USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=10 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 Set 1.1: A 13 GLN : amide:sc= 0.925 K(o=1.7,f=0.045) USER MOD Set 1.2: A 14 GLN : amide:sc= 0.805 K(o=1.7,f=0.045) USER MOD Single : A 6 TYR OH : rot 8:sc= 1.22 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -151:sc= -0.471 USER MOD Single : A 19 GLN : amide:sc= -0.284 K(o=-0.28,f=-9.9!) USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= -0.334 (180deg=-0.735) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= -0.163 (180deg=-1.35) USER MOD Single : A 31 ASN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 35 THR OG1 : rot 150:sc= -0.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 132:sc= -0.278 (180deg=-1.13) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0477 X(o=-0.048,f=-0.048) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0564 K(o=-0.056,f=-2.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.849 11.723 5.033 1.00 0.00 N ATOM 19 CA ARG A 2 -4.772 10.944 5.908 1.00 0.00 C ATOM 20 C ARG A 2 -4.296 9.492 5.991 1.00 0.00 C ATOM 21 O ARG A 2 -3.449 9.061 5.228 1.00 0.00 O ATOM 22 CB ARG A 2 -6.187 10.985 5.324 1.00 0.00 C ATOM 23 CG ARG A 2 -6.990 12.105 5.994 1.00 0.00 C ATOM 24 CD ARG A 2 -8.464 12.001 5.588 1.00 0.00 C ATOM 25 NE ARG A 2 -8.778 13.057 4.576 1.00 0.00 N ATOM 26 CZ ARG A 2 -9.992 13.197 4.081 1.00 0.00 C ATOM 27 NH1 ARG A 2 -10.980 12.415 4.451 1.00 0.00 N ATOM 28 NH2 ARG A 2 -10.215 14.134 3.201 1.00 0.00 N ATOM 0 HA ARG A 2 -4.778 11.381 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.142 11.151 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.683 10.027 5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.896 12.034 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.590 13.076 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.670 11.014 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.103 12.120 6.463 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.036 13.683 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.818 11.678 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -11.910 12.545 4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.455 14.747 2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.149 14.254 2.809 1.00 0.00 H new ATOM 42 N LEU A 3 -4.837 8.737 6.914 1.00 0.00 N ATOM 43 CA LEU A 3 -4.429 7.309 7.063 1.00 0.00 C ATOM 44 C LEU A 3 -5.450 6.410 6.360 1.00 0.00 C ATOM 45 O LEU A 3 -6.291 5.797 6.997 1.00 0.00 O ATOM 46 CB LEU A 3 -4.369 6.953 8.552 1.00 0.00 C ATOM 47 CG LEU A 3 -2.926 7.049 9.047 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.889 6.825 10.560 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.081 5.979 8.353 1.00 0.00 C ATOM 0 H LEU A 3 -5.548 9.052 7.574 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.447 7.159 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.005 7.629 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.752 5.945 8.710 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.526 8.037 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.860 6.893 10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.494 7.585 11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.287 5.837 10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.051 6.045 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.481 4.992 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.108 6.137 7.275 1.00 0.00 H new ATOM 61 N PHE A 4 -5.381 6.324 5.053 1.00 0.00 N ATOM 62 CA PHE A 4 -6.346 5.467 4.303 1.00 0.00 C ATOM 63 C PHE A 4 -5.875 4.014 4.343 1.00 0.00 C ATOM 64 O PHE A 4 -4.696 3.739 4.466 1.00 0.00 O ATOM 65 CB PHE A 4 -6.422 5.928 2.845 1.00 0.00 C ATOM 66 CG PHE A 4 -7.373 7.094 2.724 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.754 6.871 2.648 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.874 8.401 2.682 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.634 7.955 2.532 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.753 9.484 2.566 1.00 0.00 C ATOM 71 CZ PHE A 4 -9.133 9.261 2.491 1.00 0.00 C ATOM 0 H PHE A 4 -4.697 6.812 4.475 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.330 5.549 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.432 6.217 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.757 5.107 2.212 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.140 5.863 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.809 8.574 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.699 7.783 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.367 10.492 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.811 10.097 2.401 1.00 0.00 H new ATOM 81 N GLY A 5 -6.788 3.083 4.238 1.00 0.00 N ATOM 82 CA GLY A 5 -6.401 1.643 4.265 1.00 0.00 C ATOM 83 C GLY A 5 -7.180 0.877 3.195 1.00 0.00 C ATOM 84 O GLY A 5 -8.366 1.081 3.010 1.00 0.00 O ATOM 0 H GLY A 5 -7.787 3.260 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.330 1.542 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.605 1.221 5.249 1.00 0.00 H new ATOM 88 N TYR A 6 -6.518 -0.007 2.496 1.00 0.00 N ATOM 89 CA TYR A 6 -7.203 -0.804 1.438 1.00 0.00 C ATOM 90 C TYR A 6 -7.350 -2.249 1.923 1.00 0.00 C ATOM 91 O TYR A 6 -6.446 -2.807 2.518 1.00 0.00 O ATOM 92 CB TYR A 6 -6.366 -0.767 0.152 1.00 0.00 C ATOM 93 CG TYR A 6 -7.053 -1.560 -0.936 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.361 -1.240 -1.320 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.382 -2.622 -1.554 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.995 -1.980 -2.324 1.00 0.00 C ATOM 97 CE2 TYR A 6 -7.016 -3.362 -2.559 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.324 -3.041 -2.943 1.00 0.00 C ATOM 99 OH TYR A 6 -8.951 -3.770 -3.933 1.00 0.00 O ATOM 0 H TYR A 6 -5.526 -0.212 2.614 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.189 -0.386 1.234 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.227 0.265 -0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.374 -1.178 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.880 -0.423 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.374 -2.871 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.003 -1.732 -2.622 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.497 -4.179 -3.038 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.800 -3.341 -4.167 1.00 0.00 H new ATOM 109 N ALA A 7 -8.481 -2.855 1.671 1.00 0.00 N ATOM 110 CA ALA A 7 -8.693 -4.263 2.113 1.00 0.00 C ATOM 111 C ALA A 7 -9.388 -5.054 1.002 1.00 0.00 C ATOM 112 O ALA A 7 -10.142 -4.509 0.218 1.00 0.00 O ATOM 113 CB ALA A 7 -9.570 -4.278 3.368 1.00 0.00 C ATOM 0 H ALA A 7 -9.268 -2.434 1.177 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.728 -4.719 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.725 -5.307 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.077 -3.718 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.533 -3.819 3.144 1.00 0.00 H new ATOM 119 N ARG A 8 -9.140 -6.336 0.937 1.00 0.00 N ATOM 120 CA ARG A 8 -9.784 -7.184 -0.109 1.00 0.00 C ATOM 121 C ARG A 8 -10.026 -8.577 0.477 1.00 0.00 C ATOM 122 O ARG A 8 -9.122 -9.386 0.568 1.00 0.00 O ATOM 123 CB ARG A 8 -8.865 -7.286 -1.329 1.00 0.00 C ATOM 124 CG ARG A 8 -9.564 -8.079 -2.439 1.00 0.00 C ATOM 125 CD ARG A 8 -10.333 -7.124 -3.361 1.00 0.00 C ATOM 126 NE ARG A 8 -10.011 -7.446 -4.786 1.00 0.00 N ATOM 127 CZ ARG A 8 -8.870 -7.076 -5.334 1.00 0.00 C ATOM 128 NH1 ARG A 8 -7.967 -6.405 -4.656 1.00 0.00 N ATOM 129 NH2 ARG A 8 -8.633 -7.383 -6.580 1.00 0.00 N ATOM 0 H ARG A 8 -8.514 -6.835 1.569 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.730 -6.741 -0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.609 -6.289 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.931 -7.775 -1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.828 -8.640 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.249 -8.806 -2.002 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.405 -7.218 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.064 -6.091 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.689 -7.963 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.140 -6.158 -3.682 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.093 -6.131 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.326 -7.903 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.754 -7.103 -7.016 1.00 0.00 H new ATOM 143 N VAL A 9 -11.236 -8.851 0.893 1.00 0.00 N ATOM 144 CA VAL A 9 -11.543 -10.181 1.497 1.00 0.00 C ATOM 145 C VAL A 9 -11.259 -11.303 0.497 1.00 0.00 C ATOM 146 O VAL A 9 -11.624 -11.232 -0.660 1.00 0.00 O ATOM 147 CB VAL A 9 -13.012 -10.233 1.923 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.253 -9.228 3.050 1.00 0.00 C ATOM 149 CG2 VAL A 9 -13.909 -9.888 0.735 1.00 0.00 C ATOM 0 H VAL A 9 -12.026 -8.208 0.840 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.906 -10.319 2.371 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.248 -11.238 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.299 -9.265 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.619 -9.477 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.012 -8.224 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.953 -9.927 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.673 -8.885 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.742 -10.606 -0.068 1.00 0.00 H new ATOM 159 N SER A 10 -10.610 -12.344 0.953 1.00 0.00 N ATOM 160 CA SER A 10 -10.293 -13.492 0.057 1.00 0.00 C ATOM 161 C SER A 10 -11.088 -14.719 0.516 1.00 0.00 C ATOM 162 O SER A 10 -11.456 -15.563 -0.281 1.00 0.00 O ATOM 163 CB SER A 10 -8.796 -13.798 0.129 1.00 0.00 C ATOM 164 OG SER A 10 -8.446 -14.121 1.469 1.00 0.00 O ATOM 0 H SER A 10 -10.285 -12.447 1.914 1.00 0.00 H new ATOM 0 HA SER A 10 -10.561 -13.242 -0.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.551 -14.628 -0.533 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.220 -12.937 -0.212 1.00 0.00 H new ATOM 0 HG SER A 10 -7.488 -14.319 1.518 1.00 0.00 H new ATOM 170 N THR A 11 -11.356 -14.818 1.794 1.00 0.00 N ATOM 171 CA THR A 11 -12.130 -15.983 2.316 1.00 0.00 C ATOM 172 C THR A 11 -13.606 -15.593 2.445 1.00 0.00 C ATOM 173 O THR A 11 -13.997 -14.495 2.098 1.00 0.00 O ATOM 174 CB THR A 11 -11.582 -16.385 3.691 1.00 0.00 C ATOM 175 OG1 THR A 11 -12.383 -17.427 4.231 1.00 0.00 O ATOM 176 CG2 THR A 11 -11.606 -15.179 4.634 1.00 0.00 C ATOM 0 H THR A 11 -11.071 -14.139 2.500 1.00 0.00 H new ATOM 0 HA THR A 11 -12.035 -16.824 1.629 1.00 0.00 H new ATOM 0 HB THR A 11 -10.555 -16.732 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.034 -17.687 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.216 -15.471 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.989 -14.381 4.220 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.631 -14.824 4.745 1.00 0.00 H new ATOM 184 N SER A 12 -14.425 -16.486 2.942 1.00 0.00 N ATOM 185 CA SER A 12 -15.877 -16.174 3.097 1.00 0.00 C ATOM 186 C SER A 12 -16.316 -16.484 4.529 1.00 0.00 C ATOM 187 O SER A 12 -16.752 -17.579 4.830 1.00 0.00 O ATOM 188 CB SER A 12 -16.688 -17.022 2.118 1.00 0.00 C ATOM 189 OG SER A 12 -16.658 -16.414 0.833 1.00 0.00 O ATOM 0 H SER A 12 -14.149 -17.419 3.247 1.00 0.00 H new ATOM 0 HA SER A 12 -16.046 -15.118 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.277 -18.030 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 -17.717 -17.115 2.465 1.00 0.00 H new ATOM 0 HG SER A 12 -17.176 -16.956 0.202 1.00 0.00 H new ATOM 195 N GLN A 13 -16.204 -15.525 5.413 1.00 0.00 N ATOM 196 CA GLN A 13 -16.613 -15.752 6.830 1.00 0.00 C ATOM 197 C GLN A 13 -16.460 -14.448 7.616 1.00 0.00 C ATOM 198 O GLN A 13 -17.399 -13.960 8.215 1.00 0.00 O ATOM 199 CB GLN A 13 -15.721 -16.829 7.451 1.00 0.00 C ATOM 200 CG GLN A 13 -16.482 -17.537 8.576 1.00 0.00 C ATOM 201 CD GLN A 13 -15.656 -18.719 9.084 1.00 0.00 C ATOM 202 OE1 GLN A 13 -15.828 -19.833 8.632 1.00 0.00 O ATOM 203 NE2 GLN A 13 -14.761 -18.523 10.014 1.00 0.00 N ATOM 0 H GLN A 13 -15.845 -14.591 5.212 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.653 -16.078 6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.421 -17.550 6.691 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.808 -16.379 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.679 -16.840 9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.449 -17.885 8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.616 -17.587 10.394 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.206 -19.305 10.361 1.00 0.00 H new ATOM 212 N GLN A 14 -15.280 -13.884 7.613 1.00 0.00 N ATOM 213 CA GLN A 14 -15.048 -12.609 8.354 1.00 0.00 C ATOM 214 C GLN A 14 -13.763 -11.955 7.842 1.00 0.00 C ATOM 215 O GLN A 14 -13.062 -11.284 8.575 1.00 0.00 O ATOM 216 CB GLN A 14 -14.916 -12.904 9.850 1.00 0.00 C ATOM 217 CG GLN A 14 -13.804 -13.932 10.081 1.00 0.00 C ATOM 218 CD GLN A 14 -14.138 -14.777 11.311 1.00 0.00 C ATOM 219 OE1 GLN A 14 -14.601 -15.894 11.188 1.00 0.00 O ATOM 220 NE2 GLN A 14 -13.918 -14.290 12.502 1.00 0.00 N ATOM 0 H GLN A 14 -14.463 -14.254 7.127 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.888 -11.934 8.194 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.693 -11.985 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -15.861 -13.283 10.240 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.698 -14.572 9.205 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.849 -13.425 10.223 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.529 -13.353 12.606 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.135 -14.847 13.329 1.00 0.00 H new ATOM 229 N SER A 15 -13.449 -12.156 6.588 1.00 0.00 N ATOM 230 CA SER A 15 -12.208 -11.563 6.007 1.00 0.00 C ATOM 231 C SER A 15 -12.257 -10.036 6.114 1.00 0.00 C ATOM 232 O SER A 15 -11.261 -9.398 6.407 1.00 0.00 O ATOM 233 CB SER A 15 -12.080 -11.973 4.533 1.00 0.00 C ATOM 234 OG SER A 15 -13.315 -12.514 4.077 1.00 0.00 O ATOM 0 H SER A 15 -14.004 -12.710 5.937 1.00 0.00 H new ATOM 0 HA SER A 15 -11.345 -11.931 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.805 -11.109 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.285 -12.709 4.418 1.00 0.00 H new ATOM 0 HG SER A 15 -13.144 -13.167 3.367 1.00 0.00 H new ATOM 240 N LEU A 16 -13.405 -9.442 5.888 1.00 0.00 N ATOM 241 CA LEU A 16 -13.520 -7.954 5.983 1.00 0.00 C ATOM 242 C LEU A 16 -13.112 -7.510 7.396 1.00 0.00 C ATOM 243 O LEU A 16 -12.427 -6.520 7.571 1.00 0.00 O ATOM 244 CB LEU A 16 -14.972 -7.538 5.683 1.00 0.00 C ATOM 245 CG LEU A 16 -15.171 -6.031 5.945 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.758 -5.361 4.700 1.00 0.00 C ATOM 247 CD2 LEU A 16 -16.135 -5.834 7.120 1.00 0.00 C ATOM 0 H LEU A 16 -14.268 -9.926 5.641 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.862 -7.476 5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.214 -7.767 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.657 -8.114 6.305 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.206 -5.582 6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.897 -4.297 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.076 -5.493 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.720 -5.815 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.273 -4.768 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.096 -6.289 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.722 -6.304 8.012 1.00 0.00 H new ATOM 259 N ASP A 17 -13.516 -8.250 8.395 1.00 0.00 N ATOM 260 CA ASP A 17 -13.144 -7.891 9.793 1.00 0.00 C ATOM 261 C ASP A 17 -11.638 -8.096 9.962 1.00 0.00 C ATOM 262 O ASP A 17 -10.934 -7.232 10.450 1.00 0.00 O ATOM 263 CB ASP A 17 -13.903 -8.795 10.770 1.00 0.00 C ATOM 264 CG ASP A 17 -14.368 -7.974 11.975 1.00 0.00 C ATOM 265 OD1 ASP A 17 -15.162 -7.069 11.780 1.00 0.00 O ATOM 266 OD2 ASP A 17 -13.922 -8.265 13.073 1.00 0.00 O ATOM 0 H ASP A 17 -14.089 -9.089 8.302 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.402 -6.852 9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.761 -9.246 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.260 -9.611 11.100 1.00 0.00 H new ATOM 271 N ILE A 18 -11.142 -9.235 9.547 1.00 0.00 N ATOM 272 CA ILE A 18 -9.680 -9.518 9.661 1.00 0.00 C ATOM 273 C ILE A 18 -8.897 -8.467 8.868 1.00 0.00 C ATOM 274 O ILE A 18 -7.869 -7.984 9.307 1.00 0.00 O ATOM 275 CB ILE A 18 -9.385 -10.909 9.087 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.232 -11.958 9.813 1.00 0.00 C ATOM 277 CG2 ILE A 18 -7.901 -11.242 9.272 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.574 -13.094 8.846 1.00 0.00 C ATOM 0 H ILE A 18 -11.693 -9.986 9.131 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.382 -9.484 10.709 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.630 -10.914 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.688 -12.349 10.673 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.146 -11.503 10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.696 -12.231 8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.294 -10.501 8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.655 -11.231 10.334 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.177 -13.842 9.362 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.135 -12.696 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.654 -13.555 8.486 1.00 0.00 H new ATOM 290 N GLN A 19 -9.379 -8.116 7.704 1.00 0.00 N ATOM 291 CA GLN A 19 -8.673 -7.100 6.872 1.00 0.00 C ATOM 292 C GLN A 19 -8.665 -5.760 7.605 1.00 0.00 C ATOM 293 O GLN A 19 -7.632 -5.146 7.768 1.00 0.00 O ATOM 294 CB GLN A 19 -9.389 -6.947 5.534 1.00 0.00 C ATOM 295 CG GLN A 19 -8.892 -8.025 4.569 1.00 0.00 C ATOM 296 CD GLN A 19 -7.572 -7.572 3.939 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.566 -6.941 2.902 1.00 0.00 O ATOM 298 NE2 GLN A 19 -6.447 -7.870 4.528 1.00 0.00 N ATOM 0 H GLN A 19 -10.234 -8.491 7.294 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.647 -7.424 6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.466 -7.036 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.201 -5.957 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.751 -8.967 5.099 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.636 -8.205 3.793 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.452 -8.400 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.562 -7.573 4.117 1.00 0.00 H new ATOM 307 N VAL A 20 -9.809 -5.305 8.060 1.00 0.00 N ATOM 308 CA VAL A 20 -9.869 -4.002 8.797 1.00 0.00 C ATOM 309 C VAL A 20 -8.904 -4.061 9.990 1.00 0.00 C ATOM 310 O VAL A 20 -8.115 -3.161 10.205 1.00 0.00 O ATOM 311 CB VAL A 20 -11.305 -3.760 9.288 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.372 -2.479 10.126 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.241 -3.619 8.084 1.00 0.00 C ATOM 0 H VAL A 20 -10.705 -5.781 7.952 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.579 -3.184 8.138 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.612 -4.607 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.395 -2.320 10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.713 -2.574 10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.056 -1.630 9.519 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.259 -3.447 8.433 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.921 -2.777 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.210 -4.532 7.490 1.00 0.00 H new ATOM 323 N ARG A 21 -8.952 -5.127 10.750 1.00 0.00 N ATOM 324 CA ARG A 21 -8.027 -5.266 11.916 1.00 0.00 C ATOM 325 C ARG A 21 -6.589 -5.279 11.395 1.00 0.00 C ATOM 326 O ARG A 21 -5.697 -4.702 11.985 1.00 0.00 O ATOM 327 CB ARG A 21 -8.321 -6.576 12.652 1.00 0.00 C ATOM 328 CG ARG A 21 -9.821 -6.673 12.976 1.00 0.00 C ATOM 329 CD ARG A 21 -10.026 -6.726 14.494 1.00 0.00 C ATOM 330 NE ARG A 21 -10.144 -5.336 15.034 1.00 0.00 N ATOM 331 CZ ARG A 21 -11.252 -4.635 14.892 1.00 0.00 C ATOM 332 NH1 ARG A 21 -12.294 -5.114 14.251 1.00 0.00 N ATOM 333 NH2 ARG A 21 -11.311 -3.432 15.393 1.00 0.00 N ATOM 0 H ARG A 21 -9.593 -5.908 10.613 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.167 -4.434 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.018 -7.424 12.037 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.738 -6.624 13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.348 -5.815 12.559 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.245 -7.563 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.925 -7.296 14.730 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.189 -7.240 14.966 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.350 -4.921 15.523 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.259 -6.050 13.848 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.138 -4.550 14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.507 -3.045 15.887 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.161 -2.878 15.291 1.00 0.00 H new ATOM 347 N ALA A 22 -6.372 -5.919 10.273 1.00 0.00 N ATOM 348 CA ALA A 22 -5.007 -5.962 9.677 1.00 0.00 C ATOM 349 C ALA A 22 -4.617 -4.545 9.260 1.00 0.00 C ATOM 350 O ALA A 22 -3.492 -4.117 9.431 1.00 0.00 O ATOM 351 CB ALA A 22 -5.022 -6.869 8.443 1.00 0.00 C ATOM 0 H ALA A 22 -7.088 -6.416 9.743 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.291 -6.351 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.025 -6.903 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.325 -7.875 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.727 -6.476 7.711 1.00 0.00 H new ATOM 357 N LEU A 23 -5.556 -3.817 8.718 1.00 0.00 N ATOM 358 CA LEU A 23 -5.287 -2.420 8.281 1.00 0.00 C ATOM 359 C LEU A 23 -5.061 -1.552 9.521 1.00 0.00 C ATOM 360 O LEU A 23 -4.107 -0.801 9.598 1.00 0.00 O ATOM 361 CB LEU A 23 -6.504 -1.904 7.502 1.00 0.00 C ATOM 362 CG LEU A 23 -6.335 -2.167 5.994 1.00 0.00 C ATOM 363 CD1 LEU A 23 -6.129 -3.660 5.722 1.00 0.00 C ATOM 364 CD2 LEU A 23 -7.592 -1.698 5.262 1.00 0.00 C ATOM 0 H LEU A 23 -6.511 -4.137 8.558 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.404 -2.382 7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.408 -2.395 7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.629 -0.836 7.678 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.460 -1.622 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.012 -3.822 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.234 -4.004 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.994 -4.218 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.480 -1.881 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.457 -2.247 5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.737 -0.632 5.434 1.00 0.00 H new ATOM 376 N LYS A 24 -5.931 -1.658 10.496 1.00 0.00 N ATOM 377 CA LYS A 24 -5.778 -0.853 11.744 1.00 0.00 C ATOM 378 C LYS A 24 -4.459 -1.227 12.425 1.00 0.00 C ATOM 379 O LYS A 24 -3.726 -0.375 12.885 1.00 0.00 O ATOM 380 CB LYS A 24 -6.945 -1.147 12.691 1.00 0.00 C ATOM 381 CG LYS A 24 -8.101 -0.172 12.420 1.00 0.00 C ATOM 382 CD LYS A 24 -9.293 -0.927 11.814 1.00 0.00 C ATOM 383 CE LYS A 24 -10.598 -0.393 12.409 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.880 -1.082 13.700 1.00 0.00 N ATOM 0 H LYS A 24 -6.745 -2.272 10.479 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.775 0.209 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.285 -2.174 12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.616 -1.055 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.402 0.315 13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.773 0.614 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.300 -0.806 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.200 -1.994 12.015 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.523 0.683 12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.420 -0.555 11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.783 -1.594 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.116 -1.756 13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.939 -0.378 14.463 1.00 0.00 H new ATOM 398 N ASP A 25 -4.144 -2.501 12.471 1.00 0.00 N ATOM 399 CA ASP A 25 -2.865 -2.948 13.095 1.00 0.00 C ATOM 400 C ASP A 25 -1.704 -2.264 12.379 1.00 0.00 C ATOM 401 O ASP A 25 -0.699 -1.919 12.972 1.00 0.00 O ATOM 402 CB ASP A 25 -2.734 -4.459 12.925 1.00 0.00 C ATOM 403 CG ASP A 25 -1.825 -5.026 14.017 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.621 -4.855 13.906 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.346 -5.621 14.944 1.00 0.00 O ATOM 0 H ASP A 25 -4.725 -3.252 12.099 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.854 -2.691 14.154 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.717 -4.927 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.324 -4.689 11.942 1.00 0.00 H new ATOM 410 N ALA A 26 -1.859 -2.063 11.102 1.00 0.00 N ATOM 411 CA ALA A 26 -0.804 -1.396 10.301 1.00 0.00 C ATOM 412 C ALA A 26 -0.764 0.085 10.674 1.00 0.00 C ATOM 413 O ALA A 26 0.279 0.713 10.672 1.00 0.00 O ATOM 414 CB ALA A 26 -1.156 -1.542 8.823 1.00 0.00 C ATOM 0 H ALA A 26 -2.687 -2.338 10.573 1.00 0.00 H new ATOM 0 HA ALA A 26 0.169 -1.847 10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.391 -1.057 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.208 -2.600 8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.121 -1.074 8.631 1.00 0.00 H new ATOM 420 N GLY A 27 -1.903 0.644 10.988 1.00 0.00 N ATOM 421 CA GLY A 27 -1.964 2.089 11.355 1.00 0.00 C ATOM 422 C GLY A 27 -2.989 2.779 10.456 1.00 0.00 C ATOM 423 O GLY A 27 -2.773 3.874 9.974 1.00 0.00 O ATOM 0 H GLY A 27 -2.800 0.158 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.243 2.201 12.403 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.984 2.551 11.235 1.00 0.00 H new ATOM 427 N VAL A 28 -4.103 2.134 10.226 1.00 0.00 N ATOM 428 CA VAL A 28 -5.158 2.720 9.357 1.00 0.00 C ATOM 429 C VAL A 28 -6.322 3.175 10.237 1.00 0.00 C ATOM 430 O VAL A 28 -6.554 2.639 11.304 1.00 0.00 O ATOM 431 CB VAL A 28 -5.619 1.641 8.352 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.883 2.071 7.592 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.507 1.405 7.338 1.00 0.00 C ATOM 0 H VAL A 28 -4.326 1.216 10.609 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.779 3.580 8.805 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.845 0.734 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.174 1.285 6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.692 2.245 8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.681 2.988 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.822 0.645 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.294 2.334 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.609 1.067 7.855 1.00 0.00 H new ATOM 443 N LYS A 29 -7.058 4.154 9.785 1.00 0.00 N ATOM 444 CA LYS A 29 -8.215 4.646 10.578 1.00 0.00 C ATOM 445 C LYS A 29 -9.471 3.889 10.139 1.00 0.00 C ATOM 446 O LYS A 29 -9.674 3.633 8.967 1.00 0.00 O ATOM 447 CB LYS A 29 -8.395 6.148 10.337 1.00 0.00 C ATOM 448 CG LYS A 29 -7.956 6.925 11.584 1.00 0.00 C ATOM 449 CD LYS A 29 -7.219 8.206 11.171 1.00 0.00 C ATOM 450 CE LYS A 29 -7.870 9.416 11.844 1.00 0.00 C ATOM 451 NZ LYS A 29 -6.931 10.573 11.810 1.00 0.00 N ATOM 0 H LYS A 29 -6.905 4.634 8.898 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.041 4.477 11.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.806 6.461 9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.438 6.367 10.108 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.826 7.176 12.191 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.306 6.304 12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.169 8.141 11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.249 8.321 10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.798 9.673 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.129 9.175 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.746 10.899 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.037 10.281 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.354 11.347 11.259 1.00 0.00 H new ATOM 465 N ALA A 30 -10.310 3.527 11.074 1.00 0.00 N ATOM 466 CA ALA A 30 -11.553 2.781 10.724 1.00 0.00 C ATOM 467 C ALA A 30 -12.475 3.676 9.889 1.00 0.00 C ATOM 468 O ALA A 30 -13.296 3.194 9.131 1.00 0.00 O ATOM 469 CB ALA A 30 -12.273 2.354 12.004 1.00 0.00 C ATOM 0 H ALA A 30 -10.187 3.717 12.068 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.290 1.896 10.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.181 1.809 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.619 1.711 12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.533 3.237 12.587 1.00 0.00 H new ATOM 475 N ASN A 31 -12.349 4.973 10.026 1.00 0.00 N ATOM 476 CA ASN A 31 -13.214 5.902 9.249 1.00 0.00 C ATOM 477 C ASN A 31 -12.885 5.790 7.757 1.00 0.00 C ATOM 478 O ASN A 31 -13.725 6.038 6.911 1.00 0.00 O ATOM 479 CB ASN A 31 -12.962 7.336 9.733 1.00 0.00 C ATOM 480 CG ASN A 31 -14.296 8.029 10.022 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.649 8.990 9.371 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.055 7.573 10.981 1.00 0.00 N ATOM 0 H ASN A 31 -11.679 5.427 10.647 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.262 5.643 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.346 7.323 10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.409 7.893 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.947 8.025 11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.756 6.765 11.527 1.00 0.00 H new ATOM 489 N ARG A 32 -11.670 5.420 7.425 1.00 0.00 N ATOM 490 CA ARG A 32 -11.293 5.296 5.982 1.00 0.00 C ATOM 491 C ARG A 32 -10.833 3.867 5.681 1.00 0.00 C ATOM 492 O ARG A 32 -9.678 3.621 5.376 1.00 0.00 O ATOM 493 CB ARG A 32 -10.173 6.289 5.614 1.00 0.00 C ATOM 494 CG ARG A 32 -9.194 6.477 6.779 1.00 0.00 C ATOM 495 CD ARG A 32 -9.676 7.630 7.663 1.00 0.00 C ATOM 496 NE ARG A 32 -8.512 8.471 8.084 1.00 0.00 N ATOM 497 CZ ARG A 32 -8.686 9.684 8.571 1.00 0.00 C ATOM 498 NH1 ARG A 32 -9.884 10.206 8.711 1.00 0.00 N ATOM 499 NH2 ARG A 32 -7.642 10.384 8.926 1.00 0.00 N ATOM 0 H ARG A 32 -10.927 5.200 8.088 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.172 5.530 5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.635 5.926 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.610 7.250 5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.126 5.559 7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.194 6.688 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.398 8.239 7.119 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.188 7.237 8.541 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.567 8.099 7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.709 9.670 8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.989 11.147 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.706 9.991 8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.763 11.324 9.304 1.00 0.00 H new ATOM 513 N ILE A 33 -11.739 2.927 5.745 1.00 0.00 N ATOM 514 CA ILE A 33 -11.384 1.511 5.446 1.00 0.00 C ATOM 515 C ILE A 33 -12.018 1.131 4.104 1.00 0.00 C ATOM 516 O ILE A 33 -13.107 0.590 4.055 1.00 0.00 O ATOM 517 CB ILE A 33 -11.921 0.601 6.564 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.224 0.960 7.886 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.669 -0.880 6.227 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.719 0.680 7.792 1.00 0.00 C ATOM 0 H ILE A 33 -12.716 3.082 5.993 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.302 1.391 5.390 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.996 0.753 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.391 2.012 8.118 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.658 0.381 8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.056 -1.507 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.174 -1.132 5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.598 -1.051 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.241 0.940 8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.558 -0.378 7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.287 1.279 6.990 1.00 0.00 H new ATOM 532 N PHE A 34 -11.346 1.417 3.018 1.00 0.00 N ATOM 533 CA PHE A 34 -11.905 1.082 1.678 1.00 0.00 C ATOM 534 C PHE A 34 -11.702 -0.410 1.411 1.00 0.00 C ATOM 535 O PHE A 34 -10.803 -0.810 0.693 1.00 0.00 O ATOM 536 CB PHE A 34 -11.188 1.904 0.603 1.00 0.00 C ATOM 537 CG PHE A 34 -11.989 3.150 0.300 1.00 0.00 C ATOM 538 CD1 PHE A 34 -13.332 3.045 -0.084 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.389 4.409 0.405 1.00 0.00 C ATOM 540 CE1 PHE A 34 -14.073 4.198 -0.361 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.131 5.563 0.126 1.00 0.00 C ATOM 542 CZ PHE A 34 -13.474 5.458 -0.256 1.00 0.00 C ATOM 0 H PHE A 34 -10.432 1.869 3.004 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.969 1.315 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.189 2.176 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -11.065 1.309 -0.302 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -13.795 2.073 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.354 4.491 0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.109 4.116 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.667 6.535 0.205 1.00 0.00 H new ATOM 0 HZ PHE A 34 -14.047 6.348 -0.469 1.00 0.00 H new ATOM 552 N THR A 35 -12.532 -1.233 1.995 1.00 0.00 N ATOM 553 CA THR A 35 -12.405 -2.705 1.797 1.00 0.00 C ATOM 554 C THR A 35 -13.109 -3.118 0.500 1.00 0.00 C ATOM 555 O THR A 35 -13.915 -2.387 -0.042 1.00 0.00 O ATOM 556 CB THR A 35 -13.043 -3.435 2.985 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.947 -4.838 2.785 1.00 0.00 O ATOM 558 CG2 THR A 35 -14.519 -3.036 3.122 1.00 0.00 C ATOM 0 H THR A 35 -13.298 -0.946 2.605 1.00 0.00 H new ATOM 0 HA THR A 35 -11.350 -2.971 1.730 1.00 0.00 H new ATOM 0 HB THR A 35 -12.515 -3.157 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.888 -5.289 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.961 -3.561 3.969 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.592 -1.961 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.054 -3.303 2.211 1.00 0.00 H new ATOM 566 N ASP A 36 -12.807 -4.293 0.011 1.00 0.00 N ATOM 567 CA ASP A 36 -13.448 -4.781 -1.243 1.00 0.00 C ATOM 568 C ASP A 36 -14.079 -6.148 -0.974 1.00 0.00 C ATOM 569 O ASP A 36 -13.396 -7.153 -0.935 1.00 0.00 O ATOM 570 CB ASP A 36 -12.386 -4.911 -2.337 1.00 0.00 C ATOM 571 CG ASP A 36 -11.935 -3.519 -2.785 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.959 -2.614 -1.966 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.568 -3.380 -3.940 1.00 0.00 O ATOM 0 H ASP A 36 -12.139 -4.939 0.431 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.215 -4.079 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.533 -5.478 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.790 -5.464 -3.185 1.00 0.00 H new ATOM 578 N LYS A 37 -15.374 -6.189 -0.779 1.00 0.00 N ATOM 579 CA LYS A 37 -16.054 -7.490 -0.498 1.00 0.00 C ATOM 580 C LYS A 37 -16.023 -8.375 -1.749 1.00 0.00 C ATOM 581 O LYS A 37 -17.018 -8.543 -2.429 1.00 0.00 O ATOM 582 CB LYS A 37 -17.504 -7.230 -0.081 1.00 0.00 C ATOM 583 CG LYS A 37 -17.942 -8.289 0.936 1.00 0.00 C ATOM 584 CD LYS A 37 -17.146 -8.121 2.234 1.00 0.00 C ATOM 585 CE LYS A 37 -17.948 -8.695 3.405 1.00 0.00 C ATOM 586 NZ LYS A 37 -17.911 -10.186 3.354 1.00 0.00 N ATOM 0 H LYS A 37 -15.990 -5.376 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.532 -8.002 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.596 -6.234 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.155 -7.258 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.009 -8.194 1.138 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.783 -9.287 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.186 -8.631 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.933 -7.066 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.534 -8.343 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.979 -8.345 3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.456 -10.574 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.326 -10.513 2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.925 -10.511 3.418 1.00 0.00 H new ATOM 600 N ALA A 38 -14.883 -8.944 -2.052 1.00 0.00 N ATOM 601 CA ALA A 38 -14.765 -9.828 -3.251 1.00 0.00 C ATOM 602 C ALA A 38 -15.752 -10.995 -3.138 1.00 0.00 C ATOM 603 O ALA A 38 -16.195 -11.541 -4.131 1.00 0.00 O ATOM 604 CB ALA A 38 -13.339 -10.378 -3.325 1.00 0.00 C ATOM 0 H ALA A 38 -14.023 -8.833 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.992 -9.254 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.243 -11.025 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.634 -9.551 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.123 -10.951 -2.423 1.00 0.00 H new ATOM 661 N ASP A 44 -15.049 -7.190 -6.307 1.00 0.00 N ATOM 662 CA ASP A 44 -15.584 -5.955 -5.661 1.00 0.00 C ATOM 663 C ASP A 44 -14.493 -4.879 -5.633 1.00 0.00 C ATOM 664 O ASP A 44 -14.152 -4.353 -4.589 1.00 0.00 O ATOM 665 CB ASP A 44 -16.035 -6.278 -4.234 1.00 0.00 C ATOM 666 CG ASP A 44 -17.181 -5.346 -3.836 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.234 -5.441 -4.445 1.00 0.00 O ATOM 668 OD2 ASP A 44 -16.985 -4.551 -2.931 1.00 0.00 O ATOM 0 HA ASP A 44 -16.437 -5.585 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.359 -7.317 -4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.201 -6.161 -3.543 1.00 0.00 H new ATOM 673 N ARG A 45 -13.949 -4.547 -6.776 1.00 0.00 N ATOM 674 CA ARG A 45 -12.883 -3.503 -6.833 1.00 0.00 C ATOM 675 C ARG A 45 -13.506 -2.122 -6.586 1.00 0.00 C ATOM 676 O ARG A 45 -13.506 -1.264 -7.449 1.00 0.00 O ATOM 677 CB ARG A 45 -12.221 -3.533 -8.214 1.00 0.00 C ATOM 678 CG ARG A 45 -10.957 -2.672 -8.196 1.00 0.00 C ATOM 679 CD ARG A 45 -10.440 -2.496 -9.627 1.00 0.00 C ATOM 680 NE ARG A 45 -9.028 -2.004 -9.591 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.032 -2.797 -9.248 1.00 0.00 C ATOM 682 NH1 ARG A 45 -8.234 -4.051 -8.915 1.00 0.00 N ATOM 683 NH2 ARG A 45 -6.816 -2.323 -9.238 1.00 0.00 N ATOM 0 H ARG A 45 -14.199 -4.956 -7.676 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.133 -3.700 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.971 -4.558 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.915 -3.163 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.173 -1.699 -7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.193 -3.142 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.492 -3.444 -10.163 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.069 -1.789 -10.168 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.831 -1.034 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.180 -4.433 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.445 -4.643 -8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.646 -1.350 -9.493 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.036 -2.925 -8.975 1.00 0.00 H new ATOM 697 N LYS A 46 -14.038 -1.905 -5.407 1.00 0.00 N ATOM 698 CA LYS A 46 -14.663 -0.587 -5.091 1.00 0.00 C ATOM 699 C LYS A 46 -13.743 0.196 -4.156 1.00 0.00 C ATOM 700 O LYS A 46 -13.478 1.364 -4.367 1.00 0.00 O ATOM 701 CB LYS A 46 -16.013 -0.811 -4.402 1.00 0.00 C ATOM 702 CG LYS A 46 -16.933 -1.616 -5.323 1.00 0.00 C ATOM 703 CD LYS A 46 -18.379 -1.143 -5.151 1.00 0.00 C ATOM 704 CE LYS A 46 -18.856 -1.447 -3.729 1.00 0.00 C ATOM 705 NZ LYS A 46 -20.302 -1.806 -3.757 1.00 0.00 N ATOM 0 H LYS A 46 -14.065 -2.588 -4.650 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.815 -0.026 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.869 -1.342 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.472 0.147 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.622 -1.494 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.858 -2.678 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.447 -0.073 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.023 -1.641 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.275 -2.267 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -18.698 -0.580 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.627 -2.013 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.850 -1.011 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.440 -2.645 -4.356 1.00 0.00 H new ATOM 719 N GLY A 47 -13.251 -0.444 -3.122 1.00 0.00 N ATOM 720 CA GLY A 47 -12.343 0.253 -2.162 1.00 0.00 C ATOM 721 C GLY A 47 -11.128 0.806 -2.909 1.00 0.00 C ATOM 722 O GLY A 47 -10.611 1.855 -2.578 1.00 0.00 O ATOM 0 H GLY A 47 -13.441 -1.422 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.876 1.064 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.020 -0.439 -1.385 1.00 0.00 H new ATOM 726 N LEU A 48 -10.680 0.108 -3.920 1.00 0.00 N ATOM 727 CA LEU A 48 -9.505 0.583 -4.708 1.00 0.00 C ATOM 728 C LEU A 48 -9.966 1.656 -5.695 1.00 0.00 C ATOM 729 O LEU A 48 -9.337 2.687 -5.840 1.00 0.00 O ATOM 730 CB LEU A 48 -8.903 -0.601 -5.473 1.00 0.00 C ATOM 731 CG LEU A 48 -7.667 -0.148 -6.254 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.708 -1.326 -6.420 1.00 0.00 C ATOM 733 CD2 LEU A 48 -8.096 0.354 -7.634 1.00 0.00 C ATOM 0 H LEU A 48 -11.080 -0.776 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.752 1.004 -4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.632 -1.394 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.643 -1.016 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.167 0.654 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.828 -1.003 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.404 -1.689 -5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.207 -2.128 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.218 0.677 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.594 -0.450 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.782 1.193 -7.519 1.00 0.00 H new ATOM 745 N ASP A 49 -11.067 1.424 -6.370 1.00 0.00 N ATOM 746 CA ASP A 49 -11.582 2.434 -7.345 1.00 0.00 C ATOM 747 C ASP A 49 -11.898 3.730 -6.599 1.00 0.00 C ATOM 748 O ASP A 49 -11.691 4.817 -7.104 1.00 0.00 O ATOM 749 CB ASP A 49 -12.851 1.903 -8.014 1.00 0.00 C ATOM 750 CG ASP A 49 -12.902 2.381 -9.467 1.00 0.00 C ATOM 751 OD1 ASP A 49 -13.378 3.482 -9.689 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.465 1.639 -10.330 1.00 0.00 O ATOM 0 H ASP A 49 -11.631 0.578 -6.287 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.829 2.624 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.865 0.814 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.732 2.251 -7.475 1.00 0.00 H new ATOM 757 N LEU A 50 -12.384 3.615 -5.390 1.00 0.00 N ATOM 758 CA LEU A 50 -12.704 4.827 -4.585 1.00 0.00 C ATOM 759 C LEU A 50 -11.400 5.420 -4.045 1.00 0.00 C ATOM 760 O LEU A 50 -11.289 6.610 -3.840 1.00 0.00 O ATOM 761 CB LEU A 50 -13.621 4.442 -3.418 1.00 0.00 C ATOM 762 CG LEU A 50 -14.870 3.736 -3.953 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.366 2.720 -2.921 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.967 4.768 -4.215 1.00 0.00 C ATOM 0 H LEU A 50 -12.573 2.727 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.213 5.563 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.090 3.788 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.907 5.333 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.624 3.221 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.255 2.218 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.586 1.983 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.611 3.235 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.856 4.265 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.211 5.283 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.617 5.492 -4.950 1.00 0.00 H new ATOM 776 N LEU A 51 -10.408 4.594 -3.822 1.00 0.00 N ATOM 777 CA LEU A 51 -9.105 5.108 -3.307 1.00 0.00 C ATOM 778 C LEU A 51 -8.471 6.011 -4.365 1.00 0.00 C ATOM 779 O LEU A 51 -7.829 6.992 -4.048 1.00 0.00 O ATOM 780 CB LEU A 51 -8.171 3.927 -3.019 1.00 0.00 C ATOM 781 CG LEU A 51 -7.314 4.232 -1.793 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.202 4.291 -0.548 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.266 3.132 -1.616 1.00 0.00 C ATOM 0 H LEU A 51 -10.446 3.586 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.268 5.674 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.755 3.022 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.533 3.737 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.816 5.192 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.589 4.509 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.950 5.075 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.701 3.332 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.654 3.350 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.765 2.172 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.631 3.089 -2.501 1.00 0.00 H new ATOM 795 N ARG A 52 -8.651 5.683 -5.619 1.00 0.00 N ATOM 796 CA ARG A 52 -8.061 6.514 -6.710 1.00 0.00 C ATOM 797 C ARG A 52 -8.715 7.898 -6.721 1.00 0.00 C ATOM 798 O ARG A 52 -8.101 8.876 -7.107 1.00 0.00 O ATOM 799 CB ARG A 52 -8.293 5.821 -8.056 1.00 0.00 C ATOM 800 CG ARG A 52 -7.486 4.519 -8.101 1.00 0.00 C ATOM 801 CD ARG A 52 -8.045 3.608 -9.195 1.00 0.00 C ATOM 802 NE ARG A 52 -8.090 4.353 -10.490 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.577 3.802 -11.583 1.00 0.00 C ATOM 804 NH1 ARG A 52 -9.046 2.575 -11.586 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.592 4.493 -12.692 1.00 0.00 N ATOM 0 H ARG A 52 -9.183 4.872 -5.935 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.991 6.629 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.354 5.610 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.992 6.477 -8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.436 4.736 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.533 4.016 -7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.422 2.719 -9.296 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.044 3.268 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.736 5.309 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.039 2.024 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.417 2.173 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.230 5.446 -12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.966 4.079 -13.546 1.00 0.00 H new ATOM 819 N MET A 53 -9.953 7.991 -6.299 1.00 0.00 N ATOM 820 CA MET A 53 -10.642 9.316 -6.282 1.00 0.00 C ATOM 821 C MET A 53 -10.706 9.870 -4.843 1.00 0.00 C ATOM 822 O MET A 53 -10.992 11.034 -4.637 1.00 0.00 O ATOM 823 CB MET A 53 -12.052 9.172 -6.892 1.00 0.00 C ATOM 824 CG MET A 53 -13.005 8.448 -5.927 1.00 0.00 C ATOM 825 SD MET A 53 -13.911 9.664 -4.938 1.00 0.00 S ATOM 826 CE MET A 53 -14.944 10.313 -6.273 1.00 0.00 C ATOM 0 H MET A 53 -10.514 7.207 -5.966 1.00 0.00 H new ATOM 0 HA MET A 53 -10.077 10.027 -6.884 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.451 10.158 -7.129 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.991 8.619 -7.829 1.00 0.00 H new ATOM 0 HG2 MET A 53 -13.704 7.828 -6.488 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.441 7.782 -5.274 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.982 10.354 -5.943 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.608 11.315 -6.539 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.865 9.662 -7.143 1.00 0.00 H new ATOM 836 N LYS A 54 -10.436 9.049 -3.852 1.00 0.00 N ATOM 837 CA LYS A 54 -10.478 9.530 -2.439 1.00 0.00 C ATOM 838 C LYS A 54 -9.069 9.904 -1.988 1.00 0.00 C ATOM 839 O LYS A 54 -8.873 10.812 -1.204 1.00 0.00 O ATOM 840 CB LYS A 54 -10.996 8.417 -1.531 1.00 0.00 C ATOM 841 CG LYS A 54 -11.611 9.026 -0.264 1.00 0.00 C ATOM 842 CD LYS A 54 -13.139 9.000 -0.368 1.00 0.00 C ATOM 843 CE LYS A 54 -13.642 10.347 -0.891 1.00 0.00 C ATOM 844 NZ LYS A 54 -13.902 11.262 0.256 1.00 0.00 N ATOM 0 H LYS A 54 -10.188 8.066 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.136 10.397 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.741 7.822 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.181 7.744 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.287 8.467 0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.263 10.051 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.454 8.199 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.576 8.792 0.608 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.903 10.787 -1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.554 10.206 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.244 12.177 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.622 10.842 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.022 11.406 0.792 1.00 0.00 H new ATOM 858 N VAL A 55 -8.089 9.191 -2.472 1.00 0.00 N ATOM 859 CA VAL A 55 -6.680 9.460 -2.081 1.00 0.00 C ATOM 860 C VAL A 55 -6.313 10.926 -2.362 1.00 0.00 C ATOM 861 O VAL A 55 -6.635 11.468 -3.403 1.00 0.00 O ATOM 862 CB VAL A 55 -5.775 8.514 -2.877 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.853 8.835 -4.376 1.00 0.00 C ATOM 864 CG2 VAL A 55 -4.339 8.663 -2.395 1.00 0.00 C ATOM 0 H VAL A 55 -8.209 8.422 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.549 9.288 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.110 7.489 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.205 8.155 -4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.880 8.717 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.529 9.862 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.694 7.991 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.010 9.692 -2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.283 8.414 -1.335 1.00 0.00 H new ATOM 874 N GLU A 56 -5.643 11.565 -1.435 1.00 0.00 N ATOM 875 CA GLU A 56 -5.251 12.991 -1.633 1.00 0.00 C ATOM 876 C GLU A 56 -3.750 13.068 -1.923 1.00 0.00 C ATOM 877 O GLU A 56 -3.015 12.129 -1.683 1.00 0.00 O ATOM 878 CB GLU A 56 -5.571 13.789 -0.364 1.00 0.00 C ATOM 879 CG GLU A 56 -6.118 15.167 -0.745 1.00 0.00 C ATOM 880 CD GLU A 56 -6.932 15.735 0.420 1.00 0.00 C ATOM 881 OE1 GLU A 56 -8.030 15.252 0.639 1.00 0.00 O ATOM 882 OE2 GLU A 56 -6.442 16.642 1.071 1.00 0.00 O ATOM 0 H GLU A 56 -5.351 11.157 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.805 13.410 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.302 13.252 0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.673 13.899 0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.297 15.840 -0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.743 15.088 -1.635 1.00 0.00 H new ATOM 889 N GLU A 57 -3.294 14.181 -2.438 1.00 0.00 N ATOM 890 CA GLU A 57 -1.843 14.328 -2.750 1.00 0.00 C ATOM 891 C GLU A 57 -1.031 14.278 -1.453 1.00 0.00 C ATOM 892 O GLU A 57 -1.099 15.175 -0.634 1.00 0.00 O ATOM 893 CB GLU A 57 -1.606 15.665 -3.452 1.00 0.00 C ATOM 894 CG GLU A 57 -1.798 15.493 -4.959 1.00 0.00 C ATOM 895 CD GLU A 57 -2.047 16.858 -5.602 1.00 0.00 C ATOM 896 OE1 GLU A 57 -3.105 17.418 -5.367 1.00 0.00 O ATOM 897 OE2 GLU A 57 -1.175 17.321 -6.319 1.00 0.00 O ATOM 0 H GLU A 57 -3.867 14.996 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.528 13.514 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.298 16.416 -3.070 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.599 16.024 -3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.915 15.028 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.639 14.828 -5.155 1.00 0.00 H new ATOM 904 N GLY A 58 -0.263 13.236 -1.267 1.00 0.00 N ATOM 905 CA GLY A 58 0.563 13.114 -0.029 1.00 0.00 C ATOM 906 C GLY A 58 -0.168 12.251 1.004 1.00 0.00 C ATOM 907 O GLY A 58 0.085 12.349 2.190 1.00 0.00 O ATOM 0 H GLY A 58 -0.172 12.460 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.529 12.669 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.761 14.103 0.385 1.00 0.00 H new ATOM 911 N ASP A 59 -1.071 11.406 0.566 1.00 0.00 N ATOM 912 CA ASP A 59 -1.815 10.537 1.526 1.00 0.00 C ATOM 913 C ASP A 59 -1.057 9.220 1.716 1.00 0.00 C ATOM 914 O ASP A 59 -0.303 8.801 0.858 1.00 0.00 O ATOM 915 CB ASP A 59 -3.218 10.248 0.969 1.00 0.00 C ATOM 916 CG ASP A 59 -4.279 10.883 1.869 1.00 0.00 C ATOM 917 OD1 ASP A 59 -4.499 10.361 2.948 1.00 0.00 O ATOM 918 OD2 ASP A 59 -4.853 11.878 1.462 1.00 0.00 O ATOM 0 H ASP A 59 -1.323 11.282 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.903 11.045 2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.305 10.642 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.379 9.172 0.907 1.00 0.00 H new ATOM 923 N VAL A 60 -1.267 8.557 2.826 1.00 0.00 N ATOM 924 CA VAL A 60 -0.574 7.253 3.063 1.00 0.00 C ATOM 925 C VAL A 60 -1.589 6.121 2.896 1.00 0.00 C ATOM 926 O VAL A 60 -2.656 6.134 3.490 1.00 0.00 O ATOM 927 CB VAL A 60 0.037 7.179 4.475 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.410 7.850 4.475 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.871 7.871 5.499 1.00 0.00 C ATOM 0 H VAL A 60 -1.887 8.861 3.577 1.00 0.00 H new ATOM 0 HA VAL A 60 0.238 7.160 2.342 1.00 0.00 H new ATOM 0 HB VAL A 60 0.138 6.130 4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.841 7.797 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.065 7.338 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.305 8.894 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.419 7.806 6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.996 8.919 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.845 7.381 5.512 1.00 0.00 H new ATOM 939 N ILE A 61 -1.263 5.152 2.083 1.00 0.00 N ATOM 940 CA ILE A 61 -2.192 4.013 1.850 1.00 0.00 C ATOM 941 C ILE A 61 -1.565 2.729 2.400 1.00 0.00 C ATOM 942 O ILE A 61 -0.669 2.162 1.805 1.00 0.00 O ATOM 943 CB ILE A 61 -2.434 3.875 0.343 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.066 5.165 -0.184 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.372 2.699 0.055 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.693 5.347 -1.653 1.00 0.00 C ATOM 0 H ILE A 61 -0.385 5.102 1.567 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.141 4.190 2.357 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.480 3.693 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.150 5.123 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.719 6.018 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.532 2.616 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.925 1.777 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.327 2.865 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.142 6.265 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.609 5.407 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.062 4.499 -2.230 1.00 0.00 H new ATOM 958 N LEU A 62 -2.036 2.270 3.531 1.00 0.00 N ATOM 959 CA LEU A 62 -1.481 1.022 4.128 1.00 0.00 C ATOM 960 C LEU A 62 -2.122 -0.185 3.438 1.00 0.00 C ATOM 961 O LEU A 62 -3.317 -0.212 3.205 1.00 0.00 O ATOM 962 CB LEU A 62 -1.798 0.996 5.628 1.00 0.00 C ATOM 963 CG LEU A 62 -0.539 1.326 6.430 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.886 1.432 7.915 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.499 0.218 6.229 1.00 0.00 C ATOM 0 H LEU A 62 -2.784 2.709 4.068 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.400 0.987 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.584 1.716 5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.174 0.013 5.912 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.132 2.276 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.014 1.667 8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.624 2.221 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.296 0.483 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.397 0.453 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.088 -0.732 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.751 0.143 5.171 1.00 0.00 H new ATOM 977 N VAL A 63 -1.337 -1.180 3.106 1.00 0.00 N ATOM 978 CA VAL A 63 -1.900 -2.383 2.423 1.00 0.00 C ATOM 979 C VAL A 63 -1.371 -3.653 3.095 1.00 0.00 C ATOM 980 O VAL A 63 -0.178 -3.824 3.268 1.00 0.00 O ATOM 981 CB VAL A 63 -1.480 -2.377 0.951 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.191 -3.512 0.210 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.864 -1.038 0.316 1.00 0.00 C ATOM 0 H VAL A 63 -0.332 -1.210 3.279 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.987 -2.361 2.494 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.401 -2.518 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.891 -3.506 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.919 -4.467 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.270 -3.372 0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.565 -1.033 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.943 -0.898 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.358 -0.228 0.841 1.00 0.00 H new ATOM 1207 N ILE A 77 0.611 -3.239 -9.243 1.00 0.00 N ATOM 1208 CA ILE A 77 1.437 -2.108 -9.754 1.00 0.00 C ATOM 1209 C ILE A 77 0.527 -0.976 -10.249 1.00 0.00 C ATOM 1210 O ILE A 77 0.949 0.159 -10.347 1.00 0.00 O ATOM 1211 CB ILE A 77 2.320 -2.605 -10.906 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.204 -3.757 -10.407 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.210 -1.462 -11.411 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.595 -5.100 -10.824 1.00 0.00 C ATOM 0 HA ILE A 77 2.066 -1.728 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 77 1.686 -2.953 -11.722 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.209 -3.660 -10.818 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.298 -3.711 -9.322 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.835 -1.821 -12.229 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.584 -0.643 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.845 -1.109 -10.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.227 -5.913 -10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.599 -5.198 -10.392 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.525 -5.146 -11.911 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.710 -1.273 -10.571 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.633 -0.210 -11.070 1.00 0.00 C ATOM 1228 C GLN A 78 -1.798 0.881 -10.009 1.00 0.00 C ATOM 1229 O GLN A 78 -1.247 1.959 -10.134 1.00 0.00 O ATOM 1230 CB GLN A 78 -3.001 -0.831 -11.398 1.00 0.00 C ATOM 1231 CG GLN A 78 -3.287 -0.701 -12.897 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.566 0.763 -13.240 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.573 1.312 -12.838 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -2.712 1.423 -13.973 1.00 0.00 N ATOM 0 H GLN A 78 -1.118 -2.206 -10.509 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.213 0.236 -11.971 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.013 -1.881 -11.107 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.783 -0.333 -10.825 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.436 -1.064 -13.473 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.143 -1.318 -13.169 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.867 0.963 -14.311 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.890 2.399 -14.208 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.560 0.619 -8.975 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.763 1.661 -7.922 1.00 0.00 C ATOM 1245 C LEU A 79 -1.429 2.020 -7.245 1.00 0.00 C ATOM 1246 O LEU A 79 -1.332 3.032 -6.576 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.839 1.210 -6.894 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.357 0.124 -5.898 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -2.642 -1.019 -6.619 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.434 0.735 -4.834 1.00 0.00 C ATOM 0 H LEU A 79 -3.046 -0.263 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.137 2.567 -8.399 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.173 2.081 -6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.705 0.830 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.240 -0.285 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.318 -1.762 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.324 -1.483 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.774 -0.628 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.107 -0.044 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.564 1.179 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.974 1.504 -4.282 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.395 1.229 -7.429 1.00 0.00 N ATOM 1263 CA ILE A 80 0.921 1.563 -6.809 1.00 0.00 C ATOM 1264 C ILE A 80 1.650 2.546 -7.733 1.00 0.00 C ATOM 1265 O ILE A 80 2.417 3.372 -7.281 1.00 0.00 O ATOM 1266 CB ILE A 80 1.740 0.269 -6.607 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.154 -0.495 -5.411 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.220 0.592 -6.329 1.00 0.00 C ATOM 1269 CD1 ILE A 80 1.916 -1.809 -5.200 1.00 0.00 C ATOM 0 H ILE A 80 -0.410 0.371 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 80 0.785 2.026 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 80 1.686 -0.333 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.216 0.118 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.098 -0.702 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.775 -0.336 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.637 1.142 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.297 1.199 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.492 -2.343 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.832 -2.426 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.967 -1.593 -5.006 1.00 0.00 H new ATOM 1281 N LYS A 81 1.406 2.468 -9.018 1.00 0.00 N ATOM 1282 CA LYS A 81 2.068 3.397 -9.965 1.00 0.00 C ATOM 1283 C LYS A 81 1.148 4.616 -10.142 1.00 0.00 C ATOM 1284 O LYS A 81 1.606 5.731 -10.307 1.00 0.00 O ATOM 1285 CB LYS A 81 2.307 2.641 -11.291 1.00 0.00 C ATOM 1286 CG LYS A 81 2.468 3.607 -12.472 1.00 0.00 C ATOM 1287 CD LYS A 81 1.081 3.940 -13.037 1.00 0.00 C ATOM 1288 CE LYS A 81 0.952 3.400 -14.464 1.00 0.00 C ATOM 1289 NZ LYS A 81 1.239 4.493 -15.437 1.00 0.00 N ATOM 0 H LYS A 81 0.772 1.794 -9.447 1.00 0.00 H new ATOM 0 HA LYS A 81 3.034 3.748 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.200 2.023 -11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.471 1.968 -11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.971 4.518 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.091 3.157 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.308 3.505 -12.404 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.927 5.019 -13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.645 2.573 -14.615 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.052 3.008 -14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.151 4.127 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.561 5.269 -15.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.205 4.847 -15.287 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.144 4.404 -10.097 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.101 5.541 -10.248 1.00 0.00 C ATOM 1305 C GLU A 82 -0.908 6.499 -9.073 1.00 0.00 C ATOM 1306 O GLU A 82 -0.834 7.700 -9.245 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.540 5.004 -10.255 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.340 5.692 -11.364 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.634 4.914 -11.618 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -5.293 4.568 -10.651 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -4.943 4.678 -12.774 1.00 0.00 O ATOM 0 H GLU A 82 -0.577 3.490 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.917 6.065 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.535 3.925 -10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.011 5.184 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.570 6.718 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.747 5.741 -12.278 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.814 5.967 -7.881 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.609 6.833 -6.685 1.00 0.00 C ATOM 1320 C PHE A 83 0.841 7.325 -6.657 1.00 0.00 C ATOM 1321 O PHE A 83 1.140 8.359 -6.090 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.911 6.025 -5.415 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.316 5.432 -5.449 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.302 5.924 -6.326 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.630 4.381 -4.582 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.583 5.364 -6.327 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -3.912 3.822 -4.585 1.00 0.00 C ATOM 1328 CZ PHE A 83 -4.888 4.314 -5.457 1.00 0.00 C ATOM 0 H PHE A 83 -0.871 4.967 -7.686 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.278 7.692 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.179 5.224 -5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.808 6.668 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.068 6.736 -6.999 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.879 3.999 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.337 5.743 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.148 3.010 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 83 -5.878 3.882 -5.458 1.00 0.00 H new ATOM 1338 N ASP A 84 1.742 6.597 -7.276 1.00 0.00 N ATOM 1339 CA ASP A 84 3.173 7.024 -7.300 1.00 0.00 C ATOM 1340 C ASP A 84 3.280 8.393 -7.974 1.00 0.00 C ATOM 1341 O ASP A 84 3.867 9.317 -7.444 1.00 0.00 O ATOM 1342 CB ASP A 84 3.991 6.004 -8.097 1.00 0.00 C ATOM 1343 CG ASP A 84 5.476 6.364 -8.019 1.00 0.00 C ATOM 1344 OD1 ASP A 84 6.099 6.014 -7.030 1.00 0.00 O ATOM 1345 OD2 ASP A 84 5.965 6.985 -8.949 1.00 0.00 O ATOM 0 H ASP A 84 1.544 5.724 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 84 3.555 7.086 -6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.828 5.002 -7.700 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.663 5.992 -9.137 1.00 0.00 H new ATOM 1350 N ALA A 85 2.716 8.517 -9.145 1.00 0.00 N ATOM 1351 CA ALA A 85 2.768 9.812 -9.882 1.00 0.00 C ATOM 1352 C ALA A 85 1.851 10.843 -9.209 1.00 0.00 C ATOM 1353 O ALA A 85 1.993 12.033 -9.421 1.00 0.00 O ATOM 1354 CB ALA A 85 2.303 9.589 -11.323 1.00 0.00 C ATOM 0 H ALA A 85 2.217 7.769 -9.627 1.00 0.00 H new ATOM 0 HA ALA A 85 3.792 10.187 -9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.339 10.533 -11.867 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.957 8.865 -11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.281 9.210 -11.321 1.00 0.00 H new ATOM 1360 N GLN A 86 0.909 10.403 -8.407 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.014 11.359 -7.737 1.00 0.00 C ATOM 1362 C GLN A 86 0.648 11.970 -6.487 1.00 0.00 C ATOM 1363 O GLN A 86 0.034 12.749 -5.782 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.292 10.610 -7.332 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.447 11.016 -8.252 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.757 11.013 -7.462 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.881 10.322 -6.470 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -4.749 11.761 -7.863 1.00 0.00 N ATOM 0 H GLN A 86 0.744 9.420 -8.191 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.254 12.168 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.128 9.534 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.544 10.836 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.263 12.007 -8.668 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.516 10.326 -9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.646 12.341 -8.695 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.627 11.765 -7.344 1.00 0.00 H new ATOM 1377 N GLY A 87 1.886 11.629 -6.203 1.00 0.00 N ATOM 1378 CA GLY A 87 2.562 12.197 -4.999 1.00 0.00 C ATOM 1379 C GLY A 87 1.951 11.585 -3.740 1.00 0.00 C ATOM 1380 O GLY A 87 1.871 12.216 -2.704 1.00 0.00 O ATOM 0 H GLY A 87 2.452 10.984 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.631 11.989 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.449 13.281 -4.982 1.00 0.00 H new ATOM 1384 N VAL A 88 1.515 10.355 -3.829 1.00 0.00 N ATOM 1385 CA VAL A 88 0.899 9.680 -2.651 1.00 0.00 C ATOM 1386 C VAL A 88 1.821 8.553 -2.179 1.00 0.00 C ATOM 1387 O VAL A 88 2.580 7.993 -2.949 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.469 9.121 -3.061 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.107 8.350 -1.898 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.383 10.283 -3.452 1.00 0.00 C ATOM 0 H VAL A 88 1.560 9.786 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 88 0.764 10.388 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.336 8.441 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.077 7.961 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.459 7.522 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.239 9.019 -1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.359 9.896 -3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.500 10.956 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.943 10.827 -4.287 1.00 0.00 H new ATOM 1400 N SER A 89 1.762 8.225 -0.914 1.00 0.00 N ATOM 1401 CA SER A 89 2.631 7.142 -0.374 1.00 0.00 C ATOM 1402 C SER A 89 1.782 5.916 -0.036 1.00 0.00 C ATOM 1403 O SER A 89 0.671 6.032 0.442 1.00 0.00 O ATOM 1404 CB SER A 89 3.339 7.640 0.889 1.00 0.00 C ATOM 1405 OG SER A 89 4.660 8.046 0.555 1.00 0.00 O ATOM 0 H SER A 89 1.146 8.664 -0.230 1.00 0.00 H new ATOM 0 HA SER A 89 3.373 6.867 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.788 8.474 1.324 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.367 6.850 1.640 1.00 0.00 H new ATOM 0 HG SER A 89 5.117 8.367 1.360 1.00 0.00 H new ATOM 1411 N ILE A 90 2.308 4.741 -0.272 1.00 0.00 N ATOM 1412 CA ILE A 90 1.549 3.497 0.044 1.00 0.00 C ATOM 1413 C ILE A 90 2.374 2.653 1.017 1.00 0.00 C ATOM 1414 O ILE A 90 3.328 2.005 0.633 1.00 0.00 O ATOM 1415 CB ILE A 90 1.286 2.703 -1.237 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.535 3.593 -2.237 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.440 1.468 -0.906 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.282 2.820 -3.532 1.00 0.00 C ATOM 0 H ILE A 90 3.234 4.591 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 90 0.591 3.755 0.495 1.00 0.00 H new ATOM 0 HB ILE A 90 2.232 2.384 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.412 3.920 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.116 4.491 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.252 0.901 -1.818 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.975 0.841 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.509 1.783 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.251 3.457 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.234 2.516 -3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.318 1.936 -3.317 1.00 0.00 H new ATOM 1430 N ARG A 91 2.010 2.666 2.270 1.00 0.00 N ATOM 1431 CA ARG A 91 2.766 1.878 3.284 1.00 0.00 C ATOM 1432 C ARG A 91 2.366 0.405 3.191 1.00 0.00 C ATOM 1433 O ARG A 91 1.265 0.077 2.793 1.00 0.00 O ATOM 1434 CB ARG A 91 2.434 2.412 4.678 1.00 0.00 C ATOM 1435 CG ARG A 91 2.778 3.899 4.752 1.00 0.00 C ATOM 1436 CD ARG A 91 3.284 4.236 6.156 1.00 0.00 C ATOM 1437 NE ARG A 91 4.227 5.395 6.081 1.00 0.00 N ATOM 1438 CZ ARG A 91 4.858 5.838 7.150 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.686 5.283 8.329 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.671 6.854 7.036 1.00 0.00 N ATOM 0 H ARG A 91 1.217 3.192 2.637 1.00 0.00 H new ATOM 0 HA ARG A 91 3.836 1.971 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.376 2.262 4.894 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.995 1.861 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.539 4.145 4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.899 4.499 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.445 4.478 6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.787 3.372 6.590 1.00 0.00 H new ATOM 0 HE ARG A 91 4.385 5.852 5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.052 4.490 8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.186 5.645 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.812 7.295 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.165 7.206 7.856 1.00 0.00 H new ATOM 1454 N PHE A 92 3.258 -0.480 3.553 1.00 0.00 N ATOM 1455 CA PHE A 92 2.943 -1.937 3.489 1.00 0.00 C ATOM 1456 C PHE A 92 3.225 -2.580 4.848 1.00 0.00 C ATOM 1457 O PHE A 92 4.184 -2.244 5.516 1.00 0.00 O ATOM 1458 CB PHE A 92 3.810 -2.601 2.417 1.00 0.00 C ATOM 1459 CG PHE A 92 3.137 -2.472 1.072 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.238 -3.456 0.642 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.409 -1.369 0.254 1.00 0.00 C ATOM 1462 CE1 PHE A 92 1.613 -3.336 -0.605 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.783 -1.248 -0.992 1.00 0.00 C ATOM 1464 CZ PHE A 92 1.885 -2.232 -1.421 1.00 0.00 C ATOM 0 H PHE A 92 4.194 -0.255 3.891 1.00 0.00 H new ATOM 0 HA PHE A 92 1.891 -2.071 3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.794 -2.133 2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.964 -3.653 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.027 -4.307 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.103 -0.610 0.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.921 -4.096 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.993 -0.396 -1.622 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.402 -2.139 -2.382 1.00 0.00 H new ATOM 1474 N ILE A 93 2.392 -3.501 5.258 1.00 0.00 N ATOM 1475 CA ILE A 93 2.595 -4.175 6.574 1.00 0.00 C ATOM 1476 C ILE A 93 3.921 -4.953 6.544 1.00 0.00 C ATOM 1477 O ILE A 93 4.574 -5.123 7.555 1.00 0.00 O ATOM 1478 CB ILE A 93 1.392 -5.107 6.843 1.00 0.00 C ATOM 1479 CG1 ILE A 93 1.370 -5.542 8.326 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.421 -6.334 5.915 1.00 0.00 C ATOM 1481 CD1 ILE A 93 2.515 -6.515 8.654 1.00 0.00 C ATOM 0 H ILE A 93 1.575 -3.817 4.734 1.00 0.00 H new ATOM 0 HA ILE A 93 2.653 -3.445 7.381 1.00 0.00 H new ATOM 0 HB ILE A 93 0.478 -4.552 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.447 -4.662 8.964 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.415 -6.016 8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.563 -6.971 6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.381 -6.006 4.876 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.340 -6.895 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.463 -6.796 9.706 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.423 -7.407 8.035 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.471 -6.032 8.454 1.00 0.00 H new