USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 724 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 24 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.26) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0055 X(o=-0.0055,f=-0.16) USER MOD Single : A 18 THR OG1 : rot -30:sc= 0.0999 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 74:sc= 0.113 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0392) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.2!) USER MOD Single : A 39 MET CE :methyl -173:sc= -1 (180deg=-1.22) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -3.47 X(o=-3.5,f=-3.7!) USER MOD Single : A 56 GLN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 57 MET CE :methyl -110:sc= -2.8 (180deg=-4.69!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 104:sc= 0.33 USER MOD Single : A 73 SER OG : rot -150:sc= 0 USER MOD Single : A 74 ASN : amide:sc=-0.000656 X(o=-0.00066,f=-0.011) USER MOD Single : A 76 MET CE :methyl -172:sc= -1.11 (180deg=-1.31) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 130:sc= -1.25 USER MOD Single : A 80 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.156) USER MOD Single : A 81 GLN : amide:sc= -0.573 K(o=-0.57,f=-5.1!) USER MOD Single : A 83 MET CE :methyl -150:sc= -0.261 (180deg=-0.587) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -6:sc= -1.47 USER MOD ----------------------------------------------------------------- ATOM 88 N TYR A 10 -7.535 -8.945 -2.610 1.00 0.00 N ATOM 89 CA TYR A 10 -6.705 -7.943 -1.965 1.00 0.00 C ATOM 90 C TYR A 10 -5.836 -7.208 -2.988 1.00 0.00 C ATOM 91 O TYR A 10 -5.957 -5.995 -3.154 1.00 0.00 O ATOM 92 CB TYR A 10 -5.798 -8.706 -0.997 1.00 0.00 C ATOM 93 CG TYR A 10 -6.545 -9.384 0.153 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.174 -8.618 1.114 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.591 -10.761 0.229 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.877 -9.256 2.196 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.295 -11.399 1.312 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.903 -10.615 2.242 1.00 0.00 C ATOM 99 OH TYR A 10 -8.567 -11.217 3.264 1.00 0.00 O ATOM 0 HA TYR A 10 -7.323 -7.200 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.245 -9.463 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.064 -8.015 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.139 -7.540 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.099 -11.360 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.373 -8.668 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.339 -12.476 1.384 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.503 -12.190 3.168 1.00 0.00 H new ATOM 109 N GLU A 11 -4.979 -7.974 -3.647 1.00 0.00 N ATOM 110 CA GLU A 11 -4.090 -7.412 -4.649 1.00 0.00 C ATOM 111 C GLU A 11 -4.819 -6.341 -5.464 1.00 0.00 C ATOM 112 O GLU A 11 -4.324 -5.224 -5.611 1.00 0.00 O ATOM 113 CB GLU A 11 -3.528 -8.505 -5.560 1.00 0.00 C ATOM 114 CG GLU A 11 -2.654 -9.481 -4.770 1.00 0.00 C ATOM 115 CD GLU A 11 -3.474 -10.676 -4.277 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.333 -10.450 -3.397 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.223 -11.787 -4.791 1.00 0.00 O ATOM 0 H GLU A 11 -4.882 -8.980 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.249 -6.943 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.347 -9.046 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.942 -8.051 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.835 -9.832 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.206 -8.967 -3.920 1.00 0.00 H new ATOM 124 N GLN A 12 -5.982 -6.719 -5.972 1.00 0.00 N ATOM 125 CA GLN A 12 -6.784 -5.805 -6.768 1.00 0.00 C ATOM 126 C GLN A 12 -6.955 -4.473 -6.035 1.00 0.00 C ATOM 127 O GLN A 12 -6.454 -3.444 -6.486 1.00 0.00 O ATOM 128 CB GLN A 12 -8.142 -6.422 -7.109 1.00 0.00 C ATOM 129 CG GLN A 12 -8.920 -5.532 -8.081 1.00 0.00 C ATOM 130 CD GLN A 12 -10.387 -5.416 -7.665 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.016 -6.371 -7.240 1.00 0.00 O ATOM 132 NE2 GLN A 12 -10.895 -4.195 -7.809 1.00 0.00 N ATOM 0 H GLN A 12 -6.389 -7.646 -5.848 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.262 -5.617 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.997 -7.408 -7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.721 -6.563 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.468 -4.541 -8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.856 -5.944 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.313 -3.440 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.867 -4.014 -7.557 1.00 0.00 H new ATOM 141 N ASP A 13 -7.664 -4.536 -4.918 1.00 0.00 N ATOM 142 CA ASP A 13 -7.907 -3.347 -4.118 1.00 0.00 C ATOM 143 C ASP A 13 -6.619 -2.526 -4.028 1.00 0.00 C ATOM 144 O ASP A 13 -6.570 -1.388 -4.492 1.00 0.00 O ATOM 145 CB ASP A 13 -8.332 -3.717 -2.696 1.00 0.00 C ATOM 146 CG ASP A 13 -8.978 -2.583 -1.898 1.00 0.00 C ATOM 147 OD1 ASP A 13 -9.634 -1.737 -2.543 1.00 0.00 O ATOM 148 OD2 ASP A 13 -8.802 -2.587 -0.660 1.00 0.00 O ATOM 0 H ASP A 13 -8.078 -5.391 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.704 -2.777 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.033 -4.550 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.456 -4.071 -2.152 1.00 0.00 H new ATOM 153 N PHE A 14 -5.607 -3.135 -3.427 1.00 0.00 N ATOM 154 CA PHE A 14 -4.323 -2.475 -3.271 1.00 0.00 C ATOM 155 C PHE A 14 -3.838 -1.895 -4.601 1.00 0.00 C ATOM 156 O PHE A 14 -3.571 -0.698 -4.700 1.00 0.00 O ATOM 157 CB PHE A 14 -3.328 -3.538 -2.799 1.00 0.00 C ATOM 158 CG PHE A 14 -1.887 -3.036 -2.689 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.069 -3.074 -3.775 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.423 -2.553 -1.505 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.269 -2.608 -3.673 1.00 0.00 C ATOM 162 CE2 PHE A 14 -0.086 -2.087 -1.403 1.00 0.00 C ATOM 163 CZ PHE A 14 0.732 -2.125 -2.489 1.00 0.00 C ATOM 0 H PHE A 14 -5.651 -4.079 -3.042 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.411 -1.655 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.647 -3.913 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.357 -4.380 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.437 -3.458 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.072 -2.524 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.918 -2.637 -4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.282 -1.702 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.750 -1.771 -2.411 1.00 0.00 H new ATOM 173 N ALA A 15 -3.739 -2.770 -5.591 1.00 0.00 N ATOM 174 CA ALA A 15 -3.292 -2.360 -6.911 1.00 0.00 C ATOM 175 C ALA A 15 -3.985 -1.051 -7.295 1.00 0.00 C ATOM 176 O ALA A 15 -3.324 -0.073 -7.640 1.00 0.00 O ATOM 177 CB ALA A 15 -3.565 -3.482 -7.914 1.00 0.00 C ATOM 0 H ALA A 15 -3.961 -3.762 -5.505 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.218 -2.177 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.230 -3.174 -8.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.026 -4.380 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.634 -3.693 -7.942 1.00 0.00 H new ATOM 183 N VAL A 16 -5.308 -1.076 -7.223 1.00 0.00 N ATOM 184 CA VAL A 16 -6.098 0.096 -7.560 1.00 0.00 C ATOM 185 C VAL A 16 -5.646 1.276 -6.696 1.00 0.00 C ATOM 186 O VAL A 16 -5.331 2.345 -7.216 1.00 0.00 O ATOM 187 CB VAL A 16 -7.588 -0.217 -7.411 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.406 1.067 -7.260 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.093 -1.053 -8.589 1.00 0.00 C ATOM 0 H VAL A 16 -5.853 -1.889 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.941 0.376 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.717 -0.805 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.462 0.816 -7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.073 1.609 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.267 1.693 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.155 -1.262 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.943 -0.502 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.541 -1.992 -8.632 1.00 0.00 H new ATOM 199 N LEU A 17 -5.628 1.041 -5.393 1.00 0.00 N ATOM 200 CA LEU A 17 -5.220 2.070 -4.452 1.00 0.00 C ATOM 201 C LEU A 17 -3.898 2.684 -4.917 1.00 0.00 C ATOM 202 O LEU A 17 -3.869 3.818 -5.393 1.00 0.00 O ATOM 203 CB LEU A 17 -5.171 1.508 -3.030 1.00 0.00 C ATOM 204 CG LEU A 17 -6.494 1.512 -2.261 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.416 0.605 -1.032 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.912 2.937 -1.896 1.00 0.00 C ATOM 0 H LEU A 17 -5.890 0.152 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.954 2.875 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.805 0.482 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.440 2.081 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.269 1.107 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.369 0.626 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.198 -0.416 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.626 0.957 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.855 2.911 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.144 3.393 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.035 3.524 -2.806 1.00 0.00 H new ATOM 218 N THR A 18 -2.835 1.908 -4.762 1.00 0.00 N ATOM 219 CA THR A 18 -1.513 2.361 -5.160 1.00 0.00 C ATOM 220 C THR A 18 -1.592 3.155 -6.465 1.00 0.00 C ATOM 221 O THR A 18 -0.875 4.139 -6.641 1.00 0.00 O ATOM 222 CB THR A 18 -0.600 1.136 -5.247 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.203 0.325 -6.252 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.657 0.271 -3.986 1.00 0.00 C ATOM 0 H THR A 18 -2.863 0.968 -4.366 1.00 0.00 H new ATOM 0 HA THR A 18 -1.091 3.047 -4.425 1.00 0.00 H new ATOM 0 HB THR A 18 0.427 1.460 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.171 0.475 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.009 -0.584 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.344 0.862 -3.125 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.677 -0.082 -3.832 1.00 0.00 H new ATOM 232 N ALA A 19 -2.469 2.697 -7.347 1.00 0.00 N ATOM 233 CA ALA A 19 -2.650 3.353 -8.631 1.00 0.00 C ATOM 234 C ALA A 19 -3.173 4.773 -8.404 1.00 0.00 C ATOM 235 O ALA A 19 -2.469 5.746 -8.668 1.00 0.00 O ATOM 236 CB ALA A 19 -3.590 2.517 -9.502 1.00 0.00 C ATOM 0 H ALA A 19 -3.061 1.880 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.700 3.433 -9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.726 3.008 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.159 1.528 -9.657 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.555 2.419 -9.005 1.00 0.00 H new ATOM 242 N GLU A 20 -4.403 4.846 -7.918 1.00 0.00 N ATOM 243 CA GLU A 20 -5.028 6.130 -7.654 1.00 0.00 C ATOM 244 C GLU A 20 -4.087 7.021 -6.841 1.00 0.00 C ATOM 245 O GLU A 20 -4.065 8.238 -7.024 1.00 0.00 O ATOM 246 CB GLU A 20 -6.368 5.951 -6.937 1.00 0.00 C ATOM 247 CG GLU A 20 -7.444 6.846 -7.554 1.00 0.00 C ATOM 248 CD GLU A 20 -7.860 6.331 -8.934 1.00 0.00 C ATOM 249 OE1 GLU A 20 -7.195 6.732 -9.913 1.00 0.00 O ATOM 250 OE2 GLU A 20 -8.834 5.548 -8.978 1.00 0.00 O ATOM 0 H GLU A 20 -4.984 4.036 -7.700 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.226 6.618 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.680 4.908 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.254 6.190 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.313 6.881 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.069 7.866 -7.640 1.00 0.00 H new ATOM 257 N ILE A 21 -3.331 6.382 -5.960 1.00 0.00 N ATOM 258 CA ILE A 21 -2.390 7.101 -5.119 1.00 0.00 C ATOM 259 C ILE A 21 -1.290 7.705 -5.994 1.00 0.00 C ATOM 260 O ILE A 21 -1.161 8.926 -6.081 1.00 0.00 O ATOM 261 CB ILE A 21 -1.862 6.192 -4.007 1.00 0.00 C ATOM 262 CG1 ILE A 21 -2.996 5.736 -3.087 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.733 6.874 -3.232 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.536 4.600 -2.172 1.00 0.00 C ATOM 0 H ILE A 21 -3.351 5.373 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.886 7.929 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.442 5.297 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.340 6.576 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.844 5.405 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.376 6.207 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.086 7.106 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.104 7.795 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.361 4.295 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.215 3.752 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.704 4.942 -1.557 1.00 0.00 H new ATOM 276 N THR A 22 -0.524 6.824 -6.619 1.00 0.00 N ATOM 277 CA THR A 22 0.561 7.255 -7.484 1.00 0.00 C ATOM 278 C THR A 22 0.137 8.476 -8.303 1.00 0.00 C ATOM 279 O THR A 22 0.856 9.473 -8.356 1.00 0.00 O ATOM 280 CB THR A 22 0.983 6.062 -8.345 1.00 0.00 C ATOM 281 OG1 THR A 22 2.396 6.202 -8.464 1.00 0.00 O ATOM 282 CG2 THR A 22 0.475 6.170 -9.784 1.00 0.00 C ATOM 0 H THR A 22 -0.633 5.813 -6.544 1.00 0.00 H new ATOM 0 HA THR A 22 1.426 7.576 -6.903 1.00 0.00 H new ATOM 0 HB THR A 22 0.610 5.141 -7.897 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.753 5.468 -9.006 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.802 5.299 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.614 6.214 -9.783 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.875 7.074 -10.244 1.00 0.00 H new ATOM 290 N SER A 23 -1.028 8.357 -8.922 1.00 0.00 N ATOM 291 CA SER A 23 -1.557 9.439 -9.736 1.00 0.00 C ATOM 292 C SER A 23 -1.630 10.726 -8.912 1.00 0.00 C ATOM 293 O SER A 23 -1.019 11.732 -9.271 1.00 0.00 O ATOM 294 CB SER A 23 -2.937 9.086 -10.292 1.00 0.00 C ATOM 295 OG SER A 23 -2.927 7.850 -11.002 1.00 0.00 O ATOM 0 H SER A 23 -1.621 7.528 -8.877 1.00 0.00 H new ATOM 0 HA SER A 23 -0.884 9.593 -10.580 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.654 9.028 -9.473 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.275 9.882 -10.955 1.00 0.00 H new ATOM 0 HG SER A 23 -2.868 7.107 -10.365 1.00 0.00 H new ATOM 301 N LYS A 24 -2.382 10.653 -7.824 1.00 0.00 N ATOM 302 CA LYS A 24 -2.543 11.800 -6.947 1.00 0.00 C ATOM 303 C LYS A 24 -1.164 12.336 -6.558 1.00 0.00 C ATOM 304 O LYS A 24 -0.938 13.546 -6.571 1.00 0.00 O ATOM 305 CB LYS A 24 -3.422 11.438 -5.748 1.00 0.00 C ATOM 306 CG LYS A 24 -4.864 11.175 -6.186 1.00 0.00 C ATOM 307 CD LYS A 24 -5.579 10.256 -5.193 1.00 0.00 C ATOM 308 CE LYS A 24 -7.091 10.262 -5.431 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.818 10.166 -4.146 1.00 0.00 N ATOM 0 H LYS A 24 -2.887 9.817 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.065 12.605 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.021 10.554 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.401 12.248 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.402 12.120 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.870 10.721 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.196 9.240 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.366 10.580 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.380 11.175 -5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.367 9.427 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.724 9.679 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.246 9.631 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.996 11.121 -3.775 1.00 0.00 H new ATOM 323 N ILE A 25 -0.277 11.411 -6.222 1.00 0.00 N ATOM 324 CA ILE A 25 1.074 11.776 -5.831 1.00 0.00 C ATOM 325 C ILE A 25 1.702 12.641 -6.926 1.00 0.00 C ATOM 326 O ILE A 25 2.633 13.400 -6.664 1.00 0.00 O ATOM 327 CB ILE A 25 1.889 10.527 -5.490 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.431 9.918 -4.163 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.388 10.833 -5.494 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.976 8.498 -3.995 1.00 0.00 C ATOM 0 H ILE A 25 -0.468 10.409 -6.212 1.00 0.00 H new ATOM 0 HA ILE A 25 1.058 12.376 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 25 1.711 9.781 -6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.770 10.542 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.342 9.901 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.945 9.929 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.685 11.185 -6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.604 11.604 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.636 8.088 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.615 7.871 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.066 8.522 -4.011 1.00 0.00 H new ATOM 342 N ALA A 26 1.166 12.496 -8.129 1.00 0.00 N ATOM 343 CA ALA A 26 1.662 13.254 -9.265 1.00 0.00 C ATOM 344 C ALA A 26 0.869 14.557 -9.389 1.00 0.00 C ATOM 345 O ALA A 26 1.357 15.533 -9.957 1.00 0.00 O ATOM 346 CB ALA A 26 1.576 12.396 -10.529 1.00 0.00 C ATOM 0 H ALA A 26 0.393 11.865 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 26 2.710 13.518 -9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.948 12.965 -11.381 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.180 11.498 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.538 12.113 -10.707 1.00 0.00 H new ATOM 352 N ARG A 27 -0.340 14.530 -8.848 1.00 0.00 N ATOM 353 CA ARG A 27 -1.206 15.696 -8.891 1.00 0.00 C ATOM 354 C ARG A 27 -1.045 16.523 -7.614 1.00 0.00 C ATOM 355 O ARG A 27 -1.594 17.619 -7.507 1.00 0.00 O ATOM 356 CB ARG A 27 -2.672 15.288 -9.046 1.00 0.00 C ATOM 357 CG ARG A 27 -3.234 15.760 -10.388 1.00 0.00 C ATOM 358 CD ARG A 27 -4.597 16.432 -10.207 1.00 0.00 C ATOM 359 NE ARG A 27 -5.434 16.209 -11.407 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.382 16.968 -12.511 1.00 0.00 C ATOM 361 NH1 ARG A 27 -4.533 18.002 -12.573 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.179 16.692 -13.551 1.00 0.00 N ATOM 0 H ARG A 27 -0.741 13.719 -8.377 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.915 16.294 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.761 14.204 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.259 15.713 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.538 16.460 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.330 14.911 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.096 16.030 -9.325 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.465 17.501 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.091 15.429 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.926 18.212 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.493 18.580 -13.413 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.825 15.904 -13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.140 17.269 -14.391 1.00 0.00 H new ATOM 376 N VAL A 28 -0.290 15.968 -6.678 1.00 0.00 N ATOM 377 CA VAL A 28 -0.050 16.640 -5.413 1.00 0.00 C ATOM 378 C VAL A 28 0.767 17.909 -5.662 1.00 0.00 C ATOM 379 O VAL A 28 0.404 18.988 -5.194 1.00 0.00 O ATOM 380 CB VAL A 28 0.621 15.680 -4.429 1.00 0.00 C ATOM 381 CG1 VAL A 28 1.741 16.381 -3.656 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.405 15.069 -3.473 1.00 0.00 C ATOM 0 H VAL A 28 0.164 15.059 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.992 16.944 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 28 1.068 14.869 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.201 15.676 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.493 16.746 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.327 17.221 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.098 14.391 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.894 15.863 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.152 14.518 -4.045 1.00 0.00 H new ATOM 392 N PRO A 29 1.884 17.735 -6.417 1.00 0.00 N ATOM 393 CA PRO A 29 2.756 18.853 -6.734 1.00 0.00 C ATOM 394 C PRO A 29 2.131 19.750 -7.804 1.00 0.00 C ATOM 395 O PRO A 29 2.697 20.781 -8.164 1.00 0.00 O ATOM 396 CB PRO A 29 4.063 18.219 -7.180 1.00 0.00 C ATOM 397 CG PRO A 29 3.727 16.781 -7.541 1.00 0.00 C ATOM 398 CD PRO A 29 2.346 16.472 -6.988 1.00 0.00 C ATOM 0 HA PRO A 29 2.919 19.513 -5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.482 18.749 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.807 18.258 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.744 16.645 -8.622 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.467 16.099 -7.122 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.674 16.123 -7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.388 15.688 -6.232 1.00 0.00 H new ATOM 406 N ARG A 30 0.971 19.325 -8.283 1.00 0.00 N ATOM 407 CA ARG A 30 0.262 20.076 -9.305 1.00 0.00 C ATOM 408 C ARG A 30 -0.980 20.741 -8.709 1.00 0.00 C ATOM 409 O ARG A 30 -1.391 21.811 -9.157 1.00 0.00 O ATOM 410 CB ARG A 30 -0.159 19.170 -10.463 1.00 0.00 C ATOM 411 CG ARG A 30 0.867 19.217 -11.597 1.00 0.00 C ATOM 412 CD ARG A 30 0.552 18.167 -12.665 1.00 0.00 C ATOM 413 NE ARG A 30 0.685 18.762 -14.014 1.00 0.00 N ATOM 414 CZ ARG A 30 -0.186 19.634 -14.539 1.00 0.00 C ATOM 415 NH1 ARG A 30 -1.258 20.018 -13.833 1.00 0.00 N ATOM 416 NH2 ARG A 30 0.015 20.122 -15.771 1.00 0.00 N ATOM 0 H ARG A 30 0.504 18.470 -7.982 1.00 0.00 H new ATOM 0 HA ARG A 30 0.940 20.840 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.266 18.145 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.134 19.481 -10.837 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.871 20.209 -12.048 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.866 19.045 -11.196 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.229 17.319 -12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.459 17.786 -12.525 1.00 0.00 H new ATOM 0 HE ARG A 30 1.490 18.491 -14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.411 19.646 -12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.921 20.682 -14.233 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.831 19.829 -16.309 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.648 20.786 -16.171 1.00 0.00 H new ATOM 430 N LEU A 31 -1.543 20.081 -7.708 1.00 0.00 N ATOM 431 CA LEU A 31 -2.730 20.594 -7.046 1.00 0.00 C ATOM 432 C LEU A 31 -2.370 21.867 -6.278 1.00 0.00 C ATOM 433 O LEU A 31 -1.201 22.108 -5.981 1.00 0.00 O ATOM 434 CB LEU A 31 -3.370 19.511 -6.176 1.00 0.00 C ATOM 435 CG LEU A 31 -4.199 18.459 -6.916 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.336 17.183 -6.083 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.560 19.024 -7.329 1.00 0.00 C ATOM 0 H LEU A 31 -1.199 19.195 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.487 20.868 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.579 19.001 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.010 19.996 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.671 18.190 -7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.930 16.452 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.347 16.771 -5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.829 17.416 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.129 18.256 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.108 19.339 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.414 19.880 -7.988 1.00 0.00 H new ATOM 449 N PRO A 32 -3.424 22.670 -5.969 1.00 0.00 N ATOM 450 CA PRO A 32 -3.230 23.912 -5.240 1.00 0.00 C ATOM 451 C PRO A 32 -2.957 23.642 -3.759 1.00 0.00 C ATOM 452 O PRO A 32 -3.059 22.504 -3.303 1.00 0.00 O ATOM 453 CB PRO A 32 -4.504 24.708 -5.474 1.00 0.00 C ATOM 454 CG PRO A 32 -5.546 23.701 -5.933 1.00 0.00 C ATOM 455 CD PRO A 32 -4.822 22.417 -6.304 1.00 0.00 C ATOM 0 HA PRO A 32 -2.359 24.470 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.823 25.212 -4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.349 25.481 -6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.272 23.515 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.100 24.088 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.215 21.566 -5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.940 22.187 -7.363 1.00 0.00 H new ATOM 463 N PRO A 33 -2.606 24.736 -3.031 1.00 0.00 N ATOM 464 CA PRO A 33 -2.317 24.628 -1.611 1.00 0.00 C ATOM 465 C PRO A 33 -3.605 24.459 -0.801 1.00 0.00 C ATOM 466 O PRO A 33 -3.566 24.392 0.427 1.00 0.00 O ATOM 467 CB PRO A 33 -1.561 25.900 -1.265 1.00 0.00 C ATOM 468 CG PRO A 33 -1.858 26.880 -2.389 1.00 0.00 C ATOM 469 CD PRO A 33 -2.475 26.098 -3.538 1.00 0.00 C ATOM 0 HA PRO A 33 -1.721 23.748 -1.369 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.886 26.298 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.491 25.709 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.540 27.658 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.944 27.378 -2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.443 26.510 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.842 26.131 -4.425 1.00 0.00 H new ATOM 477 N ASP A 34 -4.715 24.395 -1.521 1.00 0.00 N ATOM 478 CA ASP A 34 -6.011 24.235 -0.885 1.00 0.00 C ATOM 479 C ASP A 34 -6.453 22.775 -0.998 1.00 0.00 C ATOM 480 O ASP A 34 -6.998 22.212 -0.049 1.00 0.00 O ATOM 481 CB ASP A 34 -7.070 25.104 -1.567 1.00 0.00 C ATOM 482 CG ASP A 34 -6.924 26.608 -1.330 1.00 0.00 C ATOM 483 OD1 ASP A 34 -6.389 26.964 -0.258 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.349 27.368 -2.227 1.00 0.00 O ATOM 0 H ASP A 34 -4.743 24.451 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.914 24.536 0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.036 24.916 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.054 24.791 -1.219 1.00 0.00 H new ATOM 489 N GLU A 35 -6.202 22.202 -2.166 1.00 0.00 N ATOM 490 CA GLU A 35 -6.567 20.818 -2.415 1.00 0.00 C ATOM 491 C GLU A 35 -5.388 19.894 -2.105 1.00 0.00 C ATOM 492 O GLU A 35 -5.579 18.715 -1.811 1.00 0.00 O ATOM 493 CB GLU A 35 -7.048 20.628 -3.855 1.00 0.00 C ATOM 494 CG GLU A 35 -8.572 20.506 -3.912 1.00 0.00 C ATOM 495 CD GLU A 35 -9.011 19.048 -3.752 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.750 18.270 -4.695 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.598 18.746 -2.691 1.00 0.00 O ATOM 0 H GLU A 35 -5.750 22.671 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.393 20.556 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.724 21.471 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.592 19.734 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.019 21.113 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.937 20.897 -4.862 1.00 0.00 H new ATOM 504 N LYS A 36 -4.194 20.464 -2.181 1.00 0.00 N ATOM 505 CA LYS A 36 -2.984 19.706 -1.912 1.00 0.00 C ATOM 506 C LYS A 36 -2.998 19.231 -0.457 1.00 0.00 C ATOM 507 O LYS A 36 -2.911 18.033 -0.192 1.00 0.00 O ATOM 508 CB LYS A 36 -1.746 20.526 -2.279 1.00 0.00 C ATOM 509 CG LYS A 36 -0.465 19.810 -1.845 1.00 0.00 C ATOM 510 CD LYS A 36 0.773 20.508 -2.411 1.00 0.00 C ATOM 511 CE LYS A 36 1.982 20.308 -1.496 1.00 0.00 C ATOM 512 NZ LYS A 36 1.890 21.193 -0.314 1.00 0.00 N ATOM 0 H LYS A 36 -4.039 21.442 -2.425 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.945 18.815 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.725 20.697 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.799 21.505 -1.802 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.408 19.787 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.490 18.775 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.995 20.115 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.573 21.573 -2.527 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.034 19.268 -1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.900 20.519 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.796 21.184 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.676 22.163 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.134 20.855 0.315 1.00 0.00 H new ATOM 526 N LYS A 37 -3.108 20.194 0.446 1.00 0.00 N ATOM 527 CA LYS A 37 -3.135 19.889 1.866 1.00 0.00 C ATOM 528 C LYS A 37 -3.962 18.622 2.096 1.00 0.00 C ATOM 529 O LYS A 37 -3.463 17.642 2.646 1.00 0.00 O ATOM 530 CB LYS A 37 -3.626 21.097 2.665 1.00 0.00 C ATOM 531 CG LYS A 37 -2.567 21.558 3.668 1.00 0.00 C ATOM 532 CD LYS A 37 -1.674 22.644 3.064 1.00 0.00 C ATOM 533 CE LYS A 37 -0.870 23.361 4.151 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.976 24.828 3.991 1.00 0.00 N ATOM 0 H LYS A 37 -3.179 21.186 0.222 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.128 19.684 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.868 21.914 1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.544 20.840 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.053 21.940 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.956 20.708 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.994 22.198 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.287 23.366 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.237 23.069 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.176 23.058 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.425 25.299 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.605 25.103 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.973 25.114 4.065 1.00 0.00 H new ATOM 548 N GLN A 38 -5.213 18.684 1.662 1.00 0.00 N ATOM 549 CA GLN A 38 -6.114 17.555 1.814 1.00 0.00 C ATOM 550 C GLN A 38 -5.580 16.343 1.048 1.00 0.00 C ATOM 551 O GLN A 38 -5.526 15.238 1.587 1.00 0.00 O ATOM 552 CB GLN A 38 -7.527 17.916 1.352 1.00 0.00 C ATOM 553 CG GLN A 38 -8.133 19.005 2.240 1.00 0.00 C ATOM 554 CD GLN A 38 -8.252 20.328 1.481 1.00 0.00 C ATOM 555 OE1 GLN A 38 -8.665 20.380 0.334 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.868 21.390 2.182 1.00 0.00 N ATOM 0 H GLN A 38 -5.623 19.499 1.205 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.167 17.297 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.499 18.259 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.159 17.028 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.117 18.691 2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.513 19.144 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.532 21.276 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.909 22.319 1.764 1.00 0.00 H new ATOM 565 N MET A 39 -5.197 16.590 -0.196 1.00 0.00 N ATOM 566 CA MET A 39 -4.669 15.533 -1.041 1.00 0.00 C ATOM 567 C MET A 39 -3.500 14.819 -0.359 1.00 0.00 C ATOM 568 O MET A 39 -3.452 13.591 -0.326 1.00 0.00 O ATOM 569 CB MET A 39 -4.199 16.128 -2.370 1.00 0.00 C ATOM 570 CG MET A 39 -3.643 15.041 -3.292 1.00 0.00 C ATOM 571 SD MET A 39 -4.850 13.742 -3.500 1.00 0.00 S ATOM 572 CE MET A 39 -5.683 14.325 -4.967 1.00 0.00 C ATOM 0 H MET A 39 -5.242 17.508 -0.639 1.00 0.00 H new ATOM 0 HA MET A 39 -5.461 14.806 -1.219 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.030 16.635 -2.860 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.432 16.880 -2.185 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.387 15.470 -4.261 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.724 14.631 -2.872 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.550 13.695 -5.168 1.00 0.00 H new ATOM 0 HE2 MET A 39 -6.009 15.354 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.999 14.282 -5.815 1.00 0.00 H new ATOM 582 N VAL A 40 -2.585 15.620 0.168 1.00 0.00 N ATOM 583 CA VAL A 40 -1.419 15.080 0.846 1.00 0.00 C ATOM 584 C VAL A 40 -1.874 14.236 2.039 1.00 0.00 C ATOM 585 O VAL A 40 -1.105 13.434 2.566 1.00 0.00 O ATOM 586 CB VAL A 40 -0.473 16.215 1.244 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.599 15.719 2.216 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.162 16.857 0.008 1.00 0.00 C ATOM 0 H VAL A 40 -2.628 16.639 0.139 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.858 14.426 0.179 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.060 16.978 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.258 16.545 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.122 15.330 3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.181 14.928 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.830 17.661 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.729 16.106 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.620 17.263 -0.634 1.00 0.00 H new ATOM 598 N ALA A 41 -3.123 14.446 2.429 1.00 0.00 N ATOM 599 CA ALA A 41 -3.689 13.714 3.549 1.00 0.00 C ATOM 600 C ALA A 41 -4.508 12.534 3.021 1.00 0.00 C ATOM 601 O ALA A 41 -4.495 11.453 3.608 1.00 0.00 O ATOM 602 CB ALA A 41 -4.525 14.664 4.410 1.00 0.00 C ATOM 0 H ALA A 41 -3.758 15.112 1.990 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.898 13.310 4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.950 14.115 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.892 15.468 4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.330 15.087 3.809 1.00 0.00 H new ATOM 608 N ASN A 42 -5.200 12.782 1.919 1.00 0.00 N ATOM 609 CA ASN A 42 -6.022 11.753 1.305 1.00 0.00 C ATOM 610 C ASN A 42 -5.137 10.574 0.897 1.00 0.00 C ATOM 611 O ASN A 42 -5.566 9.423 0.952 1.00 0.00 O ATOM 612 CB ASN A 42 -6.716 12.281 0.047 1.00 0.00 C ATOM 613 CG ASN A 42 -8.222 12.018 0.101 1.00 0.00 C ATOM 614 OD1 ASN A 42 -8.890 12.285 1.086 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.718 11.483 -1.011 1.00 0.00 N ATOM 0 H ASN A 42 -5.209 13.680 1.435 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.775 11.445 2.031 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.533 13.351 -0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.291 11.802 -0.835 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.714 11.272 -1.075 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.103 11.284 -1.800 1.00 0.00 H new ATOM 622 N VAL A 43 -3.917 10.902 0.497 1.00 0.00 N ATOM 623 CA VAL A 43 -2.968 9.884 0.080 1.00 0.00 C ATOM 624 C VAL A 43 -2.457 9.134 1.312 1.00 0.00 C ATOM 625 O VAL A 43 -2.180 7.938 1.244 1.00 0.00 O ATOM 626 CB VAL A 43 -1.845 10.521 -0.741 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.656 9.567 -0.876 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.352 10.962 -2.115 1.00 0.00 C ATOM 0 H VAL A 43 -3.564 11.858 0.453 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.452 9.153 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.504 11.409 -0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.128 10.044 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.270 9.324 0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.978 8.653 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.534 11.411 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.733 10.097 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.151 11.693 -1.991 1.00 0.00 H new ATOM 638 N GLU A 44 -2.347 9.869 2.409 1.00 0.00 N ATOM 639 CA GLU A 44 -1.874 9.289 3.654 1.00 0.00 C ATOM 640 C GLU A 44 -2.767 8.117 4.067 1.00 0.00 C ATOM 641 O GLU A 44 -2.285 7.127 4.615 1.00 0.00 O ATOM 642 CB GLU A 44 -1.808 10.344 4.761 1.00 0.00 C ATOM 643 CG GLU A 44 -0.569 11.227 4.602 1.00 0.00 C ATOM 644 CD GLU A 44 0.240 11.274 5.900 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.079 12.146 6.737 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.160 10.437 6.026 1.00 0.00 O ATOM 0 H GLU A 44 -2.577 10.861 2.461 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.863 8.913 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.706 10.962 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.788 9.854 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.054 10.843 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.871 12.236 4.320 1.00 0.00 H new ATOM 653 N LYS A 45 -4.054 8.268 3.787 1.00 0.00 N ATOM 654 CA LYS A 45 -5.019 7.235 4.123 1.00 0.00 C ATOM 655 C LYS A 45 -4.901 6.087 3.117 1.00 0.00 C ATOM 656 O LYS A 45 -4.670 4.942 3.502 1.00 0.00 O ATOM 657 CB LYS A 45 -6.426 7.827 4.218 1.00 0.00 C ATOM 658 CG LYS A 45 -7.105 7.421 5.528 1.00 0.00 C ATOM 659 CD LYS A 45 -6.375 8.020 6.732 1.00 0.00 C ATOM 660 CE LYS A 45 -7.347 8.769 7.645 1.00 0.00 C ATOM 661 NZ LYS A 45 -6.646 9.851 8.373 1.00 0.00 N ATOM 0 H LYS A 45 -4.450 9.090 3.331 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.806 6.820 5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.372 8.914 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.025 7.487 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.142 7.756 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.121 6.334 5.612 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.881 7.227 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.596 8.700 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.161 9.189 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.795 8.075 8.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.321 10.349 8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.885 9.443 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.239 10.522 7.690 1.00 0.00 H new ATOM 675 N GLN A 46 -5.064 6.435 1.849 1.00 0.00 N ATOM 676 CA GLN A 46 -4.979 5.448 0.786 1.00 0.00 C ATOM 677 C GLN A 46 -3.670 4.663 0.894 1.00 0.00 C ATOM 678 O GLN A 46 -3.609 3.495 0.513 1.00 0.00 O ATOM 679 CB GLN A 46 -5.110 6.110 -0.588 1.00 0.00 C ATOM 680 CG GLN A 46 -6.579 6.310 -0.962 1.00 0.00 C ATOM 681 CD GLN A 46 -7.366 6.908 0.206 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.487 8.113 0.354 1.00 0.00 O ATOM 683 NE2 GLN A 46 -7.893 6.002 1.025 1.00 0.00 N ATOM 0 H GLN A 46 -5.254 7.386 1.534 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.809 4.750 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.598 7.072 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.620 5.493 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.651 6.968 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -7.018 5.355 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.754 5.008 0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.436 6.301 1.835 1.00 0.00 H new ATOM 692 N LEU A 47 -2.654 5.337 1.414 1.00 0.00 N ATOM 693 CA LEU A 47 -1.350 4.717 1.577 1.00 0.00 C ATOM 694 C LEU A 47 -1.394 3.753 2.764 1.00 0.00 C ATOM 695 O LEU A 47 -1.107 2.566 2.615 1.00 0.00 O ATOM 696 CB LEU A 47 -0.260 5.784 1.691 1.00 0.00 C ATOM 697 CG LEU A 47 0.290 6.325 0.370 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.189 7.540 0.606 1.00 0.00 C ATOM 699 CD2 LEU A 47 1.007 5.226 -0.416 1.00 0.00 C ATOM 0 H LEU A 47 -2.708 6.306 1.728 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.095 4.128 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.657 6.621 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.569 5.368 2.264 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.550 6.660 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.566 7.904 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.615 8.328 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.027 7.255 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.388 5.637 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.837 4.838 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.308 4.419 -0.633 1.00 0.00 H new ATOM 711 N GLU A 48 -1.753 4.299 3.917 1.00 0.00 N ATOM 712 CA GLU A 48 -1.838 3.502 5.129 1.00 0.00 C ATOM 713 C GLU A 48 -2.873 2.388 4.961 1.00 0.00 C ATOM 714 O GLU A 48 -2.774 1.342 5.600 1.00 0.00 O ATOM 715 CB GLU A 48 -2.167 4.378 6.339 1.00 0.00 C ATOM 716 CG GLU A 48 -3.679 4.532 6.510 1.00 0.00 C ATOM 717 CD GLU A 48 -4.009 5.381 7.739 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.659 6.581 7.710 1.00 0.00 O ATOM 719 OE2 GLU A 48 -4.602 4.811 8.680 1.00 0.00 O ATOM 0 H GLU A 48 -1.988 5.284 4.037 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.865 3.043 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.739 3.937 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.709 5.360 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.104 4.995 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.139 3.549 6.609 1.00 0.00 H new ATOM 726 N GLU A 49 -3.843 2.651 4.097 1.00 0.00 N ATOM 727 CA GLU A 49 -4.895 1.683 3.837 1.00 0.00 C ATOM 728 C GLU A 49 -4.343 0.500 3.040 1.00 0.00 C ATOM 729 O GLU A 49 -4.843 -0.618 3.155 1.00 0.00 O ATOM 730 CB GLU A 49 -6.071 2.335 3.107 1.00 0.00 C ATOM 731 CG GLU A 49 -6.814 3.309 4.024 1.00 0.00 C ATOM 732 CD GLU A 49 -8.273 2.884 4.207 1.00 0.00 C ATOM 733 OE1 GLU A 49 -9.078 3.216 3.311 1.00 0.00 O ATOM 734 OE2 GLU A 49 -8.550 2.237 5.240 1.00 0.00 O ATOM 0 H GLU A 49 -3.922 3.520 3.569 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.264 1.311 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.708 2.864 2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.758 1.565 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.319 3.350 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.774 4.313 3.603 1.00 0.00 H new ATOM 741 N ALA A 50 -3.320 0.786 2.248 1.00 0.00 N ATOM 742 CA ALA A 50 -2.695 -0.241 1.432 1.00 0.00 C ATOM 743 C ALA A 50 -1.611 -0.946 2.249 1.00 0.00 C ATOM 744 O ALA A 50 -1.349 -2.131 2.049 1.00 0.00 O ATOM 745 CB ALA A 50 -2.142 0.390 0.152 1.00 0.00 C ATOM 0 H ALA A 50 -2.908 1.714 2.154 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.426 -0.993 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.673 -0.380 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.956 0.852 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.403 1.148 0.410 1.00 0.00 H new ATOM 751 N ARG A 51 -1.009 -0.187 3.154 1.00 0.00 N ATOM 752 CA ARG A 51 0.041 -0.724 4.002 1.00 0.00 C ATOM 753 C ARG A 51 -0.443 -1.994 4.706 1.00 0.00 C ATOM 754 O ARG A 51 0.271 -2.995 4.749 1.00 0.00 O ATOM 755 CB ARG A 51 0.478 0.298 5.053 1.00 0.00 C ATOM 756 CG ARG A 51 1.648 1.142 4.544 1.00 0.00 C ATOM 757 CD ARG A 51 2.455 1.719 5.709 1.00 0.00 C ATOM 758 NE ARG A 51 2.064 3.126 5.948 1.00 0.00 N ATOM 759 CZ ARG A 51 2.511 3.867 6.971 1.00 0.00 C ATOM 760 NH1 ARG A 51 3.366 3.339 7.857 1.00 0.00 N ATOM 761 NH2 ARG A 51 2.102 5.136 7.108 1.00 0.00 N ATOM 0 H ARG A 51 -1.229 0.795 3.318 1.00 0.00 H new ATOM 0 HA ARG A 51 0.893 -0.959 3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.361 0.947 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.768 -0.218 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.296 0.531 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.272 1.953 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.284 1.128 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.521 1.662 5.488 1.00 0.00 H new ATOM 0 HE ARG A 51 1.413 3.559 5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.677 2.373 7.753 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.706 3.903 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.451 5.537 6.434 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.442 5.700 7.887 1.00 0.00 H new ATOM 775 N GLU A 52 -1.653 -1.911 5.240 1.00 0.00 N ATOM 776 CA GLU A 52 -2.240 -3.041 5.940 1.00 0.00 C ATOM 777 C GLU A 52 -2.431 -4.218 4.981 1.00 0.00 C ATOM 778 O GLU A 52 -2.229 -5.371 5.361 1.00 0.00 O ATOM 779 CB GLU A 52 -3.565 -2.650 6.597 1.00 0.00 C ATOM 780 CG GLU A 52 -4.546 -2.091 5.565 1.00 0.00 C ATOM 781 CD GLU A 52 -5.941 -1.919 6.170 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.661 -2.939 6.236 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.256 -0.772 6.553 1.00 0.00 O ATOM 0 H GLU A 52 -2.242 -1.079 5.202 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.556 -3.349 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.003 -3.520 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.385 -1.906 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.184 -1.131 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.598 -2.762 4.707 1.00 0.00 H new ATOM 790 N LEU A 53 -2.817 -3.888 3.758 1.00 0.00 N ATOM 791 CA LEU A 53 -3.037 -4.903 2.742 1.00 0.00 C ATOM 792 C LEU A 53 -1.796 -5.793 2.640 1.00 0.00 C ATOM 793 O LEU A 53 -1.882 -7.007 2.823 1.00 0.00 O ATOM 794 CB LEU A 53 -3.440 -4.256 1.416 1.00 0.00 C ATOM 795 CG LEU A 53 -4.918 -4.368 1.037 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.408 -3.088 0.356 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.171 -5.607 0.177 1.00 0.00 C ATOM 0 H LEU A 53 -2.983 -2.931 3.447 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.871 -5.547 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.174 -3.200 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.846 -4.705 0.620 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.497 -4.488 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.461 -3.194 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.284 -2.244 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.828 -2.913 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.229 -5.663 -0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.580 -5.543 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.884 -6.500 0.732 1.00 0.00 H new ATOM 809 N LEU A 54 -0.672 -5.156 2.349 1.00 0.00 N ATOM 810 CA LEU A 54 0.584 -5.875 2.221 1.00 0.00 C ATOM 811 C LEU A 54 0.763 -6.800 3.426 1.00 0.00 C ATOM 812 O LEU A 54 1.315 -7.891 3.299 1.00 0.00 O ATOM 813 CB LEU A 54 1.743 -4.896 2.019 1.00 0.00 C ATOM 814 CG LEU A 54 1.689 -4.045 0.749 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.097 -3.684 0.271 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.874 -4.741 -0.343 1.00 0.00 C ATOM 0 H LEU A 54 -0.605 -4.149 2.198 1.00 0.00 H new ATOM 0 HA LEU A 54 0.572 -6.507 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.782 -4.227 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.674 -5.463 2.013 1.00 0.00 H new ATOM 0 HG LEU A 54 1.179 -3.111 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.030 -3.079 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.612 -3.119 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.654 -4.596 0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.851 -4.115 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.333 -5.700 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.144 -4.905 0.011 1.00 0.00 H new ATOM 828 N GLU A 55 0.285 -6.329 4.569 1.00 0.00 N ATOM 829 CA GLU A 55 0.385 -7.100 5.796 1.00 0.00 C ATOM 830 C GLU A 55 -0.479 -8.359 5.704 1.00 0.00 C ATOM 831 O GLU A 55 0.034 -9.475 5.772 1.00 0.00 O ATOM 832 CB GLU A 55 -0.007 -6.254 7.009 1.00 0.00 C ATOM 833 CG GLU A 55 1.145 -6.168 8.013 1.00 0.00 C ATOM 834 CD GLU A 55 0.661 -6.483 9.430 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.409 -5.950 9.796 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.372 -7.250 10.115 1.00 0.00 O ATOM 0 H GLU A 55 -0.172 -5.423 4.671 1.00 0.00 H new ATOM 0 HA GLU A 55 1.423 -7.404 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.286 -5.252 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.883 -6.688 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.932 -6.867 7.730 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.581 -5.169 7.987 1.00 0.00 H new ATOM 843 N GLN A 56 -1.776 -8.138 5.550 1.00 0.00 N ATOM 844 CA GLN A 56 -2.716 -9.241 5.448 1.00 0.00 C ATOM 845 C GLN A 56 -2.314 -10.177 4.306 1.00 0.00 C ATOM 846 O GLN A 56 -2.263 -11.393 4.485 1.00 0.00 O ATOM 847 CB GLN A 56 -4.145 -8.728 5.258 1.00 0.00 C ATOM 848 CG GLN A 56 -4.600 -7.911 6.469 1.00 0.00 C ATOM 849 CD GLN A 56 -5.092 -8.825 7.593 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.249 -9.210 7.654 1.00 0.00 O ATOM 851 NE2 GLN A 56 -4.153 -9.150 8.477 1.00 0.00 N ATOM 0 H GLN A 56 -2.198 -7.211 5.493 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.688 -9.804 6.381 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.198 -8.113 4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.821 -9.570 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.774 -7.297 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.398 -7.230 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.204 -8.793 8.367 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.382 -9.756 9.265 1.00 0.00 H new ATOM 860 N MET A 57 -2.039 -9.575 3.159 1.00 0.00 N ATOM 861 CA MET A 57 -1.643 -10.339 1.988 1.00 0.00 C ATOM 862 C MET A 57 -0.449 -11.244 2.302 1.00 0.00 C ATOM 863 O MET A 57 -0.482 -12.441 2.020 1.00 0.00 O ATOM 864 CB MET A 57 -1.274 -9.382 0.854 1.00 0.00 C ATOM 865 CG MET A 57 -2.523 -8.730 0.258 1.00 0.00 C ATOM 866 SD MET A 57 -2.207 -8.231 -1.427 1.00 0.00 S ATOM 867 CE MET A 57 -1.437 -6.647 -1.141 1.00 0.00 C ATOM 0 H MET A 57 -2.083 -8.566 3.015 1.00 0.00 H new ATOM 0 HA MET A 57 -2.482 -10.967 1.686 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.601 -8.611 1.229 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.736 -9.924 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.358 -9.430 0.288 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.811 -7.864 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.109 -5.852 -1.465 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.225 -6.532 -0.078 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.506 -6.588 -1.705 1.00 0.00 H new ATOM 877 N ASP A 58 0.576 -10.637 2.881 1.00 0.00 N ATOM 878 CA ASP A 58 1.778 -11.372 3.237 1.00 0.00 C ATOM 879 C ASP A 58 1.428 -12.441 4.274 1.00 0.00 C ATOM 880 O ASP A 58 1.698 -13.623 4.068 1.00 0.00 O ATOM 881 CB ASP A 58 2.830 -10.445 3.849 1.00 0.00 C ATOM 882 CG ASP A 58 4.260 -10.989 3.832 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.764 -11.226 2.713 1.00 0.00 O ATOM 884 OD2 ASP A 58 4.816 -11.157 4.939 1.00 0.00 O ATOM 0 H ASP A 58 0.599 -9.644 3.113 1.00 0.00 H new ATOM 0 HA ASP A 58 2.179 -11.822 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.812 -9.496 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.550 -10.234 4.881 1.00 0.00 H new ATOM 889 N LEU A 59 0.834 -11.987 5.368 1.00 0.00 N ATOM 890 CA LEU A 59 0.445 -12.889 6.438 1.00 0.00 C ATOM 891 C LEU A 59 -0.580 -13.893 5.905 1.00 0.00 C ATOM 892 O LEU A 59 -0.862 -14.900 6.553 1.00 0.00 O ATOM 893 CB LEU A 59 -0.042 -12.099 7.654 1.00 0.00 C ATOM 894 CG LEU A 59 1.048 -11.502 8.546 1.00 0.00 C ATOM 895 CD1 LEU A 59 2.027 -10.659 7.726 1.00 0.00 C ATOM 896 CD2 LEU A 59 0.436 -10.707 9.702 1.00 0.00 C ATOM 0 H LEU A 59 0.613 -11.006 5.536 1.00 0.00 H new ATOM 0 HA LEU A 59 1.304 -13.463 6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.681 -11.289 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.664 -12.755 8.263 1.00 0.00 H new ATOM 0 HG LEU A 59 1.617 -12.322 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.792 -10.246 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.499 -11.284 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.488 -9.845 7.241 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.232 -10.293 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.173 -9.895 9.303 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.188 -11.365 10.306 1.00 0.00 H new ATOM 908 N GLU A 60 -1.109 -13.583 4.731 1.00 0.00 N ATOM 909 CA GLU A 60 -2.097 -14.445 4.104 1.00 0.00 C ATOM 910 C GLU A 60 -1.413 -15.439 3.163 1.00 0.00 C ATOM 911 O GLU A 60 -1.530 -16.651 3.343 1.00 0.00 O ATOM 912 CB GLU A 60 -3.150 -13.622 3.360 1.00 0.00 C ATOM 913 CG GLU A 60 -3.892 -14.480 2.333 1.00 0.00 C ATOM 914 CD GLU A 60 -5.406 -14.313 2.471 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.824 -13.185 2.810 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.112 -15.317 2.233 1.00 0.00 O ATOM 0 H GLU A 60 -0.872 -12.747 4.197 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.608 -15.007 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.861 -13.205 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.672 -12.781 2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.582 -14.199 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.624 -15.528 2.468 1.00 0.00 H new ATOM 923 N VAL A 61 -0.713 -14.890 2.181 1.00 0.00 N ATOM 924 CA VAL A 61 -0.010 -15.714 1.212 1.00 0.00 C ATOM 925 C VAL A 61 0.644 -16.895 1.932 1.00 0.00 C ATOM 926 O VAL A 61 0.813 -17.965 1.349 1.00 0.00 O ATOM 927 CB VAL A 61 0.991 -14.861 0.430 1.00 0.00 C ATOM 928 CG1 VAL A 61 2.352 -15.556 0.342 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.456 -14.527 -0.964 1.00 0.00 C ATOM 0 H VAL A 61 -0.618 -13.885 2.035 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.707 -16.125 0.482 1.00 0.00 H new ATOM 0 HB VAL A 61 1.127 -13.924 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.045 -14.929 -0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.742 -15.720 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.239 -16.515 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.187 -13.920 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.278 -15.450 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.478 -13.973 -0.872 1.00 0.00 H new ATOM 939 N ARG A 62 0.994 -16.661 3.188 1.00 0.00 N ATOM 940 CA ARG A 62 1.626 -17.693 3.993 1.00 0.00 C ATOM 941 C ARG A 62 0.759 -18.953 4.016 1.00 0.00 C ATOM 942 O ARG A 62 1.259 -20.058 3.810 1.00 0.00 O ATOM 943 CB ARG A 62 1.851 -17.211 5.428 1.00 0.00 C ATOM 944 CG ARG A 62 3.342 -17.179 5.768 1.00 0.00 C ATOM 945 CD ARG A 62 3.676 -15.979 6.657 1.00 0.00 C ATOM 946 NE ARG A 62 3.767 -16.406 8.071 1.00 0.00 N ATOM 947 CZ ARG A 62 4.187 -15.617 9.068 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.557 -14.354 8.814 1.00 0.00 N ATOM 949 NH2 ARG A 62 4.237 -16.090 10.321 1.00 0.00 N ATOM 0 H ARG A 62 0.852 -15.772 3.668 1.00 0.00 H new ATOM 0 HA ARG A 62 2.592 -17.920 3.542 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.425 -16.216 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.330 -17.870 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.623 -18.102 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.927 -17.130 4.850 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.620 -15.534 6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.910 -15.211 6.549 1.00 0.00 H new ATOM 0 HE ARG A 62 3.493 -17.361 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.519 -13.993 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.877 -13.754 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.955 -17.051 10.515 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.557 -15.489 11.081 1.00 0.00 H new ATOM 963 N GLU A 63 -0.525 -18.746 4.268 1.00 0.00 N ATOM 964 CA GLU A 63 -1.466 -19.852 4.320 1.00 0.00 C ATOM 965 C GLU A 63 -1.564 -20.530 2.953 1.00 0.00 C ATOM 966 O GLU A 63 -1.618 -21.756 2.867 1.00 0.00 O ATOM 967 CB GLU A 63 -2.841 -19.380 4.798 1.00 0.00 C ATOM 968 CG GLU A 63 -3.960 -20.129 4.072 1.00 0.00 C ATOM 969 CD GLU A 63 -5.296 -19.957 4.798 1.00 0.00 C ATOM 970 OE1 GLU A 63 -5.421 -20.532 5.901 1.00 0.00 O ATOM 971 OE2 GLU A 63 -6.161 -19.253 4.235 1.00 0.00 O ATOM 0 H GLU A 63 -0.936 -17.828 4.439 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.098 -20.583 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.930 -19.538 5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.943 -18.309 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.047 -19.759 3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.711 -21.188 4.007 1.00 0.00 H new ATOM 978 N ILE A 64 -1.584 -19.704 1.917 1.00 0.00 N ATOM 979 CA ILE A 64 -1.674 -20.209 0.558 1.00 0.00 C ATOM 980 C ILE A 64 -0.683 -21.361 0.380 1.00 0.00 C ATOM 981 O ILE A 64 0.427 -21.318 0.909 1.00 0.00 O ATOM 982 CB ILE A 64 -1.484 -19.073 -0.449 1.00 0.00 C ATOM 983 CG1 ILE A 64 -2.530 -17.976 -0.242 1.00 0.00 C ATOM 984 CG2 ILE A 64 -1.489 -19.606 -1.884 1.00 0.00 C ATOM 985 CD1 ILE A 64 -2.632 -17.075 -1.475 1.00 0.00 C ATOM 0 H ILE A 64 -1.539 -18.688 1.992 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.669 -20.611 0.366 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.507 -18.623 -0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.500 -18.428 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.266 -17.377 0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.352 -18.778 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.677 -20.323 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.441 -20.097 -2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.383 -16.304 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.666 -16.606 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.920 -17.673 -2.340 1.00 0.00 H new ATOM 997 N PRO A 65 -1.131 -22.391 -0.387 1.00 0.00 N ATOM 998 CA PRO A 65 -0.296 -23.553 -0.641 1.00 0.00 C ATOM 999 C PRO A 65 0.800 -23.228 -1.658 1.00 0.00 C ATOM 1000 O PRO A 65 0.753 -22.191 -2.317 1.00 0.00 O ATOM 1001 CB PRO A 65 -1.256 -24.628 -1.126 1.00 0.00 C ATOM 1002 CG PRO A 65 -2.513 -23.897 -1.567 1.00 0.00 C ATOM 1003 CD PRO A 65 -2.439 -22.477 -1.029 1.00 0.00 C ATOM 0 HA PRO A 65 0.241 -23.888 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.824 -25.194 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.477 -25.341 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.589 -23.890 -2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.401 -24.403 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.536 -21.745 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.242 -22.280 -0.319 1.00 0.00 H new ATOM 1011 N PRO A 66 1.788 -24.158 -1.755 1.00 0.00 N ATOM 1012 CA PRO A 66 2.894 -23.981 -2.680 1.00 0.00 C ATOM 1013 C PRO A 66 2.453 -24.248 -4.120 1.00 0.00 C ATOM 1014 O PRO A 66 3.260 -24.170 -5.045 1.00 0.00 O ATOM 1015 CB PRO A 66 3.967 -24.944 -2.199 1.00 0.00 C ATOM 1016 CG PRO A 66 3.255 -25.953 -1.312 1.00 0.00 C ATOM 1017 CD PRO A 66 1.876 -25.398 -0.990 1.00 0.00 C ATOM 0 HA PRO A 66 3.272 -22.959 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.454 -25.438 -3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.744 -24.418 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.171 -26.914 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.821 -26.123 -0.396 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.091 -26.097 -1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.763 -25.213 0.078 1.00 0.00 H new ATOM 1025 N GLN A 67 1.173 -24.559 -4.265 1.00 0.00 N ATOM 1026 CA GLN A 67 0.615 -24.839 -5.577 1.00 0.00 C ATOM 1027 C GLN A 67 -0.171 -23.630 -6.089 1.00 0.00 C ATOM 1028 O GLN A 67 -0.654 -23.632 -7.220 1.00 0.00 O ATOM 1029 CB GLN A 67 -0.264 -26.090 -5.544 1.00 0.00 C ATOM 1030 CG GLN A 67 0.589 -27.360 -5.520 1.00 0.00 C ATOM 1031 CD GLN A 67 -0.213 -28.569 -6.004 1.00 0.00 C ATOM 1032 OE1 GLN A 67 -0.008 -29.090 -7.088 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -1.137 -28.986 -5.142 1.00 0.00 N ATOM 0 H GLN A 67 0.507 -24.623 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 67 1.437 -25.031 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.907 -26.063 -4.665 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.917 -26.103 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.467 -27.225 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.950 -27.541 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.257 -28.505 -4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.725 -29.787 -5.373 1.00 0.00 H new ATOM 1042 N SER A 68 -0.274 -22.626 -5.231 1.00 0.00 N ATOM 1043 CA SER A 68 -0.993 -21.412 -5.581 1.00 0.00 C ATOM 1044 C SER A 68 -0.122 -20.187 -5.297 1.00 0.00 C ATOM 1045 O SER A 68 -0.068 -19.259 -6.102 1.00 0.00 O ATOM 1046 CB SER A 68 -2.313 -21.314 -4.815 1.00 0.00 C ATOM 1047 OG SER A 68 -3.025 -20.121 -5.130 1.00 0.00 O ATOM 0 H SER A 68 0.128 -22.628 -4.294 1.00 0.00 H new ATOM 0 HA SER A 68 -1.224 -21.446 -6.646 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.933 -22.179 -5.049 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.114 -21.345 -3.744 1.00 0.00 H new ATOM 0 HG SER A 68 -3.863 -20.096 -4.622 1.00 0.00 H new ATOM 1053 N ARG A 69 0.539 -20.224 -4.148 1.00 0.00 N ATOM 1054 CA ARG A 69 1.404 -19.128 -3.748 1.00 0.00 C ATOM 1055 C ARG A 69 2.149 -18.569 -4.962 1.00 0.00 C ATOM 1056 O ARG A 69 2.363 -17.361 -5.061 1.00 0.00 O ATOM 1057 CB ARG A 69 2.421 -19.584 -2.700 1.00 0.00 C ATOM 1058 CG ARG A 69 2.184 -18.880 -1.362 1.00 0.00 C ATOM 1059 CD ARG A 69 3.369 -19.086 -0.417 1.00 0.00 C ATOM 1060 NE ARG A 69 4.622 -18.648 -1.072 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.847 -18.868 -0.575 1.00 0.00 C ATOM 1062 NH1 ARG A 69 5.991 -19.521 0.586 1.00 0.00 N ATOM 1063 NH2 ARG A 69 6.927 -18.434 -1.239 1.00 0.00 N ATOM 0 H ARG A 69 0.492 -20.996 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 69 0.775 -18.351 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.350 -20.663 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.431 -19.373 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.029 -17.814 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.275 -19.265 -0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.213 -18.522 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.443 -20.137 -0.138 1.00 0.00 H new ATOM 0 HE ARG A 69 4.548 -18.147 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.168 -19.850 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.923 -19.689 0.965 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.817 -17.936 -2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.859 -18.601 -0.861 1.00 0.00 H new ATOM 1077 N GLY A 70 2.524 -19.473 -5.854 1.00 0.00 N ATOM 1078 CA GLY A 70 3.241 -19.086 -7.057 1.00 0.00 C ATOM 1079 C GLY A 70 2.699 -17.769 -7.617 1.00 0.00 C ATOM 1080 O GLY A 70 1.488 -17.563 -7.669 1.00 0.00 O ATOM 0 H GLY A 70 2.345 -20.473 -5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.303 -18.981 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.149 -19.870 -7.808 1.00 0.00 H new ATOM 1084 N MET A 71 3.624 -16.911 -8.023 1.00 0.00 N ATOM 1085 CA MET A 71 3.255 -15.619 -8.577 1.00 0.00 C ATOM 1086 C MET A 71 2.948 -14.613 -7.465 1.00 0.00 C ATOM 1087 O MET A 71 3.522 -13.526 -7.431 1.00 0.00 O ATOM 1088 CB MET A 71 2.026 -15.780 -9.473 1.00 0.00 C ATOM 1089 CG MET A 71 2.171 -14.958 -10.755 1.00 0.00 C ATOM 1090 SD MET A 71 2.534 -16.034 -12.133 1.00 0.00 S ATOM 1091 CE MET A 71 1.819 -15.085 -13.465 1.00 0.00 C ATOM 0 H MET A 71 4.628 -17.085 -7.979 1.00 0.00 H new ATOM 0 HA MET A 71 4.095 -15.242 -9.161 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.890 -16.832 -9.725 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.134 -15.464 -8.933 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.252 -14.404 -10.948 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.967 -14.223 -10.637 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.958 -15.617 -14.406 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.754 -14.945 -13.281 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.308 -14.112 -13.522 1.00 0.00 H new ATOM 1101 N TYR A 72 2.043 -15.012 -6.583 1.00 0.00 N ATOM 1102 CA TYR A 72 1.653 -14.159 -5.474 1.00 0.00 C ATOM 1103 C TYR A 72 2.876 -13.707 -4.673 1.00 0.00 C ATOM 1104 O TYR A 72 3.149 -12.512 -4.571 1.00 0.00 O ATOM 1105 CB TYR A 72 0.759 -15.017 -4.576 1.00 0.00 C ATOM 1106 CG TYR A 72 -0.239 -14.213 -3.741 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.105 -12.963 -3.269 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -1.484 -14.738 -3.460 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.834 -12.206 -2.483 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -2.423 -13.981 -2.673 1.00 0.00 C ATOM 1111 CZ TYR A 72 -2.052 -12.752 -2.224 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.940 -12.038 -1.481 1.00 0.00 O ATOM 0 H TYR A 72 1.569 -15.915 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 72 1.146 -13.265 -5.838 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.210 -15.725 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.389 -15.602 -3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.079 -12.552 -3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.754 -15.716 -3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.577 -11.227 -2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.400 -14.380 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.629 -11.661 -2.067 1.00 0.00 H new ATOM 1122 N SER A 73 3.580 -14.687 -4.125 1.00 0.00 N ATOM 1123 CA SER A 73 4.768 -14.405 -3.337 1.00 0.00 C ATOM 1124 C SER A 73 5.632 -13.362 -4.048 1.00 0.00 C ATOM 1125 O SER A 73 5.939 -12.314 -3.481 1.00 0.00 O ATOM 1126 CB SER A 73 5.575 -15.679 -3.082 1.00 0.00 C ATOM 1127 OG SER A 73 6.860 -15.397 -2.536 1.00 0.00 O ATOM 0 H SER A 73 3.350 -15.677 -4.211 1.00 0.00 H new ATOM 0 HA SER A 73 4.452 -14.009 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.025 -16.326 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.691 -16.228 -4.017 1.00 0.00 H new ATOM 0 HG SER A 73 7.494 -16.090 -2.816 1.00 0.00 H new ATOM 1133 N ASN A 74 6.001 -13.685 -5.279 1.00 0.00 N ATOM 1134 CA ASN A 74 6.824 -12.789 -6.073 1.00 0.00 C ATOM 1135 C ASN A 74 6.214 -11.387 -6.049 1.00 0.00 C ATOM 1136 O ASN A 74 6.931 -10.396 -5.916 1.00 0.00 O ATOM 1137 CB ASN A 74 6.892 -13.250 -7.530 1.00 0.00 C ATOM 1138 CG ASN A 74 7.476 -12.155 -8.425 1.00 0.00 C ATOM 1139 OD1 ASN A 74 8.510 -11.573 -8.144 1.00 0.00 O ATOM 1140 ND2 ASN A 74 6.757 -11.908 -9.517 1.00 0.00 N ATOM 0 H ASN A 74 5.745 -14.555 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 74 7.828 -12.788 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.504 -14.149 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.894 -13.515 -7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.063 -11.194 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.900 -12.432 -9.693 1.00 0.00 H new ATOM 1147 N ARG A 75 4.896 -11.347 -6.179 1.00 0.00 N ATOM 1148 CA ARG A 75 4.181 -10.082 -6.173 1.00 0.00 C ATOM 1149 C ARG A 75 4.414 -9.346 -4.852 1.00 0.00 C ATOM 1150 O ARG A 75 4.613 -8.132 -4.840 1.00 0.00 O ATOM 1151 CB ARG A 75 2.679 -10.297 -6.371 1.00 0.00 C ATOM 1152 CG ARG A 75 2.224 -9.766 -7.732 1.00 0.00 C ATOM 1153 CD ARG A 75 2.194 -8.236 -7.741 1.00 0.00 C ATOM 1154 NE ARG A 75 2.265 -7.737 -9.132 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.500 -6.460 -9.461 1.00 0.00 C ATOM 1156 NH1 ARG A 75 2.688 -5.544 -8.500 1.00 0.00 N ATOM 1157 NH2 ARG A 75 2.548 -6.097 -10.750 1.00 0.00 N ATOM 0 H ARG A 75 4.304 -12.171 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 75 4.563 -9.482 -6.999 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.447 -11.359 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.128 -9.793 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.898 -10.125 -8.510 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.232 -10.154 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.281 -7.879 -7.264 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.030 -7.844 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 75 2.126 -8.408 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.652 -5.820 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.867 -4.572 -8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.406 -6.793 -11.482 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.727 -5.124 -11.000 1.00 0.00 H new ATOM 1171 N MET A 76 4.383 -10.112 -3.771 1.00 0.00 N ATOM 1172 CA MET A 76 4.588 -9.548 -2.448 1.00 0.00 C ATOM 1173 C MET A 76 5.950 -8.857 -2.352 1.00 0.00 C ATOM 1174 O MET A 76 6.094 -7.856 -1.652 1.00 0.00 O ATOM 1175 CB MET A 76 4.505 -10.660 -1.401 1.00 0.00 C ATOM 1176 CG MET A 76 3.197 -11.442 -1.533 1.00 0.00 C ATOM 1177 SD MET A 76 1.817 -10.313 -1.614 1.00 0.00 S ATOM 1178 CE MET A 76 2.055 -9.422 -0.086 1.00 0.00 C ATOM 0 H MET A 76 4.219 -11.119 -3.785 1.00 0.00 H new ATOM 0 HA MET A 76 3.811 -8.806 -2.265 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.351 -11.337 -1.517 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.576 -10.230 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.223 -12.062 -2.429 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.078 -12.114 -0.683 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.199 -8.772 0.093 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.151 -10.130 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.961 -8.819 -0.154 1.00 0.00 H new ATOM 1188 N ARG A 77 6.915 -9.418 -3.066 1.00 0.00 N ATOM 1189 CA ARG A 77 8.259 -8.868 -3.070 1.00 0.00 C ATOM 1190 C ARG A 77 8.325 -7.632 -3.970 1.00 0.00 C ATOM 1191 O ARG A 77 9.209 -6.792 -3.813 1.00 0.00 O ATOM 1192 CB ARG A 77 9.276 -9.902 -3.561 1.00 0.00 C ATOM 1193 CG ARG A 77 9.689 -10.845 -2.429 1.00 0.00 C ATOM 1194 CD ARG A 77 10.895 -10.291 -1.667 1.00 0.00 C ATOM 1195 NE ARG A 77 10.452 -9.677 -0.396 1.00 0.00 N ATOM 1196 CZ ARG A 77 9.961 -10.368 0.641 1.00 0.00 C ATOM 1197 NH1 ARG A 77 9.846 -11.701 0.564 1.00 0.00 N ATOM 1198 NH2 ARG A 77 9.584 -9.727 1.756 1.00 0.00 N ATOM 0 H ARG A 77 6.792 -10.248 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 77 8.506 -8.589 -2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 77 8.847 -10.478 -4.381 1.00 0.00 H new ATOM 0 HB3 ARG A 77 10.156 -9.393 -3.955 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.853 -10.984 -1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.932 -11.826 -2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 77 11.607 -11.091 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 77 11.412 -9.551 -2.277 1.00 0.00 H new ATOM 0 HE ARG A 77 10.525 -8.664 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 77 10.132 -12.189 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.472 -12.227 1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 77 9.671 -8.712 1.815 1.00 0.00 H new ATOM 0 HH22 ARG A 77 9.210 -10.254 2.545 1.00 0.00 H new ATOM 1212 N SER A 78 7.377 -7.561 -4.893 1.00 0.00 N ATOM 1213 CA SER A 78 7.316 -6.442 -5.817 1.00 0.00 C ATOM 1214 C SER A 78 6.574 -5.269 -5.172 1.00 0.00 C ATOM 1215 O SER A 78 7.093 -4.155 -5.119 1.00 0.00 O ATOM 1216 CB SER A 78 6.633 -6.845 -7.126 1.00 0.00 C ATOM 1217 OG SER A 78 7.561 -6.941 -8.204 1.00 0.00 O ATOM 0 H SER A 78 6.645 -8.260 -5.020 1.00 0.00 H new ATOM 0 HA SER A 78 8.336 -6.135 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.131 -7.803 -6.993 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.864 -6.114 -7.374 1.00 0.00 H new ATOM 0 HG SER A 78 7.087 -7.202 -9.021 1.00 0.00 H new ATOM 1223 N TYR A 79 5.372 -5.561 -4.697 1.00 0.00 N ATOM 1224 CA TYR A 79 4.554 -4.545 -4.057 1.00 0.00 C ATOM 1225 C TYR A 79 5.399 -3.657 -3.141 1.00 0.00 C ATOM 1226 O TYR A 79 5.494 -2.449 -3.357 1.00 0.00 O ATOM 1227 CB TYR A 79 3.528 -5.301 -3.209 1.00 0.00 C ATOM 1228 CG TYR A 79 2.332 -5.829 -4.004 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.762 -5.050 -4.991 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.824 -7.083 -3.735 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.636 -5.547 -5.739 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.699 -7.580 -4.483 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.160 -6.787 -5.448 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.903 -7.257 -6.154 1.00 0.00 O ATOM 0 H TYR A 79 4.945 -6.486 -4.743 1.00 0.00 H new ATOM 0 HA TYR A 79 4.087 -3.902 -4.804 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.024 -6.139 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.165 -4.640 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.160 -4.069 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.270 -7.692 -2.963 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.180 -4.948 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.292 -8.560 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.702 -8.156 -6.489 1.00 0.00 H new ATOM 1244 N LYS A 80 5.991 -4.289 -2.139 1.00 0.00 N ATOM 1245 CA LYS A 80 6.825 -3.572 -1.189 1.00 0.00 C ATOM 1246 C LYS A 80 7.669 -2.538 -1.938 1.00 0.00 C ATOM 1247 O LYS A 80 7.683 -1.363 -1.576 1.00 0.00 O ATOM 1248 CB LYS A 80 7.651 -4.552 -0.354 1.00 0.00 C ATOM 1249 CG LYS A 80 6.745 -5.499 0.435 1.00 0.00 C ATOM 1250 CD LYS A 80 6.807 -5.195 1.934 1.00 0.00 C ATOM 1251 CE LYS A 80 5.464 -5.484 2.608 1.00 0.00 C ATOM 1252 NZ LYS A 80 4.962 -4.278 3.302 1.00 0.00 N ATOM 0 H LYS A 80 5.910 -5.291 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 80 6.207 -3.025 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.306 -5.129 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.292 -4.000 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.718 -5.403 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.048 -6.531 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.588 -5.797 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.077 -4.150 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.739 -5.810 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.577 -6.301 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.970 -4.424 3.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.535 -4.103 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.027 -3.458 2.665 1.00 0.00 H new ATOM 1266 N GLN A 81 8.353 -3.014 -2.968 1.00 0.00 N ATOM 1267 CA GLN A 81 9.197 -2.146 -3.771 1.00 0.00 C ATOM 1268 C GLN A 81 8.457 -0.851 -4.111 1.00 0.00 C ATOM 1269 O GLN A 81 8.916 0.238 -3.772 1.00 0.00 O ATOM 1270 CB GLN A 81 9.666 -2.859 -5.041 1.00 0.00 C ATOM 1271 CG GLN A 81 11.192 -2.838 -5.150 1.00 0.00 C ATOM 1272 CD GLN A 81 11.707 -1.414 -5.368 1.00 0.00 C ATOM 1273 OE1 GLN A 81 10.950 -0.468 -5.513 1.00 0.00 O ATOM 1274 NE2 GLN A 81 13.033 -1.314 -5.384 1.00 0.00 N ATOM 0 H GLN A 81 8.340 -3.990 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 81 10.082 -1.893 -3.188 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.312 -3.890 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.229 -2.377 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.631 -3.252 -4.242 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.510 -3.474 -5.976 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.609 -2.146 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.474 -0.405 -5.524 1.00 0.00 H new ATOM 1283 N GLU A 82 7.323 -1.013 -4.777 1.00 0.00 N ATOM 1284 CA GLU A 82 6.514 0.129 -5.167 1.00 0.00 C ATOM 1285 C GLU A 82 5.957 0.833 -3.927 1.00 0.00 C ATOM 1286 O GLU A 82 6.227 2.012 -3.705 1.00 0.00 O ATOM 1287 CB GLU A 82 5.386 -0.293 -6.111 1.00 0.00 C ATOM 1288 CG GLU A 82 4.610 0.924 -6.617 1.00 0.00 C ATOM 1289 CD GLU A 82 4.726 1.054 -8.138 1.00 0.00 C ATOM 1290 OE1 GLU A 82 5.878 1.028 -8.623 1.00 0.00 O ATOM 1291 OE2 GLU A 82 3.661 1.176 -8.780 1.00 0.00 O ATOM 0 H GLU A 82 6.945 -1.918 -5.056 1.00 0.00 H new ATOM 0 HA GLU A 82 7.149 0.832 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.801 -0.841 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.708 -0.971 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.561 0.834 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.992 1.827 -6.141 1.00 0.00 H new ATOM 1298 N MET A 83 5.190 0.079 -3.153 1.00 0.00 N ATOM 1299 CA MET A 83 4.592 0.616 -1.942 1.00 0.00 C ATOM 1300 C MET A 83 5.570 1.537 -1.210 1.00 0.00 C ATOM 1301 O MET A 83 5.309 2.729 -1.058 1.00 0.00 O ATOM 1302 CB MET A 83 4.187 -0.535 -1.020 1.00 0.00 C ATOM 1303 CG MET A 83 2.789 -0.308 -0.440 1.00 0.00 C ATOM 1304 SD MET A 83 2.901 0.629 1.075 1.00 0.00 S ATOM 1305 CE MET A 83 1.597 1.817 0.802 1.00 0.00 C ATOM 0 H MET A 83 4.969 -0.899 -3.341 1.00 0.00 H new ATOM 0 HA MET A 83 3.713 1.198 -2.220 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.207 -1.473 -1.574 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.910 -0.628 -0.210 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.169 0.224 -1.161 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.305 -1.266 -0.250 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.839 2.748 1.315 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.496 2.008 -0.266 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.658 1.422 1.190 1.00 0.00 H new ATOM 1315 N GLY A 84 6.676 0.949 -0.777 1.00 0.00 N ATOM 1316 CA GLY A 84 7.694 1.702 -0.064 1.00 0.00 C ATOM 1317 C GLY A 84 8.093 2.957 -0.843 1.00 0.00 C ATOM 1318 O GLY A 84 8.391 3.992 -0.249 1.00 0.00 O ATOM 0 H GLY A 84 6.889 -0.040 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.320 1.984 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.571 1.074 0.096 1.00 0.00 H new ATOM 1322 N LYS A 85 8.086 2.823 -2.162 1.00 0.00 N ATOM 1323 CA LYS A 85 8.444 3.934 -3.028 1.00 0.00 C ATOM 1324 C LYS A 85 7.333 4.985 -2.988 1.00 0.00 C ATOM 1325 O LYS A 85 7.607 6.184 -3.018 1.00 0.00 O ATOM 1326 CB LYS A 85 8.766 3.431 -4.437 1.00 0.00 C ATOM 1327 CG LYS A 85 9.070 4.598 -5.379 1.00 0.00 C ATOM 1328 CD LYS A 85 8.826 4.204 -6.837 1.00 0.00 C ATOM 1329 CE LYS A 85 10.054 4.504 -7.699 1.00 0.00 C ATOM 1330 NZ LYS A 85 9.702 4.460 -9.136 1.00 0.00 N ATOM 0 H LYS A 85 7.838 1.963 -2.651 1.00 0.00 H new ATOM 0 HA LYS A 85 9.353 4.418 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.621 2.757 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.924 2.857 -4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.444 5.452 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.106 4.912 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.587 3.142 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.964 4.747 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.452 5.487 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.839 3.778 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.547 4.666 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.343 3.514 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.968 5.169 -9.336 1.00 0.00 H new ATOM 1344 N LEU A 86 6.103 4.497 -2.922 1.00 0.00 N ATOM 1345 CA LEU A 86 4.949 5.379 -2.878 1.00 0.00 C ATOM 1346 C LEU A 86 5.062 6.299 -1.661 1.00 0.00 C ATOM 1347 O LEU A 86 4.492 7.389 -1.647 1.00 0.00 O ATOM 1348 CB LEU A 86 3.653 4.568 -2.918 1.00 0.00 C ATOM 1349 CG LEU A 86 3.083 4.282 -4.309 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.328 2.951 -4.329 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.212 5.442 -4.795 1.00 0.00 C ATOM 0 H LEU A 86 5.880 3.502 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 86 4.924 6.019 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.828 3.616 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.897 5.099 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 86 3.916 4.191 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.933 2.772 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.007 2.143 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.505 2.989 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.820 5.212 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.384 5.590 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.811 6.351 -4.844 1.00 0.00 H new ATOM 1363 N GLU A 87 5.802 5.826 -0.669 1.00 0.00 N ATOM 1364 CA GLU A 87 5.997 6.593 0.550 1.00 0.00 C ATOM 1365 C GLU A 87 6.955 7.759 0.296 1.00 0.00 C ATOM 1366 O GLU A 87 6.818 8.822 0.899 1.00 0.00 O ATOM 1367 CB GLU A 87 6.508 5.700 1.683 1.00 0.00 C ATOM 1368 CG GLU A 87 5.351 5.193 2.546 1.00 0.00 C ATOM 1369 CD GLU A 87 5.585 5.517 4.023 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.710 6.723 4.326 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.633 4.551 4.815 1.00 0.00 O ATOM 0 H GLU A 87 6.274 4.922 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 87 5.034 7.000 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.053 4.853 1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.211 6.258 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.418 5.648 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.243 4.116 2.419 1.00 0.00 H new ATOM 1378 N THR A 88 7.904 7.520 -0.597 1.00 0.00 N ATOM 1379 CA THR A 88 8.884 8.537 -0.937 1.00 0.00 C ATOM 1380 C THR A 88 8.314 9.499 -1.981 1.00 0.00 C ATOM 1381 O THR A 88 8.158 10.690 -1.713 1.00 0.00 O ATOM 1382 CB THR A 88 10.160 7.828 -1.398 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.886 7.603 -0.193 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.074 8.742 -2.218 1.00 0.00 C ATOM 0 H THR A 88 8.015 6.637 -1.095 1.00 0.00 H new ATOM 0 HA THR A 88 9.130 9.153 -0.072 1.00 0.00 H new ATOM 0 HB THR A 88 9.895 6.953 -1.991 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.728 7.145 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.964 8.190 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.543 9.087 -3.105 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.367 9.601 -1.614 1.00 0.00 H new ATOM 1392 N ASP A 89 8.017 8.948 -3.148 1.00 0.00 N ATOM 1393 CA ASP A 89 7.467 9.743 -4.233 1.00 0.00 C ATOM 1394 C ASP A 89 6.360 10.647 -3.687 1.00 0.00 C ATOM 1395 O ASP A 89 6.094 11.712 -4.241 1.00 0.00 O ATOM 1396 CB ASP A 89 6.857 8.850 -5.316 1.00 0.00 C ATOM 1397 CG ASP A 89 7.610 8.842 -6.647 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.225 9.885 -6.958 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.553 7.793 -7.325 1.00 0.00 O ATOM 0 H ASP A 89 8.147 7.960 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 89 8.277 10.331 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.807 7.829 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.832 9.173 -5.498 1.00 0.00 H new ATOM 1404 N PHE A 90 5.745 10.188 -2.606 1.00 0.00 N ATOM 1405 CA PHE A 90 4.673 10.942 -1.979 1.00 0.00 C ATOM 1406 C PHE A 90 5.226 12.141 -1.206 1.00 0.00 C ATOM 1407 O PHE A 90 4.698 13.248 -1.309 1.00 0.00 O ATOM 1408 CB PHE A 90 3.975 9.997 -1.000 1.00 0.00 C ATOM 1409 CG PHE A 90 3.099 10.707 0.034 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.418 11.833 -0.311 1.00 0.00 C ATOM 1411 CD2 PHE A 90 3.000 10.214 1.297 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.604 12.493 0.648 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.187 10.873 2.256 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.506 11.999 1.911 1.00 0.00 C ATOM 0 H PHE A 90 5.969 9.304 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 90 3.988 11.318 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.358 9.297 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.730 9.408 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.496 12.225 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.540 9.320 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.063 13.387 0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.109 10.481 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.887 12.501 2.640 1.00 0.00 H new ATOM 1424 N LYS A 91 6.282 11.881 -0.449 1.00 0.00 N ATOM 1425 CA LYS A 91 6.912 12.925 0.342 1.00 0.00 C ATOM 1426 C LYS A 91 7.667 13.877 -0.588 1.00 0.00 C ATOM 1427 O LYS A 91 7.802 15.063 -0.291 1.00 0.00 O ATOM 1428 CB LYS A 91 7.786 12.313 1.438 1.00 0.00 C ATOM 1429 CG LYS A 91 9.217 12.096 0.941 1.00 0.00 C ATOM 1430 CD LYS A 91 10.078 11.435 2.019 1.00 0.00 C ATOM 1431 CE LYS A 91 11.271 12.320 2.386 1.00 0.00 C ATOM 1432 NZ LYS A 91 12.515 11.520 2.431 1.00 0.00 N ATOM 0 H LYS A 91 6.717 10.962 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 91 6.159 13.517 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.795 12.968 2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.361 11.362 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.205 11.472 0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.656 13.052 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.474 11.246 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.434 10.468 1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.374 13.123 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.099 12.790 3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.315 12.136 2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.419 10.769 3.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.686 11.092 1.499 1.00 0.00 H new ATOM 1446 N ARG A 92 8.139 13.321 -1.694 1.00 0.00 N ATOM 1447 CA ARG A 92 8.877 14.106 -2.669 1.00 0.00 C ATOM 1448 C ARG A 92 7.911 14.831 -3.609 1.00 0.00 C ATOM 1449 O ARG A 92 8.337 15.579 -4.487 1.00 0.00 O ATOM 1450 CB ARG A 92 9.813 13.221 -3.495 1.00 0.00 C ATOM 1451 CG ARG A 92 11.162 13.046 -2.795 1.00 0.00 C ATOM 1452 CD ARG A 92 12.115 12.203 -3.644 1.00 0.00 C ATOM 1453 NE ARG A 92 13.195 13.055 -4.190 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.976 12.709 -5.222 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.802 11.526 -5.827 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.931 13.546 -5.650 1.00 0.00 N ATOM 0 H ARG A 92 8.025 12.337 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 92 9.474 14.836 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.352 12.246 -3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.965 13.665 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.606 14.023 -2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.014 12.569 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.542 11.403 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.567 11.729 -4.459 1.00 0.00 H new ATOM 0 HE ARG A 92 13.355 13.963 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.075 10.889 -5.502 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.397 11.263 -6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.063 14.447 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.526 13.282 -6.436 1.00 0.00 H new ATOM 1470 N SER A 93 6.628 14.583 -3.392 1.00 0.00 N ATOM 1471 CA SER A 93 5.597 15.202 -4.208 1.00 0.00 C ATOM 1472 C SER A 93 4.904 16.316 -3.420 1.00 0.00 C ATOM 1473 O SER A 93 4.597 17.372 -3.971 1.00 0.00 O ATOM 1474 CB SER A 93 4.573 14.169 -4.679 1.00 0.00 C ATOM 1475 OG SER A 93 4.006 13.444 -3.591 1.00 0.00 O ATOM 0 H SER A 93 6.279 13.962 -2.663 1.00 0.00 H new ATOM 0 HA SER A 93 6.072 15.631 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.780 14.671 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.051 13.473 -5.368 1.00 0.00 H new ATOM 0 HG SER A 93 4.459 13.695 -2.759 1.00 0.00 H new ATOM 1481 N ARG A 94 4.678 16.042 -2.144 1.00 0.00 N ATOM 1482 CA ARG A 94 4.027 17.007 -1.275 1.00 0.00 C ATOM 1483 C ARG A 94 4.975 18.169 -0.968 1.00 0.00 C ATOM 1484 O ARG A 94 4.535 19.240 -0.553 1.00 0.00 O ATOM 1485 CB ARG A 94 3.587 16.357 0.038 1.00 0.00 C ATOM 1486 CG ARG A 94 4.797 15.928 0.871 1.00 0.00 C ATOM 1487 CD ARG A 94 4.374 15.018 2.025 1.00 0.00 C ATOM 1488 NE ARG A 94 5.493 14.858 2.980 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.342 14.487 4.259 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.119 14.236 4.744 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.415 14.367 5.053 1.00 0.00 N ATOM 0 H ARG A 94 4.934 15.165 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 94 3.145 17.380 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.978 17.058 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.961 15.490 -0.173 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.513 15.407 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.303 16.810 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.508 15.441 2.534 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.072 14.044 1.639 1.00 0.00 H new ATOM 0 HE ARG A 94 6.438 15.042 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.302 14.327 4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.004 13.954 5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.346 14.558 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.300 14.085 6.026 1.00 0.00 H new ATOM 1505 N ILE A 95 6.258 17.917 -1.184 1.00 0.00 N ATOM 1506 CA ILE A 95 7.271 18.929 -0.936 1.00 0.00 C ATOM 1507 C ILE A 95 7.395 19.832 -2.165 1.00 0.00 C ATOM 1508 O ILE A 95 7.401 21.056 -2.042 1.00 0.00 O ATOM 1509 CB ILE A 95 8.589 18.275 -0.518 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.211 17.500 -1.682 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.397 17.396 0.719 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.547 16.877 -1.274 1.00 0.00 C ATOM 0 H ILE A 95 6.619 17.027 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 95 6.978 19.565 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 95 9.290 19.064 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.526 16.718 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.361 18.169 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.349 16.943 0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.032 18.006 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.672 16.612 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.968 16.332 -2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 95 11.237 17.664 -0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 95 10.389 16.191 -0.442 1.00 0.00 H new