USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 67 MET CE :methyl -134:sc= 0 (180deg=-1.05) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Set 2.1: A 18 THR OG1 : rot -31:sc= 1.69 USER MOD Set 2.2: A 21 THR OG1 : rot 141:sc= 2.58 USER MOD Single : A 0 GLY N :NH3+ 176:sc= 1.09 (180deg=0.901) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0566 (180deg=-0.442) USER MOD Single : A 6 TYR OH : rot -102:sc= 0.272 USER MOD Single : A 8 CYS SG : rot 136:sc= -3.52! USER MOD Single : A 17 THR OG1 : rot -150:sc= 0.0469 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0315 F(o=-1.2!,f=-0.031) USER MOD Single : A 27 SER OG : rot -169:sc= -0.424 USER MOD Single : A 28 GLN : amide:sc= -0.656 K(o=-0.66,f=-4.9!) USER MOD Single : A 35 SER OG : rot 116:sc= 1.21 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= 2.22 (180deg=1.72) USER MOD Single : A 39 ASN : amide:sc= -0.0829 X(o=-0.083,f=-0.26) USER MOD Single : A 43 THR OG1 : rot -72:sc= -1.3! USER MOD Single : A 46 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 53 THR OG1 : rot 83:sc= -0.459 USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= -0.792! (180deg=-1.87!) USER MOD Single : A 58 LYS NZ :NH3+ 149:sc= -0.629! (180deg=-1.77!) USER MOD Single : A 60 MET CE :methyl -123:sc= -3.44! (180deg=-4.09!) USER MOD Single : A 68 ASN : amide:sc= -0.122 K(o=-0.12,f=-7.5!) USER MOD Single : A 76 ASN : amide:sc= 0.828 K(o=0.83,f=-0.0046) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.586 K(o=-0.59,f=-1.5!) USER MOD Single : A 83 GLN : amide:sc= 0.528 K(o=0.53,f=-8.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 21.158 6.394 -1.330 1.00 0.00 N ATOM 2 CA GLY A 0 21.065 5.272 -0.408 1.00 0.00 C ATOM 3 C GLY A 0 19.868 4.440 -0.736 1.00 0.00 C ATOM 4 O GLY A 0 19.853 3.781 -1.770 1.00 0.00 O ATOM 0 H1 GLY A 0 21.953 7.005 -1.054 1.00 0.00 H new ATOM 0 H2 GLY A 0 21.313 6.038 -2.295 1.00 0.00 H new ATOM 0 H3 GLY A 0 20.274 6.941 -1.301 1.00 0.00 H new ATOM 0 HA2 GLY A 0 21.968 4.665 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 0 20.995 5.637 0.617 1.00 0.00 H new ATOM 10 N MET A 1 18.850 4.515 0.091 1.00 0.00 N ATOM 11 CA MET A 1 17.642 3.716 -0.084 1.00 0.00 C ATOM 12 C MET A 1 16.522 4.165 0.851 1.00 0.00 C ATOM 13 O MET A 1 15.466 3.536 0.869 1.00 0.00 O ATOM 14 CB MET A 1 17.904 2.195 0.157 1.00 0.00 C ATOM 15 CG MET A 1 18.347 1.813 1.587 1.00 0.00 C ATOM 16 SD MET A 1 20.055 2.282 1.987 1.00 0.00 S ATOM 17 CE MET A 1 20.977 1.202 0.888 1.00 0.00 C ATOM 0 H MET A 1 18.829 5.129 0.905 1.00 0.00 H new ATOM 0 HA MET A 1 17.336 3.870 -1.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.993 1.645 -0.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.670 1.861 -0.543 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.675 2.287 2.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.239 0.736 1.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.010 1.133 1.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.527 0.209 0.891 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.955 1.607 -0.124 1.00 0.00 H new ATOM 27 N ALA A 2 16.730 5.239 1.608 1.00 0.00 N ATOM 28 CA ALA A 2 15.744 5.648 2.605 1.00 0.00 C ATOM 29 C ALA A 2 15.779 7.156 2.836 1.00 0.00 C ATOM 30 O ALA A 2 15.421 7.636 3.911 1.00 0.00 O ATOM 31 CB ALA A 2 16.026 4.917 3.915 1.00 0.00 C ATOM 0 H ALA A 2 17.557 5.833 1.553 1.00 0.00 H new ATOM 0 HA ALA A 2 14.751 5.390 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.294 5.217 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.959 3.841 3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.027 5.170 4.264 1.00 0.00 H new ATOM 37 N GLU A 3 16.140 7.908 1.811 1.00 0.00 N ATOM 38 CA GLU A 3 16.275 9.358 1.947 1.00 0.00 C ATOM 39 C GLU A 3 14.963 10.054 1.598 1.00 0.00 C ATOM 40 O GLU A 3 14.884 11.282 1.525 1.00 0.00 O ATOM 41 CB GLU A 3 17.411 9.922 1.063 1.00 0.00 C ATOM 42 CG GLU A 3 18.800 9.301 1.268 1.00 0.00 C ATOM 43 CD GLU A 3 18.955 7.940 0.622 1.00 0.00 C ATOM 44 OE1 GLU A 3 19.199 7.878 -0.598 1.00 0.00 O ATOM 45 OE2 GLU A 3 18.874 6.904 1.310 1.00 0.00 O1- ATOM 0 H GLU A 3 16.345 7.547 0.879 1.00 0.00 H new ATOM 0 HA GLU A 3 16.528 9.557 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 3 17.129 9.793 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 3 17.485 10.994 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.554 9.975 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 3 18.995 9.211 2.337 1.00 0.00 H new ATOM 52 N VAL A 4 13.950 9.264 1.411 1.00 0.00 N ATOM 53 CA VAL A 4 12.654 9.728 1.023 1.00 0.00 C ATOM 54 C VAL A 4 11.682 8.583 1.266 1.00 0.00 C ATOM 55 O VAL A 4 12.123 7.443 1.440 1.00 0.00 O ATOM 56 CB VAL A 4 12.656 10.148 -0.493 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.863 8.957 -1.430 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.417 10.956 -0.874 1.00 0.00 C ATOM 0 H VAL A 4 14.004 8.252 1.527 1.00 0.00 H new ATOM 0 HA VAL A 4 12.363 10.606 1.600 1.00 0.00 H new ATOM 0 HB VAL A 4 13.516 10.805 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.856 9.302 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.821 8.484 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.060 8.235 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.466 11.221 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.523 10.360 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.376 11.864 -0.273 1.00 0.00 H new ATOM 68 N GLU A 5 10.403 8.870 1.324 1.00 0.00 N ATOM 69 CA GLU A 5 9.426 7.832 1.489 1.00 0.00 C ATOM 70 C GLU A 5 9.158 7.186 0.145 1.00 0.00 C ATOM 71 O GLU A 5 9.335 7.824 -0.906 1.00 0.00 O ATOM 72 CB GLU A 5 8.099 8.371 2.052 1.00 0.00 C ATOM 73 CG GLU A 5 7.414 9.430 1.184 1.00 0.00 C ATOM 74 CD GLU A 5 5.915 9.498 1.423 1.00 0.00 C ATOM 75 OE1 GLU A 5 5.468 10.088 2.418 1.00 0.00 O ATOM 76 OE2 GLU A 5 5.159 8.939 0.611 1.00 0.00 O1- ATOM 0 H GLU A 5 10.020 9.813 1.259 1.00 0.00 H new ATOM 0 HA GLU A 5 9.826 7.109 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.413 7.535 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.285 8.796 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.856 10.405 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.601 9.210 0.133 1.00 0.00 H new ATOM 83 N TYR A 6 8.780 5.941 0.170 1.00 0.00 N ATOM 84 CA TYR A 6 8.363 5.269 -1.011 1.00 0.00 C ATOM 85 C TYR A 6 6.923 4.844 -0.936 1.00 0.00 C ATOM 86 O TYR A 6 6.564 3.825 -0.320 1.00 0.00 O ATOM 87 CB TYR A 6 9.330 4.172 -1.484 1.00 0.00 C ATOM 88 CG TYR A 6 10.424 4.767 -2.337 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.084 5.392 -3.513 1.00 0.00 C ATOM 90 CD2 TYR A 6 11.764 4.754 -1.972 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.013 5.989 -4.311 1.00 0.00 C ATOM 92 CE2 TYR A 6 12.710 5.351 -2.775 1.00 0.00 C ATOM 93 CZ TYR A 6 12.323 5.972 -3.940 1.00 0.00 C ATOM 94 OH TYR A 6 13.262 6.523 -4.757 1.00 0.00 O ATOM 0 H TYR A 6 8.755 5.369 1.014 1.00 0.00 H new ATOM 0 HA TYR A 6 8.413 6.004 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.766 3.667 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.785 3.419 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.047 5.410 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.066 4.273 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.713 6.471 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 6 13.752 5.332 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 6 13.730 5.812 -5.244 1.00 0.00 H new ATOM 104 N ARG A 7 6.111 5.653 -1.557 1.00 0.00 N ATOM 105 CA ARG A 7 4.684 5.528 -1.575 1.00 0.00 C ATOM 106 C ARG A 7 4.305 4.564 -2.704 1.00 0.00 C ATOM 107 O ARG A 7 4.659 4.775 -3.855 1.00 0.00 O ATOM 108 CB ARG A 7 4.089 6.932 -1.834 1.00 0.00 C ATOM 109 CG ARG A 7 2.579 7.073 -1.668 1.00 0.00 C ATOM 110 CD ARG A 7 2.133 6.963 -0.206 1.00 0.00 C ATOM 111 NE ARG A 7 2.709 8.009 0.670 1.00 0.00 N ATOM 112 CZ ARG A 7 2.193 8.415 1.848 1.00 0.00 C ATOM 113 NH1 ARG A 7 1.030 7.914 2.281 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 2.871 9.268 2.611 1.00 0.00 N ATOM 0 H ARG A 7 6.445 6.456 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 7 4.299 5.141 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.574 7.638 -1.159 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.350 7.231 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.262 8.036 -2.069 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.079 6.303 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.046 7.022 -0.161 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.415 5.983 0.178 1.00 0.00 H new ATOM 0 HE ARG A 7 3.568 8.460 0.356 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.532 7.223 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.642 8.223 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.780 9.614 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.482 9.576 3.502 1.00 0.00 H new ATOM 128 N CYS A 8 3.655 3.494 -2.350 1.00 0.00 N ATOM 129 CA CYS A 8 3.233 2.471 -3.283 1.00 0.00 C ATOM 130 C CYS A 8 1.723 2.498 -3.403 1.00 0.00 C ATOM 131 O CYS A 8 1.027 2.810 -2.424 1.00 0.00 O ATOM 132 CB CYS A 8 3.674 1.117 -2.762 1.00 0.00 C ATOM 133 SG CYS A 8 5.410 1.071 -2.319 1.00 0.00 S ATOM 0 H CYS A 8 3.394 3.297 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 8 3.679 2.652 -4.261 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.075 0.856 -1.890 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.478 0.360 -3.521 1.00 0.00 H new ATOM 0 HG CYS A 8 5.552 0.456 -1.183 1.00 0.00 H new ATOM 139 N PHE A 9 1.226 2.180 -4.566 1.00 0.00 N ATOM 140 CA PHE A 9 -0.191 2.193 -4.838 1.00 0.00 C ATOM 141 C PHE A 9 -0.721 0.780 -4.801 1.00 0.00 C ATOM 142 O PHE A 9 -0.192 -0.112 -5.477 1.00 0.00 O ATOM 143 CB PHE A 9 -0.447 2.838 -6.217 1.00 0.00 C ATOM 144 CG PHE A 9 -1.869 2.818 -6.698 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.811 3.666 -6.156 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.250 1.966 -7.718 1.00 0.00 C ATOM 147 CE1 PHE A 9 -4.106 3.661 -6.618 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.547 1.953 -8.185 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.478 2.803 -7.633 1.00 0.00 C ATOM 0 H PHE A 9 1.797 1.901 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.709 2.780 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.111 3.874 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.173 2.329 -6.955 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.529 4.341 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.521 1.301 -8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.834 4.331 -6.185 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.831 1.279 -8.980 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.496 2.799 -7.993 1.00 0.00 H new ATOM 159 N VAL A 10 -1.714 0.548 -3.988 1.00 0.00 N ATOM 160 CA VAL A 10 -2.320 -0.747 -3.938 1.00 0.00 C ATOM 161 C VAL A 10 -3.802 -0.587 -4.183 1.00 0.00 C ATOM 162 O VAL A 10 -4.514 -0.024 -3.368 1.00 0.00 O ATOM 163 CB VAL A 10 -2.093 -1.450 -2.560 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.679 -2.857 -2.561 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.615 -1.500 -2.204 1.00 0.00 C ATOM 0 H VAL A 10 -2.117 1.238 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.860 -1.374 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.609 -0.859 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.507 -3.323 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.751 -2.805 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.199 -3.451 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.489 -1.994 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.075 -2.056 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.220 -0.486 -2.145 1.00 0.00 H new ATOM 175 N GLY A 11 -4.246 -1.081 -5.295 1.00 0.00 N ATOM 176 CA GLY A 11 -5.617 -1.047 -5.644 1.00 0.00 C ATOM 177 C GLY A 11 -6.223 -2.411 -5.611 1.00 0.00 C ATOM 178 O GLY A 11 -5.511 -3.413 -5.546 1.00 0.00 O ATOM 0 H GLY A 11 -3.650 -1.525 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.153 -0.393 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.729 -0.622 -6.641 1.00 0.00 H new ATOM 182 N GLY A 12 -7.521 -2.452 -5.629 1.00 0.00 N ATOM 183 CA GLY A 12 -8.226 -3.693 -5.598 1.00 0.00 C ATOM 184 C GLY A 12 -8.638 -4.037 -4.196 1.00 0.00 C ATOM 185 O GLY A 12 -9.195 -5.086 -3.963 1.00 0.00 O ATOM 0 H GLY A 12 -8.119 -1.626 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.107 -3.632 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.595 -4.485 -6.001 1.00 0.00 H new ATOM 189 N LEU A 13 -8.414 -3.101 -3.279 1.00 0.00 N ATOM 190 CA LEU A 13 -8.664 -3.296 -1.850 1.00 0.00 C ATOM 191 C LEU A 13 -10.152 -3.440 -1.531 1.00 0.00 C ATOM 192 O LEU A 13 -11.026 -3.179 -2.373 1.00 0.00 O ATOM 193 CB LEU A 13 -8.076 -2.139 -1.026 1.00 0.00 C ATOM 194 CG LEU A 13 -6.560 -1.919 -1.118 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.145 -0.781 -0.228 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.808 -3.161 -0.725 1.00 0.00 C ATOM 0 H LEU A 13 -8.050 -2.176 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.169 -4.228 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.571 -1.218 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.332 -2.304 0.021 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.320 -1.679 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.067 -0.635 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.657 0.130 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.410 -1.011 0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.736 -2.976 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.060 -3.429 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.082 -3.979 -1.391 1.00 0.00 H new ATOM 208 N ALA A 14 -10.432 -3.843 -0.315 1.00 0.00 N ATOM 209 CA ALA A 14 -11.775 -4.033 0.139 1.00 0.00 C ATOM 210 C ALA A 14 -12.151 -2.906 1.080 1.00 0.00 C ATOM 211 O ALA A 14 -11.316 -2.087 1.431 1.00 0.00 O ATOM 212 CB ALA A 14 -11.894 -5.380 0.846 1.00 0.00 C ATOM 0 H ALA A 14 -9.722 -4.048 0.388 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.456 -4.026 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.919 -5.521 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.631 -6.179 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.218 -5.403 1.700 1.00 0.00 H new ATOM 218 N TRP A 15 -13.409 -2.861 1.473 1.00 0.00 N ATOM 219 CA TRP A 15 -13.876 -1.862 2.431 1.00 0.00 C ATOM 220 C TRP A 15 -13.451 -2.316 3.828 1.00 0.00 C ATOM 221 O TRP A 15 -13.249 -1.523 4.717 1.00 0.00 O ATOM 222 CB TRP A 15 -15.411 -1.724 2.317 1.00 0.00 C ATOM 223 CG TRP A 15 -15.992 -0.452 2.902 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.360 0.673 2.214 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.274 -0.183 4.274 1.00 0.00 C ATOM 226 NE1 TRP A 15 -16.859 1.618 3.089 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.814 1.111 4.355 1.00 0.00 C ATOM 228 CE3 TRP A 15 -16.118 -0.917 5.432 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -17.204 1.680 5.563 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -16.499 -0.361 6.637 1.00 0.00 C ATOM 231 CH2 TRP A 15 -17.040 0.929 6.694 1.00 0.00 C ATOM 0 H TRP A 15 -14.131 -3.503 1.147 1.00 0.00 H new ATOM 0 HA TRP A 15 -13.442 -0.883 2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.687 -1.779 1.264 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -15.874 -2.577 2.813 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.273 0.802 1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.204 2.543 2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.703 -1.914 5.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.620 2.676 5.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -16.378 -0.929 7.548 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -17.333 1.339 7.649 1.00 0.00 H new ATOM 242 N ALA A 16 -13.250 -3.620 3.968 1.00 0.00 N ATOM 243 CA ALA A 16 -12.853 -4.214 5.236 1.00 0.00 C ATOM 244 C ALA A 16 -11.356 -4.050 5.477 1.00 0.00 C ATOM 245 O ALA A 16 -10.888 -4.199 6.600 1.00 0.00 O ATOM 246 CB ALA A 16 -13.239 -5.686 5.268 1.00 0.00 C ATOM 0 H ALA A 16 -13.357 -4.292 3.209 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.379 -3.692 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.937 -6.121 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.318 -5.782 5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.738 -6.211 4.455 1.00 0.00 H new ATOM 252 N THR A 17 -10.625 -3.731 4.421 1.00 0.00 N ATOM 253 CA THR A 17 -9.208 -3.545 4.504 1.00 0.00 C ATOM 254 C THR A 17 -8.921 -2.259 5.274 1.00 0.00 C ATOM 255 O THR A 17 -9.349 -1.176 4.871 1.00 0.00 O ATOM 256 CB THR A 17 -8.605 -3.444 3.084 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.022 -4.588 2.304 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.081 -3.407 3.138 1.00 0.00 C ATOM 0 H THR A 17 -11.010 -3.596 3.486 1.00 0.00 H new ATOM 0 HA THR A 17 -8.759 -4.394 5.019 1.00 0.00 H new ATOM 0 HB THR A 17 -8.960 -2.522 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.332 -4.801 1.641 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.683 -3.336 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.758 -2.541 3.717 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.711 -4.317 3.610 1.00 0.00 H new ATOM 266 N THR A 18 -8.240 -2.377 6.377 1.00 0.00 N ATOM 267 CA THR A 18 -7.917 -1.228 7.164 1.00 0.00 C ATOM 268 C THR A 18 -6.532 -0.756 6.781 1.00 0.00 C ATOM 269 O THR A 18 -5.758 -1.509 6.169 1.00 0.00 O ATOM 270 CB THR A 18 -7.959 -1.536 8.680 1.00 0.00 C ATOM 271 OG1 THR A 18 -7.003 -2.559 9.007 1.00 0.00 O ATOM 272 CG2 THR A 18 -9.350 -1.986 9.106 1.00 0.00 C ATOM 0 H THR A 18 -7.898 -3.262 6.751 1.00 0.00 H new ATOM 0 HA THR A 18 -8.659 -0.454 6.967 1.00 0.00 H new ATOM 0 HB THR A 18 -7.708 -0.620 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.904 -3.170 8.247 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.353 -2.196 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.070 -1.197 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.624 -2.888 8.558 1.00 0.00 H new ATOM 280 N ASP A 19 -6.189 0.460 7.130 1.00 0.00 N ATOM 281 CA ASP A 19 -4.873 0.961 6.813 1.00 0.00 C ATOM 282 C ASP A 19 -3.857 0.317 7.737 1.00 0.00 C ATOM 283 O ASP A 19 -2.674 0.219 7.415 1.00 0.00 O ATOM 284 CB ASP A 19 -4.811 2.501 6.834 1.00 0.00 C ATOM 285 CG ASP A 19 -5.012 3.135 8.191 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.896 2.664 8.930 1.00 0.00 O ATOM 287 OD2 ASP A 19 -4.320 4.162 8.484 1.00 0.00 O1- ATOM 0 H ASP A 19 -6.793 1.114 7.627 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.628 0.684 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.843 2.815 6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.570 2.888 6.154 1.00 0.00 H new ATOM 292 N GLN A 20 -4.351 -0.179 8.865 1.00 0.00 N ATOM 293 CA GLN A 20 -3.548 -0.933 9.802 1.00 0.00 C ATOM 294 C GLN A 20 -3.169 -2.288 9.200 1.00 0.00 C ATOM 295 O GLN A 20 -1.998 -2.636 9.156 1.00 0.00 O ATOM 296 CB GLN A 20 -4.294 -1.166 11.115 1.00 0.00 C ATOM 297 CG GLN A 20 -4.764 0.097 11.816 1.00 0.00 C ATOM 298 CD GLN A 20 -5.393 -0.186 13.175 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.910 -1.204 13.859 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 -6.281 0.513 13.619 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.324 -0.066 9.151 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.650 -0.350 10.007 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.160 -1.798 10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.644 -1.720 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.918 0.773 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.489 0.610 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.637 1.295 13.070 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.670 0.318 14.541 1.00 0.00 H new ATOM 309 N THR A 21 -4.167 -3.040 8.713 1.00 0.00 N ATOM 310 CA THR A 21 -3.913 -4.358 8.128 1.00 0.00 C ATOM 311 C THR A 21 -3.071 -4.242 6.862 1.00 0.00 C ATOM 312 O THR A 21 -2.214 -5.086 6.590 1.00 0.00 O ATOM 313 CB THR A 21 -5.228 -5.161 7.874 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.185 -4.362 7.149 1.00 0.00 O ATOM 315 CG2 THR A 21 -5.839 -5.614 9.194 1.00 0.00 C ATOM 0 H THR A 21 -5.147 -2.759 8.714 1.00 0.00 H new ATOM 0 HA THR A 21 -3.341 -4.928 8.860 1.00 0.00 H new ATOM 0 HB THR A 21 -4.975 -6.037 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.652 -4.924 6.496 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.755 -6.172 8.999 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.131 -6.252 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.069 -4.742 9.807 1.00 0.00 H new ATOM 323 N LEU A 22 -3.293 -3.161 6.123 1.00 0.00 N ATOM 324 CA LEU A 22 -2.515 -2.851 4.940 1.00 0.00 C ATOM 325 C LEU A 22 -1.043 -2.627 5.321 1.00 0.00 C ATOM 326 O LEU A 22 -0.139 -3.117 4.656 1.00 0.00 O ATOM 327 CB LEU A 22 -3.081 -1.596 4.259 1.00 0.00 C ATOM 328 CG LEU A 22 -2.425 -1.177 2.942 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.672 -2.210 1.853 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.914 0.194 2.508 1.00 0.00 C ATOM 0 H LEU A 22 -4.020 -2.477 6.332 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.574 -3.689 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.143 -1.758 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.003 -0.764 4.959 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.349 -1.118 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.194 -1.886 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.255 -3.169 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.744 -2.317 1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.434 0.471 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.995 0.168 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.664 0.929 3.274 1.00 0.00 H new ATOM 342 N GLY A 23 -0.826 -1.905 6.409 1.00 0.00 N ATOM 343 CA GLY A 23 0.517 -1.626 6.869 1.00 0.00 C ATOM 344 C GLY A 23 1.222 -2.863 7.379 1.00 0.00 C ATOM 345 O GLY A 23 2.313 -3.180 6.924 1.00 0.00 O ATOM 0 H GLY A 23 -1.565 -1.504 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.095 -1.193 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.478 -0.880 7.663 1.00 0.00 H new ATOM 349 N GLU A 24 0.559 -3.586 8.267 1.00 0.00 N ATOM 350 CA GLU A 24 1.112 -4.787 8.910 1.00 0.00 C ATOM 351 C GLU A 24 1.442 -5.903 7.937 1.00 0.00 C ATOM 352 O GLU A 24 2.290 -6.745 8.204 1.00 0.00 O ATOM 353 CB GLU A 24 0.231 -5.261 10.059 1.00 0.00 C ATOM 354 CG GLU A 24 0.261 -4.310 11.247 1.00 0.00 C ATOM 355 CD GLU A 24 1.642 -4.234 11.894 1.00 0.00 C ATOM 356 OE1 GLU A 24 2.597 -3.716 11.248 1.00 0.00 O ATOM 357 OE2 GLU A 24 1.773 -4.677 13.046 1.00 0.00 O1- ATOM 0 H GLU A 24 -0.388 -3.361 8.571 1.00 0.00 H new ATOM 0 HA GLU A 24 2.071 -4.488 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.795 -5.365 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.559 -6.249 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.040 -3.315 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.468 -4.636 11.989 1.00 0.00 H new ATOM 364 N ALA A 25 0.747 -5.944 6.832 1.00 0.00 N ATOM 365 CA ALA A 25 1.062 -6.904 5.809 1.00 0.00 C ATOM 366 C ALA A 25 2.452 -6.608 5.226 1.00 0.00 C ATOM 367 O ALA A 25 3.285 -7.500 5.064 1.00 0.00 O ATOM 368 CB ALA A 25 0.013 -6.855 4.712 1.00 0.00 C ATOM 0 H ALA A 25 -0.037 -5.327 6.618 1.00 0.00 H new ATOM 0 HA ALA A 25 1.068 -7.903 6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.259 -7.585 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.965 -7.087 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.009 -5.857 4.273 1.00 0.00 H new ATOM 374 N PHE A 26 2.700 -5.349 4.966 1.00 0.00 N ATOM 375 CA PHE A 26 3.915 -4.927 4.317 1.00 0.00 C ATOM 376 C PHE A 26 5.072 -4.624 5.267 1.00 0.00 C ATOM 377 O PHE A 26 6.213 -4.455 4.809 1.00 0.00 O ATOM 378 CB PHE A 26 3.663 -3.763 3.384 1.00 0.00 C ATOM 379 CG PHE A 26 2.782 -4.108 2.208 1.00 0.00 C ATOM 380 CD1 PHE A 26 3.310 -4.735 1.098 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.433 -3.807 2.216 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.513 -5.054 0.018 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.629 -4.125 1.141 1.00 0.00 C ATOM 384 CZ PHE A 26 1.170 -4.748 0.041 1.00 0.00 C ATOM 0 H PHE A 26 2.064 -4.587 5.199 1.00 0.00 H new ATOM 0 HA PHE A 26 4.238 -5.790 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.202 -2.951 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.619 -3.392 3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.362 -4.979 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.002 -3.316 3.076 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.941 -5.543 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.424 -3.885 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.544 -4.997 -0.803 1.00 0.00 H new ATOM 394 N SER A 27 4.809 -4.560 6.567 1.00 0.00 N ATOM 395 CA SER A 27 5.851 -4.247 7.546 1.00 0.00 C ATOM 396 C SER A 27 6.917 -5.354 7.635 1.00 0.00 C ATOM 397 O SER A 27 8.009 -5.145 8.166 1.00 0.00 O ATOM 398 CB SER A 27 5.232 -3.891 8.912 1.00 0.00 C ATOM 399 OG SER A 27 4.257 -4.832 9.289 1.00 0.00 O ATOM 0 H SER A 27 3.886 -4.720 6.970 1.00 0.00 H new ATOM 0 HA SER A 27 6.382 -3.361 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.015 -3.851 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.784 -2.899 8.864 1.00 0.00 H new ATOM 0 HG SER A 27 3.758 -4.494 10.061 1.00 0.00 H new ATOM 405 N GLN A 28 6.595 -6.508 7.062 1.00 0.00 N ATOM 406 CA GLN A 28 7.510 -7.626 6.972 1.00 0.00 C ATOM 407 C GLN A 28 8.571 -7.359 5.875 1.00 0.00 C ATOM 408 O GLN A 28 9.636 -7.972 5.858 1.00 0.00 O ATOM 409 CB GLN A 28 6.716 -8.911 6.660 1.00 0.00 C ATOM 410 CG GLN A 28 7.551 -10.189 6.558 1.00 0.00 C ATOM 411 CD GLN A 28 8.187 -10.638 7.877 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.494 -9.849 8.751 1.00 0.00 O ATOM 413 NE2 GLN A 28 8.397 -11.923 8.012 1.00 0.00 N ATOM 0 H GLN A 28 5.682 -6.690 6.645 1.00 0.00 H new ATOM 0 HA GLN A 28 8.028 -7.751 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.963 -9.050 7.436 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.183 -8.769 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.918 -10.993 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.340 -10.035 5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.131 -12.565 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.827 -12.283 8.864 1.00 0.00 H new ATOM 422 N PHE A 29 8.266 -6.443 4.961 1.00 0.00 N ATOM 423 CA PHE A 29 9.208 -6.100 3.904 1.00 0.00 C ATOM 424 C PHE A 29 10.085 -4.958 4.339 1.00 0.00 C ATOM 425 O PHE A 29 11.293 -4.969 4.110 1.00 0.00 O ATOM 426 CB PHE A 29 8.506 -5.720 2.593 1.00 0.00 C ATOM 427 CG PHE A 29 7.753 -6.831 1.937 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.423 -7.813 1.225 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.381 -6.885 2.011 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.730 -8.830 0.603 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.683 -7.895 1.395 1.00 0.00 C ATOM 432 CZ PHE A 29 6.356 -8.872 0.689 1.00 0.00 C ATOM 0 H PHE A 29 7.384 -5.931 4.931 1.00 0.00 H new ATOM 0 HA PHE A 29 9.809 -6.990 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.815 -4.901 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.253 -5.344 1.894 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.500 -7.781 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.846 -6.124 2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.262 -9.590 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.606 -7.925 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.807 -9.667 0.206 1.00 0.00 H new ATOM 442 N GLY A 30 9.481 -3.959 4.939 1.00 0.00 N ATOM 443 CA GLY A 30 10.242 -2.839 5.399 1.00 0.00 C ATOM 444 C GLY A 30 9.442 -1.959 6.294 1.00 0.00 C ATOM 445 O GLY A 30 8.253 -2.212 6.513 1.00 0.00 O ATOM 0 H GLY A 30 8.478 -3.905 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.125 -3.193 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.595 -2.263 4.544 1.00 0.00 H new ATOM 449 N GLU A 31 10.072 -0.919 6.791 1.00 0.00 N ATOM 450 CA GLU A 31 9.443 0.002 7.695 1.00 0.00 C ATOM 451 C GLU A 31 8.349 0.788 7.010 1.00 0.00 C ATOM 452 O GLU A 31 8.563 1.411 5.955 1.00 0.00 O ATOM 453 CB GLU A 31 10.469 0.933 8.301 1.00 0.00 C ATOM 454 CG GLU A 31 11.434 0.245 9.243 1.00 0.00 C ATOM 455 CD GLU A 31 12.503 1.177 9.722 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.210 2.055 10.526 1.00 0.00 O ATOM 457 OE2 GLU A 31 13.647 1.055 9.247 1.00 0.00 O1- ATOM 0 H GLU A 31 11.042 -0.691 6.574 1.00 0.00 H new ATOM 0 HA GLU A 31 8.982 -0.578 8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.034 1.408 7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.952 1.727 8.840 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.887 -0.151 10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.892 -0.605 8.737 1.00 0.00 H new ATOM 464 N ILE A 32 7.189 0.736 7.599 1.00 0.00 N ATOM 465 CA ILE A 32 6.030 1.418 7.108 1.00 0.00 C ATOM 466 C ILE A 32 5.957 2.775 7.769 1.00 0.00 C ATOM 467 O ILE A 32 5.930 2.871 8.990 1.00 0.00 O ATOM 468 CB ILE A 32 4.734 0.606 7.423 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.795 -0.789 6.784 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.477 1.346 6.974 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.943 -0.784 5.276 1.00 0.00 C ATOM 0 H ILE A 32 7.021 0.205 8.454 1.00 0.00 H new ATOM 0 HA ILE A 32 6.106 1.526 6.026 1.00 0.00 H new ATOM 0 HB ILE A 32 4.679 0.492 8.506 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.632 -1.337 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.888 -1.334 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.598 0.747 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.414 2.303 7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.520 1.517 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.978 -1.810 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.093 -0.268 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.865 -0.270 5.003 1.00 0.00 H new ATOM 483 N LEU A 33 5.968 3.808 6.971 1.00 0.00 N ATOM 484 CA LEU A 33 5.898 5.164 7.491 1.00 0.00 C ATOM 485 C LEU A 33 4.445 5.597 7.580 1.00 0.00 C ATOM 486 O LEU A 33 4.074 6.410 8.420 1.00 0.00 O ATOM 487 CB LEU A 33 6.678 6.135 6.594 1.00 0.00 C ATOM 488 CG LEU A 33 8.161 5.812 6.338 1.00 0.00 C ATOM 489 CD1 LEU A 33 8.789 6.886 5.466 1.00 0.00 C ATOM 490 CD2 LEU A 33 8.943 5.660 7.647 1.00 0.00 C ATOM 0 H LEU A 33 6.025 3.746 5.954 1.00 0.00 H new ATOM 0 HA LEU A 33 6.348 5.181 8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.171 6.187 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.620 7.128 7.039 1.00 0.00 H new ATOM 0 HG LEU A 33 8.208 4.856 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.838 6.646 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.264 6.933 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.716 7.851 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.985 5.432 7.424 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.888 6.589 8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.513 4.850 8.236 1.00 0.00 H new ATOM 502 N ASP A 34 3.638 5.024 6.707 1.00 0.00 N ATOM 503 CA ASP A 34 2.213 5.301 6.610 1.00 0.00 C ATOM 504 C ASP A 34 1.595 4.265 5.702 1.00 0.00 C ATOM 505 O ASP A 34 2.295 3.618 4.922 1.00 0.00 O ATOM 506 CB ASP A 34 1.941 6.743 6.073 1.00 0.00 C ATOM 507 CG ASP A 34 0.454 7.064 5.829 1.00 0.00 C ATOM 508 OD1 ASP A 34 -0.409 6.730 6.699 1.00 0.00 O1- ATOM 509 OD2 ASP A 34 0.131 7.622 4.747 1.00 0.00 O ATOM 0 H ASP A 34 3.961 4.335 6.028 1.00 0.00 H new ATOM 0 HA ASP A 34 1.765 5.249 7.603 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.343 7.464 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.487 6.878 5.139 1.00 0.00 H new ATOM 514 N SER A 35 0.352 4.063 5.851 1.00 0.00 N ATOM 515 CA SER A 35 -0.421 3.183 5.055 1.00 0.00 C ATOM 516 C SER A 35 -1.825 3.707 5.119 1.00 0.00 C ATOM 517 O SER A 35 -2.280 4.062 6.193 1.00 0.00 O ATOM 518 CB SER A 35 -0.293 1.741 5.576 1.00 0.00 C ATOM 519 OG SER A 35 -0.422 1.684 6.993 1.00 0.00 O ATOM 0 H SER A 35 -0.195 4.531 6.573 1.00 0.00 H new ATOM 0 HA SER A 35 -0.084 3.146 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.059 1.117 5.115 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.673 1.331 5.281 1.00 0.00 H new ATOM 0 HG SER A 35 -1.221 1.168 7.228 1.00 0.00 H new ATOM 525 N LYS A 36 -2.488 3.839 3.998 1.00 0.00 N ATOM 526 CA LYS A 36 -3.802 4.448 3.989 1.00 0.00 C ATOM 527 C LYS A 36 -4.761 3.807 3.061 1.00 0.00 C ATOM 528 O LYS A 36 -4.395 3.369 1.985 1.00 0.00 O ATOM 529 CB LYS A 36 -3.723 5.950 3.679 1.00 0.00 C ATOM 530 CG LYS A 36 -3.283 6.782 4.849 1.00 0.00 C ATOM 531 CD LYS A 36 -4.357 6.788 5.922 1.00 0.00 C ATOM 532 CE LYS A 36 -3.810 7.274 7.227 1.00 0.00 C ATOM 533 NZ LYS A 36 -2.816 6.318 7.796 1.00 0.00 N1+ ATOM 0 H LYS A 36 -2.147 3.537 3.085 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.184 4.295 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.031 6.106 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.701 6.296 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.353 6.386 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.079 7.802 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.184 7.426 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.759 5.782 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.340 8.247 7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.627 7.415 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.737 6.469 8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.128 5.343 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.889 6.475 7.351 1.00 0.00 H new ATOM 547 N ILE A 37 -5.987 3.759 3.500 1.00 0.00 N ATOM 548 CA ILE A 37 -7.101 3.351 2.698 1.00 0.00 C ATOM 549 C ILE A 37 -7.818 4.629 2.379 1.00 0.00 C ATOM 550 O ILE A 37 -8.193 5.363 3.288 1.00 0.00 O ATOM 551 CB ILE A 37 -8.077 2.430 3.480 1.00 0.00 C ATOM 552 CG1 ILE A 37 -7.344 1.225 4.065 1.00 0.00 C ATOM 553 CG2 ILE A 37 -9.241 1.976 2.590 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.675 0.336 3.048 1.00 0.00 C ATOM 0 H ILE A 37 -6.244 4.011 4.454 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.764 2.793 1.825 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.489 3.010 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.590 1.582 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.054 0.628 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.908 1.333 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.792 2.848 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.851 1.424 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.181 -0.492 3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.423 -0.056 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.936 0.912 2.491 1.00 0.00 H new ATOM 566 N ILE A 38 -7.955 4.940 1.138 1.00 0.00 N ATOM 567 CA ILE A 38 -8.578 6.179 0.773 1.00 0.00 C ATOM 568 C ILE A 38 -10.033 5.909 0.478 1.00 0.00 C ATOM 569 O ILE A 38 -10.374 4.982 -0.273 1.00 0.00 O ATOM 570 CB ILE A 38 -7.839 6.857 -0.416 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.320 7.000 -0.093 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.447 8.224 -0.737 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.992 7.791 1.187 1.00 0.00 C ATOM 0 H ILE A 38 -7.648 4.362 0.356 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.514 6.889 1.598 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.956 6.223 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.888 6.003 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.830 7.486 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.910 8.674 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.497 8.102 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.368 8.871 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.911 7.833 1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.387 8.803 1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.446 7.297 2.046 1.00 0.00 H new ATOM 585 N ASN A 39 -10.878 6.664 1.104 1.00 0.00 N ATOM 586 CA ASN A 39 -12.298 6.450 1.033 1.00 0.00 C ATOM 587 C ASN A 39 -12.984 7.339 0.008 1.00 0.00 C ATOM 588 O ASN A 39 -12.413 8.307 -0.509 1.00 0.00 O ATOM 589 CB ASN A 39 -12.934 6.656 2.418 1.00 0.00 C ATOM 590 CG ASN A 39 -12.749 8.071 2.944 1.00 0.00 C ATOM 591 OD1 ASN A 39 -11.752 8.383 3.564 1.00 0.00 O ATOM 592 ND2 ASN A 39 -13.706 8.926 2.715 1.00 0.00 N ATOM 0 H ASN A 39 -10.605 7.456 1.686 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.444 5.421 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.999 6.430 2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.495 5.950 3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.628 9.883 3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.533 8.638 2.192 1.00 0.00 H new ATOM 599 N ASP A 40 -14.207 6.983 -0.272 1.00 0.00 N ATOM 600 CA ASP A 40 -15.105 7.719 -1.141 1.00 0.00 C ATOM 601 C ASP A 40 -15.794 8.720 -0.236 1.00 0.00 C ATOM 602 O ASP A 40 -16.564 8.327 0.634 1.00 0.00 O ATOM 603 CB ASP A 40 -16.137 6.698 -1.698 1.00 0.00 C ATOM 604 CG ASP A 40 -17.272 7.241 -2.535 1.00 0.00 C ATOM 605 OD1 ASP A 40 -18.037 8.045 -2.028 1.00 0.00 O ATOM 606 OD2 ASP A 40 -17.494 6.737 -3.655 1.00 0.00 O1- ATOM 0 H ASP A 40 -14.630 6.138 0.111 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.609 8.219 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.596 5.966 -2.298 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.569 6.161 -0.853 1.00 0.00 H new ATOM 611 N ARG A 41 -15.440 9.988 -0.345 1.00 0.00 N ATOM 612 CA ARG A 41 -16.045 10.998 0.527 1.00 0.00 C ATOM 613 C ARG A 41 -17.469 11.353 0.132 1.00 0.00 C ATOM 614 O ARG A 41 -18.144 12.086 0.840 1.00 0.00 O ATOM 615 CB ARG A 41 -15.167 12.263 0.795 1.00 0.00 C ATOM 616 CG ARG A 41 -15.014 13.311 -0.323 1.00 0.00 C ATOM 617 CD ARG A 41 -14.217 12.824 -1.515 1.00 0.00 C ATOM 618 NE ARG A 41 -13.898 13.936 -2.445 1.00 0.00 N ATOM 619 CZ ARG A 41 -14.075 13.914 -3.782 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.739 12.920 -4.353 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -13.631 14.932 -4.533 1.00 0.00 N ATOM 0 H ARG A 41 -14.754 10.345 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.098 10.498 1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.577 12.770 1.669 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.168 11.920 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.005 13.615 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.531 14.198 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.293 12.359 -1.171 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.783 12.057 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.512 14.789 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.120 12.166 -3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.870 12.909 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.160 15.722 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.765 14.916 -5.544 1.00 0.00 H new ATOM 635 N GLU A 42 -17.896 10.846 -1.000 1.00 0.00 N ATOM 636 CA GLU A 42 -19.197 11.146 -1.533 1.00 0.00 C ATOM 637 C GLU A 42 -20.271 10.337 -0.808 1.00 0.00 C ATOM 638 O GLU A 42 -21.306 10.860 -0.409 1.00 0.00 O ATOM 639 CB GLU A 42 -19.278 10.828 -3.055 1.00 0.00 C ATOM 640 CG GLU A 42 -18.195 11.450 -3.957 1.00 0.00 C ATOM 641 CD GLU A 42 -16.856 10.705 -3.956 1.00 0.00 C ATOM 642 OE1 GLU A 42 -15.989 10.970 -3.088 1.00 0.00 O ATOM 643 OE2 GLU A 42 -16.597 9.913 -4.864 1.00 0.00 O1- ATOM 0 H GLU A 42 -17.345 10.211 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 42 -19.367 12.212 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.241 9.746 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.252 11.156 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -18.572 11.491 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.023 12.478 -3.639 1.00 0.00 H new ATOM 650 N THR A 43 -20.014 9.064 -0.668 1.00 0.00 N ATOM 651 CA THR A 43 -20.978 8.140 -0.120 1.00 0.00 C ATOM 652 C THR A 43 -20.480 7.416 1.138 1.00 0.00 C ATOM 653 O THR A 43 -21.282 6.959 1.952 1.00 0.00 O ATOM 654 CB THR A 43 -21.326 7.092 -1.188 1.00 0.00 C ATOM 655 OG1 THR A 43 -20.125 6.468 -1.625 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.981 7.735 -2.387 1.00 0.00 C ATOM 0 H THR A 43 -19.127 8.634 -0.931 1.00 0.00 H new ATOM 0 HA THR A 43 -21.850 8.725 0.171 1.00 0.00 H new ATOM 0 HB THR A 43 -22.014 6.369 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.612 7.095 -2.176 1.00 0.00 H new ATOM 0 HG21 THR A 43 -22.216 6.970 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.899 8.234 -2.076 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.301 8.466 -2.825 1.00 0.00 H new ATOM 664 N GLY A 44 -19.172 7.304 1.296 1.00 0.00 N ATOM 665 CA GLY A 44 -18.643 6.572 2.432 1.00 0.00 C ATOM 666 C GLY A 44 -18.100 5.202 2.040 1.00 0.00 C ATOM 667 O GLY A 44 -17.868 4.343 2.892 1.00 0.00 O ATOM 0 H GLY A 44 -18.472 7.700 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.848 7.155 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -19.428 6.449 3.178 1.00 0.00 H new ATOM 671 N ARG A 45 -17.912 4.991 0.752 1.00 0.00 N ATOM 672 CA ARG A 45 -17.318 3.745 0.251 1.00 0.00 C ATOM 673 C ARG A 45 -15.799 3.866 0.373 1.00 0.00 C ATOM 674 O ARG A 45 -15.279 4.811 0.968 1.00 0.00 O ATOM 675 CB ARG A 45 -17.604 3.571 -1.244 1.00 0.00 C ATOM 676 CG ARG A 45 -19.037 3.643 -1.689 1.00 0.00 C ATOM 677 CD ARG A 45 -19.052 3.837 -3.197 1.00 0.00 C ATOM 678 NE ARG A 45 -20.387 4.064 -3.758 1.00 0.00 N ATOM 679 CZ ARG A 45 -20.689 5.095 -4.581 1.00 0.00 C ATOM 680 NH1 ARG A 45 -19.818 6.107 -4.761 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -21.891 5.146 -5.173 1.00 0.00 N ATOM 0 H ARG A 45 -18.159 5.661 0.024 1.00 0.00 H new ATOM 0 HA ARG A 45 -17.730 2.911 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.045 4.335 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -17.204 2.605 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -19.567 2.730 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -19.549 4.468 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -18.415 4.684 -3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.616 2.957 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 45 -21.130 3.409 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.921 6.101 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -20.055 6.879 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -22.575 4.409 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -22.121 5.922 -5.794 1.00 0.00 H new ATOM 695 N SER A 46 -15.098 2.952 -0.209 1.00 0.00 N ATOM 696 CA SER A 46 -13.694 3.058 -0.324 1.00 0.00 C ATOM 697 C SER A 46 -13.390 3.433 -1.781 1.00 0.00 C ATOM 698 O SER A 46 -14.265 3.307 -2.640 1.00 0.00 O ATOM 699 CB SER A 46 -13.047 1.730 0.085 1.00 0.00 C ATOM 700 OG SER A 46 -13.661 0.642 -0.589 1.00 0.00 O ATOM 0 H SER A 46 -15.493 2.106 -0.620 1.00 0.00 H new ATOM 0 HA SER A 46 -13.284 3.823 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.982 1.753 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.136 1.593 1.163 1.00 0.00 H new ATOM 0 HG SER A 46 -13.233 -0.196 -0.316 1.00 0.00 H new ATOM 706 N ARG A 47 -12.198 3.926 -2.067 1.00 0.00 N ATOM 707 CA ARG A 47 -11.832 4.241 -3.457 1.00 0.00 C ATOM 708 C ARG A 47 -11.430 2.972 -4.186 1.00 0.00 C ATOM 709 O ARG A 47 -11.199 2.979 -5.385 1.00 0.00 O ATOM 710 CB ARG A 47 -10.680 5.248 -3.515 1.00 0.00 C ATOM 711 CG ARG A 47 -10.999 6.649 -3.004 1.00 0.00 C ATOM 712 CD ARG A 47 -11.720 7.542 -4.023 1.00 0.00 C ATOM 713 NE ARG A 47 -13.040 7.059 -4.461 1.00 0.00 N ATOM 714 CZ ARG A 47 -14.126 7.847 -4.588 1.00 0.00 C ATOM 715 NH1 ARG A 47 -14.095 9.099 -4.171 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -15.240 7.381 -5.093 1.00 0.00 N ATOM 0 H ARG A 47 -11.471 4.118 -1.377 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.702 4.686 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.846 4.851 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.342 5.326 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.617 6.565 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.070 7.135 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.840 8.535 -3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.082 7.652 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.139 6.068 -4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.246 9.475 -3.750 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.920 9.690 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.295 6.409 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.053 7.990 -5.183 1.00 0.00 H new ATOM 730 N GLY A 48 -11.346 1.895 -3.436 1.00 0.00 N ATOM 731 CA GLY A 48 -10.954 0.634 -3.985 1.00 0.00 C ATOM 732 C GLY A 48 -9.462 0.488 -4.000 1.00 0.00 C ATOM 733 O GLY A 48 -8.934 -0.440 -4.590 1.00 0.00 O ATOM 0 H GLY A 48 -11.548 1.877 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.395 -0.173 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.341 0.540 -5.000 1.00 0.00 H new ATOM 737 N PHE A 49 -8.776 1.406 -3.352 1.00 0.00 N ATOM 738 CA PHE A 49 -7.344 1.376 -3.292 1.00 0.00 C ATOM 739 C PHE A 49 -6.834 2.121 -2.083 1.00 0.00 C ATOM 740 O PHE A 49 -7.610 2.753 -1.337 1.00 0.00 O ATOM 741 CB PHE A 49 -6.692 1.935 -4.584 1.00 0.00 C ATOM 742 CG PHE A 49 -7.032 3.350 -4.934 1.00 0.00 C ATOM 743 CD1 PHE A 49 -6.489 4.408 -4.229 1.00 0.00 C ATOM 744 CD2 PHE A 49 -7.886 3.608 -5.967 1.00 0.00 C ATOM 745 CE1 PHE A 49 -6.798 5.711 -4.550 1.00 0.00 C ATOM 746 CE2 PHE A 49 -8.212 4.907 -6.311 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.666 5.965 -5.597 1.00 0.00 C ATOM 0 H PHE A 49 -9.201 2.189 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.056 0.328 -3.204 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.609 1.857 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.981 1.296 -5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.811 4.209 -3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.313 2.787 -6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.367 6.527 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.888 5.098 -7.131 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.918 6.982 -5.858 1.00 0.00 H new ATOM 757 N GLY A 50 -5.553 2.052 -1.907 1.00 0.00 N ATOM 758 CA GLY A 50 -4.888 2.713 -0.861 1.00 0.00 C ATOM 759 C GLY A 50 -3.426 2.843 -1.180 1.00 0.00 C ATOM 760 O GLY A 50 -2.987 2.468 -2.276 1.00 0.00 O ATOM 0 H GLY A 50 -4.933 1.514 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.324 3.700 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.017 2.160 0.070 1.00 0.00 H new ATOM 764 N PHE A 51 -2.674 3.339 -0.246 1.00 0.00 N ATOM 765 CA PHE A 51 -1.262 3.559 -0.440 1.00 0.00 C ATOM 766 C PHE A 51 -0.481 3.001 0.720 1.00 0.00 C ATOM 767 O PHE A 51 -0.946 3.030 1.856 1.00 0.00 O ATOM 768 CB PHE A 51 -0.945 5.055 -0.594 1.00 0.00 C ATOM 769 CG PHE A 51 -1.523 5.707 -1.824 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.857 5.635 -3.037 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.722 6.400 -1.763 1.00 0.00 C ATOM 772 CE1 PHE A 51 -1.375 6.238 -4.164 1.00 0.00 C ATOM 773 CE2 PHE A 51 -3.247 7.004 -2.889 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.572 6.923 -4.092 1.00 0.00 C ATOM 0 H PHE A 51 -3.017 3.605 0.677 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.972 3.046 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.315 5.582 0.286 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.138 5.182 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.079 5.100 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.252 6.468 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.845 6.175 -5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.183 7.539 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.980 7.394 -4.974 1.00 0.00 H new ATOM 784 N VAL A 52 0.680 2.481 0.429 1.00 0.00 N ATOM 785 CA VAL A 52 1.578 1.958 1.443 1.00 0.00 C ATOM 786 C VAL A 52 2.862 2.753 1.361 1.00 0.00 C ATOM 787 O VAL A 52 3.370 2.976 0.269 1.00 0.00 O ATOM 788 CB VAL A 52 1.902 0.456 1.216 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.736 -0.101 2.360 1.00 0.00 C ATOM 790 CG2 VAL A 52 0.638 -0.354 1.045 1.00 0.00 C ATOM 0 H VAL A 52 1.039 2.404 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 52 1.101 2.046 2.419 1.00 0.00 H new ATOM 0 HB VAL A 52 2.484 0.380 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.949 -1.154 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.673 0.452 2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.185 -0.000 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.896 -1.401 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.023 -0.262 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.082 0.016 0.183 1.00 0.00 H new ATOM 800 N THR A 53 3.350 3.209 2.462 1.00 0.00 N ATOM 801 CA THR A 53 4.535 3.999 2.477 1.00 0.00 C ATOM 802 C THR A 53 5.669 3.264 3.128 1.00 0.00 C ATOM 803 O THR A 53 5.630 2.970 4.329 1.00 0.00 O ATOM 804 CB THR A 53 4.290 5.265 3.252 1.00 0.00 C ATOM 805 OG1 THR A 53 3.067 5.822 2.808 1.00 0.00 O ATOM 806 CG2 THR A 53 5.419 6.242 3.022 1.00 0.00 C ATOM 0 H THR A 53 2.939 3.045 3.381 1.00 0.00 H new ATOM 0 HA THR A 53 4.798 4.223 1.443 1.00 0.00 H new ATOM 0 HB THR A 53 4.240 5.049 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.321 5.381 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.231 7.155 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.358 5.797 3.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.484 6.480 1.960 1.00 0.00 H new ATOM 814 N PHE A 54 6.660 2.983 2.359 1.00 0.00 N ATOM 815 CA PHE A 54 7.835 2.362 2.856 1.00 0.00 C ATOM 816 C PHE A 54 8.873 3.394 3.105 1.00 0.00 C ATOM 817 O PHE A 54 8.857 4.461 2.495 1.00 0.00 O ATOM 818 CB PHE A 54 8.380 1.353 1.875 1.00 0.00 C ATOM 819 CG PHE A 54 7.520 0.159 1.702 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.615 -0.906 2.576 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.614 0.098 0.672 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.817 -2.008 2.419 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.813 -0.996 0.510 1.00 0.00 C ATOM 824 CZ PHE A 54 5.914 -2.049 1.382 1.00 0.00 C ATOM 0 H PHE A 54 6.678 3.179 1.358 1.00 0.00 H new ATOM 0 HA PHE A 54 7.577 1.846 3.781 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.512 1.837 0.907 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.367 1.033 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.324 -0.870 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.534 0.925 -0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.896 -2.839 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.102 -1.032 -0.302 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.282 -2.915 1.254 1.00 0.00 H new ATOM 834 N LYS A 55 9.746 3.105 4.010 1.00 0.00 N ATOM 835 CA LYS A 55 10.864 3.966 4.268 1.00 0.00 C ATOM 836 C LYS A 55 11.977 3.602 3.305 1.00 0.00 C ATOM 837 O LYS A 55 12.819 4.413 2.966 1.00 0.00 O ATOM 838 CB LYS A 55 11.379 3.744 5.690 1.00 0.00 C ATOM 839 CG LYS A 55 12.369 4.804 6.148 1.00 0.00 C ATOM 840 CD LYS A 55 13.111 4.439 7.438 1.00 0.00 C ATOM 841 CE LYS A 55 14.321 3.525 7.182 1.00 0.00 C ATOM 842 NZ LYS A 55 13.996 2.103 6.913 1.00 0.00 N1+ ATOM 0 H LYS A 55 9.710 2.269 4.594 1.00 0.00 H new ATOM 0 HA LYS A 55 10.557 5.005 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.532 3.728 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.854 2.765 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.098 4.974 5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.838 5.744 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.447 5.351 7.931 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.422 3.942 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.880 3.919 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.981 3.572 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.700 1.704 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.009 1.569 7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.050 2.038 6.485 1.00 0.00 H new ATOM 856 N ASP A 56 11.945 2.370 2.857 1.00 0.00 N ATOM 857 CA ASP A 56 13.036 1.822 2.108 1.00 0.00 C ATOM 858 C ASP A 56 12.633 1.527 0.691 1.00 0.00 C ATOM 859 O ASP A 56 11.576 0.937 0.439 1.00 0.00 O ATOM 860 CB ASP A 56 13.500 0.513 2.766 1.00 0.00 C ATOM 861 CG ASP A 56 13.755 0.664 4.248 1.00 0.00 C ATOM 862 OD1 ASP A 56 12.778 0.574 5.047 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 14.899 0.922 4.646 1.00 0.00 O ATOM 0 H ASP A 56 11.166 1.728 3.003 1.00 0.00 H new ATOM 0 HA ASP A 56 13.840 2.557 2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.744 -0.256 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.412 0.169 2.278 1.00 0.00 H new ATOM 868 N GLU A 57 13.507 1.881 -0.216 1.00 0.00 N ATOM 869 CA GLU A 57 13.363 1.611 -1.644 1.00 0.00 C ATOM 870 C GLU A 57 13.397 0.094 -1.883 1.00 0.00 C ATOM 871 O GLU A 57 12.627 -0.464 -2.671 1.00 0.00 O ATOM 872 CB GLU A 57 14.531 2.292 -2.378 1.00 0.00 C ATOM 873 CG GLU A 57 14.575 2.087 -3.883 1.00 0.00 C ATOM 874 CD GLU A 57 13.453 2.753 -4.640 1.00 0.00 C ATOM 875 OE1 GLU A 57 12.293 2.329 -4.500 1.00 0.00 O ATOM 876 OE2 GLU A 57 13.724 3.706 -5.412 1.00 0.00 O1- ATOM 0 H GLU A 57 14.367 2.380 0.014 1.00 0.00 H new ATOM 0 HA GLU A 57 12.415 1.999 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.487 3.362 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.466 1.926 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.525 2.465 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.552 1.017 -4.092 1.00 0.00 H new ATOM 883 N LYS A 58 14.263 -0.577 -1.136 1.00 0.00 N ATOM 884 CA LYS A 58 14.446 -2.015 -1.269 1.00 0.00 C ATOM 885 C LYS A 58 13.200 -2.778 -0.797 1.00 0.00 C ATOM 886 O LYS A 58 12.925 -3.870 -1.261 1.00 0.00 O ATOM 887 CB LYS A 58 15.704 -2.477 -0.498 1.00 0.00 C ATOM 888 CG LYS A 58 16.012 -3.976 -0.615 1.00 0.00 C ATOM 889 CD LYS A 58 16.292 -4.392 -2.060 1.00 0.00 C ATOM 890 CE LYS A 58 16.490 -5.900 -2.187 1.00 0.00 C ATOM 891 NZ LYS A 58 15.279 -6.648 -1.786 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.854 -0.144 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 58 14.591 -2.241 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.564 -1.914 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.581 -2.226 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.875 -4.218 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.170 -4.550 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.463 -4.079 -2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.182 -3.877 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 58 16.746 -6.148 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 58 17.331 -6.210 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.218 -7.530 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.330 -6.873 -0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.436 -6.068 -1.970 1.00 0.00 H new ATOM 905 N ALA A 59 12.454 -2.184 0.102 1.00 0.00 N ATOM 906 CA ALA A 59 11.255 -2.817 0.619 1.00 0.00 C ATOM 907 C ALA A 59 10.110 -2.617 -0.352 1.00 0.00 C ATOM 908 O ALA A 59 9.314 -3.515 -0.569 1.00 0.00 O ATOM 909 CB ALA A 59 10.912 -2.245 1.974 1.00 0.00 C ATOM 0 H ALA A 59 12.652 -1.263 0.494 1.00 0.00 H new ATOM 0 HA ALA A 59 11.432 -3.887 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.011 -2.726 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.737 -2.423 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.740 -1.172 1.883 1.00 0.00 H new ATOM 915 N MET A 60 10.080 -1.434 -0.953 1.00 0.00 N ATOM 916 CA MET A 60 9.075 -1.034 -1.944 1.00 0.00 C ATOM 917 C MET A 60 9.049 -2.048 -3.093 1.00 0.00 C ATOM 918 O MET A 60 8.008 -2.628 -3.413 1.00 0.00 O ATOM 919 CB MET A 60 9.458 0.388 -2.448 1.00 0.00 C ATOM 920 CG MET A 60 8.526 1.070 -3.466 1.00 0.00 C ATOM 921 SD MET A 60 8.505 0.340 -5.121 1.00 0.00 S ATOM 922 CE MET A 60 10.228 0.454 -5.579 1.00 0.00 C ATOM 0 H MET A 60 10.768 -0.705 -0.764 1.00 0.00 H new ATOM 0 HA MET A 60 8.076 -1.011 -1.509 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.537 1.040 -1.578 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.451 0.328 -2.893 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.511 1.054 -3.069 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.818 2.117 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.321 1.018 -6.507 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.782 0.961 -4.789 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.634 -0.548 -5.721 1.00 0.00 H new ATOM 932 N ARG A 61 10.228 -2.286 -3.646 1.00 0.00 N ATOM 933 CA ARG A 61 10.459 -3.172 -4.773 1.00 0.00 C ATOM 934 C ARG A 61 9.907 -4.564 -4.466 1.00 0.00 C ATOM 935 O ARG A 61 9.104 -5.126 -5.223 1.00 0.00 O ATOM 936 CB ARG A 61 11.999 -3.246 -4.953 1.00 0.00 C ATOM 937 CG ARG A 61 12.536 -3.679 -6.315 1.00 0.00 C ATOM 938 CD ARG A 61 12.046 -5.040 -6.776 1.00 0.00 C ATOM 939 NE ARG A 61 12.386 -6.161 -5.867 1.00 0.00 N ATOM 940 CZ ARG A 61 12.158 -7.455 -6.183 1.00 0.00 C ATOM 941 NH1 ARG A 61 11.818 -7.771 -7.428 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 12.311 -8.421 -5.278 1.00 0.00 N ATOM 0 H ARG A 61 11.085 -1.848 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 61 9.965 -2.808 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.410 -2.262 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.391 -3.934 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.253 -2.933 -7.058 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.625 -3.692 -6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.963 -5.001 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.466 -5.248 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 61 12.810 -5.946 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.731 -7.040 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.644 -8.745 -7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.605 -8.189 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.134 -9.392 -5.534 1.00 0.00 H new ATOM 956 N ASP A 62 10.331 -5.077 -3.361 1.00 0.00 N ATOM 957 CA ASP A 62 10.055 -6.433 -2.961 1.00 0.00 C ATOM 958 C ASP A 62 8.626 -6.632 -2.522 1.00 0.00 C ATOM 959 O ASP A 62 8.085 -7.727 -2.636 1.00 0.00 O ATOM 960 CB ASP A 62 11.066 -6.871 -1.910 1.00 0.00 C ATOM 961 CG ASP A 62 12.452 -7.048 -2.511 1.00 0.00 C ATOM 962 OD1 ASP A 62 13.032 -6.075 -3.077 1.00 0.00 O ATOM 963 OD2 ASP A 62 13.027 -8.130 -2.431 1.00 0.00 O1- ATOM 0 H ASP A 62 10.895 -4.559 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 62 10.169 -7.079 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.106 -6.130 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.741 -7.809 -1.459 1.00 0.00 H new ATOM 968 N ALA A 63 7.998 -5.571 -2.069 1.00 0.00 N ATOM 969 CA ALA A 63 6.613 -5.632 -1.652 1.00 0.00 C ATOM 970 C ALA A 63 5.733 -5.830 -2.861 1.00 0.00 C ATOM 971 O ALA A 63 4.746 -6.568 -2.818 1.00 0.00 O ATOM 972 CB ALA A 63 6.229 -4.367 -0.947 1.00 0.00 C ATOM 0 H ALA A 63 8.426 -4.650 -1.979 1.00 0.00 H new ATOM 0 HA ALA A 63 6.483 -6.469 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.185 -4.425 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.860 -4.234 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.362 -3.520 -1.621 1.00 0.00 H new ATOM 978 N ILE A 64 6.114 -5.180 -3.944 1.00 0.00 N ATOM 979 CA ILE A 64 5.414 -5.291 -5.202 1.00 0.00 C ATOM 980 C ILE A 64 5.502 -6.720 -5.716 1.00 0.00 C ATOM 981 O ILE A 64 4.494 -7.333 -6.017 1.00 0.00 O ATOM 982 CB ILE A 64 5.997 -4.305 -6.249 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.791 -2.867 -5.771 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.343 -4.507 -7.623 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.473 -1.842 -6.632 1.00 0.00 C ATOM 0 H ILE A 64 6.922 -4.558 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 64 4.368 -5.032 -5.041 1.00 0.00 H new ATOM 0 HB ILE A 64 7.064 -4.502 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.723 -2.652 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.162 -2.776 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.771 -3.803 -8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.524 -5.526 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.269 -4.336 -7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.283 -0.846 -6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.547 -2.030 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.085 -1.905 -7.649 1.00 0.00 H new ATOM 997 N GLU A 65 6.707 -7.247 -5.754 1.00 0.00 N ATOM 998 CA GLU A 65 6.940 -8.600 -6.248 1.00 0.00 C ATOM 999 C GLU A 65 6.275 -9.657 -5.351 1.00 0.00 C ATOM 1000 O GLU A 65 5.598 -10.555 -5.838 1.00 0.00 O ATOM 1001 CB GLU A 65 8.447 -8.855 -6.362 1.00 0.00 C ATOM 1002 CG GLU A 65 8.835 -10.240 -6.874 1.00 0.00 C ATOM 1003 CD GLU A 65 10.329 -10.379 -7.011 1.00 0.00 C ATOM 1004 OE1 GLU A 65 11.010 -10.638 -6.004 1.00 0.00 O1- ATOM 1005 OE2 GLU A 65 10.856 -10.118 -8.114 1.00 0.00 O ATOM 0 H GLU A 65 7.550 -6.761 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 65 6.485 -8.686 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.877 -8.106 -7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.899 -8.708 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.459 -11.001 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.362 -10.418 -7.840 1.00 0.00 H new ATOM 1012 N GLY A 66 6.432 -9.504 -4.055 1.00 0.00 N ATOM 1013 CA GLY A 66 5.951 -10.498 -3.131 1.00 0.00 C ATOM 1014 C GLY A 66 4.455 -10.468 -2.851 1.00 0.00 C ATOM 1015 O GLY A 66 3.886 -11.492 -2.503 1.00 0.00 O ATOM 0 H GLY A 66 6.888 -8.702 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.210 -11.483 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.482 -10.377 -2.187 1.00 0.00 H new ATOM 1019 N MET A 67 3.807 -9.319 -2.974 1.00 0.00 N ATOM 1020 CA MET A 67 2.390 -9.259 -2.599 1.00 0.00 C ATOM 1021 C MET A 67 1.427 -8.867 -3.699 1.00 0.00 C ATOM 1022 O MET A 67 0.215 -8.772 -3.452 1.00 0.00 O ATOM 1023 CB MET A 67 2.160 -8.422 -1.340 1.00 0.00 C ATOM 1024 CG MET A 67 2.627 -9.119 -0.085 1.00 0.00 C ATOM 1025 SD MET A 67 2.213 -8.250 1.436 1.00 0.00 S ATOM 1026 CE MET A 67 2.738 -9.466 2.643 1.00 0.00 C ATOM 0 H MET A 67 4.212 -8.447 -3.315 1.00 0.00 H new ATOM 0 HA MET A 67 2.146 -10.299 -2.383 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.684 -7.472 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.098 -8.193 -1.250 1.00 0.00 H new ATOM 0 HG2 MET A 67 2.189 -10.116 -0.052 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.708 -9.247 -0.135 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.966 -9.579 3.404 1.00 0.00 H new ATOM 0 HE2 MET A 67 2.902 -10.423 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.665 -9.136 3.112 1.00 0.00 H new ATOM 1036 N ASN A 68 1.907 -8.643 -4.893 1.00 0.00 N ATOM 1037 CA ASN A 68 0.993 -8.309 -5.977 1.00 0.00 C ATOM 1038 C ASN A 68 0.231 -9.555 -6.402 1.00 0.00 C ATOM 1039 O ASN A 68 0.828 -10.514 -6.879 1.00 0.00 O ATOM 1040 CB ASN A 68 1.736 -7.732 -7.185 1.00 0.00 C ATOM 1041 CG ASN A 68 0.797 -7.268 -8.282 1.00 0.00 C ATOM 1042 OD1 ASN A 68 -0.310 -6.809 -8.016 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.224 -7.386 -9.516 1.00 0.00 N ATOM 0 H ASN A 68 2.894 -8.681 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 68 0.302 -7.550 -5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.352 -6.893 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.412 -8.488 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.630 -7.092 -10.291 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.150 -7.772 -9.701 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.072 -9.543 -6.218 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.872 -10.664 -6.627 1.00 0.00 C ATOM 1052 C GLY A 69 -2.236 -11.593 -5.485 1.00 0.00 C ATOM 1053 O GLY A 69 -2.842 -12.647 -5.713 1.00 0.00 O ATOM 0 H GLY A 69 -1.590 -8.775 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.787 -10.297 -7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.332 -11.229 -7.387 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.880 -11.232 -4.259 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.236 -12.075 -3.121 1.00 0.00 C ATOM 1059 C GLN A 70 -3.524 -11.566 -2.473 1.00 0.00 C ATOM 1060 O GLN A 70 -4.129 -10.596 -2.950 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.130 -12.149 -2.057 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.957 -10.880 -1.240 1.00 0.00 C ATOM 1063 CD GLN A 70 -0.117 -11.101 -0.007 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.775 -11.933 0.018 1.00 0.00 O ATOM 1065 NE2 GLN A 70 -0.423 -10.384 1.038 1.00 0.00 N ATOM 0 H GLN A 70 -1.359 -10.386 -4.028 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.378 -13.082 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.349 -12.975 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.185 -12.381 -2.548 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.493 -10.112 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.937 -10.504 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.175 -9.697 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.089 -10.510 1.911 1.00 0.00 H new ATOM 1074 N ASP A 71 -3.927 -12.214 -1.398 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.120 -11.830 -0.667 1.00 0.00 C ATOM 1076 C ASP A 71 -4.736 -10.989 0.544 1.00 0.00 C ATOM 1077 O ASP A 71 -3.646 -11.157 1.114 1.00 0.00 O ATOM 1078 CB ASP A 71 -5.900 -13.070 -0.193 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.234 -12.715 0.464 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.260 -12.366 1.677 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.254 -12.767 -0.229 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.439 -13.020 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.755 -11.250 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.083 -13.726 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.289 -13.629 0.515 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.584 -10.066 0.875 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.475 -9.252 2.041 1.00 0.00 C ATOM 1088 C LEU A 72 -6.873 -8.864 2.473 1.00 0.00 C ATOM 1089 O LEU A 72 -7.591 -8.196 1.717 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.639 -7.997 1.770 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.485 -7.021 2.947 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.772 -7.679 4.121 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.752 -5.771 2.508 1.00 0.00 C ATOM 0 H LEU A 72 -6.408 -9.851 0.313 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.971 -9.812 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.645 -8.309 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.088 -7.459 0.935 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.483 -6.738 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.678 -6.963 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.347 -8.541 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.780 -8.004 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.652 -5.092 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.762 -6.040 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.313 -5.280 1.713 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.264 -9.333 3.651 1.00 0.00 N ATOM 1106 CA ASP A 73 -8.576 -9.038 4.265 1.00 0.00 C ATOM 1107 C ASP A 73 -9.727 -9.668 3.477 1.00 0.00 C ATOM 1108 O ASP A 73 -10.868 -9.183 3.524 1.00 0.00 O ATOM 1109 CB ASP A 73 -8.806 -7.505 4.461 1.00 0.00 C ATOM 1110 CG ASP A 73 -7.893 -6.875 5.514 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -7.849 -7.373 6.645 1.00 0.00 O1- ATOM 1112 OD2 ASP A 73 -7.192 -5.872 5.200 1.00 0.00 O ATOM 0 H ASP A 73 -6.678 -9.939 4.225 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.562 -9.493 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.650 -6.999 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.845 -7.336 4.746 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.442 -10.778 2.787 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.468 -11.466 2.023 1.00 0.00 C ATOM 1119 C GLY A 74 -10.660 -10.811 0.687 1.00 0.00 C ATOM 1120 O GLY A 74 -11.750 -10.844 0.091 1.00 0.00 O ATOM 0 H GLY A 74 -8.518 -11.209 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.188 -12.510 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.407 -11.459 2.576 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.627 -10.169 0.241 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.646 -9.461 -0.977 1.00 0.00 C ATOM 1126 C ARG A 75 -8.343 -9.665 -1.728 1.00 0.00 C ATOM 1127 O ARG A 75 -7.285 -9.643 -1.138 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.835 -7.999 -0.677 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.996 -7.141 -1.890 1.00 0.00 C ATOM 1130 CD ARG A 75 -11.281 -7.447 -2.625 1.00 0.00 C ATOM 1131 NE ARG A 75 -11.454 -6.552 -3.764 1.00 0.00 N ATOM 1132 CZ ARG A 75 -12.549 -6.455 -4.515 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -13.604 -7.247 -4.268 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -12.592 -5.566 -5.513 1.00 0.00 N ATOM 0 H ARG A 75 -8.734 -10.128 0.732 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.462 -9.827 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.713 -7.880 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.978 -7.643 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.986 -6.091 -1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.149 -7.294 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.271 -8.481 -2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.127 -7.345 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.668 -5.948 -4.006 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.567 -7.923 -3.505 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.443 -7.173 -4.843 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.788 -4.966 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.429 -5.488 -6.091 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.423 -9.806 -3.021 1.00 0.00 N ATOM 1149 CA ASN A 76 -7.223 -9.942 -3.834 1.00 0.00 C ATOM 1150 C ASN A 76 -6.770 -8.555 -4.195 1.00 0.00 C ATOM 1151 O ASN A 76 -7.576 -7.733 -4.653 1.00 0.00 O ATOM 1152 CB ASN A 76 -7.481 -10.784 -5.084 1.00 0.00 C ATOM 1153 CG ASN A 76 -6.200 -11.108 -5.829 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -5.774 -10.380 -6.710 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -5.587 -12.210 -5.474 1.00 0.00 N ATOM 0 H ASN A 76 -9.298 -9.831 -3.544 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.447 -10.464 -3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.979 -11.711 -4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -8.160 -10.248 -5.747 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.722 -12.485 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.975 -12.793 -4.732 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.521 -8.282 -3.957 1.00 0.00 N ATOM 1163 CA ILE A 77 -5.005 -6.941 -4.064 1.00 0.00 C ATOM 1164 C ILE A 77 -3.891 -6.805 -5.119 1.00 0.00 C ATOM 1165 O ILE A 77 -3.083 -7.720 -5.325 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.482 -6.469 -2.685 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.405 -7.444 -2.174 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.652 -6.422 -1.689 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.544 -6.905 -1.054 1.00 0.00 C ATOM 0 H ILE A 77 -4.828 -8.979 -3.683 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.830 -6.310 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.045 -5.475 -2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.893 -8.356 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.760 -7.721 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -5.289 -6.090 -0.716 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.409 -5.726 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.089 -7.416 -1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.815 -7.660 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.022 -6.010 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.173 -6.655 -0.199 1.00 0.00 H new ATOM 1181 N THR A 78 -3.857 -5.661 -5.767 1.00 0.00 N ATOM 1182 CA THR A 78 -2.870 -5.355 -6.774 1.00 0.00 C ATOM 1183 C THR A 78 -1.892 -4.286 -6.233 1.00 0.00 C ATOM 1184 O THR A 78 -2.302 -3.172 -5.908 1.00 0.00 O ATOM 1185 CB THR A 78 -3.577 -4.818 -8.035 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.609 -5.736 -8.421 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.597 -4.650 -9.191 1.00 0.00 C ATOM 0 H THR A 78 -4.525 -4.907 -5.605 1.00 0.00 H new ATOM 0 HA THR A 78 -2.313 -6.258 -7.025 1.00 0.00 H new ATOM 0 HB THR A 78 -4.001 -3.841 -7.802 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.064 -5.399 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.127 -4.270 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.815 -3.946 -8.906 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.148 -5.614 -9.430 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.621 -4.622 -6.173 1.00 0.00 N ATOM 1196 CA VAL A 79 0.406 -3.737 -5.617 1.00 0.00 C ATOM 1197 C VAL A 79 1.284 -3.230 -6.761 1.00 0.00 C ATOM 1198 O VAL A 79 1.782 -4.029 -7.552 1.00 0.00 O ATOM 1199 CB VAL A 79 1.303 -4.503 -4.590 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.319 -3.574 -3.934 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.457 -5.207 -3.532 1.00 0.00 C ATOM 0 H VAL A 79 -0.260 -5.516 -6.506 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.081 -2.907 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 79 1.853 -5.263 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.925 -4.139 -3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.963 -3.141 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.795 -2.776 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.110 -5.730 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.137 -4.470 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.207 -5.924 -4.015 1.00 0.00 H new ATOM 1211 N ASN A 80 1.445 -1.919 -6.874 1.00 0.00 N ATOM 1212 CA ASN A 80 2.205 -1.336 -7.977 1.00 0.00 C ATOM 1213 C ASN A 80 2.790 0.049 -7.644 1.00 0.00 C ATOM 1214 O ASN A 80 2.564 0.597 -6.554 1.00 0.00 O ATOM 1215 CB ASN A 80 1.370 -1.294 -9.280 1.00 0.00 C ATOM 1216 CG ASN A 80 0.099 -0.468 -9.174 1.00 0.00 C ATOM 1217 OD1 ASN A 80 0.089 0.708 -9.455 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.983 -1.095 -8.771 1.00 0.00 N ATOM 0 H ASN A 80 1.062 -1.238 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 80 3.057 -1.997 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.988 -0.890 -10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.106 -2.313 -9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.865 -0.589 -8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.941 -2.088 -8.541 1.00 0.00 H new ATOM 1225 N GLU A 81 3.597 0.542 -8.580 1.00 0.00 N ATOM 1226 CA GLU A 81 4.287 1.805 -8.549 1.00 0.00 C ATOM 1227 C GLU A 81 3.338 2.983 -8.320 1.00 0.00 C ATOM 1228 O GLU A 81 2.253 3.042 -8.881 1.00 0.00 O ATOM 1229 CB GLU A 81 4.995 1.962 -9.912 1.00 0.00 C ATOM 1230 CG GLU A 81 5.644 3.310 -10.167 1.00 0.00 C ATOM 1231 CD GLU A 81 6.778 3.609 -9.240 1.00 0.00 C ATOM 1232 OE1 GLU A 81 6.556 3.736 -8.019 1.00 0.00 O ATOM 1233 OE2 GLU A 81 7.884 3.806 -9.715 1.00 0.00 O1- ATOM 0 H GLU A 81 3.792 0.023 -9.436 1.00 0.00 H new ATOM 0 HA GLU A 81 4.993 1.811 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.760 1.190 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.268 1.775 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.007 3.342 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.890 4.092 -10.071 1.00 0.00 H new ATOM 1240 N ALA A 82 3.782 3.910 -7.511 1.00 0.00 N ATOM 1241 CA ALA A 82 3.046 5.120 -7.251 1.00 0.00 C ATOM 1242 C ALA A 82 3.985 6.301 -7.215 1.00 0.00 C ATOM 1243 O ALA A 82 3.559 7.433 -7.023 1.00 0.00 O ATOM 1244 CB ALA A 82 2.301 5.029 -5.935 1.00 0.00 C ATOM 0 H ALA A 82 4.669 3.846 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 82 2.322 5.253 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.753 5.955 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.601 4.195 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.012 4.872 -5.124 1.00 0.00 H new ATOM 1250 N GLN A 83 5.269 6.051 -7.417 1.00 0.00 N ATOM 1251 CA GLN A 83 6.232 7.142 -7.281 1.00 0.00 C ATOM 1252 C GLN A 83 7.000 7.391 -8.586 1.00 0.00 C ATOM 1253 O GLN A 83 7.949 8.164 -8.640 1.00 0.00 O ATOM 1254 CB GLN A 83 7.124 6.895 -6.064 1.00 0.00 C ATOM 1255 CG GLN A 83 7.802 8.147 -5.523 1.00 0.00 C ATOM 1256 CD GLN A 83 8.107 8.017 -4.052 1.00 0.00 C ATOM 1257 OE1 GLN A 83 7.397 7.335 -3.325 1.00 0.00 O ATOM 1258 NE2 GLN A 83 9.147 8.656 -3.595 1.00 0.00 N ATOM 0 H GLN A 83 5.661 5.143 -7.666 1.00 0.00 H new ATOM 0 HA GLN A 83 5.700 8.075 -7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 83 6.523 6.449 -5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.890 6.167 -6.331 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.726 8.329 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.158 9.011 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.719 9.216 -4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.389 8.596 -2.606 1.00 0.00 H new ATOM 1267 N SER A 84 6.528 6.726 -9.621 1.00 0.00 N ATOM 1268 CA SER A 84 6.958 6.876 -11.013 1.00 0.00 C ATOM 1269 C SER A 84 8.479 6.886 -11.260 1.00 0.00 C ATOM 1270 O SER A 84 9.096 7.937 -11.473 1.00 0.00 O ATOM 1271 CB SER A 84 6.278 8.082 -11.654 1.00 0.00 C ATOM 1272 OG SER A 84 6.595 8.216 -13.028 1.00 0.00 O ATOM 0 H SER A 84 5.794 6.026 -9.517 1.00 0.00 H new ATOM 0 HA SER A 84 6.631 5.958 -11.502 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.198 7.989 -11.541 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.577 8.987 -11.125 1.00 0.00 H new ATOM 0 HG SER A 84 6.136 9.000 -13.395 1.00 0.00 H new ATOM 1278 N ARG A 85 9.072 5.742 -11.183 1.00 0.00 N ATOM 1279 CA ARG A 85 10.456 5.571 -11.586 1.00 0.00 C ATOM 1280 C ARG A 85 10.530 5.117 -13.036 1.00 0.00 C ATOM 1281 O ARG A 85 9.553 4.597 -13.582 1.00 0.00 O ATOM 1282 CB ARG A 85 11.209 4.580 -10.692 1.00 0.00 C ATOM 1283 CG ARG A 85 11.777 5.163 -9.401 1.00 0.00 C ATOM 1284 CD ARG A 85 10.724 5.690 -8.443 1.00 0.00 C ATOM 1285 NE ARG A 85 9.767 4.661 -8.063 1.00 0.00 N ATOM 1286 CZ ARG A 85 9.861 3.869 -7.006 1.00 0.00 C ATOM 1287 NH1 ARG A 85 11.020 3.742 -6.362 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 8.808 3.153 -6.647 1.00 0.00 N ATOM 0 H ARG A 85 8.625 4.891 -10.842 1.00 0.00 H new ATOM 0 HA ARG A 85 10.941 6.541 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.534 3.763 -10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 85 12.028 4.148 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.362 4.395 -8.895 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.463 5.972 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.210 6.080 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.196 6.522 -8.908 1.00 0.00 H new ATOM 0 HE ARG A 85 8.952 4.539 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.841 4.256 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.087 3.131 -5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.942 3.216 -7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.862 2.538 -5.835 1.00 0.00 H new TER 1302 ARG A 85