USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 622 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 Single : A 6 TYR OH : rot 180:sc= -0.108 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 15 SER OG : rot -120:sc= -4.48! USER MOD Single : A 19 GLN : amide:sc= -5.05 K(o=-5,f=-16!) USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= -1.37! (180deg=-2.5!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 35 THR OG1 : rot 31:sc= -0.618 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -1.34 (180deg=-2.42!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -105:sc= -2.1 (180deg=-6.23!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.14) USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= -2.22 (180deg=-2.83!) USER MOD Single : A 86 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.667 11.699 5.660 1.00 0.00 N ATOM 19 CA ARG A 2 -4.524 10.701 6.371 1.00 0.00 C ATOM 20 C ARG A 2 -3.993 9.294 6.092 1.00 0.00 C ATOM 21 O ARG A 2 -3.043 9.117 5.352 1.00 0.00 O ATOM 22 CB ARG A 2 -5.985 10.793 5.895 1.00 0.00 C ATOM 23 CG ARG A 2 -6.374 12.252 5.603 1.00 0.00 C ATOM 24 CD ARG A 2 -6.357 13.066 6.902 1.00 0.00 C ATOM 25 NE ARG A 2 -7.648 13.808 7.041 1.00 0.00 N ATOM 26 CZ ARG A 2 -7.967 14.793 6.224 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.165 15.167 5.253 1.00 0.00 N ATOM 28 NH2 ARG A 2 -9.105 15.409 6.384 1.00 0.00 N ATOM 0 HA ARG A 2 -4.492 10.914 7.440 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.118 10.190 4.997 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.647 10.381 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.680 12.685 4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.366 12.290 5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.211 12.405 7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.522 13.766 6.894 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.296 13.547 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.272 14.692 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.435 15.932 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.736 15.127 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.364 16.172 5.759 1.00 0.00 H new ATOM 42 N LEU A 3 -4.598 8.293 6.684 1.00 0.00 N ATOM 43 CA LEU A 3 -4.127 6.894 6.458 1.00 0.00 C ATOM 44 C LEU A 3 -5.267 6.050 5.885 1.00 0.00 C ATOM 45 O LEU A 3 -6.174 5.654 6.595 1.00 0.00 O ATOM 46 CB LEU A 3 -3.667 6.292 7.788 1.00 0.00 C ATOM 47 CG LEU A 3 -2.634 7.215 8.438 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.346 8.216 9.348 1.00 0.00 C ATOM 49 CD2 LEU A 3 -1.655 6.380 9.266 1.00 0.00 C ATOM 0 H LEU A 3 -5.396 8.386 7.313 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.296 6.903 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.520 6.159 8.453 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.235 5.305 7.622 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.088 7.753 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.611 8.874 9.811 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.044 8.810 8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.892 7.679 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.919 7.036 9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.201 5.842 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.147 5.666 8.618 1.00 0.00 H new ATOM 61 N PHE A 4 -5.221 5.768 4.608 1.00 0.00 N ATOM 62 CA PHE A 4 -6.294 4.943 3.981 1.00 0.00 C ATOM 63 C PHE A 4 -6.006 3.464 4.246 1.00 0.00 C ATOM 64 O PHE A 4 -4.865 3.066 4.394 1.00 0.00 O ATOM 65 CB PHE A 4 -6.323 5.204 2.474 1.00 0.00 C ATOM 66 CG PHE A 4 -6.882 6.585 2.218 1.00 0.00 C ATOM 67 CD1 PHE A 4 -6.052 7.706 2.330 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.229 6.741 1.874 1.00 0.00 C ATOM 69 CE1 PHE A 4 -6.570 8.986 2.097 1.00 0.00 C ATOM 70 CE2 PHE A 4 -8.748 8.021 1.640 1.00 0.00 C ATOM 71 CZ PHE A 4 -7.918 9.143 1.752 1.00 0.00 C ATOM 0 H PHE A 4 -4.485 6.075 3.972 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.262 5.208 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.318 5.123 2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.935 4.453 1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.012 7.584 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.869 5.875 1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.930 9.852 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.788 8.142 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.318 10.130 1.572 1.00 0.00 H new ATOM 81 N GLY A 5 -7.031 2.651 4.318 1.00 0.00 N ATOM 82 CA GLY A 5 -6.818 1.200 4.588 1.00 0.00 C ATOM 83 C GLY A 5 -7.482 0.357 3.498 1.00 0.00 C ATOM 84 O GLY A 5 -8.684 0.169 3.490 1.00 0.00 O ATOM 0 H GLY A 5 -8.005 2.932 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.751 0.983 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.232 0.939 5.562 1.00 0.00 H new ATOM 88 N TYR A 6 -6.699 -0.160 2.587 1.00 0.00 N ATOM 89 CA TYR A 6 -7.261 -1.008 1.497 1.00 0.00 C ATOM 90 C TYR A 6 -7.330 -2.460 1.987 1.00 0.00 C ATOM 91 O TYR A 6 -6.372 -2.984 2.527 1.00 0.00 O ATOM 92 CB TYR A 6 -6.348 -0.908 0.266 1.00 0.00 C ATOM 93 CG TYR A 6 -6.863 -1.796 -0.845 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.178 -1.664 -1.301 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.016 -2.754 -1.416 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.648 -2.491 -2.328 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.485 -3.580 -2.443 1.00 0.00 C ATOM 98 CZ TYR A 6 -7.802 -3.449 -2.899 1.00 0.00 C ATOM 99 OH TYR A 6 -8.266 -4.264 -3.912 1.00 0.00 O ATOM 0 H TYR A 6 -5.688 -0.030 2.552 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.262 -0.670 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.302 0.125 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.333 -1.201 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.831 -0.924 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.000 -2.855 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.664 -2.390 -2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.831 -4.318 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.551 -4.871 -4.196 1.00 0.00 H new ATOM 109 N ALA A 7 -8.456 -3.111 1.812 1.00 0.00 N ATOM 110 CA ALA A 7 -8.582 -4.527 2.280 1.00 0.00 C ATOM 111 C ALA A 7 -9.501 -5.324 1.345 1.00 0.00 C ATOM 112 O ALA A 7 -10.659 -4.998 1.178 1.00 0.00 O ATOM 113 CB ALA A 7 -9.169 -4.538 3.694 1.00 0.00 C ATOM 0 H ALA A 7 -9.289 -2.725 1.368 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.594 -4.988 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.263 -5.567 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.510 -3.988 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.152 -4.067 3.684 1.00 0.00 H new ATOM 119 N ARG A 8 -8.992 -6.379 0.753 1.00 0.00 N ATOM 120 CA ARG A 8 -9.832 -7.221 -0.154 1.00 0.00 C ATOM 121 C ARG A 8 -10.051 -8.583 0.511 1.00 0.00 C ATOM 122 O ARG A 8 -9.162 -9.413 0.548 1.00 0.00 O ATOM 123 CB ARG A 8 -9.120 -7.405 -1.506 1.00 0.00 C ATOM 124 CG ARG A 8 -10.054 -6.978 -2.650 1.00 0.00 C ATOM 125 CD ARG A 8 -9.979 -7.989 -3.801 1.00 0.00 C ATOM 126 NE ARG A 8 -8.551 -8.273 -4.140 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.213 -9.326 -4.860 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.114 -10.172 -5.307 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.956 -9.534 -5.132 1.00 0.00 N ATOM 0 H ARG A 8 -8.027 -6.693 0.860 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.792 -6.735 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.206 -6.811 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.827 -8.447 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.079 -6.907 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.773 -5.987 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.485 -8.912 -3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.498 -7.596 -4.675 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.823 -7.640 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.101 -10.022 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.826 -10.978 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.246 -8.887 -4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.682 -10.344 -5.688 1.00 0.00 H new ATOM 143 N VAL A 9 -11.220 -8.806 1.061 1.00 0.00 N ATOM 144 CA VAL A 9 -11.498 -10.098 1.757 1.00 0.00 C ATOM 145 C VAL A 9 -11.297 -11.279 0.806 1.00 0.00 C ATOM 146 O VAL A 9 -11.524 -11.183 -0.384 1.00 0.00 O ATOM 147 CB VAL A 9 -12.936 -10.106 2.278 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.097 -9.015 3.338 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.902 -9.837 1.129 1.00 0.00 C ATOM 0 H VAL A 9 -11.996 -8.144 1.057 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.803 -10.196 2.591 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.155 -11.080 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.121 -9.018 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.410 -9.205 4.163 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.875 -8.043 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.925 -9.844 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.683 -8.864 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.789 -10.611 0.370 1.00 0.00 H new ATOM 159 N SER A 10 -10.874 -12.396 1.341 1.00 0.00 N ATOM 160 CA SER A 10 -10.651 -13.603 0.500 1.00 0.00 C ATOM 161 C SER A 10 -11.550 -14.739 0.996 1.00 0.00 C ATOM 162 O SER A 10 -12.115 -15.480 0.214 1.00 0.00 O ATOM 163 CB SER A 10 -9.188 -14.031 0.602 1.00 0.00 C ATOM 164 OG SER A 10 -8.804 -14.681 -0.602 1.00 0.00 O ATOM 0 H SER A 10 -10.673 -12.521 2.333 1.00 0.00 H new ATOM 0 HA SER A 10 -10.891 -13.374 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.554 -13.162 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.052 -14.702 1.450 1.00 0.00 H new ATOM 0 HG SER A 10 -7.865 -14.955 -0.541 1.00 0.00 H new ATOM 170 N THR A 11 -11.688 -14.877 2.293 1.00 0.00 N ATOM 171 CA THR A 11 -12.551 -15.963 2.847 1.00 0.00 C ATOM 172 C THR A 11 -13.985 -15.449 2.996 1.00 0.00 C ATOM 173 O THR A 11 -14.227 -14.257 3.016 1.00 0.00 O ATOM 174 CB THR A 11 -12.017 -16.404 4.216 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.878 -17.396 4.757 1.00 0.00 O ATOM 176 CG2 THR A 11 -11.954 -15.210 5.170 1.00 0.00 C ATOM 0 H THR A 11 -11.239 -14.283 2.991 1.00 0.00 H new ATOM 0 HA THR A 11 -12.539 -16.815 2.167 1.00 0.00 H new ATOM 0 HB THR A 11 -11.013 -16.811 4.093 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.539 -17.682 5.631 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.573 -15.537 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.291 -14.449 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.953 -14.792 5.296 1.00 0.00 H new ATOM 184 N SER A 12 -14.936 -16.343 3.101 1.00 0.00 N ATOM 185 CA SER A 12 -16.359 -15.920 3.249 1.00 0.00 C ATOM 186 C SER A 12 -16.827 -16.192 4.681 1.00 0.00 C ATOM 187 O SER A 12 -17.402 -17.225 4.968 1.00 0.00 O ATOM 188 CB SER A 12 -17.231 -16.709 2.272 1.00 0.00 C ATOM 189 OG SER A 12 -17.147 -16.115 0.983 1.00 0.00 O ATOM 0 H SER A 12 -14.786 -17.352 3.090 1.00 0.00 H new ATOM 0 HA SER A 12 -16.444 -14.855 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.901 -17.747 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.266 -16.717 2.615 1.00 0.00 H new ATOM 0 HG SER A 12 -17.704 -16.619 0.353 1.00 0.00 H new ATOM 195 N GLN A 13 -16.581 -15.270 5.579 1.00 0.00 N ATOM 196 CA GLN A 13 -17.007 -15.465 6.996 1.00 0.00 C ATOM 197 C GLN A 13 -16.835 -14.154 7.763 1.00 0.00 C ATOM 198 O GLN A 13 -17.789 -13.595 8.273 1.00 0.00 O ATOM 199 CB GLN A 13 -16.148 -16.554 7.643 1.00 0.00 C ATOM 200 CG GLN A 13 -16.928 -17.211 8.782 1.00 0.00 C ATOM 201 CD GLN A 13 -16.408 -18.633 9.004 1.00 0.00 C ATOM 202 OE1 GLN A 13 -17.125 -19.593 8.801 1.00 0.00 O ATOM 203 NE2 GLN A 13 -15.182 -18.809 9.414 1.00 0.00 N ATOM 0 H GLN A 13 -16.102 -14.389 5.389 1.00 0.00 H new ATOM 0 HA GLN A 13 -18.054 -15.767 7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.870 -17.302 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.222 -16.123 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.820 -16.626 9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.991 -17.235 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.581 -18.003 9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.825 -19.753 9.564 1.00 0.00 H new ATOM 212 N GLN A 14 -15.624 -13.662 7.851 1.00 0.00 N ATOM 213 CA GLN A 14 -15.380 -12.387 8.585 1.00 0.00 C ATOM 214 C GLN A 14 -14.028 -11.808 8.167 1.00 0.00 C ATOM 215 O GLN A 14 -13.349 -11.173 8.950 1.00 0.00 O ATOM 216 CB GLN A 14 -15.374 -12.658 10.092 1.00 0.00 C ATOM 217 CG GLN A 14 -14.358 -13.755 10.413 1.00 0.00 C ATOM 218 CD GLN A 14 -14.075 -13.766 11.916 1.00 0.00 C ATOM 219 OE1 GLN A 14 -14.312 -14.754 12.583 1.00 0.00 O ATOM 220 NE2 GLN A 14 -13.576 -12.702 12.482 1.00 0.00 N ATOM 0 H GLN A 14 -14.793 -14.091 7.444 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.170 -11.675 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.123 -11.746 10.634 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.368 -12.962 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.743 -14.725 10.098 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.435 -13.583 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.377 -11.873 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.385 -12.699 13.484 1.00 0.00 H new ATOM 229 N SER A 15 -13.632 -12.027 6.936 1.00 0.00 N ATOM 230 CA SER A 15 -12.320 -11.496 6.458 1.00 0.00 C ATOM 231 C SER A 15 -12.292 -9.972 6.594 1.00 0.00 C ATOM 232 O SER A 15 -11.334 -9.409 7.088 1.00 0.00 O ATOM 233 CB SER A 15 -12.110 -11.890 4.993 1.00 0.00 C ATOM 234 OG SER A 15 -10.937 -12.684 4.886 1.00 0.00 O ATOM 0 H SER A 15 -14.163 -12.552 6.242 1.00 0.00 H new ATOM 0 HA SER A 15 -11.520 -11.920 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.974 -12.445 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.017 -10.998 4.374 1.00 0.00 H new ATOM 0 HG SER A 15 -10.297 -12.243 4.289 1.00 0.00 H new ATOM 240 N LEU A 16 -13.339 -9.299 6.162 1.00 0.00 N ATOM 241 CA LEU A 16 -13.387 -7.801 6.258 1.00 0.00 C ATOM 242 C LEU A 16 -13.019 -7.357 7.683 1.00 0.00 C ATOM 243 O LEU A 16 -12.259 -6.424 7.870 1.00 0.00 O ATOM 244 CB LEU A 16 -14.801 -7.313 5.891 1.00 0.00 C ATOM 245 CG LEU A 16 -14.926 -5.798 6.101 1.00 0.00 C ATOM 246 CD1 LEU A 16 -14.036 -5.071 5.097 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.382 -5.372 5.895 1.00 0.00 C ATOM 0 H LEU A 16 -14.166 -9.727 5.745 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.668 -7.366 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.017 -7.560 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.540 -7.832 6.502 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.614 -5.544 7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.124 -3.995 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.999 -5.374 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.348 -5.324 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.471 -4.296 6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.695 -5.625 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.018 -5.891 6.612 1.00 0.00 H new ATOM 259 N ASP A 17 -13.533 -8.031 8.678 1.00 0.00 N ATOM 260 CA ASP A 17 -13.196 -7.663 10.081 1.00 0.00 C ATOM 261 C ASP A 17 -11.710 -7.948 10.307 1.00 0.00 C ATOM 262 O ASP A 17 -11.008 -7.182 10.935 1.00 0.00 O ATOM 263 CB ASP A 17 -14.039 -8.502 11.050 1.00 0.00 C ATOM 264 CG ASP A 17 -14.545 -7.618 12.193 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.808 -7.441 13.149 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.660 -7.134 12.093 1.00 0.00 O ATOM 0 H ASP A 17 -14.171 -8.820 8.578 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.406 -6.608 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.882 -8.948 10.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.443 -9.323 11.449 1.00 0.00 H new ATOM 271 N ILE A 18 -11.236 -9.047 9.784 1.00 0.00 N ATOM 272 CA ILE A 18 -9.800 -9.411 9.944 1.00 0.00 C ATOM 273 C ILE A 18 -8.924 -8.421 9.163 1.00 0.00 C ATOM 274 O ILE A 18 -7.849 -8.059 9.602 1.00 0.00 O ATOM 275 CB ILE A 18 -9.576 -10.831 9.414 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.514 -11.803 10.140 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.125 -11.253 9.663 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.867 -12.975 9.217 1.00 0.00 C ATOM 0 H ILE A 18 -11.789 -9.715 9.247 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.529 -9.370 10.999 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.783 -10.850 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.036 -12.174 11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.422 -11.284 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.970 -12.263 9.285 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.453 -10.566 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.918 -11.230 10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.533 -13.661 9.739 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.363 -12.597 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.956 -13.501 8.932 1.00 0.00 H new ATOM 290 N GLN A 19 -9.374 -7.980 8.010 1.00 0.00 N ATOM 291 CA GLN A 19 -8.556 -7.011 7.209 1.00 0.00 C ATOM 292 C GLN A 19 -8.502 -5.672 7.938 1.00 0.00 C ATOM 293 O GLN A 19 -7.441 -5.125 8.167 1.00 0.00 O ATOM 294 CB GLN A 19 -9.157 -6.783 5.811 1.00 0.00 C ATOM 295 CG GLN A 19 -9.755 -8.076 5.249 1.00 0.00 C ATOM 296 CD GLN A 19 -9.488 -8.147 3.746 1.00 0.00 C ATOM 297 OE1 GLN A 19 -10.119 -7.451 2.977 1.00 0.00 O ATOM 298 NE2 GLN A 19 -8.572 -8.958 3.291 1.00 0.00 N ATOM 0 H GLN A 19 -10.265 -8.247 7.592 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.557 -7.432 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.929 -6.015 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.385 -6.413 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.316 -8.940 5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.828 -8.107 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.042 -9.543 3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.386 -9.007 2.289 1.00 0.00 H new ATOM 307 N VAL A 20 -9.642 -5.136 8.307 1.00 0.00 N ATOM 308 CA VAL A 20 -9.668 -3.822 9.025 1.00 0.00 C ATOM 309 C VAL A 20 -8.737 -3.889 10.246 1.00 0.00 C ATOM 310 O VAL A 20 -7.951 -2.996 10.479 1.00 0.00 O ATOM 311 CB VAL A 20 -11.113 -3.513 9.459 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.157 -2.264 10.350 1.00 0.00 C ATOM 313 CG2 VAL A 20 -11.972 -3.273 8.215 1.00 0.00 C ATOM 0 H VAL A 20 -10.558 -5.554 8.141 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.320 -3.027 8.366 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.497 -4.361 10.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.187 -2.064 10.645 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.550 -2.430 11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.765 -1.410 9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.996 -3.054 8.517 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.571 -2.430 7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.961 -4.165 7.588 1.00 0.00 H new ATOM 323 N ARG A 21 -8.814 -4.949 11.013 1.00 0.00 N ATOM 324 CA ARG A 21 -7.922 -5.080 12.207 1.00 0.00 C ATOM 325 C ARG A 21 -6.464 -5.054 11.747 1.00 0.00 C ATOM 326 O ARG A 21 -5.628 -4.408 12.345 1.00 0.00 O ATOM 327 CB ARG A 21 -8.206 -6.405 12.923 1.00 0.00 C ATOM 328 CG ARG A 21 -9.706 -6.530 13.225 1.00 0.00 C ATOM 329 CD ARG A 21 -9.953 -6.331 14.725 1.00 0.00 C ATOM 330 NE ARG A 21 -9.976 -4.869 15.038 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.986 -4.102 14.672 1.00 0.00 C ATOM 332 NH1 ARG A 21 -12.015 -4.589 14.014 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.963 -2.833 14.969 1.00 0.00 N ATOM 0 H ARG A 21 -9.455 -5.728 10.864 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.109 -4.254 12.893 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.881 -7.240 12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.635 -6.456 13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.264 -5.788 12.654 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.068 -7.510 12.914 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.899 -6.790 15.012 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.171 -6.825 15.302 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.194 -4.455 15.546 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.045 -5.580 13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.783 -3.976 13.742 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.170 -2.443 15.479 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.738 -2.230 14.692 1.00 0.00 H new ATOM 347 N ALA A 22 -6.161 -5.748 10.678 1.00 0.00 N ATOM 348 CA ALA A 22 -4.764 -5.766 10.158 1.00 0.00 C ATOM 349 C ALA A 22 -4.370 -4.349 9.729 1.00 0.00 C ATOM 350 O ALA A 22 -3.264 -3.900 9.972 1.00 0.00 O ATOM 351 CB ALA A 22 -4.684 -6.709 8.954 1.00 0.00 C ATOM 0 H ALA A 22 -6.827 -6.305 10.142 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.084 -6.114 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.664 -6.725 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.972 -7.715 9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.359 -6.360 8.173 1.00 0.00 H new ATOM 357 N LEU A 23 -5.276 -3.644 9.099 1.00 0.00 N ATOM 358 CA LEU A 23 -4.973 -2.253 8.652 1.00 0.00 C ATOM 359 C LEU A 23 -4.871 -1.341 9.876 1.00 0.00 C ATOM 360 O LEU A 23 -3.925 -0.591 10.028 1.00 0.00 O ATOM 361 CB LEU A 23 -6.092 -1.747 7.737 1.00 0.00 C ATOM 362 CG LEU A 23 -6.350 -2.748 6.605 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.805 -2.631 6.140 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.420 -2.434 5.436 1.00 0.00 C ATOM 0 H LEU A 23 -6.215 -3.974 8.875 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.030 -2.247 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.004 -1.599 8.315 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.819 -0.778 7.319 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.164 -3.760 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.988 -3.343 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.472 -2.847 6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.991 -1.620 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.599 -3.143 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.612 -1.422 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.384 -2.513 5.764 1.00 0.00 H new ATOM 376 N LYS A 24 -5.844 -1.402 10.751 1.00 0.00 N ATOM 377 CA LYS A 24 -5.822 -0.546 11.975 1.00 0.00 C ATOM 378 C LYS A 24 -4.588 -0.890 12.811 1.00 0.00 C ATOM 379 O LYS A 24 -3.966 -0.022 13.395 1.00 0.00 O ATOM 380 CB LYS A 24 -7.088 -0.791 12.805 1.00 0.00 C ATOM 381 CG LYS A 24 -8.338 -0.704 11.911 1.00 0.00 C ATOM 382 CD LYS A 24 -9.194 0.511 12.300 1.00 0.00 C ATOM 383 CE LYS A 24 -10.648 0.083 12.548 1.00 0.00 C ATOM 384 NZ LYS A 24 -11.076 0.536 13.904 1.00 0.00 N ATOM 0 H LYS A 24 -6.657 -2.012 10.668 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.785 0.503 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.038 -1.772 13.277 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.154 -0.055 13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.040 -0.627 10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.926 -1.617 12.008 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.788 0.978 13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.158 1.258 11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.300 0.513 11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.738 -1.000 12.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.037 0.930 13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.068 -0.272 14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.421 1.267 14.249 1.00 0.00 H new ATOM 398 N ASP A 25 -4.217 -2.150 12.858 1.00 0.00 N ATOM 399 CA ASP A 25 -3.009 -2.554 13.640 1.00 0.00 C ATOM 400 C ASP A 25 -1.806 -1.778 13.115 1.00 0.00 C ATOM 401 O ASP A 25 -1.017 -1.236 13.868 1.00 0.00 O ATOM 402 CB ASP A 25 -2.758 -4.047 13.449 1.00 0.00 C ATOM 403 CG ASP A 25 -1.899 -4.576 14.600 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.287 -4.384 15.740 1.00 0.00 O ATOM 405 OD2 ASP A 25 -0.866 -5.164 14.323 1.00 0.00 O ATOM 0 H ASP A 25 -4.701 -2.914 12.387 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.164 -2.342 14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.706 -4.584 13.413 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.256 -4.223 12.497 1.00 0.00 H new ATOM 410 N ALA A 26 -1.679 -1.713 11.817 1.00 0.00 N ATOM 411 CA ALA A 26 -0.553 -0.966 11.203 1.00 0.00 C ATOM 412 C ALA A 26 -0.702 0.521 11.535 1.00 0.00 C ATOM 413 O ALA A 26 0.273 1.240 11.646 1.00 0.00 O ATOM 414 CB ALA A 26 -0.594 -1.166 9.690 1.00 0.00 C ATOM 0 H ALA A 26 -2.316 -2.152 11.152 1.00 0.00 H new ATOM 0 HA ALA A 26 0.398 -1.329 11.591 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.230 -0.621 9.229 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.500 -2.227 9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.540 -0.792 9.299 1.00 0.00 H new ATOM 420 N GLY A 27 -1.920 0.982 11.701 1.00 0.00 N ATOM 421 CA GLY A 27 -2.141 2.420 12.034 1.00 0.00 C ATOM 422 C GLY A 27 -2.995 3.077 10.950 1.00 0.00 C ATOM 423 O GLY A 27 -2.709 4.175 10.511 1.00 0.00 O ATOM 0 H GLY A 27 -2.769 0.422 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.635 2.507 13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.184 2.935 12.118 1.00 0.00 H new ATOM 427 N VAL A 28 -4.042 2.418 10.517 1.00 0.00 N ATOM 428 CA VAL A 28 -4.914 3.009 9.461 1.00 0.00 C ATOM 429 C VAL A 28 -6.131 3.681 10.126 1.00 0.00 C ATOM 430 O VAL A 28 -6.456 3.404 11.265 1.00 0.00 O ATOM 431 CB VAL A 28 -5.326 1.894 8.455 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.736 1.337 8.723 1.00 0.00 C ATOM 433 CG2 VAL A 28 -5.283 2.464 7.035 1.00 0.00 C ATOM 0 H VAL A 28 -4.328 1.497 10.850 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.381 3.777 8.901 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.621 1.072 8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.967 0.564 7.990 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.774 0.910 9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.466 2.142 8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.570 1.690 6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.975 3.302 6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.273 2.806 6.811 1.00 0.00 H new ATOM 443 N LYS A 29 -6.798 4.554 9.416 1.00 0.00 N ATOM 444 CA LYS A 29 -7.990 5.240 9.990 1.00 0.00 C ATOM 445 C LYS A 29 -9.229 4.375 9.764 1.00 0.00 C ATOM 446 O LYS A 29 -9.543 4.015 8.646 1.00 0.00 O ATOM 447 CB LYS A 29 -8.192 6.585 9.286 1.00 0.00 C ATOM 448 CG LYS A 29 -6.999 7.499 9.568 1.00 0.00 C ATOM 449 CD LYS A 29 -7.037 7.966 11.023 1.00 0.00 C ATOM 450 CE LYS A 29 -7.624 9.376 11.101 1.00 0.00 C ATOM 451 NZ LYS A 29 -6.970 10.127 12.209 1.00 0.00 N ATOM 0 H LYS A 29 -6.566 4.821 8.459 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.836 5.399 11.057 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.299 6.432 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.112 7.054 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.068 6.968 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.023 8.360 8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.638 7.279 11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.031 7.957 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.473 9.897 10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.700 9.325 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.369 11.086 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.136 9.633 13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.947 10.187 12.031 1.00 0.00 H new ATOM 465 N ALA A 30 -9.948 4.050 10.813 1.00 0.00 N ATOM 466 CA ALA A 30 -11.183 3.222 10.648 1.00 0.00 C ATOM 467 C ALA A 30 -12.171 3.975 9.759 1.00 0.00 C ATOM 468 O ALA A 30 -12.956 3.380 9.045 1.00 0.00 O ATOM 469 CB ALA A 30 -11.820 2.961 12.011 1.00 0.00 C ATOM 0 H ALA A 30 -9.733 4.322 11.772 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.923 2.268 10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.719 2.358 11.883 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.113 2.429 12.647 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.084 3.910 12.477 1.00 0.00 H new ATOM 475 N ASN A 31 -12.120 5.284 9.782 1.00 0.00 N ATOM 476 CA ASN A 31 -13.031 6.087 8.927 1.00 0.00 C ATOM 477 C ASN A 31 -12.569 5.976 7.468 1.00 0.00 C ATOM 478 O ASN A 31 -13.345 6.156 6.548 1.00 0.00 O ATOM 479 CB ASN A 31 -12.978 7.552 9.383 1.00 0.00 C ATOM 480 CG ASN A 31 -14.396 8.071 9.627 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.831 9.011 8.992 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.137 7.492 10.530 1.00 0.00 N ATOM 0 H ASN A 31 -11.481 5.828 10.361 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.054 5.719 9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.388 7.637 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.484 8.160 8.626 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.084 7.828 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.770 6.703 11.062 1.00 0.00 H new ATOM 489 N ARG A 32 -11.309 5.674 7.253 1.00 0.00 N ATOM 490 CA ARG A 32 -10.789 5.543 5.859 1.00 0.00 C ATOM 491 C ARG A 32 -10.428 4.077 5.596 1.00 0.00 C ATOM 492 O ARG A 32 -9.306 3.749 5.259 1.00 0.00 O ATOM 493 CB ARG A 32 -9.544 6.428 5.663 1.00 0.00 C ATOM 494 CG ARG A 32 -9.691 7.743 6.439 1.00 0.00 C ATOM 495 CD ARG A 32 -8.441 8.603 6.249 1.00 0.00 C ATOM 496 NE ARG A 32 -8.847 10.022 6.009 1.00 0.00 N ATOM 497 CZ ARG A 32 -9.448 10.387 4.893 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.715 9.524 3.942 1.00 0.00 N ATOM 499 NH2 ARG A 32 -9.783 11.638 4.731 1.00 0.00 N ATOM 0 H ARG A 32 -10.619 5.513 7.987 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.558 5.868 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.655 5.896 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.404 6.638 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.571 8.284 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.842 7.535 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.805 8.539 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.856 8.233 5.407 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.655 10.723 6.724 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.457 8.544 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.181 9.833 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.579 12.319 5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.248 11.934 3.873 1.00 0.00 H new ATOM 513 N ILE A 33 -11.385 3.197 5.741 1.00 0.00 N ATOM 514 CA ILE A 33 -11.129 1.748 5.497 1.00 0.00 C ATOM 515 C ILE A 33 -11.759 1.369 4.154 1.00 0.00 C ATOM 516 O ILE A 33 -12.885 0.911 4.093 1.00 0.00 O ATOM 517 CB ILE A 33 -11.758 0.926 6.635 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.078 1.290 7.961 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.606 -0.582 6.368 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.588 0.927 7.923 1.00 0.00 C ATOM 0 H ILE A 33 -12.340 3.423 6.020 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.059 1.543 5.469 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.821 1.159 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.193 2.357 8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.565 0.764 8.782 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.058 -1.144 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.104 -0.838 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.548 -0.834 6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.124 1.193 8.873 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.479 -0.144 7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.101 1.474 7.116 1.00 0.00 H new ATOM 532 N PHE A 34 -11.041 1.570 3.079 1.00 0.00 N ATOM 533 CA PHE A 34 -11.592 1.237 1.734 1.00 0.00 C ATOM 534 C PHE A 34 -11.423 -0.261 1.475 1.00 0.00 C ATOM 535 O PHE A 34 -10.435 -0.701 0.917 1.00 0.00 O ATOM 536 CB PHE A 34 -10.844 2.048 0.664 1.00 0.00 C ATOM 537 CG PHE A 34 -11.793 3.028 0.014 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.932 2.562 -0.653 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.536 4.402 0.081 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.812 3.467 -1.253 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.416 5.309 -0.521 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.556 4.842 -1.187 1.00 0.00 C ATOM 0 H PHE A 34 -10.095 1.951 3.076 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.652 1.487 1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.008 2.582 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.426 1.379 -0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.131 1.502 -0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.659 4.763 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.690 3.106 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.216 6.369 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.237 5.542 -1.649 1.00 0.00 H new ATOM 552 N THR A 35 -12.384 -1.043 1.883 1.00 0.00 N ATOM 553 CA THR A 35 -12.298 -2.515 1.675 1.00 0.00 C ATOM 554 C THR A 35 -13.106 -2.912 0.439 1.00 0.00 C ATOM 555 O THR A 35 -14.065 -2.260 0.072 1.00 0.00 O ATOM 556 CB THR A 35 -12.860 -3.239 2.901 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.823 -4.640 2.670 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.308 -2.798 3.161 1.00 0.00 C ATOM 0 H THR A 35 -13.230 -0.723 2.354 1.00 0.00 H new ATOM 0 HA THR A 35 -11.255 -2.795 1.530 1.00 0.00 H new ATOM 0 HB THR A 35 -12.256 -2.990 3.774 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.062 -4.856 2.091 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.696 -3.320 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.335 -1.723 3.339 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.923 -3.037 2.293 1.00 0.00 H new ATOM 566 N ASP A 36 -12.726 -3.989 -0.192 1.00 0.00 N ATOM 567 CA ASP A 36 -13.461 -4.462 -1.396 1.00 0.00 C ATOM 568 C ASP A 36 -14.042 -5.843 -1.096 1.00 0.00 C ATOM 569 O ASP A 36 -13.354 -6.843 -1.177 1.00 0.00 O ATOM 570 CB ASP A 36 -12.493 -4.549 -2.577 1.00 0.00 C ATOM 571 CG ASP A 36 -12.172 -3.140 -3.071 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.850 -2.305 -2.244 1.00 0.00 O ATOM 573 OD2 ASP A 36 -12.257 -2.918 -4.267 1.00 0.00 O ATOM 0 H ASP A 36 -11.930 -4.566 0.079 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.265 -3.770 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.578 -5.058 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.935 -5.137 -3.382 1.00 0.00 H new ATOM 578 N LYS A 37 -15.301 -5.903 -0.733 1.00 0.00 N ATOM 579 CA LYS A 37 -15.932 -7.217 -0.408 1.00 0.00 C ATOM 580 C LYS A 37 -15.886 -8.133 -1.635 1.00 0.00 C ATOM 581 O LYS A 37 -16.801 -8.165 -2.436 1.00 0.00 O ATOM 582 CB LYS A 37 -17.385 -6.997 0.023 1.00 0.00 C ATOM 583 CG LYS A 37 -17.427 -6.048 1.225 1.00 0.00 C ATOM 584 CD LYS A 37 -17.241 -6.838 2.527 1.00 0.00 C ATOM 585 CE LYS A 37 -18.604 -7.305 3.044 1.00 0.00 C ATOM 586 NZ LYS A 37 -19.104 -8.423 2.197 1.00 0.00 N ATOM 0 H LYS A 37 -15.918 -5.096 -0.648 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.383 -7.688 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.961 -6.579 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.846 -7.950 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.644 -5.296 1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.378 -5.517 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.593 -7.697 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.751 -6.215 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.519 -7.631 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.313 -6.478 3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.792 -8.986 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.563 -8.037 1.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.307 -9.028 1.915 1.00 0.00 H new ATOM 600 N ALA A 38 -14.821 -8.877 -1.780 1.00 0.00 N ATOM 601 CA ALA A 38 -14.679 -9.803 -2.940 1.00 0.00 C ATOM 602 C ALA A 38 -15.479 -11.085 -2.673 1.00 0.00 C ATOM 603 O ALA A 38 -14.938 -12.177 -2.671 1.00 0.00 O ATOM 604 CB ALA A 38 -13.196 -10.146 -3.117 1.00 0.00 C ATOM 0 H ALA A 38 -14.032 -8.881 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.059 -9.329 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.078 -10.823 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.631 -9.232 -3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.823 -10.627 -2.212 1.00 0.00 H new ATOM 661 N ASP A 44 -14.880 -7.697 -6.343 1.00 0.00 N ATOM 662 CA ASP A 44 -15.530 -6.357 -6.240 1.00 0.00 C ATOM 663 C ASP A 44 -14.453 -5.278 -6.089 1.00 0.00 C ATOM 664 O ASP A 44 -14.339 -4.638 -5.060 1.00 0.00 O ATOM 665 CB ASP A 44 -16.462 -6.337 -5.024 1.00 0.00 C ATOM 666 CG ASP A 44 -17.567 -7.378 -5.211 1.00 0.00 C ATOM 667 OD1 ASP A 44 -17.236 -8.534 -5.412 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.726 -7.001 -5.149 1.00 0.00 O ATOM 0 HA ASP A 44 -16.110 -6.160 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.897 -6.550 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.898 -5.346 -4.903 1.00 0.00 H new ATOM 673 N ARG A 45 -13.662 -5.073 -7.112 1.00 0.00 N ATOM 674 CA ARG A 45 -12.588 -4.037 -7.046 1.00 0.00 C ATOM 675 C ARG A 45 -13.227 -2.643 -7.097 1.00 0.00 C ATOM 676 O ARG A 45 -13.033 -1.893 -8.037 1.00 0.00 O ATOM 677 CB ARG A 45 -11.638 -4.217 -8.232 1.00 0.00 C ATOM 678 CG ARG A 45 -10.248 -3.697 -7.858 1.00 0.00 C ATOM 679 CD ARG A 45 -9.332 -3.764 -9.081 1.00 0.00 C ATOM 680 NE ARG A 45 -8.994 -5.191 -9.373 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.186 -5.880 -8.589 1.00 0.00 C ATOM 682 NH1 ARG A 45 -7.645 -5.347 -7.518 1.00 0.00 N ATOM 683 NH2 ARG A 45 -7.918 -7.122 -8.886 1.00 0.00 N ATOM 0 H ARG A 45 -13.715 -5.582 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.027 -4.143 -6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.581 -5.270 -8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.018 -3.679 -9.100 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.317 -2.671 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.832 -4.293 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.824 -3.312 -9.942 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.421 -3.193 -8.898 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.396 -5.641 -10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.846 -4.377 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.024 -5.903 -6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.331 -7.549 -9.715 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.295 -7.666 -8.289 1.00 0.00 H new ATOM 697 N LYS A 46 -13.989 -2.296 -6.090 1.00 0.00 N ATOM 698 CA LYS A 46 -14.645 -0.957 -6.067 1.00 0.00 C ATOM 699 C LYS A 46 -13.907 -0.045 -5.091 1.00 0.00 C ATOM 700 O LYS A 46 -13.579 1.080 -5.413 1.00 0.00 O ATOM 701 CB LYS A 46 -16.098 -1.108 -5.619 1.00 0.00 C ATOM 702 CG LYS A 46 -16.936 -1.621 -6.790 1.00 0.00 C ATOM 703 CD LYS A 46 -18.387 -1.172 -6.619 1.00 0.00 C ATOM 704 CE LYS A 46 -19.022 -0.984 -7.996 1.00 0.00 C ATOM 705 NZ LYS A 46 -20.463 -0.638 -7.838 1.00 0.00 N ATOM 0 H LYS A 46 -14.184 -2.886 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.615 -0.522 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.162 -1.801 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.485 -0.150 -5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.536 -1.241 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.885 -2.709 -6.838 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.944 -1.914 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.427 -0.239 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.505 -0.194 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.919 -1.897 -8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.894 -0.510 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.951 -1.406 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.551 0.244 -7.294 1.00 0.00 H new ATOM 719 N GLY A 47 -13.637 -0.519 -3.898 1.00 0.00 N ATOM 720 CA GLY A 47 -12.917 0.323 -2.893 1.00 0.00 C ATOM 721 C GLY A 47 -11.602 0.834 -3.493 1.00 0.00 C ATOM 722 O GLY A 47 -11.215 1.964 -3.279 1.00 0.00 O ATOM 0 H GLY A 47 -13.885 -1.455 -3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.543 1.164 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.715 -0.259 -1.994 1.00 0.00 H new ATOM 726 N LEU A 48 -10.930 0.009 -4.252 1.00 0.00 N ATOM 727 CA LEU A 48 -9.650 0.435 -4.890 1.00 0.00 C ATOM 728 C LEU A 48 -9.973 1.397 -6.037 1.00 0.00 C ATOM 729 O LEU A 48 -9.352 2.434 -6.184 1.00 0.00 O ATOM 730 CB LEU A 48 -8.922 -0.807 -5.421 1.00 0.00 C ATOM 731 CG LEU A 48 -7.642 -0.417 -6.164 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.642 -1.571 -6.076 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.967 -0.141 -7.634 1.00 0.00 C ATOM 0 H LEU A 48 -11.215 -0.948 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.008 0.940 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.678 -1.472 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.581 -1.361 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.215 0.479 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.727 -1.301 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.412 -1.774 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.074 -2.462 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.055 0.137 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.391 -1.037 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.687 0.674 -7.700 1.00 0.00 H new ATOM 745 N ASP A 49 -10.951 1.061 -6.843 1.00 0.00 N ATOM 746 CA ASP A 49 -11.335 1.951 -7.981 1.00 0.00 C ATOM 747 C ASP A 49 -11.770 3.310 -7.427 1.00 0.00 C ATOM 748 O ASP A 49 -11.587 4.336 -8.057 1.00 0.00 O ATOM 749 CB ASP A 49 -12.495 1.314 -8.757 1.00 0.00 C ATOM 750 CG ASP A 49 -11.963 0.653 -10.030 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.055 -0.154 -9.921 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.470 0.970 -11.094 1.00 0.00 O ATOM 0 H ASP A 49 -11.501 0.206 -6.761 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.485 2.084 -8.651 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.998 0.574 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.235 2.073 -9.012 1.00 0.00 H new ATOM 757 N LEU A 50 -12.337 3.321 -6.246 1.00 0.00 N ATOM 758 CA LEU A 50 -12.778 4.603 -5.632 1.00 0.00 C ATOM 759 C LEU A 50 -11.622 5.202 -4.825 1.00 0.00 C ATOM 760 O LEU A 50 -11.529 6.404 -4.664 1.00 0.00 O ATOM 761 CB LEU A 50 -13.980 4.345 -4.721 1.00 0.00 C ATOM 762 CG LEU A 50 -15.109 3.716 -5.540 1.00 0.00 C ATOM 763 CD1 LEU A 50 -16.242 3.284 -4.608 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.642 4.737 -6.548 1.00 0.00 C ATOM 0 H LEU A 50 -12.513 2.490 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.070 5.306 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.696 3.683 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.318 5.279 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.725 2.846 -6.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -17.045 2.836 -5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.865 2.554 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -16.625 4.153 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.446 4.287 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.023 5.609 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.837 5.043 -7.216 1.00 0.00 H new ATOM 776 N LEU A 51 -10.723 4.374 -4.333 1.00 0.00 N ATOM 777 CA LEU A 51 -9.554 4.898 -3.557 1.00 0.00 C ATOM 778 C LEU A 51 -8.750 5.830 -4.467 1.00 0.00 C ATOM 779 O LEU A 51 -8.176 6.807 -4.026 1.00 0.00 O ATOM 780 CB LEU A 51 -8.668 3.732 -3.100 1.00 0.00 C ATOM 781 CG LEU A 51 -7.749 4.187 -1.959 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.560 4.333 -0.673 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.651 3.144 -1.738 1.00 0.00 C ATOM 0 H LEU A 51 -10.752 3.360 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.902 5.439 -2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.290 2.901 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.071 3.369 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.301 5.145 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.905 4.656 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.346 5.073 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.009 3.374 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.999 3.468 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.105 2.188 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.066 3.032 -2.651 1.00 0.00 H new ATOM 795 N ARG A 52 -8.729 5.535 -5.744 1.00 0.00 N ATOM 796 CA ARG A 52 -7.991 6.397 -6.709 1.00 0.00 C ATOM 797 C ARG A 52 -8.637 7.789 -6.742 1.00 0.00 C ATOM 798 O ARG A 52 -8.002 8.767 -7.091 1.00 0.00 O ATOM 799 CB ARG A 52 -8.060 5.768 -8.103 1.00 0.00 C ATOM 800 CG ARG A 52 -6.999 4.668 -8.225 1.00 0.00 C ATOM 801 CD ARG A 52 -7.586 3.464 -8.967 1.00 0.00 C ATOM 802 NE ARG A 52 -7.748 3.799 -10.414 1.00 0.00 N ATOM 803 CZ ARG A 52 -6.717 3.819 -11.235 1.00 0.00 C ATOM 804 NH1 ARG A 52 -5.500 3.548 -10.818 1.00 0.00 N ATOM 805 NH2 ARG A 52 -6.907 4.115 -12.492 1.00 0.00 N ATOM 0 H ARG A 52 -9.196 4.728 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.949 6.487 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.052 5.351 -8.276 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.897 6.530 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.128 5.047 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.659 4.366 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.931 2.600 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.550 3.192 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.677 4.017 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.337 3.315 -9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.719 3.570 -11.474 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.846 4.328 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.117 4.134 -13.137 1.00 0.00 H new ATOM 819 N MET A 53 -9.898 7.883 -6.386 1.00 0.00 N ATOM 820 CA MET A 53 -10.592 9.206 -6.399 1.00 0.00 C ATOM 821 C MET A 53 -10.884 9.672 -4.963 1.00 0.00 C ATOM 822 O MET A 53 -11.623 10.618 -4.760 1.00 0.00 O ATOM 823 CB MET A 53 -11.925 9.090 -7.156 1.00 0.00 C ATOM 824 CG MET A 53 -11.736 8.308 -8.461 1.00 0.00 C ATOM 825 SD MET A 53 -10.764 9.299 -9.622 1.00 0.00 S ATOM 826 CE MET A 53 -9.525 8.041 -10.019 1.00 0.00 C ATOM 0 H MET A 53 -10.475 7.097 -6.087 1.00 0.00 H new ATOM 0 HA MET A 53 -9.942 9.928 -6.893 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.663 8.590 -6.529 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.314 10.085 -7.374 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.231 7.363 -8.261 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.706 8.066 -8.896 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.589 8.280 -9.514 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.878 7.065 -9.686 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.361 8.019 -11.096 1.00 0.00 H new ATOM 836 N LYS A 54 -10.328 9.018 -3.967 1.00 0.00 N ATOM 837 CA LYS A 54 -10.601 9.435 -2.556 1.00 0.00 C ATOM 838 C LYS A 54 -9.294 9.829 -1.853 1.00 0.00 C ATOM 839 O LYS A 54 -9.289 10.663 -0.968 1.00 0.00 O ATOM 840 CB LYS A 54 -11.263 8.268 -1.806 1.00 0.00 C ATOM 841 CG LYS A 54 -12.571 8.739 -1.161 1.00 0.00 C ATOM 842 CD LYS A 54 -12.300 9.191 0.274 1.00 0.00 C ATOM 843 CE LYS A 54 -13.607 9.657 0.918 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.367 9.983 2.351 1.00 0.00 N ATOM 0 H LYS A 54 -9.702 8.220 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.267 10.298 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.462 7.447 -2.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.587 7.885 -1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.998 9.560 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.303 7.931 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.871 8.371 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.570 10.001 0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.991 10.533 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.364 8.878 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.256 10.300 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.020 9.137 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.658 10.740 2.421 1.00 0.00 H new ATOM 858 N VAL A 55 -8.191 9.234 -2.234 1.00 0.00 N ATOM 859 CA VAL A 55 -6.884 9.566 -1.585 1.00 0.00 C ATOM 860 C VAL A 55 -6.584 11.062 -1.736 1.00 0.00 C ATOM 861 O VAL A 55 -7.057 11.709 -2.651 1.00 0.00 O ATOM 862 CB VAL A 55 -5.771 8.752 -2.243 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.979 7.271 -1.930 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.807 8.970 -3.759 1.00 0.00 C ATOM 0 H VAL A 55 -8.139 8.529 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.940 9.322 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.803 9.073 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.187 6.686 -2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.953 7.120 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.945 6.949 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.013 8.390 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.772 8.648 -4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.661 10.028 -3.978 1.00 0.00 H new ATOM 874 N GLU A 56 -5.799 11.608 -0.842 1.00 0.00 N ATOM 875 CA GLU A 56 -5.458 13.060 -0.918 1.00 0.00 C ATOM 876 C GLU A 56 -3.980 13.210 -1.279 1.00 0.00 C ATOM 877 O GLU A 56 -3.135 12.501 -0.772 1.00 0.00 O ATOM 878 CB GLU A 56 -5.726 13.716 0.440 1.00 0.00 C ATOM 879 CG GLU A 56 -7.080 14.427 0.411 1.00 0.00 C ATOM 880 CD GLU A 56 -7.743 14.323 1.787 1.00 0.00 C ATOM 881 OE1 GLU A 56 -7.026 14.371 2.773 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.956 14.196 1.830 1.00 0.00 O ATOM 0 H GLU A 56 -5.378 11.108 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.070 13.544 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.717 12.962 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.935 14.429 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.947 15.474 0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.721 13.979 -0.348 1.00 0.00 H new ATOM 889 N GLU A 57 -3.657 14.131 -2.154 1.00 0.00 N ATOM 890 CA GLU A 57 -2.228 14.328 -2.561 1.00 0.00 C ATOM 891 C GLU A 57 -1.336 14.496 -1.324 1.00 0.00 C ATOM 892 O GLU A 57 -1.275 15.552 -0.726 1.00 0.00 O ATOM 893 CB GLU A 57 -2.122 15.577 -3.446 1.00 0.00 C ATOM 894 CG GLU A 57 -1.156 15.312 -4.602 1.00 0.00 C ATOM 895 CD GLU A 57 -0.833 16.628 -5.310 1.00 0.00 C ATOM 896 OE1 GLU A 57 -1.746 17.414 -5.502 1.00 0.00 O ATOM 897 OE2 GLU A 57 0.322 16.830 -5.648 1.00 0.00 O ATOM 0 H GLU A 57 -4.323 14.758 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.893 13.451 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.105 15.843 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.773 16.424 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.240 14.855 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.599 14.608 -5.306 1.00 0.00 H new ATOM 904 N GLY A 58 -0.644 13.450 -0.950 1.00 0.00 N ATOM 905 CA GLY A 58 0.253 13.522 0.238 1.00 0.00 C ATOM 906 C GLY A 58 -0.254 12.583 1.340 1.00 0.00 C ATOM 907 O GLY A 58 0.094 12.742 2.497 1.00 0.00 O ATOM 0 H GLY A 58 -0.663 12.545 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.269 13.246 -0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.293 14.545 0.611 1.00 0.00 H new ATOM 911 N ASP A 59 -1.071 11.610 1.000 1.00 0.00 N ATOM 912 CA ASP A 59 -1.588 10.674 2.045 1.00 0.00 C ATOM 913 C ASP A 59 -0.794 9.360 2.009 1.00 0.00 C ATOM 914 O ASP A 59 0.155 9.218 1.259 1.00 0.00 O ATOM 915 CB ASP A 59 -3.087 10.407 1.808 1.00 0.00 C ATOM 916 CG ASP A 59 -3.301 9.531 0.564 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.365 10.080 -0.521 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.396 8.325 0.721 1.00 0.00 O ATOM 0 H ASP A 59 -1.398 11.427 0.051 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.465 11.126 3.029 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.515 9.915 2.681 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.614 11.353 1.686 1.00 0.00 H new ATOM 923 N VAL A 60 -1.185 8.400 2.810 1.00 0.00 N ATOM 924 CA VAL A 60 -0.469 7.087 2.825 1.00 0.00 C ATOM 925 C VAL A 60 -1.497 5.958 2.716 1.00 0.00 C ATOM 926 O VAL A 60 -2.424 5.873 3.500 1.00 0.00 O ATOM 927 CB VAL A 60 0.338 6.914 4.124 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.693 7.607 3.978 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.418 7.512 5.316 1.00 0.00 C ATOM 0 H VAL A 60 -1.971 8.469 3.456 1.00 0.00 H new ATOM 0 HA VAL A 60 0.222 7.056 1.983 1.00 0.00 H new ATOM 0 HB VAL A 60 0.484 5.849 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.265 7.485 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.242 7.162 3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.540 8.669 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.170 7.379 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.585 8.575 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.378 7.008 5.428 1.00 0.00 H new ATOM 939 N ILE A 61 -1.340 5.098 1.746 1.00 0.00 N ATOM 940 CA ILE A 61 -2.300 3.971 1.565 1.00 0.00 C ATOM 941 C ILE A 61 -1.705 2.697 2.176 1.00 0.00 C ATOM 942 O ILE A 61 -0.839 2.067 1.600 1.00 0.00 O ATOM 943 CB ILE A 61 -2.559 3.779 0.062 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.240 5.035 -0.488 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.469 2.568 -0.179 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.816 5.262 -1.939 1.00 0.00 C ATOM 0 H ILE A 61 -0.581 5.128 1.065 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.243 4.190 2.065 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.608 3.609 -0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.323 4.928 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.972 5.900 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.640 2.449 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.992 1.670 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.422 2.723 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.304 6.157 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.734 5.389 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.107 4.402 -2.542 1.00 0.00 H new ATOM 958 N LEU A 62 -2.172 2.316 3.340 1.00 0.00 N ATOM 959 CA LEU A 62 -1.647 1.085 3.998 1.00 0.00 C ATOM 960 C LEU A 62 -2.289 -0.148 3.358 1.00 0.00 C ATOM 961 O LEU A 62 -3.474 -0.169 3.084 1.00 0.00 O ATOM 962 CB LEU A 62 -1.988 1.114 5.491 1.00 0.00 C ATOM 963 CG LEU A 62 -0.875 1.830 6.257 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.451 2.452 7.530 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.215 0.823 6.631 1.00 0.00 C ATOM 0 H LEU A 62 -2.897 2.808 3.862 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.565 1.043 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.938 1.625 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.107 0.098 5.867 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.448 2.613 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.658 2.963 8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.229 3.168 7.265 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.877 1.669 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.009 1.332 7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.212 0.040 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.626 0.378 5.725 1.00 0.00 H new ATOM 977 N VAL A 63 -1.511 -1.173 3.121 1.00 0.00 N ATOM 978 CA VAL A 63 -2.064 -2.412 2.500 1.00 0.00 C ATOM 979 C VAL A 63 -1.396 -3.636 3.130 1.00 0.00 C ATOM 980 O VAL A 63 -0.346 -3.533 3.737 1.00 0.00 O ATOM 981 CB VAL A 63 -1.787 -2.399 0.996 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.484 -3.588 0.336 1.00 0.00 C ATOM 983 CG2 VAL A 63 -2.319 -1.097 0.391 1.00 0.00 C ATOM 0 H VAL A 63 -0.514 -1.204 3.332 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.140 -2.454 2.669 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.713 -2.469 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.286 -3.577 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.106 -4.516 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.558 -3.521 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.122 -1.087 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.393 -1.028 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.821 -0.248 0.859 1.00 0.00 H new ATOM 1207 N ILE A 77 0.291 -2.913 -9.664 1.00 0.00 N ATOM 1208 CA ILE A 77 1.320 -2.073 -10.335 1.00 0.00 C ATOM 1209 C ILE A 77 0.655 -0.796 -10.868 1.00 0.00 C ATOM 1210 O ILE A 77 1.271 0.251 -10.936 1.00 0.00 O ATOM 1211 CB ILE A 77 1.942 -2.875 -11.481 1.00 0.00 C ATOM 1212 CG1 ILE A 77 2.596 -4.139 -10.913 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.005 -2.032 -12.186 1.00 0.00 C ATOM 1214 CD1 ILE A 77 1.611 -5.306 -10.997 1.00 0.00 C ATOM 0 HA ILE A 77 2.104 -1.793 -9.631 1.00 0.00 H new ATOM 0 HB ILE A 77 1.165 -3.147 -12.196 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.503 -4.374 -11.471 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.893 -3.974 -9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.444 -2.608 -13.001 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.546 -1.128 -12.587 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.784 -1.758 -11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.077 -6.205 -10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.717 -5.070 -10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.337 -5.476 -12.038 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.600 -0.878 -11.238 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.313 0.324 -11.760 1.00 0.00 C ATOM 1228 C GLN A 78 -1.552 1.308 -10.612 1.00 0.00 C ATOM 1229 O GLN A 78 -0.919 2.344 -10.534 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.657 -0.109 -12.363 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.747 0.347 -13.821 1.00 0.00 C ATOM 1232 CD GLN A 78 -2.760 1.876 -13.879 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -3.803 2.491 -13.771 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -1.637 2.520 -14.046 1.00 0.00 N ATOM 0 H GLN A 78 -1.161 -1.729 -11.200 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.711 0.808 -12.529 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.759 -1.193 -12.305 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.478 0.319 -11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.901 -0.042 -14.387 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.650 -0.053 -14.283 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.762 2.004 -14.137 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.635 3.539 -14.086 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.470 0.997 -9.724 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.751 1.928 -8.587 1.00 0.00 C ATOM 1245 C LEU A 79 -1.491 2.135 -7.731 1.00 0.00 C ATOM 1246 O LEU A 79 -1.425 3.069 -6.954 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.952 1.426 -7.737 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.635 0.198 -6.845 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.901 -0.889 -7.627 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.801 0.614 -5.628 1.00 0.00 C ATOM 0 H LEU A 79 -3.031 0.145 -9.739 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.032 2.898 -8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.298 2.241 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.774 1.172 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.587 -0.210 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.695 -1.734 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.521 -1.220 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.962 -0.490 -8.010 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.589 -0.262 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.863 1.057 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.356 1.344 -5.039 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.482 1.302 -7.876 1.00 0.00 N ATOM 1263 CA ILE A 80 0.764 1.497 -7.081 1.00 0.00 C ATOM 1264 C ILE A 80 1.554 2.635 -7.748 1.00 0.00 C ATOM 1265 O ILE A 80 2.196 3.426 -7.084 1.00 0.00 O ATOM 1266 CB ILE A 80 1.549 0.153 -7.030 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.228 -0.558 -5.709 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.074 0.355 -7.107 1.00 0.00 C ATOM 1269 CD1 ILE A 80 -0.090 -1.330 -5.828 1.00 0.00 C ATOM 0 H ILE A 80 -0.473 0.502 -8.509 1.00 0.00 H new ATOM 0 HA ILE A 80 0.563 1.778 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 80 1.242 -0.436 -7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.036 -1.242 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.158 0.172 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.572 -0.614 -7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.328 0.856 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.403 0.967 -6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.306 -1.830 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.897 -0.637 -6.064 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.006 -2.073 -6.621 1.00 0.00 H new ATOM 1281 N LYS A 81 1.484 2.729 -9.055 1.00 0.00 N ATOM 1282 CA LYS A 81 2.202 3.824 -9.768 1.00 0.00 C ATOM 1283 C LYS A 81 1.294 5.056 -9.812 1.00 0.00 C ATOM 1284 O LYS A 81 1.757 6.181 -9.782 1.00 0.00 O ATOM 1285 CB LYS A 81 2.538 3.374 -11.198 1.00 0.00 C ATOM 1286 CG LYS A 81 4.051 3.176 -11.336 1.00 0.00 C ATOM 1287 CD LYS A 81 4.387 1.692 -11.176 1.00 0.00 C ATOM 1288 CE LYS A 81 3.994 0.938 -12.450 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.032 -0.085 -12.761 1.00 0.00 N ATOM 0 H LYS A 81 0.960 2.093 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 81 3.129 4.065 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.018 2.444 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.192 4.119 -11.915 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.388 3.533 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.576 3.762 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.452 1.569 -10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.857 1.279 -10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.024 0.459 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.894 1.635 -13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.663 -0.749 -13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.882 0.385 -13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.276 -0.606 -11.895 1.00 0.00 H new ATOM 1303 N GLU A 82 0.002 4.845 -9.880 1.00 0.00 N ATOM 1304 CA GLU A 82 -0.949 5.994 -9.923 1.00 0.00 C ATOM 1305 C GLU A 82 -0.845 6.783 -8.616 1.00 0.00 C ATOM 1306 O GLU A 82 -0.744 7.997 -8.623 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.379 5.467 -10.096 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.158 6.397 -11.031 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.861 7.477 -10.208 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -4.427 7.138 -9.182 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.821 8.626 -10.619 1.00 0.00 O ATOM 0 H GLU A 82 -0.434 3.923 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.702 6.645 -10.762 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.358 4.457 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.876 5.409 -9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.481 6.857 -11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.890 5.826 -11.602 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.864 6.102 -7.498 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.761 6.807 -6.189 1.00 0.00 C ATOM 1320 C PHE A 83 0.649 7.383 -6.038 1.00 0.00 C ATOM 1321 O PHE A 83 0.832 8.465 -5.514 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.033 5.820 -5.045 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.504 5.452 -5.003 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.486 6.449 -5.069 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.884 4.107 -4.891 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.841 6.101 -5.023 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.242 3.761 -4.846 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.219 4.758 -4.912 1.00 0.00 C ATOM 0 H PHE A 83 -0.947 5.087 -7.438 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.495 7.612 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.431 4.922 -5.180 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.735 6.264 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.198 7.486 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.129 3.336 -4.839 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.597 6.871 -5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.533 2.724 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.265 4.492 -4.877 1.00 0.00 H new ATOM 1338 N ASP A 84 1.643 6.666 -6.503 1.00 0.00 N ATOM 1339 CA ASP A 84 3.045 7.167 -6.400 1.00 0.00 C ATOM 1340 C ASP A 84 3.182 8.452 -7.217 1.00 0.00 C ATOM 1341 O ASP A 84 3.881 9.371 -6.839 1.00 0.00 O ATOM 1342 CB ASP A 84 4.007 6.110 -6.949 1.00 0.00 C ATOM 1343 CG ASP A 84 5.376 6.273 -6.288 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.799 7.407 -6.116 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.981 5.265 -5.965 1.00 0.00 O ATOM 0 H ASP A 84 1.542 5.755 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 84 3.285 7.368 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.615 5.111 -6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.099 6.213 -8.030 1.00 0.00 H new ATOM 1350 N ALA A 85 2.509 8.516 -8.338 1.00 0.00 N ATOM 1351 CA ALA A 85 2.581 9.735 -9.194 1.00 0.00 C ATOM 1352 C ALA A 85 1.594 10.796 -8.690 1.00 0.00 C ATOM 1353 O ALA A 85 1.685 11.952 -9.058 1.00 0.00 O ATOM 1354 CB ALA A 85 2.232 9.363 -10.637 1.00 0.00 C ATOM 0 H ALA A 85 1.911 7.772 -8.697 1.00 0.00 H new ATOM 0 HA ALA A 85 3.592 10.141 -9.150 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.284 10.253 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.940 8.619 -11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.223 8.952 -10.673 1.00 0.00 H new ATOM 1360 N GLN A 86 0.650 10.419 -7.855 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.336 11.408 -7.339 1.00 0.00 C ATOM 1362 C GLN A 86 0.178 12.047 -6.036 1.00 0.00 C ATOM 1363 O GLN A 86 -0.584 12.642 -5.297 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.665 10.691 -7.071 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.681 11.056 -8.156 1.00 0.00 C ATOM 1366 CD GLN A 86 -4.060 10.523 -7.765 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -4.280 9.328 -7.745 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -5.007 11.365 -7.452 1.00 0.00 N ATOM 0 H GLN A 86 0.526 9.466 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.478 12.195 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.509 9.612 -7.054 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.049 10.973 -6.091 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.720 12.138 -8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.374 10.634 -9.113 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.823 12.368 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.931 11.020 -7.191 1.00 0.00 H new ATOM 1377 N GLY A 87 1.452 11.927 -5.745 1.00 0.00 N ATOM 1378 CA GLY A 87 1.997 12.527 -4.491 1.00 0.00 C ATOM 1379 C GLY A 87 1.472 11.744 -3.288 1.00 0.00 C ATOM 1380 O GLY A 87 1.299 12.286 -2.211 1.00 0.00 O ATOM 0 H GLY A 87 2.136 11.439 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.087 12.504 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.701 13.573 -4.416 1.00 0.00 H new ATOM 1384 N VAL A 88 1.217 10.473 -3.466 1.00 0.00 N ATOM 1385 CA VAL A 88 0.700 9.643 -2.339 1.00 0.00 C ATOM 1386 C VAL A 88 1.615 8.435 -2.137 1.00 0.00 C ATOM 1387 O VAL A 88 2.204 7.926 -3.072 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.719 9.169 -2.666 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.289 8.385 -1.482 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.607 10.385 -2.940 1.00 0.00 C ATOM 0 H VAL A 88 1.345 9.974 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 88 0.680 10.237 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.691 8.525 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.299 8.050 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.658 7.520 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.317 9.026 -0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.618 10.052 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.630 11.025 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.206 10.946 -3.784 1.00 0.00 H new ATOM 1400 N SER A 89 1.737 7.978 -0.918 1.00 0.00 N ATOM 1401 CA SER A 89 2.613 6.804 -0.638 1.00 0.00 C ATOM 1402 C SER A 89 1.745 5.589 -0.307 1.00 0.00 C ATOM 1403 O SER A 89 0.568 5.717 -0.028 1.00 0.00 O ATOM 1404 CB SER A 89 3.519 7.120 0.553 1.00 0.00 C ATOM 1405 OG SER A 89 4.758 7.633 0.076 1.00 0.00 O ATOM 0 H SER A 89 1.266 8.369 -0.102 1.00 0.00 H new ATOM 0 HA SER A 89 3.224 6.587 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.039 7.847 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.688 6.221 1.145 1.00 0.00 H new ATOM 0 HG SER A 89 5.341 7.839 0.836 1.00 0.00 H new ATOM 1411 N ILE A 90 2.320 4.415 -0.332 1.00 0.00 N ATOM 1412 CA ILE A 90 1.536 3.185 -0.012 1.00 0.00 C ATOM 1413 C ILE A 90 2.332 2.319 0.965 1.00 0.00 C ATOM 1414 O ILE A 90 3.308 1.691 0.598 1.00 0.00 O ATOM 1415 CB ILE A 90 1.262 2.395 -1.292 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.611 3.321 -2.332 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.318 1.230 -0.972 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.319 2.542 -3.619 1.00 0.00 C ATOM 0 H ILE A 90 3.301 4.255 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 90 0.586 3.469 0.440 1.00 0.00 H new ATOM 0 HB ILE A 90 2.197 2.004 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.313 3.738 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.272 4.161 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.119 0.663 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.782 0.578 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.619 1.620 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.142 3.206 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.250 2.147 -4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.359 1.718 -3.399 1.00 0.00 H new ATOM 1430 N ARG A 91 1.922 2.286 2.206 1.00 0.00 N ATOM 1431 CA ARG A 91 2.646 1.469 3.221 1.00 0.00 C ATOM 1432 C ARG A 91 2.240 0.000 3.085 1.00 0.00 C ATOM 1433 O ARG A 91 1.082 -0.315 2.881 1.00 0.00 O ATOM 1434 CB ARG A 91 2.292 1.971 4.622 1.00 0.00 C ATOM 1435 CG ARG A 91 2.933 3.342 4.852 1.00 0.00 C ATOM 1436 CD ARG A 91 3.359 3.471 6.316 1.00 0.00 C ATOM 1437 NE ARG A 91 4.809 3.132 6.446 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.747 3.941 5.992 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.450 5.080 5.409 1.00 0.00 N ATOM 1440 NH2 ARG A 91 7.000 3.602 6.126 1.00 0.00 N ATOM 0 H ARG A 91 1.112 2.794 2.561 1.00 0.00 H new ATOM 0 HA ARG A 91 3.720 1.561 3.061 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.210 2.041 4.732 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.643 1.263 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.797 3.465 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.227 4.132 4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.179 4.486 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.762 2.805 6.939 1.00 0.00 H new ATOM 0 HE ARG A 91 5.079 2.257 6.895 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.475 5.357 5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.195 5.687 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.244 2.721 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.735 4.218 5.779 1.00 0.00 H new ATOM 1454 N PHE A 92 3.186 -0.898 3.197 1.00 0.00 N ATOM 1455 CA PHE A 92 2.868 -2.351 3.077 1.00 0.00 C ATOM 1456 C PHE A 92 3.215 -3.060 4.388 1.00 0.00 C ATOM 1457 O PHE A 92 4.149 -2.692 5.074 1.00 0.00 O ATOM 1458 CB PHE A 92 3.692 -2.957 1.938 1.00 0.00 C ATOM 1459 CG PHE A 92 3.079 -2.575 0.612 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.217 -1.269 0.126 1.00 0.00 C ATOM 1461 CD2 PHE A 92 2.372 -3.526 -0.132 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.647 -0.915 -1.103 1.00 0.00 C ATOM 1463 CE2 PHE A 92 1.804 -3.174 -1.360 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.941 -1.869 -1.847 1.00 0.00 C ATOM 0 H PHE A 92 4.169 -0.685 3.367 1.00 0.00 H new ATOM 0 HA PHE A 92 1.806 -2.475 2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.721 -2.601 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.724 -4.042 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.763 -0.535 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.265 -4.533 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.752 0.093 -1.477 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.259 -3.910 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.503 -1.598 -2.796 1.00 0.00 H new ATOM 1474 N ILE A 93 2.465 -4.074 4.739 1.00 0.00 N ATOM 1475 CA ILE A 93 2.740 -4.816 6.006 1.00 0.00 C ATOM 1476 C ILE A 93 4.078 -5.559 5.889 1.00 0.00 C ATOM 1477 O ILE A 93 4.743 -5.811 6.877 1.00 0.00 O ATOM 1478 CB ILE A 93 1.603 -5.817 6.267 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.869 -6.572 7.578 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.512 -6.817 5.107 1.00 0.00 C ATOM 1481 CD1 ILE A 93 0.685 -7.488 7.899 1.00 0.00 C ATOM 0 H ILE A 93 1.671 -4.421 4.200 1.00 0.00 H new ATOM 0 HA ILE A 93 2.797 -4.113 6.837 1.00 0.00 H new ATOM 0 HB ILE A 93 0.661 -5.274 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.782 -7.160 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.023 -5.863 8.392 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.704 -7.524 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.313 -6.281 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.454 -7.358 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.879 -8.021 8.830 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.220 -6.889 8.006 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.551 -8.207 7.090 1.00 0.00 H new