0.00 C ATOM 0 HA THR A 72 73.834 5.618 -6.732 1.00 0.00 H new ATOM 0 HB THR A 72 72.878 7.191 -5.118 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.172 7.764 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 72 73.680 9.372 -5.980 1.00 0.00 H new ATOM 0 HG22 THR A 72 74.805 8.062 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.689 8.715 -7.634 1.00 0.00 H new ATOM 1044 N ILE A 73 71.094 5.299 -5.695 1.00 0.00 N ATOM 1045 CA ILE A 73 69.931 4.400 -5.444 1.00 0.00 C ATOM 1046 C ILE A 73 68.626 5.200 -5.496 1.00 0.00 C ATOM 1047 O ILE A 73 68.632 6.414 -5.499 1.00 0.00 O ATOM 1048 CB ILE A 73 70.168 3.838 -4.040 1.00 0.00 C ATOM 1049 CG1 ILE A 73 69.258 2.628 -3.808 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.859 4.912 -2.997 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.614 1.517 -4.799 1.00 0.00 C ATOM 0 H ILE A 73 71.311 5.949 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 73 69.845 3.610 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 73 71.210 3.532 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 73 69.371 2.267 -2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 73 68.214 2.917 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.029 4.509 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.509 5.772 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.818 5.222 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.965 0.658 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.478 1.881 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.653 1.220 -4.655 1.00 0.00 H new ATOM 1063 N ASP A 74 67.506 4.529 -5.539 1.00 0.00 N ATOM 1064 CA ASP A 74 66.200 5.248 -5.589 1.00 0.00 C ATOM 1065 C ASP A 74 65.339 4.854 -4.384 1.00 0.00 C ATOM 1066 O ASP A 74 65.192 3.690 -4.073 1.00 0.00 O ATOM 1067 CB ASP A 74 65.544 4.785 -6.890 1.00 0.00 C ATOM 1068 CG ASP A 74 66.448 5.141 -8.072 1.00 0.00 C ATOM 1069 OD1 ASP A 74 67.587 5.505 -7.832 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.984 5.044 -9.196 1.00 0.00 O ATOM 0 H ASP A 74 67.439 3.511 -5.542 1.00 0.00 H new ATOM 0 HA ASP A 74 66.320 6.331 -5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 74 65.373 3.709 -6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.570 5.260 -7.008 1.00 0.00 H new ATOM 1075 N PHE A 75 64.769 5.812 -3.702 1.00 0.00 N ATOM 1076 CA PHE A 75 63.924 5.475 -2.520 1.00 0.00 C ATOM 1077 C PHE A 75 62.974 4.326 -2.866 1.00 0.00 C ATOM 1078 O PHE A 75 62.751 3.432 -2.075 1.00 0.00 O ATOM 1079 CB PHE A 75 63.138 6.749 -2.210 1.00 0.00 C ATOM 1080 CG PHE A 75 62.528 6.638 -0.834 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.312 5.964 -0.659 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.178 7.205 0.270 1.00 0.00 C ATOM 1083 CE1 PHE A 75 60.747 5.858 0.617 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.612 7.098 1.547 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.397 6.425 1.721 1.00 0.00 C ATOM 0 H PHE A 75 64.851 6.807 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 75 64.519 5.152 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.796 7.617 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 75 62.357 6.898 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 75 60.810 5.526 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 75 64.115 7.725 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 75 59.809 5.339 0.751 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.113 7.535 2.398 1.00 0.00 H new ATOM 0 HZ PHE A 75 60.961 6.343 2.706 1.00 0.00 H new ATOM 1095 N GLU A 76 62.414 4.343 -4.045 1.00 0.00 N ATOM 1096 CA GLU A 76 61.480 3.251 -4.443 1.00 0.00 C ATOM 1097 C GLU A 76 62.240 1.927 -4.562 1.00 0.00 C ATOM 1098 O GLU A 76 61.934 0.961 -3.891 1.00 0.00 O ATOM 1099 CB GLU A 76 60.930 3.675 -5.805 1.00 0.00 C ATOM 1100 CG GLU A 76 59.542 4.293 -5.626 1.00 0.00 C ATOM 1101 CD GLU A 76 58.808 4.298 -6.968 1.00 0.00 C ATOM 1102 OE1 GLU A 76 59.345 3.749 -7.916 1.00 0.00 O ATOM 1103 OE2 GLU A 76 57.722 4.851 -7.026 1.00 0.00 O ATOM 0 H GLU A 76 62.563 5.065 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 76 60.685 3.100 -3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 76 61.602 4.394 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.873 2.813 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 76 58.972 3.726 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 76 59.632 5.310 -5.245 1.00 0.00 H new ATOM 1110 N GLU A 77 63.231 1.875 -5.410 1.00 0.00 N ATOM 1111 CA GLU A 77 64.010 0.615 -5.572 1.00 0.00 C ATOM 1112 C GLU A 77 64.815 0.323 -4.303 1.00 0.00 C ATOM 1113 O GLU A 77 65.190 -0.800 -4.041 1.00 0.00 O ATOM 1114 CB GLU A 77 64.946 0.876 -6.752 1.00 0.00 C ATOM 1115 CG GLU A 77 65.936 -0.282 -6.884 1.00 0.00 C ATOM 1116 CD GLU A 77 66.676 -0.171 -8.218 1.00 0.00 C ATOM 1117 OE1 GLU A 77 67.217 0.890 -8.486 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.690 -1.147 -8.949 1.00 0.00 O ATOM 0 H GLU A 77 63.535 2.651 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 77 63.367 -0.248 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.369 0.982 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.483 1.813 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 77 66.648 -0.262 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.408 -1.234 -6.827 1.00 0.00 H new ATOM 1125 N PHE A 78 65.081 1.328 -3.513 1.00 0.00 N ATOM 1126 CA PHE A 78 65.860 1.105 -2.261 1.00 0.00 C ATOM 1127 C PHE A 78 64.977 0.420 -1.214 1.00 0.00 C ATOM 1128 O PHE A 78 65.456 -0.285 -0.348 1.00 0.00 O ATOM 1129 CB PHE A 78 66.266 2.506 -1.795 1.00 0.00 C ATOM 1130 CG PHE A 78 66.664 2.465 -0.337 1.00 0.00 C ATOM 1131 CD1 PHE A 78 67.915 1.957 0.033 1.00 0.00 C ATOM 1132 CD2 PHE A 78 65.782 2.935 0.642 1.00 0.00 C ATOM 1133 CE1 PHE A 78 68.283 1.919 1.383 1.00 0.00 C ATOM 1134 CE2 PHE A 78 66.150 2.898 1.993 1.00 0.00 C ATOM 1135 CZ PHE A 78 67.401 2.389 2.363 1.00 0.00 C ATOM 0 H PHE A 78 64.793 2.292 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 78 66.727 0.463 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.096 2.873 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.438 3.200 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.596 1.595 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 78 64.817 3.327 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.248 1.527 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 78 65.470 3.262 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 78 67.685 2.359 3.404 1.00 0.00 H new ATOM 1145 N LEU A 79 63.692 0.623 -1.289 1.00 0.00 N ATOM 1146 CA LEU A 79 62.776 -0.013 -0.299 1.00 0.00 C ATOM 1147 C LEU A 79 63.048 -1.517 -0.211 1.00 0.00 C ATOM 1148 O LEU A 79 62.930 -2.115 0.840 1.00 0.00 O ATOM 1149 CB LEU A 79 61.370 0.250 -0.839 1.00 0.00 C ATOM 1150 CG LEU A 79 60.902 1.635 -0.388 1.00 0.00 C ATOM 1151 CD1 LEU A 79 60.100 2.295 -1.511 1.00 0.00 C ATOM 1152 CD2 LEU A 79 60.018 1.494 0.853 1.00 0.00 C ATOM 0 H LEU A 79 63.235 1.202 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 79 62.910 0.389 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.370 0.191 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.681 -0.514 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 79 61.769 2.251 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.767 3.282 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.728 2.395 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 79 59.233 1.679 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.684 2.480 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 79 59.152 0.877 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.588 1.024 1.654 1.00 0.00 H new ATOM 1164 N VAL A 80 63.411 -2.133 -1.302 1.00 0.00 N ATOM 1165 CA VAL A 80 63.686 -3.599 -1.269 1.00 0.00 C ATOM 1166 C VAL A 80 64.985 -3.876 -0.504 1.00 0.00 C ATOM 1167 O VAL A 80 65.092 -4.841 0.224 1.00 0.00 O ATOM 1168 CB VAL A 80 63.814 -4.018 -2.737 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.192 -3.624 -3.275 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.643 -5.535 -2.847 1.00 0.00 C ATOM 0 H VAL A 80 63.529 -1.688 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 80 62.899 -4.156 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 80 63.044 -3.515 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.275 -3.925 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.317 -2.544 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.966 -4.122 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.733 -5.837 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.414 -6.032 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.660 -5.819 -2.471 1.00 0.00 H new ATOM 1180 N MET A 81 65.970 -3.034 -0.661 1.00 0.00 N ATOM 1181 CA MET A 81 67.256 -3.252 0.062 1.00 0.00 C ATOM 1182 C MET A 81 67.029 -3.157 1.571 1.00 0.00 C ATOM 1183 O MET A 81 67.197 -4.118 2.296 1.00 0.00 O ATOM 1184 CB MET A 81 68.175 -2.127 -0.418 1.00 0.00 C ATOM 1185 CG MET A 81 69.003 -2.617 -1.608 1.00 0.00 C ATOM 1186 SD MET A 81 68.039 -2.433 -3.129 1.00 0.00 S ATOM 1187 CE MET A 81 68.539 -3.990 -3.904 1.00 0.00 C ATOM 0 H MET A 81 65.941 -2.207 -1.257 1.00 0.00 H new ATOM 0 HA MET A 81 67.683 -4.235 -0.134 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.584 -1.258 -0.706 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.833 -1.811 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 81 69.929 -2.046 -1.680 1.00 0.00 H new ATOM 0 HG3 MET A 81 69.282 -3.661 -1.466 1.00 0.00 H new ATOM 0 HE1 MET A 81 67.657 -4.512 -4.274 1.00 0.00 H new ATOM 0 HE2 MET A 81 69.213 -3.783 -4.735 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.049 -4.614 -3.170 1.00 0.00 H new ATOM 1197 N MET A 82 66.644 -2.007 2.052 1.00 0.00 N ATOM 1198 CA MET A 82 66.401 -1.856 3.515 1.00 0.00 C ATOM 1199 C MET A 82 65.480 -2.972 4.013 1.00 0.00 C ATOM 1200 O MET A 82 65.563 -3.401 5.147 1.00 0.00 O ATOM 1201 CB MET A 82 65.724 -0.491 3.675 1.00 0.00 C ATOM 1202 CG MET A 82 64.687 -0.293 2.566 1.00 0.00 C ATOM 1203 SD MET A 82 63.158 0.363 3.280 1.00 0.00 S ATOM 1204 CE MET A 82 63.887 1.802 4.097 1.00 0.00 C ATOM 0 H MET A 82 66.487 -1.166 1.496 1.00 0.00 H new ATOM 0 HA MET A 82 67.323 -1.919 4.093 1.00 0.00 H new ATOM 0 HB2 MET A 82 65.243 -0.426 4.651 1.00 0.00 H new ATOM 0 HB3 MET A 82 66.470 0.302 3.634 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.072 0.393 1.811 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.490 -1.240 2.065 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.751 1.716 5.175 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.952 1.850 3.868 1.00 0.00 H new ATOM 0 HE3 MET A 82 63.398 2.709 3.741 1.00 0.00 H new ATOM 1214 N VAL A 83 64.601 -3.445 3.172 1.00 0.00 N ATOM 1215 CA VAL A 83 63.672 -4.533 3.594 1.00 0.00 C ATOM 1216 C VAL A 83 64.350 -5.897 3.443 1.00 0.00 C ATOM 1217 O VAL A 83 64.474 -6.647 4.391 1.00 0.00 O ATOM 1218 CB VAL A 83 62.479 -4.417 2.647 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.525 -5.589 2.879 1.00 0.00 C ATOM 1220 CG2 VAL A 83 61.745 -3.102 2.917 1.00 0.00 C ATOM 0 H VAL A 83 64.486 -3.125 2.210 1.00 0.00 H new ATOM 0 HA VAL A 83 63.375 -4.444 4.639 1.00 0.00 H new ATOM 0 HB VAL A 83 62.830 -4.435 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.674 -5.505 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.048 -6.527 2.690 1.00 0.00 H new ATOM 0 HG13 VAL A 83 61.172 -5.572 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 83 60.893 -3.016 2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.394 -3.086 3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 83 62.424 -2.266 2.752 1.00 0.00 H new ATOM 1230 N ARG A 84 64.785 -6.226 2.257 1.00 0.00 N ATOM 1231 CA ARG A 84 65.452 -7.544 2.048 1.00 0.00 C ATOM 1232 C ARG A 84 66.416 -7.836 3.201 1.00 0.00 C ATOM 1233 O ARG A 84 66.621 -8.972 3.579 1.00 0.00 O ATOM 1234 CB ARG A 84 66.211 -7.398 0.729 1.00 0.00 C ATOM 1235 CG ARG A 84 65.214 -7.319 -0.428 1.00 0.00 C ATOM 1236 CD ARG A 84 64.855 -8.732 -0.893 1.00 0.00 C ATOM 1237 NE ARG A 84 63.372 -8.730 -1.018 1.00 0.00 N ATOM 1238 CZ ARG A 84 62.695 -9.815 -0.763 1.00 0.00 C ATOM 1239 NH1 ARG A 84 62.560 -10.225 0.468 1.00 0.00 N ATOM 1240 NH2 ARG A 84 62.152 -10.491 -1.739 1.00 0.00 N ATOM 0 H ARG A 84 64.708 -5.641 1.425 1.00 0.00 H new ATOM 0 HA ARG A 84 64.741 -8.369 2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.830 -6.501 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.882 -8.245 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 84 64.315 -6.790 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.644 -6.752 -1.254 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.331 -8.967 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 84 65.190 -9.481 -0.175 1.00 0.00 H new ATOM 0 HE ARG A 84 62.885 -7.880 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 84 62.984 -9.697 1.231 1.00 0.00 H new ATOM 0 HH12 ARG A 84 62.031 -11.074 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 84 62.257 -10.171 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 84 61.623 -11.340 -1.539 1.00 0.00 H new ATOM 1254 N GLN A 85 67.005 -6.818 3.767 1.00 0.00 N ATOM 1255 CA GLN A 85 67.948 -7.040 4.899 1.00 0.00 C ATOM 1256 C GLN A 85 67.166 -7.216 6.201 1.00 0.00 C ATOM 1257 O GLN A 85 67.249 -8.237 6.855 1.00 0.00 O ATOM 1258 CB GLN A 85 68.804 -5.774 4.959 1.00 0.00 C ATOM 1259 CG GLN A 85 69.996 -6.010 5.887 1.00 0.00 C ATOM 1260 CD GLN A 85 70.791 -7.222 5.399 1.00 0.00 C ATOM 1261 OE1 GLN A 85 71.107 -8.107 6.169 1.00 0.00 O ATOM 1262 NE2 GLN A 85 71.130 -7.301 4.141 1.00 0.00 N ATOM 0 H GLN A 85 66.874 -5.844 3.495 1.00 0.00 H new ATOM 0 HA GLN A 85 68.555 -7.935 4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 85 69.153 -5.510 3.961 1.00 0.00 H new ATOM 0 HB3 GLN A 85 68.208 -4.936 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.635 -5.127 5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.649 -6.176 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.865 -6.558 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.660 -8.105 3.805 1.00 0.00 H new ATOM 1271 N MET A 86 66.402 -6.229 6.578 1.00 0.00 N ATOM 1272 CA MET A 86 65.609 -6.337 7.835 1.00 0.00 C ATOM 1273 C MET A 86 64.668 -7.541 7.760 1.00 0.00 C ATOM 1274 O MET A 86 64.177 -8.022 8.761 1.00 0.00 O ATOM 1275 CB MET A 86 64.810 -5.035 7.911 1.00 0.00 C ATOM 1276 CG MET A 86 65.187 -4.281 9.186 1.00 0.00 C ATOM 1277 SD MET A 86 63.853 -3.139 9.627 1.00 0.00 S ATOM 1278 CE MET A 86 62.651 -4.385 10.152 1.00 0.00 C ATOM 0 H MET A 86 66.292 -5.351 6.070 1.00 0.00 H new ATOM 0 HA MET A 86 66.239 -6.479 8.713 1.00 0.00 H new ATOM 0 HB2 MET A 86 65.015 -4.418 7.036 1.00 0.00 H new ATOM 0 HB3 MET A 86 63.742 -5.250 7.905 1.00 0.00 H new ATOM 0 HG2 MET A 86 65.362 -4.985 10.000 1.00 0.00 H new ATOM 0 HG3 MET A 86 66.116 -3.731 9.035 1.00 0.00 H new ATOM 0 HE1 MET A 86 62.112 -4.024 11.028 1.00 0.00 H new ATOM 0 HE2 MET A 86 61.945 -4.573 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 86 63.171 -5.310 10.401 1.00 0.00 H new ATOM 1288 N LYS A 87 64.416 -8.035 6.578 1.00 0.00 N ATOM 1289 CA LYS A 87 63.510 -9.209 6.441 1.00 0.00 C ATOM 1290 C LYS A 87 63.928 -10.305 7.422 1.00 0.00 C ATOM 1291 O LYS A 87 63.112 -11.065 7.906 1.00 0.00 O ATOM 1292 CB LYS A 87 63.688 -9.683 4.998 1.00 0.00 C ATOM 1293 CG LYS A 87 62.664 -8.984 4.101 1.00 0.00 C ATOM 1294 CD LYS A 87 61.683 -10.018 3.546 1.00 0.00 C ATOM 1295 CE LYS A 87 60.446 -10.081 4.445 1.00 0.00 C ATOM 1296 NZ LYS A 87 59.308 -10.325 3.514 1.00 0.00 N ATOM 0 H LYS A 87 64.798 -7.676 5.703 1.00 0.00 H new ATOM 0 HA LYS A 87 62.471 -8.961 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.699 -9.463 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.560 -10.764 4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.126 -8.224 4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.171 -8.472 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 87 61.394 -9.752 2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 87 62.160 -10.997 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 87 60.533 -10.880 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 87 60.312 -9.151 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 58.422 -10.381 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 59.246 -9.545 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 59.460 -11.220 3.006 1.00 0.00 H new ATOM 1310 N GLU A 88 65.194 -10.388 7.720 1.00 0.00 N ATOM 1311 CA GLU A 88 65.672 -11.429 8.673 1.00 0.00 C ATOM 1312 C GLU A 88 65.427 -10.974 10.113 1.00 0.00 C ATOM 1313 O GLU A 88 65.153 -11.770 10.990 1.00 0.00 O ATOM 1314 CB GLU A 88 67.169 -11.557 8.399 1.00 0.00 C ATOM 1315 CG GLU A 88 67.590 -13.023 8.526 1.00 0.00 C ATOM 1316 CD GLU A 88 68.984 -13.209 7.926 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.942 -12.809 8.568 1.00 0.00 O ATOM 1318 OE2 GLU A 88 69.072 -13.748 6.835 1.00 0.00 O ATOM 0 H GLU A 88 65.920 -9.779 7.344 1.00 0.00 H new ATOM 0 HA GLU A 88 65.152 -12.379 8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.399 -11.187 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.732 -10.944 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.591 -13.322 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 88 66.873 -13.664 8.012 1.00 0.00 H new ATOM 1325 N ASP A 89 65.524 -9.697 10.364 1.00 0.00 N ATOM 1326 CA ASP A 89 65.298 -9.188 11.748 1.00 0.00 C ATOM 1327 C ASP A 89 63.818 -8.854 11.952 1.00 0.00 C ATOM 1328 O ASP A 89 63.308 -8.903 13.053 1.00 0.00 O ATOM 1329 CB ASP A 89 66.153 -7.924 11.849 1.00 0.00 C ATOM 1330 CG ASP A 89 66.189 -7.448 13.302 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.038 -7.922 14.040 1.00 0.00 O ATOM 1332 OD2 ASP A 89 65.368 -6.617 13.654 1.00 0.00 O ATOM 0 H ASP A 89 65.750 -8.984 9.671 1.00 0.00 H new ATOM 0 HA ASP A 89 65.565 -9.922 12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.164 -8.127 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 89 65.743 -7.143 11.209 1.00 0.00 H new ATOM 1337 N ALA A 90 63.126 -8.515 10.899 1.00 0.00 N ATOM 1338 CA ALA A 90 61.679 -8.178 11.036 1.00 0.00 C ATOM 1339 C ALA A 90 60.880 -9.426 11.420 1.00 0.00 C ATOM 1340 O ALA A 90 61.280 -10.508 11.023 1.00 0.00 O ATOM 1341 CB ALA A 90 61.257 -7.674 9.655 1.00 0.00 C ATOM 1342 OXT ALA A 90 59.882 -9.278 12.106 1.00 0.00 O ATOM 0 H ALA A 90 63.498 -8.457 9.951 1.00 0.00 H new ATOM 0 HA ALA A 90 61.499 -7.435 11.813 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.201 -7.405 9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.850 -6.799 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.419 -8.459 8.916 1.00 0.00 H new