USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 888 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 121 SER OG : rot 70:sc= 0.825 USER MOD Set 1.2: A 125 GLN : amide:sc= -0.0943 K(o=0.73,f=-0.037) USER MOD Set 2.1: A 110 SER OG : rot -33:sc= 0.196 USER MOD Set 2.2: A 118 ASN :FLIP amide:sc= -0.252 F(o=-1,f=-0.056) USER MOD Set 3.1: A 101 ASN : amide:sc= -1.41! C(o=-1.3!,f=-6.8!) USER MOD Set 3.2: A 103 SER OG : rot 180:sc= 0.151 USER MOD Set 4.1: A 23 ASN : amide:sc= -1.31 K(o=1.2,f=-6.1!) USER MOD Set 4.2: A 30 THR OG1 : rot 99:sc= 1 USER MOD Set 4.3: A 92 SER OG : rot 122:sc= 1.46 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 123:sc=-0.00641 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.416 USER MOD Single : A 40 SER OG : rot 147:sc= 0.376 USER MOD Single : A 41 GLN : amide:sc= -1.89! C(o=-1.9!,f=-3.5!) USER MOD Single : A 42 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.79) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 133:sc= 0.341 USER MOD Single : A 49 GLN : amide:sc= -0.135 K(o=-0.14,f=-0.94) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.184 F(o=-1.8!,f=-0.18) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0524 USER MOD Single : A 57 SER OG : rot -98:sc= 0.858 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00673 X(o=-0.0067,f=-0.32) USER MOD Single : A 65 ASN :FLIP amide:sc= 0.704 F(o=-2.4!,f=0.7) USER MOD Single : A 72 GLN : amide:sc= 0.38 K(o=0.38,f=-6.1!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 88:sc= 0.486 USER MOD Single : A 88 GLN : amide:sc= 0.296 K(o=0.3,f=-6!) USER MOD Single : A 91 SER OG : rot 98:sc= 0.769 USER MOD Single : A 96 ASN : amide:sc= -0.775 K(o=-0.77,f=-6.6!) USER MOD Single : A 104 ASN : amide:sc= -0.718 K(o=-0.72,f=-3.1!) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 114 SER OG : rot -45:sc= 1.23 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc=-0.00148 K(o=-0.0015,f=-0.76) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.574 F(o=-1.1,f=-0.57) USER MOD Single : A 138 SER OG : rot 121:sc= 0.122 USER MOD Single : A 141 SER OG : rot -93:sc= 1.28 USER MOD Single : A 142 SER OG : rot 83:sc= 0.542 USER MOD Single : A 143 SER OG : rot 160:sc= -1.85! USER MOD Single : A 144 SER OG : rot -34:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -3.068 -5.541 -13.840 1.00 0.00 N ATOM 124 CA GLY A 12 -2.175 -5.218 -14.929 1.00 0.00 C ATOM 125 C GLY A 12 -0.812 -5.849 -14.754 1.00 0.00 C ATOM 126 O GLY A 12 -0.654 -6.794 -13.975 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.613 -5.556 -15.868 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.067 -4.136 -14.999 1.00 0.00 H new ATOM 130 N ALA A 13 0.184 -5.305 -15.455 1.00 0.00 N ATOM 131 CA ALA A 13 1.560 -5.812 -15.393 1.00 0.00 C ATOM 132 C ALA A 13 2.139 -5.692 -13.986 1.00 0.00 C ATOM 133 O ALA A 13 3.182 -6.276 -13.675 1.00 0.00 O ATOM 134 CB ALA A 13 2.438 -5.070 -16.391 1.00 0.00 C ATOM 0 H ALA A 13 0.064 -4.506 -16.078 1.00 0.00 H new ATOM 0 HA ALA A 13 1.538 -6.870 -15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.456 -5.455 -16.336 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.048 -5.217 -17.398 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.439 -4.006 -16.154 1.00 0.00 H new ATOM 140 N SER A 14 1.452 -4.932 -13.143 1.00 0.00 N ATOM 141 CA SER A 14 1.854 -4.740 -11.770 1.00 0.00 C ATOM 142 C SER A 14 2.030 -6.084 -11.068 1.00 0.00 C ATOM 143 O SER A 14 2.991 -6.283 -10.345 1.00 0.00 O ATOM 144 CB SER A 14 0.801 -3.911 -11.036 1.00 0.00 C ATOM 145 OG SER A 14 0.439 -2.769 -11.792 1.00 0.00 O ATOM 0 H SER A 14 0.600 -4.434 -13.400 1.00 0.00 H new ATOM 0 HA SER A 14 2.808 -4.213 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.082 -4.522 -10.847 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.188 -3.602 -10.065 1.00 0.00 H new ATOM 0 HG SER A 14 -0.237 -2.254 -11.304 1.00 0.00 H new ATOM 151 N ALA A 15 1.114 -7.017 -11.339 1.00 0.00 N ATOM 152 CA ALA A 15 1.109 -8.330 -10.686 1.00 0.00 C ATOM 153 C ALA A 15 2.424 -9.091 -10.882 1.00 0.00 C ATOM 154 O ALA A 15 2.787 -9.941 -10.068 1.00 0.00 O ATOM 155 CB ALA A 15 -0.061 -9.155 -11.182 1.00 0.00 C ATOM 0 H ALA A 15 0.359 -6.886 -12.013 1.00 0.00 H new ATOM 0 HA ALA A 15 1.002 -8.157 -9.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.055 -10.128 -10.690 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.993 -8.639 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.022 -9.293 -12.260 1.00 0.00 H new ATOM 161 N GLY A 16 3.131 -8.790 -11.953 1.00 0.00 N ATOM 162 CA GLY A 16 4.388 -9.450 -12.198 1.00 0.00 C ATOM 163 C GLY A 16 5.557 -8.736 -11.542 1.00 0.00 C ATOM 164 O GLY A 16 6.411 -9.367 -10.915 1.00 0.00 O ATOM 0 H GLY A 16 2.858 -8.103 -12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.336 -10.473 -11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.560 -9.510 -13.273 1.00 0.00 H new ATOM 168 N LEU A 17 5.576 -7.419 -11.659 1.00 0.00 N ATOM 169 CA LEU A 17 6.692 -6.609 -11.173 1.00 0.00 C ATOM 170 C LEU A 17 6.617 -6.269 -9.672 1.00 0.00 C ATOM 171 O LEU A 17 7.630 -5.916 -9.075 1.00 0.00 O ATOM 172 CB LEU A 17 6.865 -5.341 -12.036 1.00 0.00 C ATOM 173 CG LEU A 17 5.633 -4.443 -12.217 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.392 -3.566 -10.994 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.783 -3.592 -13.467 1.00 0.00 C ATOM 0 H LEU A 17 4.826 -6.879 -12.090 1.00 0.00 H new ATOM 0 HA LEU A 17 7.582 -7.230 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.660 -4.739 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.207 -5.649 -13.024 1.00 0.00 H new ATOM 0 HG LEU A 17 4.762 -5.088 -12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.512 -2.945 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.232 -4.197 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.260 -2.928 -10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.903 -2.960 -13.584 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.670 -2.966 -13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.883 -4.239 -14.338 1.00 0.00 H new ATOM 187 N ILE A 18 5.423 -6.359 -9.080 1.00 0.00 N ATOM 188 CA ILE A 18 5.214 -6.024 -7.647 1.00 0.00 C ATOM 189 C ILE A 18 6.322 -6.566 -6.725 1.00 0.00 C ATOM 190 O ILE A 18 6.877 -5.833 -5.913 1.00 0.00 O ATOM 191 CB ILE A 18 3.847 -6.528 -7.123 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.571 -7.964 -7.598 1.00 0.00 C ATOM 193 CG2 ILE A 18 2.727 -5.582 -7.527 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.287 -8.556 -7.060 1.00 0.00 C ATOM 0 H ILE A 18 4.577 -6.661 -9.563 1.00 0.00 H new ATOM 0 HA ILE A 18 5.241 -4.935 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 18 3.887 -6.544 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.535 -7.974 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.405 -8.600 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.778 -5.959 -7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.918 -4.593 -7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.682 -5.515 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.166 -9.570 -7.442 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.326 -8.580 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.443 -7.945 -7.379 1.00 0.00 H new ATOM 206 N SER A 19 6.633 -7.830 -6.861 1.00 0.00 N ATOM 207 CA SER A 19 7.636 -8.463 -6.033 1.00 0.00 C ATOM 208 C SER A 19 9.050 -8.256 -6.584 1.00 0.00 C ATOM 209 O SER A 19 10.031 -8.406 -5.868 1.00 0.00 O ATOM 210 CB SER A 19 7.317 -9.948 -5.912 1.00 0.00 C ATOM 211 OG SER A 19 6.839 -10.458 -7.154 1.00 0.00 O ATOM 0 H SER A 19 6.201 -8.451 -7.546 1.00 0.00 H new ATOM 0 HA SER A 19 7.612 -7.998 -5.047 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.210 -10.494 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.568 -10.103 -5.136 1.00 0.00 H new ATOM 0 HG SER A 19 6.640 -11.413 -7.061 1.00 0.00 H new ATOM 217 N ARG A 20 9.134 -7.909 -7.857 1.00 0.00 N ATOM 218 CA ARG A 20 10.416 -7.793 -8.545 1.00 0.00 C ATOM 219 C ARG A 20 11.090 -6.419 -8.374 1.00 0.00 C ATOM 220 O ARG A 20 12.308 -6.339 -8.288 1.00 0.00 O ATOM 221 CB ARG A 20 10.235 -8.063 -10.037 1.00 0.00 C ATOM 222 CG ARG A 20 9.679 -9.432 -10.376 1.00 0.00 C ATOM 223 CD ARG A 20 9.553 -9.596 -11.880 1.00 0.00 C ATOM 224 NE ARG A 20 8.909 -10.854 -12.259 1.00 0.00 N ATOM 225 CZ ARG A 20 8.471 -11.119 -13.495 1.00 0.00 C ATOM 226 NH1 ARG A 20 8.587 -10.203 -14.452 1.00 0.00 N ATOM 227 NH2 ARG A 20 7.902 -12.288 -13.770 1.00 0.00 N ATOM 0 H ARG A 20 8.325 -7.701 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 20 11.068 -8.535 -8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.570 -7.305 -10.450 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.199 -7.946 -10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.332 -10.206 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.704 -9.561 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.979 -8.762 -12.285 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.544 -9.550 -12.331 1.00 0.00 H new ATOM 0 HE ARG A 20 8.787 -11.568 -11.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.010 -9.298 -14.244 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.253 -10.405 -15.394 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.797 -12.989 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.570 -12.484 -14.714 1.00 0.00 H new ATOM 241 N VAL A 21 10.306 -5.351 -8.338 1.00 0.00 N ATOM 242 CA VAL A 21 10.882 -3.999 -8.344 1.00 0.00 C ATOM 243 C VAL A 21 11.562 -3.586 -7.011 1.00 0.00 C ATOM 244 O VAL A 21 12.676 -4.006 -6.714 1.00 0.00 O ATOM 245 CB VAL A 21 9.847 -2.916 -8.769 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.529 -1.572 -8.964 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.125 -3.324 -10.041 1.00 0.00 C ATOM 0 H VAL A 21 9.287 -5.384 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 21 11.670 -4.052 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 21 9.111 -2.824 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.789 -0.828 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.999 -1.264 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.288 -1.659 -9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.408 -2.551 -10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.849 -3.450 -10.846 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.599 -4.264 -9.875 1.00 0.00 H new ATOM 257 N ALA A 22 10.873 -2.765 -6.224 1.00 0.00 N ATOM 258 CA ALA A 22 11.445 -2.187 -5.012 1.00 0.00 C ATOM 259 C ALA A 22 11.628 -3.198 -3.897 1.00 0.00 C ATOM 260 O ALA A 22 12.714 -3.320 -3.330 1.00 0.00 O ATOM 261 CB ALA A 22 10.576 -1.037 -4.531 1.00 0.00 C ATOM 0 H ALA A 22 9.910 -2.483 -6.406 1.00 0.00 H new ATOM 0 HA ALA A 22 12.440 -1.826 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.007 -0.609 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.524 -0.272 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.573 -1.404 -4.316 1.00 0.00 H new ATOM 267 N ASN A 23 10.572 -3.919 -3.586 1.00 0.00 N ATOM 268 CA ASN A 23 10.583 -4.851 -2.465 1.00 0.00 C ATOM 269 C ASN A 23 11.613 -5.970 -2.609 1.00 0.00 C ATOM 270 O ASN A 23 12.068 -6.515 -1.607 1.00 0.00 O ATOM 271 CB ASN A 23 9.188 -5.414 -2.208 1.00 0.00 C ATOM 272 CG ASN A 23 8.380 -4.549 -1.246 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.605 -5.059 -0.442 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.547 -3.233 -1.329 1.00 0.00 N ATOM 0 H ASN A 23 9.688 -3.881 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 23 10.893 -4.272 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.653 -5.498 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.275 -6.421 -1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.022 -2.612 -0.712 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.200 -2.844 -2.009 1.00 0.00 H new ATOM 281 N ALA A 24 11.992 -6.295 -3.838 1.00 0.00 N ATOM 282 CA ALA A 24 12.977 -7.349 -4.072 1.00 0.00 C ATOM 283 C ALA A 24 14.314 -7.012 -3.415 1.00 0.00 C ATOM 284 O ALA A 24 14.915 -7.849 -2.743 1.00 0.00 O ATOM 285 CB ALA A 24 13.168 -7.582 -5.558 1.00 0.00 C ATOM 0 H ALA A 24 11.637 -5.849 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 24 12.597 -8.265 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.905 -8.370 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.219 -7.881 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.517 -6.663 -6.029 1.00 0.00 H new ATOM 291 N LEU A 25 14.764 -5.777 -3.602 1.00 0.00 N ATOM 292 CA LEU A 25 16.033 -5.338 -3.033 1.00 0.00 C ATOM 293 C LEU A 25 15.848 -4.897 -1.581 1.00 0.00 C ATOM 294 O LEU A 25 16.772 -4.979 -0.775 1.00 0.00 O ATOM 295 CB LEU A 25 16.634 -4.196 -3.868 1.00 0.00 C ATOM 296 CG LEU A 25 18.037 -3.722 -3.451 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.063 -4.842 -3.616 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.446 -2.498 -4.259 1.00 0.00 C ATOM 0 H LEU A 25 14.272 -5.064 -4.141 1.00 0.00 H new ATOM 0 HA LEU A 25 16.725 -6.180 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.675 -4.516 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.956 -3.344 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 25 18.004 -3.447 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.047 -4.482 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.780 -5.689 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.095 -5.155 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.441 -2.175 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 18.457 -2.749 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.733 -1.692 -4.085 1.00 0.00 H new ATOM 310 N ALA A 26 14.646 -4.425 -1.257 1.00 0.00 N ATOM 311 CA ALA A 26 14.339 -3.991 0.102 1.00 0.00 C ATOM 312 C ALA A 26 14.367 -5.175 1.061 1.00 0.00 C ATOM 313 O ALA A 26 14.867 -5.065 2.181 1.00 0.00 O ATOM 314 CB ALA A 26 12.984 -3.297 0.149 1.00 0.00 C ATOM 0 H ALA A 26 13.872 -4.334 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 26 15.101 -3.277 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.773 -2.981 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.999 -2.425 -0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.210 -3.988 -0.184 1.00 0.00 H new ATOM 320 N ASN A 27 13.794 -6.302 0.607 1.00 0.00 N ATOM 321 CA ASN A 27 13.780 -7.568 1.360 1.00 0.00 C ATOM 322 C ASN A 27 13.138 -7.410 2.752 1.00 0.00 C ATOM 323 O ASN A 27 13.298 -8.263 3.626 1.00 0.00 O ATOM 324 CB ASN A 27 15.205 -8.112 1.477 1.00 0.00 C ATOM 325 CG ASN A 27 15.254 -9.623 1.614 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.222 -10.168 2.716 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.344 -10.308 0.490 1.00 0.00 N ATOM 0 H ASN A 27 13.325 -6.361 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 27 13.164 -8.280 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.775 -7.814 0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.691 -7.658 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.390 -11.327 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.368 -9.819 -0.405 1.00 0.00 H new ATOM 334 N THR A 28 12.392 -6.331 2.930 1.00 0.00 N ATOM 335 CA THR A 28 11.752 -6.027 4.194 1.00 0.00 C ATOM 336 C THR A 28 10.568 -6.997 4.468 1.00 0.00 C ATOM 337 O THR A 28 10.161 -7.760 3.592 1.00 0.00 O ATOM 338 CB THR A 28 11.273 -4.553 4.195 1.00 0.00 C ATOM 339 OG1 THR A 28 12.283 -3.738 3.580 1.00 0.00 O ATOM 340 CG2 THR A 28 11.034 -4.046 5.611 1.00 0.00 C ATOM 0 H THR A 28 12.215 -5.642 2.199 1.00 0.00 H new ATOM 0 HA THR A 28 12.477 -6.162 4.996 1.00 0.00 H new ATOM 0 HB THR A 28 10.334 -4.497 3.645 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.990 -2.803 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.699 -3.009 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.271 -4.657 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.961 -4.108 6.181 1.00 0.00 H new ATOM 348 N SER A 29 10.039 -6.970 5.683 1.00 0.00 N ATOM 349 CA SER A 29 8.945 -7.847 6.076 1.00 0.00 C ATOM 350 C SER A 29 7.677 -7.610 5.244 1.00 0.00 C ATOM 351 O SER A 29 6.812 -8.478 5.184 1.00 0.00 O ATOM 352 CB SER A 29 8.638 -7.655 7.559 1.00 0.00 C ATOM 353 OG SER A 29 9.806 -7.832 8.339 1.00 0.00 O ATOM 0 H SER A 29 10.355 -6.342 6.422 1.00 0.00 H new ATOM 0 HA SER A 29 9.266 -8.872 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.232 -6.657 7.725 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.874 -8.367 7.872 1.00 0.00 H new ATOM 0 HG SER A 29 9.968 -7.026 8.873 1.00 0.00 H new ATOM 359 N THR A 30 7.605 -6.451 4.585 1.00 0.00 N ATOM 360 CA THR A 30 6.434 -6.053 3.794 1.00 0.00 C ATOM 361 C THR A 30 6.080 -7.080 2.710 1.00 0.00 C ATOM 362 O THR A 30 4.915 -7.369 2.471 1.00 0.00 O ATOM 363 CB THR A 30 6.669 -4.679 3.135 1.00 0.00 C ATOM 364 OG1 THR A 30 7.863 -4.722 2.333 1.00 0.00 O ATOM 365 CG2 THR A 30 6.823 -3.598 4.195 1.00 0.00 C ATOM 0 H THR A 30 8.356 -5.761 4.584 1.00 0.00 H new ATOM 0 HA THR A 30 5.595 -5.996 4.488 1.00 0.00 H new ATOM 0 HB THR A 30 5.808 -4.446 2.508 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.621 -4.861 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.988 -2.635 3.711 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.917 -3.550 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.674 -3.834 4.834 1.00 0.00 H new ATOM 373 N LEU A 31 7.090 -7.617 2.059 1.00 0.00 N ATOM 374 CA LEU A 31 6.878 -8.603 1.015 1.00 0.00 C ATOM 375 C LEU A 31 7.047 -10.004 1.574 1.00 0.00 C ATOM 376 O LEU A 31 6.580 -10.985 0.992 1.00 0.00 O ATOM 377 CB LEU A 31 7.853 -8.399 -0.157 1.00 0.00 C ATOM 378 CG LEU A 31 9.339 -8.646 0.145 1.00 0.00 C ATOM 379 CD1 LEU A 31 10.062 -9.136 -1.100 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.006 -7.382 0.675 1.00 0.00 C ATOM 0 H LEU A 31 8.069 -7.388 2.233 1.00 0.00 H new ATOM 0 HA LEU A 31 5.861 -8.476 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.554 -9.061 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.743 -7.377 -0.520 1.00 0.00 H new ATOM 0 HG LEU A 31 9.402 -9.416 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.113 -9.306 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.611 -10.068 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.981 -8.386 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.057 -7.584 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.928 -6.590 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.511 -7.067 1.593 1.00 0.00 H new ATOM 392 N ARG A 32 7.732 -10.086 2.704 1.00 0.00 N ATOM 393 CA ARG A 32 8.077 -11.358 3.306 1.00 0.00 C ATOM 394 C ARG A 32 6.878 -12.032 3.987 1.00 0.00 C ATOM 395 O ARG A 32 6.673 -13.234 3.822 1.00 0.00 O ATOM 396 CB ARG A 32 9.220 -11.176 4.303 1.00 0.00 C ATOM 397 CG ARG A 32 9.909 -12.474 4.691 1.00 0.00 C ATOM 398 CD ARG A 32 10.988 -12.244 5.739 1.00 0.00 C ATOM 399 NE ARG A 32 12.007 -11.283 5.297 1.00 0.00 N ATOM 400 CZ ARG A 32 13.179 -11.104 5.911 1.00 0.00 C ATOM 401 NH1 ARG A 32 13.510 -11.862 6.951 1.00 0.00 N ATOM 402 NH2 ARG A 32 14.027 -10.184 5.476 1.00 0.00 N ATOM 0 H ARG A 32 8.062 -9.274 3.226 1.00 0.00 H new ATOM 0 HA ARG A 32 8.398 -12.018 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.958 -10.498 3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.832 -10.699 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.171 -13.177 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.352 -12.930 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.526 -11.882 6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.468 -13.194 5.976 1.00 0.00 H new ATOM 0 HE ARG A 32 11.807 -10.718 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.868 -12.582 7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.406 -11.723 7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.786 -9.609 4.669 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.921 -10.051 5.948 1.00 0.00 H new ATOM 416 N THR A 33 6.082 -11.265 4.739 1.00 0.00 N ATOM 417 CA THR A 33 4.944 -11.851 5.464 1.00 0.00 C ATOM 418 C THR A 33 4.104 -10.799 6.198 1.00 0.00 C ATOM 419 O THR A 33 2.921 -11.017 6.469 1.00 0.00 O ATOM 420 CB THR A 33 5.413 -12.923 6.478 1.00 0.00 C ATOM 421 OG1 THR A 33 4.281 -13.585 7.057 1.00 0.00 O ATOM 422 CG2 THR A 33 6.260 -12.305 7.585 1.00 0.00 C ATOM 0 H THR A 33 6.198 -10.259 4.862 1.00 0.00 H new ATOM 0 HA THR A 33 4.317 -12.316 4.704 1.00 0.00 H new ATOM 0 HB THR A 33 6.024 -13.646 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.589 -14.262 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.574 -13.083 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.140 -11.832 7.149 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.673 -11.557 8.118 1.00 0.00 H new ATOM 430 N VAL A 34 4.710 -9.686 6.528 1.00 0.00 N ATOM 431 CA VAL A 34 4.012 -8.619 7.227 1.00 0.00 C ATOM 432 C VAL A 34 3.429 -7.639 6.221 1.00 0.00 C ATOM 433 O VAL A 34 4.064 -7.332 5.226 1.00 0.00 O ATOM 434 CB VAL A 34 4.960 -7.871 8.204 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.226 -6.762 8.946 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.584 -8.848 9.190 1.00 0.00 C ATOM 0 H VAL A 34 5.690 -9.488 6.326 1.00 0.00 H new ATOM 0 HA VAL A 34 3.207 -9.065 7.811 1.00 0.00 H new ATOM 0 HB VAL A 34 5.754 -7.411 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.917 -6.258 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.831 -6.043 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.404 -7.190 9.520 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.246 -8.308 9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.797 -9.338 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.157 -9.599 8.645 1.00 0.00 H new ATOM 446 N LEU A 35 2.209 -7.172 6.480 1.00 0.00 N ATOM 447 CA LEU A 35 1.540 -6.225 5.589 1.00 0.00 C ATOM 448 C LEU A 35 2.401 -4.981 5.379 1.00 0.00 C ATOM 449 O LEU A 35 3.113 -4.546 6.293 1.00 0.00 O ATOM 450 CB LEU A 35 0.157 -5.816 6.143 1.00 0.00 C ATOM 451 CG LEU A 35 0.155 -4.868 7.364 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.234 -4.310 7.602 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.652 -5.575 8.617 1.00 0.00 C ATOM 0 H LEU A 35 1.663 -7.434 7.301 1.00 0.00 H new ATOM 0 HA LEU A 35 1.395 -6.723 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.404 -5.339 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.383 -6.723 6.414 1.00 0.00 H new ATOM 0 HG LEU A 35 0.837 -4.046 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.216 -3.645 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.558 -3.754 6.722 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.928 -5.129 7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.638 -4.880 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.004 -6.423 8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.670 -5.928 8.456 1.00 0.00 H new ATOM 465 N ARG A 36 2.344 -4.420 4.177 1.00 0.00 N ATOM 466 CA ARG A 36 3.126 -3.239 3.855 1.00 0.00 C ATOM 467 C ARG A 36 2.765 -2.070 4.766 1.00 0.00 C ATOM 468 O ARG A 36 1.632 -1.965 5.260 1.00 0.00 O ATOM 469 CB ARG A 36 2.941 -2.826 2.391 1.00 0.00 C ATOM 470 CG ARG A 36 1.647 -2.077 2.113 1.00 0.00 C ATOM 471 CD ARG A 36 1.669 -1.454 0.733 1.00 0.00 C ATOM 472 NE ARG A 36 0.543 -0.539 0.513 1.00 0.00 N ATOM 473 CZ ARG A 36 0.608 0.791 0.691 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.705 1.346 1.207 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.428 1.562 0.371 1.00 0.00 N ATOM 0 H ARG A 36 1.764 -4.765 3.412 1.00 0.00 H new ATOM 0 HA ARG A 36 4.172 -3.499 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.782 -2.199 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.972 -3.719 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.802 -2.761 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.503 -1.301 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.605 -0.913 0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.645 -2.243 -0.019 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.344 -0.938 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.498 0.760 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.751 2.356 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.276 1.144 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.374 2.571 0.508 1.00 0.00 H new ATOM 489 N THR A 37 3.723 -1.196 4.970 1.00 0.00 N ATOM 490 CA THR A 37 3.546 -0.038 5.799 1.00 0.00 C ATOM 491 C THR A 37 2.558 0.928 5.165 1.00 0.00 C ATOM 492 O THR A 37 2.811 1.478 4.086 1.00 0.00 O ATOM 493 CB THR A 37 4.883 0.682 6.016 1.00 0.00 C ATOM 494 OG1 THR A 37 5.917 -0.290 6.225 1.00 0.00 O ATOM 495 CG2 THR A 37 4.801 1.597 7.228 1.00 0.00 C ATOM 0 H THR A 37 4.653 -1.274 4.559 1.00 0.00 H new ATOM 0 HA THR A 37 3.157 -0.374 6.760 1.00 0.00 H new ATOM 0 HB THR A 37 5.108 1.282 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.791 0.152 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.757 2.101 7.369 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.019 2.340 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.568 1.007 8.114 1.00 0.00 H new ATOM 503 N GLY A 38 1.432 1.112 5.819 1.00 0.00 N ATOM 504 CA GLY A 38 0.439 2.022 5.322 1.00 0.00 C ATOM 505 C GLY A 38 -0.453 1.391 4.287 1.00 0.00 C ATOM 506 O GLY A 38 -0.774 2.015 3.274 1.00 0.00 O ATOM 0 H GLY A 38 1.187 0.643 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.170 2.380 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.932 2.893 4.890 1.00 0.00 H new ATOM 510 N VAL A 39 -0.818 0.133 4.528 1.00 0.00 N ATOM 511 CA VAL A 39 -1.715 -0.608 3.644 1.00 0.00 C ATOM 512 C VAL A 39 -2.998 0.196 3.334 1.00 0.00 C ATOM 513 O VAL A 39 -3.496 0.956 4.170 1.00 0.00 O ATOM 514 CB VAL A 39 -2.084 -1.993 4.246 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.955 -1.848 5.488 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.758 -2.877 3.210 1.00 0.00 C ATOM 0 H VAL A 39 -0.502 -0.399 5.338 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.179 -0.769 2.709 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.155 -2.476 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.194 -2.836 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.418 -1.276 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.877 -1.329 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.005 -3.839 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.671 -2.395 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.082 -3.031 2.369 1.00 0.00 H new ATOM 526 N SER A 40 -3.506 0.022 2.127 1.00 0.00 N ATOM 527 CA SER A 40 -4.675 0.746 1.670 1.00 0.00 C ATOM 528 C SER A 40 -5.956 -0.046 1.936 1.00 0.00 C ATOM 529 O SER A 40 -5.932 -1.279 2.007 1.00 0.00 O ATOM 530 CB SER A 40 -4.529 1.031 0.182 1.00 0.00 C ATOM 531 OG SER A 40 -3.268 1.625 -0.084 1.00 0.00 O ATOM 0 H SER A 40 -3.120 -0.624 1.439 1.00 0.00 H new ATOM 0 HA SER A 40 -4.748 1.683 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.629 0.105 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.328 1.695 -0.148 1.00 0.00 H new ATOM 0 HG SER A 40 -2.951 1.339 -0.966 1.00 0.00 H new ATOM 537 N GLN A 41 -7.078 0.667 2.053 1.00 0.00 N ATOM 538 CA GLN A 41 -8.371 0.037 2.342 1.00 0.00 C ATOM 539 C GLN A 41 -8.866 -0.839 1.205 1.00 0.00 C ATOM 540 O GLN A 41 -9.815 -1.567 1.373 1.00 0.00 O ATOM 541 CB GLN A 41 -9.451 1.061 2.709 1.00 0.00 C ATOM 542 CG GLN A 41 -9.826 2.019 1.592 1.00 0.00 C ATOM 543 CD GLN A 41 -11.109 2.768 1.898 1.00 0.00 C ATOM 544 OE1 GLN A 41 -11.439 3.006 3.056 1.00 0.00 O ATOM 545 NE2 GLN A 41 -11.843 3.133 0.867 1.00 0.00 N ATOM 0 H GLN A 41 -7.119 1.681 1.952 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.188 -0.600 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.346 0.526 3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.106 1.641 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.017 2.733 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.943 1.464 0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.534 2.917 -0.081 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.720 3.632 1.016 1.00 0.00 H new ATOM 554 N GLN A 42 -8.244 -0.742 0.045 1.00 0.00 N ATOM 555 CA GLN A 42 -8.648 -1.557 -1.098 1.00 0.00 C ATOM 556 C GLN A 42 -8.664 -3.043 -0.733 1.00 0.00 C ATOM 557 O GLN A 42 -9.587 -3.770 -1.084 1.00 0.00 O ATOM 558 CB GLN A 42 -7.715 -1.316 -2.282 1.00 0.00 C ATOM 559 CG GLN A 42 -7.766 0.102 -2.821 1.00 0.00 C ATOM 560 CD GLN A 42 -9.127 0.469 -3.385 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.851 -0.379 -3.882 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.476 1.743 -3.315 1.00 0.00 N ATOM 0 H GLN A 42 -7.462 -0.113 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.659 -1.263 -1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.693 -1.544 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.972 -2.009 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.509 0.799 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.012 0.217 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.844 2.423 -2.892 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.377 2.046 -3.684 1.00 0.00 H new ATOM 571 N ILE A 43 -7.646 -3.477 -0.007 1.00 0.00 N ATOM 572 CA ILE A 43 -7.543 -4.872 0.401 1.00 0.00 C ATOM 573 C ILE A 43 -8.347 -5.152 1.683 1.00 0.00 C ATOM 574 O ILE A 43 -8.857 -6.248 1.875 1.00 0.00 O ATOM 575 CB ILE A 43 -6.053 -5.305 0.585 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.350 -4.471 1.662 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.303 -5.195 -0.730 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.458 -5.051 3.062 1.00 0.00 C ATOM 0 H ILE A 43 -6.879 -2.885 0.312 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.975 -5.469 -0.402 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.052 -6.345 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.296 -4.373 1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.773 -3.466 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.267 -5.500 -0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.771 -5.843 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.332 -4.163 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.935 -4.403 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.508 -5.123 3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.008 -6.044 3.080 1.00 0.00 H new ATOM 590 N ALA A 44 -8.448 -4.149 2.543 1.00 0.00 N ATOM 591 CA ALA A 44 -9.124 -4.298 3.830 1.00 0.00 C ATOM 592 C ALA A 44 -10.633 -4.128 3.716 1.00 0.00 C ATOM 593 O ALA A 44 -11.392 -4.943 4.228 1.00 0.00 O ATOM 594 CB ALA A 44 -8.560 -3.309 4.830 1.00 0.00 C ATOM 0 H ALA A 44 -8.069 -3.217 2.374 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.941 -5.315 4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.070 -3.427 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.494 -3.493 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.710 -2.294 4.462 1.00 0.00 H new ATOM 600 N SER A 45 -11.043 -3.033 3.071 1.00 0.00 N ATOM 601 CA SER A 45 -12.453 -2.668 2.866 1.00 0.00 C ATOM 602 C SER A 45 -13.068 -2.053 4.125 1.00 0.00 C ATOM 603 O SER A 45 -14.096 -1.385 4.060 1.00 0.00 O ATOM 604 CB SER A 45 -13.284 -3.857 2.373 1.00 0.00 C ATOM 605 OG SER A 45 -12.740 -4.391 1.173 1.00 0.00 O ATOM 0 H SER A 45 -10.393 -2.359 2.667 1.00 0.00 H new ATOM 0 HA SER A 45 -12.471 -1.908 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.311 -4.630 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.313 -3.541 2.202 1.00 0.00 H new ATOM 0 HG SER A 45 -13.284 -5.150 0.876 1.00 0.00 H new ATOM 611 N SER A 46 -12.430 -2.284 5.259 1.00 0.00 N ATOM 612 CA SER A 46 -12.929 -1.828 6.536 1.00 0.00 C ATOM 613 C SER A 46 -12.820 -0.294 6.725 1.00 0.00 C ATOM 614 O SER A 46 -13.630 0.469 6.191 1.00 0.00 O ATOM 615 CB SER A 46 -12.214 -2.575 7.661 1.00 0.00 C ATOM 616 OG SER A 46 -10.798 -2.449 7.540 1.00 0.00 O ATOM 0 H SER A 46 -11.549 -2.795 5.316 1.00 0.00 H new ATOM 0 HA SER A 46 -13.995 -2.052 6.567 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.536 -2.182 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.492 -3.629 7.637 1.00 0.00 H new ATOM 0 HG SER A 46 -10.415 -2.212 8.410 1.00 0.00 H new ATOM 622 N VAL A 47 -11.808 0.145 7.470 1.00 0.00 N ATOM 623 CA VAL A 47 -11.650 1.570 7.807 1.00 0.00 C ATOM 624 C VAL A 47 -10.232 2.073 7.556 1.00 0.00 C ATOM 625 O VAL A 47 -10.010 3.275 7.412 1.00 0.00 O ATOM 626 CB VAL A 47 -12.035 1.856 9.284 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.527 1.647 9.499 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.229 0.975 10.237 1.00 0.00 C ATOM 0 H VAL A 47 -11.082 -0.460 7.855 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.330 2.107 7.146 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.797 2.898 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.777 1.852 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -14.086 2.323 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.788 0.616 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.516 1.194 11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.429 -0.074 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.166 1.176 10.107 1.00 0.00 H new ATOM 638 N VAL A 48 -9.279 1.161 7.528 1.00 0.00 N ATOM 639 CA VAL A 48 -7.885 1.519 7.325 1.00 0.00 C ATOM 640 C VAL A 48 -7.617 1.979 5.875 1.00 0.00 C ATOM 641 O VAL A 48 -7.329 1.176 4.996 1.00 0.00 O ATOM 642 CB VAL A 48 -6.933 0.348 7.734 1.00 0.00 C ATOM 643 CG1 VAL A 48 -7.357 -0.962 7.092 1.00 0.00 C ATOM 644 CG2 VAL A 48 -5.485 0.667 7.396 1.00 0.00 C ATOM 0 H VAL A 48 -9.444 0.161 7.644 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.671 2.365 7.977 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.010 0.233 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.674 -1.755 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.369 -1.212 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.333 -0.860 6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.850 -0.167 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.390 0.831 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.176 1.566 7.930 1.00 0.00 H new ATOM 654 N GLN A 49 -7.768 3.281 5.641 1.00 0.00 N ATOM 655 CA GLN A 49 -7.521 3.860 4.320 1.00 0.00 C ATOM 656 C GLN A 49 -6.025 4.006 4.076 1.00 0.00 C ATOM 657 O GLN A 49 -5.476 3.426 3.142 1.00 0.00 O ATOM 658 CB GLN A 49 -8.195 5.229 4.190 1.00 0.00 C ATOM 659 CG GLN A 49 -9.688 5.225 4.473 1.00 0.00 C ATOM 660 CD GLN A 49 -10.320 6.582 4.242 1.00 0.00 C ATOM 661 OE1 GLN A 49 -9.859 7.360 3.412 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.386 6.867 4.959 1.00 0.00 N ATOM 0 H GLN A 49 -8.060 3.956 6.348 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.944 3.187 3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.710 5.925 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.030 5.607 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.174 4.487 3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.859 4.918 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.738 6.193 5.639 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.860 7.762 4.835 1.00 0.00 H new ATOM 671 N ARG A 50 -5.382 4.803 4.917 1.00 0.00 N ATOM 672 CA ARG A 50 -3.944 5.015 4.844 1.00 0.00 C ATOM 673 C ARG A 50 -3.289 4.540 6.145 1.00 0.00 C ATOM 674 O ARG A 50 -2.070 4.588 6.295 1.00 0.00 O ATOM 675 CB ARG A 50 -3.635 6.514 4.596 1.00 0.00 C ATOM 676 CG ARG A 50 -2.146 6.854 4.594 1.00 0.00 C ATOM 677 CD ARG A 50 -1.889 8.349 4.475 1.00 0.00 C ATOM 678 NE ARG A 50 -0.490 8.692 4.793 1.00 0.00 N ATOM 679 CZ ARG A 50 0.078 9.888 4.545 1.00 0.00 C ATOM 680 NH1 ARG A 50 -0.597 10.822 3.887 1.00 0.00 N ATOM 681 NH2 ARG A 50 1.331 10.130 4.933 1.00 0.00 N ATOM 0 H ARG A 50 -5.841 5.320 5.667 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.538 4.440 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.065 6.808 3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.131 7.108 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.691 6.482 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.660 6.338 3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.123 8.678 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.557 8.887 5.148 1.00 0.00 H new ATOM 0 HE ARG A 50 0.087 7.974 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.548 10.635 3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.165 11.727 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.863 9.408 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.757 11.037 4.743 1.00 0.00 H new ATOM 695 N ALA A 51 -4.128 4.082 7.079 1.00 0.00 N ATOM 696 CA ALA A 51 -3.693 3.616 8.409 1.00 0.00 C ATOM 697 C ALA A 51 -3.203 4.766 9.288 1.00 0.00 C ATOM 698 O ALA A 51 -3.768 5.017 10.336 1.00 0.00 O ATOM 699 CB ALA A 51 -2.623 2.522 8.303 1.00 0.00 C ATOM 0 H ALA A 51 -5.136 4.022 6.937 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.571 3.185 8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.327 2.204 9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.027 1.670 7.756 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.753 2.913 7.775 1.00 0.00 H new ATOM 705 N ALA A 52 -2.165 5.464 8.816 1.00 0.00 N ATOM 706 CA ALA A 52 -1.505 6.560 9.546 1.00 0.00 C ATOM 707 C ALA A 52 -2.483 7.520 10.238 1.00 0.00 C ATOM 708 O ALA A 52 -2.753 7.376 11.430 1.00 0.00 O ATOM 709 CB ALA A 52 -0.590 7.330 8.610 1.00 0.00 C ATOM 0 H ALA A 52 -1.751 5.283 7.902 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.924 6.093 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.106 8.139 9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.169 6.658 8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.175 7.747 7.790 1.00 0.00 H new ATOM 715 N GLN A 53 -2.995 8.510 9.490 1.00 0.00 N ATOM 716 CA GLN A 53 -3.908 9.513 10.059 1.00 0.00 C ATOM 717 C GLN A 53 -4.322 10.551 9.015 1.00 0.00 C ATOM 718 O GLN A 53 -5.484 10.887 8.908 1.00 0.00 O ATOM 719 CB GLN A 53 -3.253 10.209 11.271 1.00 0.00 C ATOM 720 CG GLN A 53 -1.900 10.847 10.966 1.00 0.00 C ATOM 721 CD GLN A 53 -0.988 10.928 12.177 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.062 9.935 13.047 1.00 0.00 O flip ATOM 723 NE2 GLN A 53 -0.196 11.860 12.305 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.794 8.637 8.498 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.807 8.993 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.929 10.978 11.644 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.127 9.480 12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.404 10.273 10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.060 11.851 10.572 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.171 12.607 11.611 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.436 11.886 13.105 1.00 0.00 H new ATOM 732 N SER A 54 -3.351 11.030 8.245 1.00 0.00 N ATOM 733 CA SER A 54 -3.563 12.064 7.227 1.00 0.00 C ATOM 734 C SER A 54 -4.755 11.745 6.308 1.00 0.00 C ATOM 735 O SER A 54 -5.777 12.412 6.356 1.00 0.00 O ATOM 736 CB SER A 54 -2.292 12.210 6.405 1.00 0.00 C ATOM 737 OG SER A 54 -1.149 12.117 7.240 1.00 0.00 O ATOM 0 H SER A 54 -2.384 10.711 8.307 1.00 0.00 H new ATOM 0 HA SER A 54 -3.799 12.999 7.735 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.255 11.435 5.640 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.295 13.169 5.887 1.00 0.00 H new ATOM 0 HG SER A 54 -0.339 12.211 6.697 1.00 0.00 H new ATOM 743 N LEU A 55 -4.606 10.727 5.472 1.00 0.00 N ATOM 744 CA LEU A 55 -5.675 10.324 4.555 1.00 0.00 C ATOM 745 C LEU A 55 -6.638 9.363 5.247 1.00 0.00 C ATOM 746 O LEU A 55 -7.789 9.231 4.859 1.00 0.00 O ATOM 747 CB LEU A 55 -5.080 9.670 3.301 1.00 0.00 C ATOM 748 CG LEU A 55 -6.079 9.254 2.214 1.00 0.00 C ATOM 749 CD1 LEU A 55 -6.798 10.471 1.646 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.369 8.485 1.105 1.00 0.00 C ATOM 0 H LEU A 55 -3.759 10.163 5.406 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.229 11.214 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.364 10.363 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.521 8.786 3.608 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.824 8.600 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.501 10.152 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.339 10.979 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.069 11.154 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.092 8.197 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.601 9.117 0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.906 7.591 1.522 1.00 0.00 H new ATOM 762 N ALA A 56 -6.146 8.703 6.284 1.00 0.00 N ATOM 763 CA ALA A 56 -6.930 7.725 7.022 1.00 0.00 C ATOM 764 C ALA A 56 -8.016 8.381 7.846 1.00 0.00 C ATOM 765 O ALA A 56 -8.960 7.720 8.259 1.00 0.00 O ATOM 766 CB ALA A 56 -6.040 6.884 7.911 1.00 0.00 C ATOM 0 H ALA A 56 -5.197 8.829 6.636 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.411 7.079 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.648 6.160 8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.308 6.358 7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.523 7.528 8.622 1.00 0.00 H new ATOM 772 N SER A 57 -7.851 9.672 8.105 1.00 0.00 N ATOM 773 CA SER A 57 -8.782 10.444 8.909 1.00 0.00 C ATOM 774 C SER A 57 -10.232 10.211 8.473 1.00 0.00 C ATOM 775 O SER A 57 -10.655 10.655 7.403 1.00 0.00 O ATOM 776 CB SER A 57 -8.415 11.931 8.826 1.00 0.00 C ATOM 777 OG SER A 57 -8.416 12.385 7.480 1.00 0.00 O ATOM 0 H SER A 57 -7.060 10.215 7.759 1.00 0.00 H new ATOM 0 HA SER A 57 -8.705 10.112 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.124 12.517 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.431 12.091 9.266 1.00 0.00 H new ATOM 0 HG SER A 57 -7.500 12.381 7.133 1.00 0.00 H new ATOM 783 N THR A 58 -10.974 9.491 9.296 1.00 0.00 N ATOM 784 CA THR A 58 -12.351 9.177 8.995 1.00 0.00 C ATOM 785 C THR A 58 -13.155 8.920 10.283 1.00 0.00 C ATOM 786 O THR A 58 -14.294 9.370 10.418 1.00 0.00 O ATOM 787 CB THR A 58 -12.451 7.952 8.030 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.806 7.754 7.619 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.934 6.671 8.684 1.00 0.00 C ATOM 0 H THR A 58 -10.639 9.113 10.182 1.00 0.00 H new ATOM 0 HA THR A 58 -12.784 10.041 8.491 1.00 0.00 H new ATOM 0 HB THR A 58 -11.827 8.172 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.855 6.985 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.021 5.843 7.981 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.889 6.802 8.964 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.524 6.454 9.575 1.00 0.00 H new ATOM 797 N LEU A 59 -12.553 8.191 11.222 1.00 0.00 N ATOM 798 CA LEU A 59 -13.203 7.864 12.486 1.00 0.00 C ATOM 799 C LEU A 59 -12.380 8.351 13.676 1.00 0.00 C ATOM 800 O LEU A 59 -12.563 7.885 14.800 1.00 0.00 O ATOM 801 CB LEU A 59 -13.434 6.348 12.587 1.00 0.00 C ATOM 802 CG LEU A 59 -14.460 5.759 11.617 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.567 4.258 11.807 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.818 6.416 11.806 1.00 0.00 C ATOM 0 H LEU A 59 -11.610 7.814 11.128 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.165 8.375 12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.481 5.844 12.427 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.750 6.116 13.604 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.123 5.958 10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.301 3.854 11.110 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.597 3.797 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.880 4.042 12.828 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.533 5.982 11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.163 6.251 12.827 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.733 7.487 11.621 1.00 0.00 H new ATOM 816 N GLY A 60 -11.483 9.290 13.430 1.00 0.00 N ATOM 817 CA GLY A 60 -10.614 9.773 14.486 1.00 0.00 C ATOM 818 C GLY A 60 -9.387 8.908 14.618 1.00 0.00 C ATOM 819 O GLY A 60 -9.181 8.270 15.643 1.00 0.00 O ATOM 0 H GLY A 60 -11.339 9.728 12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.317 10.800 14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.157 9.785 15.431 1.00 0.00 H new ATOM 823 N VAL A 61 -8.575 8.891 13.578 1.00 0.00 N ATOM 824 CA VAL A 61 -7.384 8.063 13.537 1.00 0.00 C ATOM 825 C VAL A 61 -6.194 8.817 14.102 1.00 0.00 C ATOM 826 O VAL A 61 -5.748 9.814 13.527 1.00 0.00 O ATOM 827 CB VAL A 61 -7.050 7.628 12.091 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.998 6.531 12.089 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.303 7.186 11.344 1.00 0.00 C ATOM 0 H VAL A 61 -8.722 9.450 12.738 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.586 7.177 14.139 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.641 8.492 11.567 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.778 6.240 11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.089 6.898 12.565 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.372 5.667 12.639 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.036 6.886 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.758 6.343 11.864 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.012 8.012 11.303 1.00 0.00 H new ATOM 839 N ASP A 62 -5.692 8.333 15.228 1.00 0.00 N ATOM 840 CA ASP A 62 -4.555 8.933 15.906 1.00 0.00 C ATOM 841 C ASP A 62 -4.203 8.121 17.144 1.00 0.00 C ATOM 842 O ASP A 62 -4.717 8.373 18.234 1.00 0.00 O ATOM 843 CB ASP A 62 -4.844 10.396 16.298 1.00 0.00 C ATOM 844 CG ASP A 62 -3.634 11.096 16.891 1.00 0.00 C ATOM 845 OD1 ASP A 62 -2.693 11.415 16.132 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.621 11.340 18.114 1.00 0.00 O ATOM 0 H ASP A 62 -6.065 7.508 15.699 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.710 8.930 15.218 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.180 10.944 15.417 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.661 10.420 17.019 1.00 0.00 H new ATOM 851 N GLY A 63 -3.393 7.097 16.953 1.00 0.00 N ATOM 852 CA GLY A 63 -2.936 6.285 18.066 1.00 0.00 C ATOM 853 C GLY A 63 -3.888 5.153 18.438 1.00 0.00 C ATOM 854 O GLY A 63 -3.509 3.981 18.389 1.00 0.00 O ATOM 0 H GLY A 63 -3.039 6.808 16.041 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.963 5.861 17.818 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.792 6.926 18.936 1.00 0.00 H new ATOM 858 N ASN A 64 -5.125 5.502 18.779 1.00 0.00 N ATOM 859 CA ASN A 64 -6.112 4.519 19.265 1.00 0.00 C ATOM 860 C ASN A 64 -6.413 3.460 18.217 1.00 0.00 C ATOM 861 O ASN A 64 -5.920 2.334 18.297 1.00 0.00 O ATOM 862 CB ASN A 64 -7.415 5.209 19.688 1.00 0.00 C ATOM 863 CG ASN A 64 -7.205 6.299 20.718 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.307 6.217 21.555 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.018 7.337 20.650 1.00 0.00 N ATOM 0 H ASN A 64 -5.477 6.458 18.731 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.670 4.029 20.133 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.894 5.637 18.808 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.099 4.463 20.092 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.914 8.110 21.307 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.750 7.366 19.940 1.00 0.00 H new ATOM 872 N ASN A 65 -7.200 3.825 17.221 1.00 0.00 N ATOM 873 CA ASN A 65 -7.561 2.885 16.162 1.00 0.00 C ATOM 874 C ASN A 65 -6.499 2.862 15.074 1.00 0.00 C ATOM 875 O ASN A 65 -6.746 2.425 13.951 1.00 0.00 O ATOM 876 CB ASN A 65 -8.942 3.197 15.577 1.00 0.00 C ATOM 877 CG ASN A 65 -9.051 4.597 15.035 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.722 4.771 13.779 1.00 0.00 O flip ATOM 879 ND2 ASN A 65 -9.429 5.516 15.751 1.00 0.00 N flip ATOM 0 H ASN A 65 -7.601 4.757 17.118 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.614 1.891 16.607 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.161 2.487 14.780 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.698 3.053 16.349 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.676 5.336 16.724 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.497 6.461 15.374 1.00 0.00 H new ATOM 886 N LEU A 66 -5.324 3.349 15.420 1.00 0.00 N ATOM 887 CA LEU A 66 -4.177 3.308 14.543 1.00 0.00 C ATOM 888 C LEU A 66 -3.454 1.983 14.739 1.00 0.00 C ATOM 889 O LEU A 66 -3.266 1.215 13.797 1.00 0.00 O ATOM 890 CB LEU A 66 -3.246 4.490 14.850 1.00 0.00 C ATOM 891 CG LEU A 66 -1.848 4.454 14.217 1.00 0.00 C ATOM 892 CD1 LEU A 66 -1.934 4.334 12.708 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.067 5.700 14.605 1.00 0.00 C ATOM 0 H LEU A 66 -5.140 3.786 16.323 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.496 3.388 13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.742 5.405 14.527 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.127 4.557 15.931 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.325 3.575 14.594 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.929 4.311 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.459 3.415 12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.476 5.189 12.305 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.077 5.665 14.151 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.596 6.585 14.253 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.967 5.744 15.690 1.00 0.00 H new ATOM 905 N ALA A 67 -3.075 1.717 15.982 1.00 0.00 N ATOM 906 CA ALA A 67 -2.406 0.478 16.329 1.00 0.00 C ATOM 907 C ALA A 67 -3.413 -0.653 16.415 1.00 0.00 C ATOM 908 O ALA A 67 -3.136 -1.789 16.026 1.00 0.00 O ATOM 909 CB ALA A 67 -1.678 0.632 17.651 1.00 0.00 C ATOM 0 H ALA A 67 -3.222 2.349 16.769 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.679 0.241 15.553 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.179 -0.304 17.903 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.937 1.427 17.568 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.394 0.883 18.434 1.00 0.00 H new ATOM 915 N ARG A 68 -4.592 -0.337 16.925 1.00 0.00 N ATOM 916 CA ARG A 68 -5.649 -1.316 17.054 1.00 0.00 C ATOM 917 C ARG A 68 -6.667 -1.077 15.975 1.00 0.00 C ATOM 918 O ARG A 68 -6.590 -0.083 15.277 1.00 0.00 O ATOM 919 CB ARG A 68 -6.335 -1.213 18.416 1.00 0.00 C ATOM 920 CG ARG A 68 -5.389 -1.109 19.587 1.00 0.00 C ATOM 921 CD ARG A 68 -4.402 -2.260 19.629 1.00 0.00 C ATOM 922 NE ARG A 68 -3.466 -2.117 20.737 1.00 0.00 N ATOM 923 CZ ARG A 68 -2.299 -2.746 20.830 1.00 0.00 C ATOM 924 NH1 ARG A 68 -1.919 -3.594 19.887 1.00 0.00 N ATOM 925 NH2 ARG A 68 -1.514 -2.525 21.874 1.00 0.00 N ATOM 0 H ARG A 68 -4.838 0.596 17.257 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.213 -2.311 16.962 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.988 -0.341 18.414 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.971 -2.087 18.555 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.844 -0.167 19.529 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.962 -1.089 20.514 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.942 -3.202 19.726 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.852 -2.304 18.689 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.726 -1.488 21.497 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.523 -3.767 19.084 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.022 -4.074 19.964 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.806 -1.874 22.603 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.618 -3.006 21.949 1.00 0.00 H new ATOM 939 N PHE A 69 -7.626 -1.981 15.864 1.00 0.00 N ATOM 940 CA PHE A 69 -8.712 -1.897 14.864 1.00 0.00 C ATOM 941 C PHE A 69 -8.202 -1.962 13.415 1.00 0.00 C ATOM 942 O PHE A 69 -8.529 -2.887 12.693 1.00 0.00 O ATOM 943 CB PHE A 69 -9.573 -0.644 15.088 1.00 0.00 C ATOM 944 CG PHE A 69 -10.303 -0.650 16.402 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.539 -1.264 16.518 1.00 0.00 C ATOM 946 CD2 PHE A 69 -9.751 -0.049 17.522 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.209 -1.280 17.725 1.00 0.00 C ATOM 948 CE2 PHE A 69 -10.415 -0.064 18.732 1.00 0.00 C ATOM 949 CZ PHE A 69 -11.646 -0.679 18.833 1.00 0.00 C ATOM 0 H PHE A 69 -7.686 -2.805 16.463 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.335 -2.779 15.012 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.936 0.239 15.038 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.298 -0.560 14.278 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.984 -1.736 15.654 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.789 0.437 17.447 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.172 -1.762 17.802 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.972 0.405 19.598 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.169 -0.690 19.778 1.00 0.00 H new ATOM 959 N ALA A 70 -7.392 -0.991 13.012 1.00 0.00 N ATOM 960 CA ALA A 70 -6.859 -0.937 11.655 1.00 0.00 C ATOM 961 C ALA A 70 -6.006 -2.165 11.357 1.00 0.00 C ATOM 962 O ALA A 70 -6.303 -2.935 10.438 1.00 0.00 O ATOM 963 CB ALA A 70 -6.047 0.334 11.463 1.00 0.00 C ATOM 0 H ALA A 70 -7.087 -0.224 13.611 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.695 -0.930 10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.654 0.364 10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.684 1.202 11.632 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.220 0.348 12.173 1.00 0.00 H new ATOM 969 N VAL A 71 -4.955 -2.347 12.145 1.00 0.00 N ATOM 970 CA VAL A 71 -4.067 -3.492 11.990 1.00 0.00 C ATOM 971 C VAL A 71 -4.816 -4.783 12.285 1.00 0.00 C ATOM 972 O VAL A 71 -4.675 -5.771 11.573 1.00 0.00 O ATOM 973 CB VAL A 71 -2.837 -3.384 12.926 1.00 0.00 C ATOM 974 CG1 VAL A 71 -1.892 -4.564 12.723 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.104 -2.067 12.699 1.00 0.00 C ATOM 0 H VAL A 71 -4.696 -1.714 12.901 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.716 -3.500 10.958 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.193 -3.408 13.956 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.037 -4.464 13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.418 -5.493 12.942 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.545 -4.579 11.690 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.243 -2.010 13.366 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.766 -2.012 11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.778 -1.235 12.905 1.00 0.00 H new ATOM 985 N GLN A 72 -5.637 -4.746 13.323 1.00 0.00 N ATOM 986 CA GLN A 72 -6.412 -5.906 13.745 1.00 0.00 C ATOM 987 C GLN A 72 -7.342 -6.396 12.635 1.00 0.00 C ATOM 988 O GLN A 72 -7.437 -7.593 12.388 1.00 0.00 O ATOM 989 CB GLN A 72 -7.205 -5.572 15.008 1.00 0.00 C ATOM 990 CG GLN A 72 -6.326 -5.355 16.232 1.00 0.00 C ATOM 991 CD GLN A 72 -5.729 -6.648 16.750 1.00 0.00 C ATOM 992 OE1 GLN A 72 -6.342 -7.709 16.652 1.00 0.00 O ATOM 993 NE2 GLN A 72 -4.530 -6.572 17.289 1.00 0.00 N ATOM 0 H GLN A 72 -5.786 -3.915 13.896 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.717 -6.716 13.966 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.796 -4.674 14.830 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.907 -6.381 15.212 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.523 -4.662 15.981 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.915 -4.888 17.021 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.055 -5.672 17.351 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.076 -7.414 17.644 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.002 -5.465 11.961 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.926 -5.798 10.885 1.00 0.00 C ATOM 1004 C ALA A 73 -8.241 -6.592 9.786 1.00 0.00 C ATOM 1005 O ALA A 73 -8.750 -7.619 9.347 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.544 -4.535 10.305 1.00 0.00 C ATOM 0 H ALA A 73 -7.914 -4.465 12.142 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.714 -6.420 11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.232 -4.802 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.087 -4.004 11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.757 -3.893 9.910 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.080 -6.120 9.362 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.340 -6.753 8.283 1.00 0.00 C ATOM 1014 C VAL A 74 -5.608 -8.011 8.760 1.00 0.00 C ATOM 1015 O VAL A 74 -5.592 -9.032 8.070 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.324 -5.770 7.654 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.612 -6.407 6.469 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.018 -4.483 7.235 1.00 0.00 C ATOM 0 H VAL A 74 -6.627 -5.294 9.753 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.070 -7.044 7.528 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.574 -5.529 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.903 -5.696 6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.078 -7.297 6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.344 -6.685 5.711 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.289 -3.803 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.792 -4.709 6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.471 -4.013 8.108 1.00 0.00 H new ATOM 1028 N SER A 75 -5.022 -7.936 9.942 1.00 0.00 N ATOM 1029 CA SER A 75 -4.256 -9.044 10.497 1.00 0.00 C ATOM 1030 C SER A 75 -5.160 -10.248 10.807 1.00 0.00 C ATOM 1031 O SER A 75 -4.702 -11.386 10.826 1.00 0.00 O ATOM 1032 CB SER A 75 -3.515 -8.585 11.763 1.00 0.00 C ATOM 1033 OG SER A 75 -2.578 -9.558 12.207 1.00 0.00 O ATOM 0 H SER A 75 -5.061 -7.112 10.543 1.00 0.00 H new ATOM 0 HA SER A 75 -3.526 -9.363 9.753 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.998 -7.647 11.562 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.237 -8.387 12.555 1.00 0.00 H new ATOM 0 HG SER A 75 -2.125 -9.232 13.012 1.00 0.00 H new ATOM 1039 N ARG A 76 -6.437 -9.982 11.038 1.00 0.00 N ATOM 1040 CA ARG A 76 -7.403 -11.034 11.352 1.00 0.00 C ATOM 1041 C ARG A 76 -8.343 -11.281 10.187 1.00 0.00 C ATOM 1042 O ARG A 76 -9.327 -12.008 10.316 1.00 0.00 O ATOM 1043 CB ARG A 76 -8.213 -10.648 12.579 1.00 0.00 C ATOM 1044 CG ARG A 76 -7.437 -10.703 13.872 1.00 0.00 C ATOM 1045 CD ARG A 76 -7.888 -9.612 14.817 1.00 0.00 C ATOM 1046 NE ARG A 76 -9.337 -9.611 15.033 1.00 0.00 N ATOM 1047 CZ ARG A 76 -9.942 -8.949 16.020 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -9.217 -8.284 16.919 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -11.265 -8.953 16.109 1.00 0.00 N ATOM 0 H ARG A 76 -6.834 -9.043 11.015 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.847 -11.950 11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.600 -9.638 12.443 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.074 -11.312 12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.574 -11.677 14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.372 -10.595 13.667 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.383 -9.735 15.775 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.584 -8.644 14.419 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.918 -10.149 14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.199 -8.281 16.852 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.680 -7.778 17.674 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.821 -9.463 15.422 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.727 -8.446 16.864 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.040 -10.680 9.053 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.884 -10.811 7.885 1.00 0.00 C ATOM 1065 C LEU A 77 -8.541 -12.090 7.125 1.00 0.00 C ATOM 1066 O LEU A 77 -7.428 -12.229 6.600 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.723 -9.589 6.976 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.867 -9.327 5.999 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -11.159 -9.049 6.756 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -9.525 -8.161 5.084 1.00 0.00 C ATOM 0 H LEU A 77 -7.215 -10.096 8.917 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.923 -10.869 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.599 -8.707 7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.802 -9.705 6.404 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.011 -10.217 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.965 -8.864 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.411 -9.911 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.027 -8.173 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.350 -7.986 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.357 -7.266 5.683 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.622 -8.394 4.519 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.047 -10.142 -0.640 1.00 0.00 N ATOM 1172 CA TYR A 86 -2.981 -8.946 0.182 1.00 0.00 C ATOM 1173 C TYR A 86 -1.797 -8.079 -0.217 1.00 0.00 C ATOM 1174 O TYR A 86 -1.131 -8.334 -1.224 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.878 -9.318 1.668 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.184 -9.759 2.273 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -4.681 -11.033 2.052 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.921 -8.893 3.062 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -5.880 -11.430 2.601 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -6.119 -9.279 3.618 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.597 -10.552 3.383 1.00 0.00 C ATOM 1182 OH TYR A 86 -7.799 -10.946 3.924 1.00 0.00 O ATOM 0 HA TYR A 86 -3.898 -8.378 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.146 -10.117 1.784 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.502 -8.459 2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.120 -11.725 1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.549 -7.896 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.256 -12.426 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.680 -8.591 4.233 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.642 -11.377 4.790 1.00 0.00 H new ATOM 1192 N ALA A 87 -1.521 -7.072 0.586 1.00 0.00 N ATOM 1193 CA ALA A 87 -0.423 -6.164 0.324 1.00 0.00 C ATOM 1194 C ALA A 87 0.905 -6.789 0.731 1.00 0.00 C ATOM 1195 O ALA A 87 1.704 -6.167 1.416 1.00 0.00 O ATOM 1196 CB ALA A 87 -0.645 -4.853 1.057 1.00 0.00 C ATOM 0 H ALA A 87 -2.048 -6.861 1.434 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.386 -5.964 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.186 -4.177 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.575 -4.398 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.706 -5.041 2.129 1.00 0.00 H new ATOM 1202 N GLN A 88 1.101 -8.035 0.330 1.00 0.00 N ATOM 1203 CA GLN A 88 2.331 -8.748 0.584 1.00 0.00 C ATOM 1204 C GLN A 88 3.284 -8.552 -0.585 1.00 0.00 C ATOM 1205 O GLN A 88 4.345 -7.954 -0.454 1.00 0.00 O ATOM 1206 CB GLN A 88 2.030 -10.238 0.749 1.00 0.00 C ATOM 1207 CG GLN A 88 1.171 -10.567 1.956 1.00 0.00 C ATOM 1208 CD GLN A 88 1.924 -10.426 3.255 1.00 0.00 C ATOM 1209 OE1 GLN A 88 3.133 -10.630 3.306 1.00 0.00 O ATOM 1210 NE2 GLN A 88 1.218 -10.082 4.313 1.00 0.00 N ATOM 0 H GLN A 88 0.405 -8.577 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 88 2.791 -8.365 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.528 -10.598 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.972 -10.781 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.302 -9.909 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.797 -11.587 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.214 -9.922 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.675 -9.976 5.219 1.00 0.00 H new ATOM 1219 N ALA A 89 2.866 -9.028 -1.745 1.00 0.00 N ATOM 1220 CA ALA A 89 3.665 -8.910 -2.947 1.00 0.00 C ATOM 1221 C ALA A 89 3.407 -7.580 -3.630 1.00 0.00 C ATOM 1222 O ALA A 89 4.308 -6.979 -4.206 1.00 0.00 O ATOM 1223 CB ALA A 89 3.371 -10.066 -3.893 1.00 0.00 C ATOM 0 H ALA A 89 1.973 -9.502 -1.878 1.00 0.00 H new ATOM 0 HA ALA A 89 4.718 -8.951 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.979 -9.964 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.608 -11.009 -3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.316 -10.054 -4.165 1.00 0.00 H new ATOM 1229 N PHE A 90 2.168 -7.107 -3.526 1.00 0.00 N ATOM 1230 CA PHE A 90 1.748 -5.860 -4.166 1.00 0.00 C ATOM 1231 C PHE A 90 2.325 -4.631 -3.467 1.00 0.00 C ATOM 1232 O PHE A 90 2.046 -3.501 -3.863 1.00 0.00 O ATOM 1233 CB PHE A 90 0.216 -5.761 -4.194 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.460 -6.802 -5.043 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.653 -6.589 -6.400 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.911 -7.987 -4.486 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.280 -7.539 -7.183 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.541 -8.940 -5.263 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.723 -8.716 -6.614 1.00 0.00 C ATOM 0 H PHE A 90 1.429 -7.573 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 90 2.135 -5.880 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.160 -5.842 -3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.065 -4.773 -4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.309 -5.669 -6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.768 -8.168 -3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.423 -7.361 -8.239 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.891 -9.858 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.211 -9.461 -7.224 1.00 0.00 H new ATOM 1249 N SER A 91 3.136 -4.858 -2.447 1.00 0.00 N ATOM 1250 CA SER A 91 3.720 -3.787 -1.659 1.00 0.00 C ATOM 1251 C SER A 91 4.419 -2.730 -2.518 1.00 0.00 C ATOM 1252 O SER A 91 4.164 -1.546 -2.357 1.00 0.00 O ATOM 1253 CB SER A 91 4.682 -4.361 -0.632 1.00 0.00 C ATOM 1254 OG SER A 91 4.007 -5.247 0.229 1.00 0.00 O ATOM 0 H SER A 91 3.408 -5.793 -2.142 1.00 0.00 H new ATOM 0 HA SER A 91 2.901 -3.281 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.495 -4.883 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.132 -3.554 -0.054 1.00 0.00 H new ATOM 0 HG SER A 91 4.150 -6.169 -0.072 1.00 0.00 H new ATOM 1260 N SER A 92 5.274 -3.156 -3.440 1.00 0.00 N ATOM 1261 CA SER A 92 6.021 -2.205 -4.278 1.00 0.00 C ATOM 1262 C SER A 92 5.104 -1.284 -5.089 1.00 0.00 C ATOM 1263 O SER A 92 5.385 -0.092 -5.227 1.00 0.00 O ATOM 1264 CB SER A 92 6.971 -2.929 -5.226 1.00 0.00 C ATOM 1265 OG SER A 92 7.866 -3.768 -4.525 1.00 0.00 O ATOM 0 H SER A 92 5.471 -4.138 -3.631 1.00 0.00 H new ATOM 0 HA SER A 92 6.595 -1.587 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.395 -3.523 -5.936 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.535 -2.198 -5.805 1.00 0.00 H new ATOM 0 HG SER A 92 7.773 -4.688 -4.848 1.00 0.00 H new ATOM 1271 N ALA A 93 4.019 -1.830 -5.613 1.00 0.00 N ATOM 1272 CA ALA A 93 3.117 -1.058 -6.460 1.00 0.00 C ATOM 1273 C ALA A 93 2.154 -0.214 -5.639 1.00 0.00 C ATOM 1274 O ALA A 93 1.707 0.828 -6.086 1.00 0.00 O ATOM 1275 CB ALA A 93 2.348 -1.978 -7.395 1.00 0.00 C ATOM 0 H ALA A 93 3.740 -2.800 -5.469 1.00 0.00 H new ATOM 0 HA ALA A 93 3.728 -0.378 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.680 -1.386 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.049 -2.522 -8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.763 -2.687 -6.808 1.00 0.00 H new ATOM 1281 N LEU A 94 1.828 -0.685 -4.446 1.00 0.00 N ATOM 1282 CA LEU A 94 0.908 0.024 -3.568 1.00 0.00 C ATOM 1283 C LEU A 94 1.621 1.095 -2.754 1.00 0.00 C ATOM 1284 O LEU A 94 1.028 2.096 -2.376 1.00 0.00 O ATOM 1285 CB LEU A 94 0.216 -0.954 -2.630 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.613 -2.041 -3.293 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.183 -2.981 -2.249 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.721 -1.425 -4.122 1.00 0.00 C ATOM 0 H LEU A 94 2.188 -1.559 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 94 0.166 0.514 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.975 -1.431 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.432 -0.388 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 94 0.032 -2.617 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.774 -3.754 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.368 -3.445 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.817 -2.420 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.307 -2.215 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.367 -0.827 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.287 -0.788 -4.893 1.00 0.00 H new ATOM 1300 N PHE A 95 2.872 0.843 -2.438 1.00 0.00 N ATOM 1301 CA PHE A 95 3.667 1.773 -1.658 1.00 0.00 C ATOM 1302 C PHE A 95 4.326 2.811 -2.560 1.00 0.00 C ATOM 1303 O PHE A 95 4.533 3.952 -2.154 1.00 0.00 O ATOM 1304 CB PHE A 95 4.722 1.004 -0.850 1.00 0.00 C ATOM 1305 CG PHE A 95 5.555 1.850 0.066 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.016 2.378 1.227 1.00 0.00 C ATOM 1307 CD2 PHE A 95 6.882 2.106 -0.229 1.00 0.00 C ATOM 1308 CE1 PHE A 95 5.783 3.149 2.076 1.00 0.00 C ATOM 1309 CE2 PHE A 95 7.656 2.878 0.615 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.106 3.400 1.770 1.00 0.00 C ATOM 0 H PHE A 95 3.367 -0.006 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 95 3.011 2.302 -0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.219 0.240 -0.258 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.384 0.486 -1.544 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.982 2.184 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.317 1.698 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.350 3.555 2.978 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.690 3.073 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.710 4.003 2.432 1.00 0.00 H new ATOM 1320 N ASN A 96 4.638 2.397 -3.792 1.00 0.00 N ATOM 1321 CA ASN A 96 5.320 3.249 -4.769 1.00 0.00 C ATOM 1322 C ASN A 96 6.598 3.827 -4.182 1.00 0.00 C ATOM 1323 O ASN A 96 6.705 5.025 -3.937 1.00 0.00 O ATOM 1324 CB ASN A 96 4.405 4.369 -5.307 1.00 0.00 C ATOM 1325 CG ASN A 96 3.216 3.835 -6.087 1.00 0.00 C ATOM 1326 OD1 ASN A 96 2.149 3.625 -5.537 1.00 0.00 O ATOM 1327 ND2 ASN A 96 3.400 3.613 -7.380 1.00 0.00 N ATOM 0 H ASN A 96 4.425 1.462 -4.139 1.00 0.00 H new ATOM 0 HA ASN A 96 5.583 2.617 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.045 4.970 -4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 96 4.987 5.030 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.634 3.254 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.308 3.801 -7.806 1.00 0.00 H new ATOM 1334 N ALA A 97 7.575 2.951 -3.961 1.00 0.00 N ATOM 1335 CA ALA A 97 8.856 3.334 -3.363 1.00 0.00 C ATOM 1336 C ALA A 97 9.704 4.194 -4.310 1.00 0.00 C ATOM 1337 O ALA A 97 10.831 4.562 -3.982 1.00 0.00 O ATOM 1338 CB ALA A 97 9.629 2.094 -2.947 1.00 0.00 C ATOM 0 H ALA A 97 7.504 1.959 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 97 8.637 3.940 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.580 2.390 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.048 1.531 -2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.815 1.471 -3.822 1.00 0.00 H new ATOM 1344 N GLY A 98 9.167 4.480 -5.491 1.00 0.00 N ATOM 1345 CA GLY A 98 9.867 5.313 -6.459 1.00 0.00 C ATOM 1346 C GLY A 98 10.879 4.541 -7.275 1.00 0.00 C ATOM 1347 O GLY A 98 11.366 5.023 -8.291 1.00 0.00 O ATOM 0 H GLY A 98 8.253 4.148 -5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.140 5.771 -7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.373 6.124 -5.935 1.00 0.00 H new ATOM 1351 N VAL A 99 11.187 3.338 -6.832 1.00 0.00 N ATOM 1352 CA VAL A 99 12.147 2.489 -7.519 1.00 0.00 C ATOM 1353 C VAL A 99 11.548 1.959 -8.826 1.00 0.00 C ATOM 1354 O VAL A 99 12.267 1.549 -9.737 1.00 0.00 O ATOM 1355 CB VAL A 99 12.580 1.305 -6.619 1.00 0.00 C ATOM 1356 CG1 VAL A 99 13.725 0.522 -7.246 1.00 0.00 C ATOM 1357 CG2 VAL A 99 12.963 1.802 -5.232 1.00 0.00 C ATOM 0 H VAL A 99 10.784 2.922 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 99 13.027 3.090 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 99 11.730 0.629 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.005 -0.302 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.409 0.126 -8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 99 14.582 1.181 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 99 13.265 0.957 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.791 2.506 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.108 2.300 -4.775 1.00 0.00 H new ATOM 1367 N LEU A 100 10.226 2.003 -8.914 1.00 0.00 N ATOM 1368 CA LEU A 100 9.524 1.531 -10.093 1.00 0.00 C ATOM 1369 C LEU A 100 9.442 2.612 -11.155 1.00 0.00 C ATOM 1370 O LEU A 100 9.511 3.806 -10.851 1.00 0.00 O ATOM 1371 CB LEU A 100 8.114 1.013 -9.741 1.00 0.00 C ATOM 1372 CG LEU A 100 7.376 1.721 -8.597 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.000 3.149 -8.970 1.00 0.00 C ATOM 1374 CD2 LEU A 100 6.147 0.924 -8.213 1.00 0.00 C ATOM 0 H LEU A 100 9.618 2.363 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 100 10.099 0.698 -10.498 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.495 1.081 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.195 -0.044 -9.489 1.00 0.00 H new ATOM 0 HG LEU A 100 8.047 1.779 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.479 3.618 -8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.903 3.715 -9.198 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.348 3.137 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.625 1.429 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.484 0.841 -9.074 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.446 -0.072 -7.888 1.00 0.00 H new ATOM 1386 N ASN A 101 9.289 2.188 -12.390 1.00 0.00 N ATOM 1387 CA ASN A 101 9.202 3.095 -13.523 1.00 0.00 C ATOM 1388 C ASN A 101 7.887 3.866 -13.511 1.00 0.00 C ATOM 1389 O ASN A 101 6.810 3.285 -13.340 1.00 0.00 O ATOM 1390 CB ASN A 101 9.371 2.335 -14.858 1.00 0.00 C ATOM 1391 CG ASN A 101 8.474 1.100 -14.986 1.00 0.00 C ATOM 1392 OD1 ASN A 101 8.230 0.380 -14.014 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.977 0.851 -16.180 1.00 0.00 N ATOM 0 H ASN A 101 9.221 1.202 -12.642 1.00 0.00 H new ATOM 0 HA ASN A 101 10.018 3.812 -13.433 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.156 3.015 -15.682 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.412 2.028 -14.961 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.371 0.043 -16.322 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.198 1.466 -16.963 1.00 0.00 H new ATOM 1400 N ALA A 102 7.982 5.176 -13.693 1.00 0.00 N ATOM 1401 CA ALA A 102 6.813 6.044 -13.704 1.00 0.00 C ATOM 1402 C ALA A 102 5.939 5.764 -14.914 1.00 0.00 C ATOM 1403 O ALA A 102 4.734 6.011 -14.892 1.00 0.00 O ATOM 1404 CB ALA A 102 7.238 7.501 -13.694 1.00 0.00 C ATOM 0 H ALA A 102 8.866 5.664 -13.836 1.00 0.00 H new ATOM 0 HA ALA A 102 6.231 5.838 -12.806 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.354 8.138 -13.702 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.822 7.703 -12.796 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.844 7.709 -14.576 1.00 0.00 H new ATOM 1410 N SER A 103 6.547 5.211 -15.953 1.00 0.00 N ATOM 1411 CA SER A 103 5.848 4.911 -17.182 1.00 0.00 C ATOM 1412 C SER A 103 4.824 3.833 -16.931 1.00 0.00 C ATOM 1413 O SER A 103 3.753 3.823 -17.517 1.00 0.00 O ATOM 1414 CB SER A 103 6.846 4.465 -18.247 1.00 0.00 C ATOM 1415 OG SER A 103 7.708 3.455 -17.738 1.00 0.00 O ATOM 0 H SER A 103 7.536 4.960 -15.963 1.00 0.00 H new ATOM 0 HA SER A 103 5.336 5.805 -17.538 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.311 4.088 -19.118 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.436 5.319 -18.580 1.00 0.00 H new ATOM 0 HG SER A 103 8.339 3.181 -18.436 1.00 0.00 H new ATOM 1421 N ASN A 104 5.164 2.945 -16.028 1.00 0.00 N ATOM 1422 CA ASN A 104 4.306 1.853 -15.642 1.00 0.00 C ATOM 1423 C ASN A 104 3.030 2.390 -15.001 1.00 0.00 C ATOM 1424 O ASN A 104 1.913 1.997 -15.361 1.00 0.00 O ATOM 1425 CB ASN A 104 5.065 0.974 -14.662 1.00 0.00 C ATOM 1426 CG ASN A 104 4.242 -0.148 -14.083 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.344 -0.673 -14.723 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.559 -0.524 -12.866 1.00 0.00 N ATOM 0 H ASN A 104 6.057 2.962 -15.535 1.00 0.00 H new ATOM 0 HA ASN A 104 4.022 1.270 -16.518 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.934 0.551 -15.166 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.440 1.594 -13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.047 -1.284 -12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.317 -0.056 -12.369 1.00 0.00 H new ATOM 1435 N ILE A 105 3.204 3.315 -14.076 1.00 0.00 N ATOM 1436 CA ILE A 105 2.088 3.923 -13.374 1.00 0.00 C ATOM 1437 C ILE A 105 1.280 4.807 -14.326 1.00 0.00 C ATOM 1438 O ILE A 105 0.049 4.833 -14.276 1.00 0.00 O ATOM 1439 CB ILE A 105 2.574 4.732 -12.116 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.924 3.783 -10.950 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.537 5.757 -11.662 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.059 2.818 -11.233 1.00 0.00 C ATOM 0 H ILE A 105 4.118 3.665 -13.790 1.00 0.00 H new ATOM 0 HA ILE A 105 1.438 3.126 -13.012 1.00 0.00 H new ATOM 0 HB ILE A 105 3.472 5.272 -12.414 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.185 4.383 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.035 3.209 -10.688 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.913 6.293 -10.791 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.347 6.464 -12.469 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.610 5.246 -11.401 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.232 2.193 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.797 2.187 -12.083 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.965 3.379 -11.463 1.00 0.00 H new ATOM 1454 N ASP A 106 1.978 5.491 -15.208 1.00 0.00 N ATOM 1455 CA ASP A 106 1.349 6.346 -16.215 1.00 0.00 C ATOM 1456 C ASP A 106 0.547 5.519 -17.225 1.00 0.00 C ATOM 1457 O ASP A 106 -0.498 5.948 -17.701 1.00 0.00 O ATOM 1458 CB ASP A 106 2.425 7.160 -16.946 1.00 0.00 C ATOM 1459 CG ASP A 106 1.917 7.826 -18.213 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.379 8.949 -18.128 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.080 7.237 -19.306 1.00 0.00 O ATOM 0 H ASP A 106 2.997 5.476 -15.254 1.00 0.00 H new ATOM 0 HA ASP A 106 0.659 7.020 -15.707 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.813 7.924 -16.272 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.259 6.504 -17.198 1.00 0.00 H new ATOM 1466 N THR A 107 1.028 4.328 -17.518 1.00 0.00 N ATOM 1467 CA THR A 107 0.412 3.487 -18.531 1.00 0.00 C ATOM 1468 C THR A 107 -0.745 2.652 -17.987 1.00 0.00 C ATOM 1469 O THR A 107 -1.871 2.756 -18.465 1.00 0.00 O ATOM 1470 CB THR A 107 1.453 2.555 -19.182 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.508 3.340 -19.746 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.819 1.693 -20.269 1.00 0.00 C ATOM 0 H THR A 107 1.846 3.917 -17.069 1.00 0.00 H new ATOM 0 HA THR A 107 0.007 4.167 -19.280 1.00 0.00 H new ATOM 0 HB THR A 107 1.851 1.894 -18.412 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.059 3.713 -19.026 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.578 1.046 -20.709 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.029 1.081 -19.834 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.396 2.335 -21.042 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.477 1.831 -16.998 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.497 0.929 -16.498 1.00 0.00 C ATOM 1482 C LEU A 108 -1.872 1.213 -15.052 1.00 0.00 C ATOM 1483 O LEU A 108 -2.994 0.937 -14.638 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.051 -0.526 -16.694 1.00 0.00 C ATOM 1485 CG LEU A 108 0.325 -0.888 -16.133 1.00 0.00 C ATOM 1486 CD1 LEU A 108 0.230 -1.320 -14.676 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.974 -1.968 -16.980 1.00 0.00 C ATOM 0 H LEU A 108 0.425 1.766 -16.527 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.404 1.098 -17.079 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.792 -1.178 -16.232 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.055 -0.746 -17.762 1.00 0.00 H new ATOM 0 HG LEU A 108 0.953 0.002 -16.171 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.224 -1.571 -14.305 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.184 -0.506 -14.081 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.418 -2.193 -14.597 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.953 -2.215 -16.568 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.345 -2.858 -16.979 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.091 -1.608 -18.002 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.948 1.780 -14.295 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.211 2.064 -12.899 1.00 0.00 C ATOM 1501 C GLY A 109 -2.411 2.977 -12.695 1.00 0.00 C ATOM 1502 O GLY A 109 -3.390 2.597 -12.059 1.00 0.00 O ATOM 0 H GLY A 109 -0.020 2.049 -14.621 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.380 1.127 -12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.329 2.527 -12.456 1.00 0.00 H new ATOM 1506 N SER A 110 -2.344 4.168 -13.248 1.00 0.00 N ATOM 1507 CA SER A 110 -3.410 5.135 -13.094 1.00 0.00 C ATOM 1508 C SER A 110 -4.607 4.803 -13.999 1.00 0.00 C ATOM 1509 O SER A 110 -5.676 5.390 -13.859 1.00 0.00 O ATOM 1510 CB SER A 110 -2.888 6.546 -13.391 1.00 0.00 C ATOM 1511 OG SER A 110 -3.872 7.533 -13.107 1.00 0.00 O ATOM 0 H SER A 110 -1.558 4.492 -13.812 1.00 0.00 H new ATOM 0 HA SER A 110 -3.756 5.093 -12.061 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.995 6.738 -12.796 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.594 6.614 -14.438 1.00 0.00 H new ATOM 0 HG SER A 110 -4.763 7.169 -13.290 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.421 3.868 -14.921 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.497 3.471 -15.834 1.00 0.00 C ATOM 1519 C ARG A 111 -6.361 2.372 -15.228 1.00 0.00 C ATOM 1520 O ARG A 111 -7.585 2.451 -15.247 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.936 3.012 -17.184 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.697 4.134 -18.197 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.743 5.191 -17.672 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.338 6.132 -18.716 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.465 7.458 -18.636 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -4.077 8.009 -17.593 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.996 8.230 -19.609 1.00 0.00 N ATOM 0 H ARG A 111 -3.542 3.370 -15.060 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.121 4.349 -15.997 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.994 2.491 -17.012 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.625 2.289 -17.620 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.295 3.710 -19.117 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.649 4.601 -18.450 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.219 5.737 -16.857 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.859 4.707 -17.257 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.929 5.747 -19.567 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -4.451 7.418 -16.851 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -4.172 9.023 -17.535 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.539 7.810 -20.418 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.093 9.243 -19.548 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.717 1.340 -14.713 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.423 0.220 -14.112 1.00 0.00 C ATOM 1543 C VAL A 112 -6.772 0.510 -12.649 1.00 0.00 C ATOM 1544 O VAL A 112 -7.942 0.487 -12.264 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.591 -1.085 -14.203 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.367 -2.265 -13.632 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.189 -1.361 -15.647 1.00 0.00 C ATOM 0 H VAL A 112 -4.701 1.253 -14.699 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.347 0.083 -14.674 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.687 -0.953 -13.609 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.762 -3.169 -13.707 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.604 -2.073 -12.585 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.291 -2.399 -14.194 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.606 -2.281 -15.693 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.084 -1.468 -16.260 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.589 -0.532 -16.023 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.750 0.800 -11.848 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.935 1.075 -10.423 1.00 0.00 C ATOM 1559 C LEU A 113 -6.596 2.435 -10.228 1.00 0.00 C ATOM 1560 O LEU A 113 -7.489 2.594 -9.390 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.587 1.030 -9.667 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.893 -0.347 -9.557 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.433 -0.855 -10.916 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.712 -0.269 -8.600 1.00 0.00 C ATOM 0 H LEU A 113 -4.781 0.851 -12.162 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.583 0.300 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.899 1.718 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.751 1.409 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.625 -1.054 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.950 -1.825 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.294 -0.957 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.725 -0.148 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.233 -1.246 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.993 0.463 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.063 0.032 -7.613 1.00 0.00 H new ATOM 1576 N SER A 114 -6.127 3.407 -10.999 1.00 0.00 N ATOM 1577 CA SER A 114 -6.679 4.760 -11.011 1.00 0.00 C ATOM 1578 C SER A 114 -6.707 5.428 -9.624 1.00 0.00 C ATOM 1579 O SER A 114 -5.669 5.873 -9.121 1.00 0.00 O ATOM 1580 CB SER A 114 -8.076 4.757 -11.640 1.00 0.00 C ATOM 1581 OG SER A 114 -8.028 4.293 -12.977 1.00 0.00 O ATOM 0 H SER A 114 -5.345 3.280 -11.641 1.00 0.00 H new ATOM 0 HA SER A 114 -6.005 5.363 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.741 4.122 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.492 5.764 -11.615 1.00 0.00 H new ATOM 0 HG SER A 114 -7.276 4.715 -13.443 1.00 0.00 H new ATOM 1587 N ALA A 115 -7.895 5.447 -9.003 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.122 6.136 -7.728 1.00 0.00 C ATOM 1589 C ALA A 115 -7.164 5.676 -6.641 1.00 0.00 C ATOM 1590 O ALA A 115 -6.741 6.470 -5.801 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.564 5.945 -7.279 1.00 0.00 C ATOM 0 H ALA A 115 -8.725 4.984 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.930 7.196 -7.894 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.721 6.461 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.237 6.356 -8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.768 4.882 -7.152 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.819 4.400 -6.668 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.913 3.838 -5.684 1.00 0.00 C ATOM 1599 C LEU A 116 -4.561 4.539 -5.720 1.00 0.00 C ATOM 1600 O LEU A 116 -4.108 5.071 -4.708 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.749 2.328 -5.904 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.640 1.643 -5.095 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.788 1.927 -3.605 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.654 0.149 -5.352 1.00 0.00 C ATOM 0 H LEU A 116 -7.154 3.733 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.345 3.997 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.696 1.842 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.558 2.155 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.682 2.050 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.988 1.428 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.731 3.002 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.752 1.555 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.863 -0.327 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.619 -0.262 -5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.490 -0.039 -6.413 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.938 4.570 -6.888 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.633 5.190 -7.014 1.00 0.00 C ATOM 1618 C LEU A 117 -2.711 6.690 -6.851 1.00 0.00 C ATOM 1619 O LEU A 117 -1.765 7.309 -6.390 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.955 4.818 -8.328 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.527 3.356 -8.449 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.713 3.146 -9.706 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.735 2.918 -7.222 1.00 0.00 C ATOM 0 H LEU A 117 -4.312 4.177 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.017 4.800 -6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.635 5.050 -9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.075 5.449 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.426 2.743 -8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.416 2.100 -9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.312 3.413 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.177 3.774 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.442 1.874 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.157 3.537 -7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.353 3.029 -6.331 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.843 7.277 -7.219 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.031 8.714 -7.047 1.00 0.00 C ATOM 1637 C ASN A 118 -3.924 9.072 -5.577 1.00 0.00 C ATOM 1638 O ASN A 118 -3.276 10.055 -5.208 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.385 9.172 -7.605 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.508 8.991 -9.110 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.394 9.066 -9.820 1.00 0.00 O flip ATOM 1642 ND2 ASN A 118 -6.604 8.788 -9.630 1.00 0.00 N flip ATOM 0 H ASN A 118 -4.637 6.788 -7.634 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.249 9.229 -7.605 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.181 8.613 -7.113 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.535 10.223 -7.359 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.442 8.736 -9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.675 8.671 -10.641 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.545 8.254 -4.738 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.468 8.462 -3.312 1.00 0.00 C ATOM 1651 C GLY A 119 -3.079 8.168 -2.783 1.00 0.00 C ATOM 1652 O GLY A 119 -2.561 8.896 -1.933 1.00 0.00 O ATOM 0 H GLY A 119 -5.102 7.449 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.737 9.492 -3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.193 7.821 -2.810 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.463 7.106 -3.300 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.118 6.718 -2.882 1.00 0.00 C ATOM 1658 C VAL A 120 -0.091 7.804 -3.222 1.00 0.00 C ATOM 1659 O VAL A 120 0.827 8.065 -2.433 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.676 5.376 -3.515 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.767 5.065 -3.150 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.589 4.248 -3.059 1.00 0.00 C ATOM 0 H VAL A 120 -2.875 6.499 -4.009 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.159 6.591 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.748 5.467 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.061 4.118 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.415 5.860 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.861 4.993 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.265 3.311 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.544 4.160 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.613 4.463 -3.363 1.00 0.00 H new ATOM 1672 N SER A 121 -0.257 8.439 -4.385 1.00 0.00 N ATOM 1673 CA SER A 121 0.639 9.507 -4.817 1.00 0.00 C ATOM 1674 C SER A 121 0.715 10.626 -3.779 1.00 0.00 C ATOM 1675 O SER A 121 1.754 11.260 -3.611 1.00 0.00 O ATOM 1676 CB SER A 121 0.198 10.064 -6.170 1.00 0.00 C ATOM 1677 OG SER A 121 0.329 9.084 -7.185 1.00 0.00 O ATOM 0 H SER A 121 -1.007 8.229 -5.044 1.00 0.00 H new ATOM 0 HA SER A 121 1.636 9.080 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.838 10.397 -6.111 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.799 10.938 -6.422 1.00 0.00 H new ATOM 0 HG SER A 121 -0.340 8.381 -7.049 1.00 0.00 H new ATOM 1683 N SER A 122 -0.391 10.860 -3.096 1.00 0.00 N ATOM 1684 CA SER A 122 -0.453 11.867 -2.060 1.00 0.00 C ATOM 1685 C SER A 122 0.037 11.291 -0.722 1.00 0.00 C ATOM 1686 O SER A 122 0.699 11.972 0.062 1.00 0.00 O ATOM 1687 CB SER A 122 -1.897 12.379 -1.921 1.00 0.00 C ATOM 1688 OG SER A 122 -1.974 13.504 -1.059 1.00 0.00 O ATOM 0 H SER A 122 -1.266 10.358 -3.245 1.00 0.00 H new ATOM 0 HA SER A 122 0.196 12.698 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.285 12.646 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.531 11.581 -1.535 1.00 0.00 H new ATOM 0 HG SER A 122 -2.905 13.804 -0.995 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.271 10.020 -0.489 1.00 0.00 N ATOM 1695 CA ALA A 123 0.039 9.370 0.774 1.00 0.00 C ATOM 1696 C ALA A 123 1.501 8.915 0.881 1.00 0.00 C ATOM 1697 O ALA A 123 2.343 9.630 1.426 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.908 8.201 1.006 1.00 0.00 C ATOM 0 H ALA A 123 -0.739 9.417 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.103 10.116 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.668 7.721 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.935 8.565 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.800 7.479 0.196 1.00 0.00 H new ATOM 1704 N ALA A 124 1.797 7.732 0.353 1.00 0.00 N ATOM 1705 CA ALA A 124 3.131 7.141 0.479 1.00 0.00 C ATOM 1706 C ALA A 124 4.145 7.858 -0.386 1.00 0.00 C ATOM 1707 O ALA A 124 5.215 8.246 0.085 1.00 0.00 O ATOM 1708 CB ALA A 124 3.087 5.661 0.133 1.00 0.00 C ATOM 0 H ALA A 124 1.132 7.160 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 124 3.447 7.254 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.085 5.235 0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 124 2.405 5.149 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.739 5.537 -0.892 1.00 0.00 H new ATOM 1714 N GLN A 125 3.798 8.048 -1.636 1.00 0.00 N ATOM 1715 CA GLN A 125 4.670 8.707 -2.587 1.00 0.00 C ATOM 1716 C GLN A 125 4.834 10.183 -2.221 1.00 0.00 C ATOM 1717 O GLN A 125 5.871 10.790 -2.487 1.00 0.00 O ATOM 1718 CB GLN A 125 4.067 8.592 -3.981 1.00 0.00 C ATOM 1719 CG GLN A 125 4.958 9.089 -5.102 1.00 0.00 C ATOM 1720 CD GLN A 125 4.213 9.220 -6.415 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.260 8.484 -6.686 1.00 0.00 O ATOM 1722 NE2 GLN A 125 4.629 10.161 -7.231 1.00 0.00 N ATOM 0 H GLN A 125 2.903 7.751 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 125 5.649 8.229 -2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.819 7.547 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.132 9.151 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.378 10.057 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.795 8.403 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 125 5.421 10.749 -6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.160 10.304 -8.126 1.00 0.00 H new ATOM 1731 N GLY A 126 3.813 10.736 -1.585 1.00 0.00 N ATOM 1732 CA GLY A 126 3.815 12.141 -1.254 1.00 0.00 C ATOM 1733 C GLY A 126 4.532 12.475 0.040 1.00 0.00 C ATOM 1734 O GLY A 126 5.531 13.199 0.027 1.00 0.00 O ATOM 0 H GLY A 126 2.978 10.230 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.283 12.694 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.784 12.488 -1.185 1.00 0.00 H new ATOM 1738 N LEU A 127 4.051 11.943 1.158 1.00 0.00 N ATOM 1739 CA LEU A 127 4.608 12.315 2.457 1.00 0.00 C ATOM 1740 C LEU A 127 5.202 11.118 3.168 1.00 0.00 C ATOM 1741 O LEU A 127 5.991 11.266 4.104 1.00 0.00 O ATOM 1742 CB LEU A 127 3.525 12.952 3.338 1.00 0.00 C ATOM 1743 CG LEU A 127 2.805 14.172 2.747 1.00 0.00 C ATOM 1744 CD1 LEU A 127 1.737 14.679 3.707 1.00 0.00 C ATOM 1745 CD2 LEU A 127 3.796 15.284 2.421 1.00 0.00 C ATOM 0 H LEU A 127 3.290 11.265 1.195 1.00 0.00 H new ATOM 0 HA LEU A 127 5.404 13.038 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.779 12.192 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 127 3.981 13.247 4.283 1.00 0.00 H new ATOM 0 HG LEU A 127 2.322 13.863 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.237 15.544 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.006 13.891 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.202 14.966 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 127 3.261 16.137 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.313 15.589 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.524 14.922 1.695 1.00 0.00 H new ATOM 1757 N GLY A 128 4.824 9.941 2.731 1.00 0.00 N ATOM 1758 CA GLY A 128 5.304 8.743 3.358 1.00 0.00 C ATOM 1759 C GLY A 128 4.381 8.287 4.461 1.00 0.00 C ATOM 1760 O GLY A 128 4.105 9.030 5.401 1.00 0.00 O ATOM 0 H GLY A 128 4.188 9.792 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.399 7.954 2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.300 8.918 3.765 1.00 0.00 H new ATOM 1764 N ILE A 129 3.859 7.098 4.322 1.00 0.00 N ATOM 1765 CA ILE A 129 2.990 6.534 5.341 1.00 0.00 C ATOM 1766 C ILE A 129 3.803 5.785 6.393 1.00 0.00 C ATOM 1767 O ILE A 129 4.557 4.869 6.068 1.00 0.00 O ATOM 1768 CB ILE A 129 1.965 5.556 4.750 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.320 6.127 3.488 1.00 0.00 C ATOM 1770 CG2 ILE A 129 0.903 5.253 5.793 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.444 5.134 2.749 1.00 0.00 C ATOM 0 H ILE A 129 4.016 6.494 3.515 1.00 0.00 H new ATOM 0 HA ILE A 129 2.464 7.375 5.792 1.00 0.00 H new ATOM 0 HB ILE A 129 2.479 4.636 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.720 6.996 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.104 6.477 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.173 4.559 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.371 4.806 6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.402 6.177 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.021 5.610 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.043 4.275 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.362 4.802 3.404 1.00 0.00 H new ATOM 1783 N ASN A 130 3.633 6.168 7.646 1.00 0.00 N ATOM 1784 CA ASN A 130 4.330 5.517 8.749 1.00 0.00 C ATOM 1785 C ASN A 130 3.338 5.013 9.784 1.00 0.00 C ATOM 1786 O ASN A 130 2.568 5.791 10.348 1.00 0.00 O ATOM 1787 CB ASN A 130 5.324 6.479 9.419 1.00 0.00 C ATOM 1788 CG ASN A 130 6.538 6.786 8.558 1.00 0.00 C ATOM 1789 OD1 ASN A 130 7.008 5.942 7.789 1.00 0.00 O ATOM 1790 ND2 ASN A 130 7.058 7.992 8.685 1.00 0.00 N ATOM 0 H ASN A 130 3.016 6.929 7.929 1.00 0.00 H new ATOM 0 HA ASN A 130 4.882 4.672 8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 130 4.812 7.411 9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.657 6.047 10.363 1.00 0.00 H new ATOM 0 HD21 ASN A 130 7.877 8.254 8.137 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.641 8.662 9.331 1.00 0.00 H new ATOM 1797 N VAL A 131 3.349 3.713 10.019 1.00 0.00 N ATOM 1798 CA VAL A 131 2.478 3.112 11.013 1.00 0.00 C ATOM 1799 C VAL A 131 3.252 2.936 12.324 1.00 0.00 C ATOM 1800 O VAL A 131 4.488 2.889 12.316 1.00 0.00 O ATOM 1801 CB VAL A 131 1.920 1.742 10.529 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.870 1.198 11.493 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.335 1.871 9.131 1.00 0.00 C ATOM 0 H VAL A 131 3.954 3.051 9.533 1.00 0.00 H new ATOM 0 HA VAL A 131 1.627 3.774 11.173 1.00 0.00 H new ATOM 0 HB VAL A 131 2.750 1.035 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.501 0.240 11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.316 1.061 12.478 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.042 1.903 11.565 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.949 0.904 8.807 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.525 2.600 9.141 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.111 2.201 8.441 1.00 0.00 H new ATOM 1813 N ASP A 132 2.532 2.847 13.434 1.00 0.00 N ATOM 1814 CA ASP A 132 3.142 2.739 14.761 1.00 0.00 C ATOM 1815 C ASP A 132 3.915 1.423 14.938 1.00 0.00 C ATOM 1816 O ASP A 132 3.892 0.535 14.066 1.00 0.00 O ATOM 1817 CB ASP A 132 2.066 2.881 15.853 1.00 0.00 C ATOM 1818 CG ASP A 132 1.555 1.549 16.372 1.00 0.00 C ATOM 1819 OD1 ASP A 132 1.071 0.735 15.567 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.649 1.319 17.601 1.00 0.00 O ATOM 0 H ASP A 132 1.512 2.847 13.445 1.00 0.00 H new ATOM 0 HA ASP A 132 3.862 3.551 14.857 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.476 3.453 16.685 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.228 3.453 15.455 1.00 0.00 H new ATOM 1825 N SER A 133 4.592 1.303 16.072 1.00 0.00 N ATOM 1826 CA SER A 133 5.387 0.129 16.390 1.00 0.00 C ATOM 1827 C SER A 133 4.523 -1.020 16.913 1.00 0.00 C ATOM 1828 O SER A 133 4.957 -1.795 17.769 1.00 0.00 O ATOM 1829 CB SER A 133 6.456 0.491 17.411 1.00 0.00 C ATOM 1830 OG SER A 133 7.168 1.653 17.006 1.00 0.00 O ATOM 0 H SER A 133 4.604 2.020 16.798 1.00 0.00 H new ATOM 0 HA SER A 133 5.862 -0.213 15.470 1.00 0.00 H new ATOM 0 HB2 SER A 133 5.994 0.663 18.383 1.00 0.00 H new ATOM 0 HB3 SER A 133 7.149 -0.342 17.530 1.00 0.00 H new ATOM 0 HG SER A 133 7.849 1.870 17.677 1.00 0.00 H new ATOM 1836 N GLY A 134 3.306 -1.123 16.413 1.00 0.00 N ATOM 1837 CA GLY A 134 2.465 -2.225 16.779 1.00 0.00 C ATOM 1838 C GLY A 134 2.946 -3.491 16.123 1.00 0.00 C ATOM 1839 O GLY A 134 3.783 -4.208 16.671 1.00 0.00 O ATOM 0 H GLY A 134 2.889 -0.460 15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.464 -2.346 17.862 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.437 -2.021 16.481 1.00 0.00 H new ATOM 1843 N SER A 135 2.426 -3.773 14.956 1.00 0.00 N ATOM 1844 CA SER A 135 2.864 -4.930 14.200 1.00 0.00 C ATOM 1845 C SER A 135 3.716 -4.507 13.001 1.00 0.00 C ATOM 1846 O SER A 135 4.488 -5.293 12.473 1.00 0.00 O ATOM 1847 CB SER A 135 1.660 -5.726 13.703 1.00 0.00 C ATOM 1848 OG SER A 135 0.744 -5.996 14.753 1.00 0.00 O ATOM 0 H SER A 135 1.698 -3.220 14.504 1.00 0.00 H new ATOM 0 HA SER A 135 3.466 -5.553 14.862 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.156 -5.169 12.913 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.999 -6.665 13.265 1.00 0.00 H new ATOM 0 HG SER A 135 -0.016 -6.505 14.401 1.00 0.00 H new ATOM 1854 N VAL A 136 3.566 -3.256 12.583 1.00 0.00 N ATOM 1855 CA VAL A 136 4.207 -2.789 11.360 1.00 0.00 C ATOM 1856 C VAL A 136 5.640 -2.270 11.552 1.00 0.00 C ATOM 1857 O VAL A 136 6.588 -2.868 11.041 1.00 0.00 O ATOM 1858 CB VAL A 136 3.361 -1.698 10.675 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.004 -1.258 9.370 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.944 -2.197 10.433 1.00 0.00 C ATOM 0 H VAL A 136 3.011 -2.551 13.068 1.00 0.00 H new ATOM 0 HA VAL A 136 4.275 -3.673 10.727 1.00 0.00 H new ATOM 0 HB VAL A 136 3.314 -0.834 11.338 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.390 -0.488 8.904 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.998 -0.858 9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.086 -2.113 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.360 -1.414 9.949 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.973 -3.078 9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.482 -2.457 11.385 1.00 0.00 H new ATOM 1870 N GLN A 137 5.802 -1.174 12.306 1.00 0.00 N ATOM 1871 CA GLN A 137 7.106 -0.520 12.419 1.00 0.00 C ATOM 1872 C GLN A 137 8.165 -1.436 13.025 1.00 0.00 C ATOM 1873 O GLN A 137 9.303 -1.446 12.575 1.00 0.00 O ATOM 1874 CB GLN A 137 7.010 0.777 13.219 1.00 0.00 C ATOM 1875 CG GLN A 137 8.181 1.719 12.989 1.00 0.00 C ATOM 1876 CD GLN A 137 8.207 2.301 11.583 1.00 0.00 C ATOM 1877 OE1 GLN A 137 7.037 2.568 11.026 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 9.274 2.541 11.014 1.00 0.00 N flip ATOM 0 H GLN A 137 5.055 -0.729 12.839 1.00 0.00 H new ATOM 0 HA GLN A 137 7.419 -0.282 11.403 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.085 1.289 12.956 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.950 0.536 14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.133 2.533 13.713 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.113 1.184 13.172 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.158 2.322 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 137 9.273 2.959 10.083 1.00 0.00 H new ATOM 1887 N SER A 138 7.780 -2.210 14.023 1.00 0.00 N ATOM 1888 CA SER A 138 8.709 -3.103 14.707 1.00 0.00 C ATOM 1889 C SER A 138 9.326 -4.128 13.744 1.00 0.00 C ATOM 1890 O SER A 138 10.539 -4.372 13.765 1.00 0.00 O ATOM 1891 CB SER A 138 7.985 -3.813 15.842 1.00 0.00 C ATOM 1892 OG SER A 138 7.272 -2.878 16.631 1.00 0.00 O ATOM 0 H SER A 138 6.826 -2.241 14.382 1.00 0.00 H new ATOM 0 HA SER A 138 9.526 -2.503 15.109 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.298 -4.555 15.436 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.704 -4.349 16.462 1.00 0.00 H new ATOM 0 HG SER A 138 6.319 -3.106 16.626 1.00 0.00 H new ATOM 1898 N ASP A 139 8.498 -4.709 12.892 1.00 0.00 N ATOM 1899 CA ASP A 139 8.965 -5.708 11.947 1.00 0.00 C ATOM 1900 C ASP A 139 9.770 -5.086 10.825 1.00 0.00 C ATOM 1901 O ASP A 139 10.874 -5.545 10.514 1.00 0.00 O ATOM 1902 CB ASP A 139 7.795 -6.505 11.377 1.00 0.00 C ATOM 1903 CG ASP A 139 7.254 -7.511 12.361 1.00 0.00 C ATOM 1904 OD1 ASP A 139 6.604 -7.106 13.341 1.00 0.00 O ATOM 1905 OD2 ASP A 139 7.495 -8.722 12.171 1.00 0.00 O ATOM 0 H ASP A 139 7.500 -4.506 12.836 1.00 0.00 H new ATOM 0 HA ASP A 139 9.620 -6.387 12.493 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.999 -5.820 11.087 1.00 0.00 H new ATOM 0 HB3 ASP A 139 8.117 -7.021 10.473 1.00 0.00 H new ATOM 1910 N ILE A 140 9.238 -4.028 10.229 1.00 0.00 N ATOM 1911 CA ILE A 140 9.903 -3.395 9.103 1.00 0.00 C ATOM 1912 C ILE A 140 11.248 -2.789 9.495 1.00 0.00 C ATOM 1913 O ILE A 140 12.179 -2.837 8.721 1.00 0.00 O ATOM 1914 CB ILE A 140 9.028 -2.322 8.407 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.702 -1.177 9.364 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.750 -2.954 7.865 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.971 -0.023 8.715 1.00 0.00 C ATOM 0 H ILE A 140 8.357 -3.595 10.504 1.00 0.00 H new ATOM 0 HA ILE A 140 10.077 -4.198 8.387 1.00 0.00 H new ATOM 0 HB ILE A 140 9.592 -1.908 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.096 -1.563 10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.629 -0.807 9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.144 -2.190 7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.005 -3.729 7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.186 -3.396 8.686 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.776 0.749 9.459 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.584 0.392 7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.026 -0.377 8.303 1.00 0.00 H new ATOM 1929 N SER A 141 11.351 -2.252 10.707 1.00 0.00 N ATOM 1930 CA SER A 141 12.596 -1.632 11.162 1.00 0.00 C ATOM 1931 C SER A 141 13.717 -2.658 11.282 1.00 0.00 C ATOM 1932 O SER A 141 14.878 -2.366 10.991 1.00 0.00 O ATOM 1933 CB SER A 141 12.386 -0.915 12.498 1.00 0.00 C ATOM 1934 OG SER A 141 11.769 -1.772 13.441 1.00 0.00 O ATOM 0 H SER A 141 10.594 -2.232 11.390 1.00 0.00 H new ATOM 0 HA SER A 141 12.891 -0.897 10.413 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.345 -0.572 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.768 -0.030 12.347 1.00 0.00 H new ATOM 0 HG SER A 141 10.798 -1.646 13.411 1.00 0.00 H new ATOM 1940 N SER A 142 13.364 -3.858 11.692 1.00 0.00 N ATOM 1941 CA SER A 142 14.335 -4.919 11.844 1.00 0.00 C ATOM 1942 C SER A 142 14.752 -5.467 10.478 1.00 0.00 C ATOM 1943 O SER A 142 15.931 -5.720 10.226 1.00 0.00 O ATOM 1944 CB SER A 142 13.747 -6.040 12.706 1.00 0.00 C ATOM 1945 OG SER A 142 13.269 -5.535 13.950 1.00 0.00 O ATOM 0 H SER A 142 12.407 -4.123 11.927 1.00 0.00 H new ATOM 0 HA SER A 142 15.220 -4.516 12.336 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.932 -6.525 12.170 1.00 0.00 H new ATOM 0 HB3 SER A 142 14.507 -6.800 12.887 1.00 0.00 H new ATOM 0 HG SER A 142 12.370 -5.164 13.829 1.00 0.00 H new ATOM 1951 N SER A 143 13.782 -5.610 9.593 1.00 0.00 N ATOM 1952 CA SER A 143 14.013 -6.186 8.282 1.00 0.00 C ATOM 1953 C SER A 143 14.562 -5.159 7.275 1.00 0.00 C ATOM 1954 O SER A 143 15.148 -5.534 6.262 1.00 0.00 O ATOM 1955 CB SER A 143 12.721 -6.804 7.765 1.00 0.00 C ATOM 1956 OG SER A 143 12.930 -7.499 6.551 1.00 0.00 O ATOM 0 H SER A 143 12.816 -5.331 9.762 1.00 0.00 H new ATOM 0 HA SER A 143 14.776 -6.957 8.387 1.00 0.00 H new ATOM 0 HB2 SER A 143 12.319 -7.488 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.977 -6.022 7.615 1.00 0.00 H new ATOM 0 HG SER A 143 12.199 -8.136 6.409 1.00 0.00 H new ATOM 1962 N SER A 144 14.365 -3.875 7.554 1.00 0.00 N ATOM 1963 CA SER A 144 14.837 -2.806 6.672 1.00 0.00 C ATOM 1964 C SER A 144 16.358 -2.785 6.579 1.00 0.00 C ATOM 1965 O SER A 144 16.913 -2.137 5.707 1.00 0.00 O ATOM 1966 CB SER A 144 14.297 -1.440 7.105 1.00 0.00 C ATOM 1967 OG SER A 144 14.681 -1.123 8.432 1.00 0.00 O ATOM 0 H SER A 144 13.879 -3.545 8.388 1.00 0.00 H new ATOM 0 HA SER A 144 14.447 -3.018 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.665 -0.671 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.210 -1.438 7.030 1.00 0.00 H new ATOM 0 HG SER A 144 14.711 -1.943 8.968 1.00 0.00 H new