USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=31 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 28 THR OG1 : rot -112:sc= 1.24 USER MOD Set 1.2: A 144 SER OG : rot 69:sc= 2.27 USER MOD Set 2.1: A 96 ASN : amide:sc= -1.33 K(o=-0.33,f=-4.5!) USER MOD Set 2.2: A 125 GLN : amide:sc= 0.997 K(o=-0.33,f=-3.5!) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.64! X(o=-0.91!,f=-1.2) USER MOD Set 3.2: A 92 SER OG : rot 157:sc= 0.724 USER MOD Set 4.1: A 64 ASN : amide:sc= -0.056 X(o=-1.1,f=-0.82) USER MOD Set 4.2: A 65 ASN : amide:sc= -1.02 X(o=-1.1,f=-0.82) USER MOD Set 5.1: A 41 GLN : amide:sc= 0.0148 K(o=0.86,f=-2.2!) USER MOD Set 5.2: A 49 GLN : amide:sc= 0.847 K(o=0.86,f=-2.3) USER MOD Set 6.1: A 29 SER OG : rot 50:sc= 0.774 USER MOD Set 6.2: A 143 SER OG : rot -13:sc= 0.531 USER MOD Set 7.1: A 14 SER OG : rot -9:sc= 0.644 USER MOD Set 7.2: A 104 ASN : amide:sc= -0.332 K(o=0.31,f=-0.57!) USER MOD Single : A 19 SER OG : rot -21:sc= 0.08 USER MOD Single : A 27 ASN : amide:sc= 0.42 X(o=0.42,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 40 SER OG : rot 120:sc= 0.824 USER MOD Single : A 42 GLN : amide:sc=-0.00743 X(o=-0.0074,f=-0.47) USER MOD Single : A 45 SER OG : rot 0:sc= 1.16 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.07 F(o=-3.7!,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 120:sc= -0.353 USER MOD Single : A 88 GLN : amide:sc= -2.04! C(o=-2!,f=-3.1!) USER MOD Single : A 91 SER OG : rot 96:sc= 0.688 USER MOD Single : A 101 ASN : amide:sc= 0.392 K(o=0.39,f=-5.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 89:sc= 0.257 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 74:sc= 0.51 USER MOD Single : A 118 ASN : amide:sc= -1.34 K(o=-1.3,f=-1.9!) USER MOD Single : A 121 SER OG : rot 70:sc= 1.3 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 133 SER OG : rot 100:sc= -0.6 USER MOD Single : A 135 SER OG : rot -13:sc= 0.713 USER MOD Single : A 137 GLN : amide:sc= -0.871! X(o=-0.87!,f=-0.44) USER MOD Single : A 138 SER OG : rot 140:sc= 1.27 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -82:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.166 -5.602 -11.902 1.00 0.00 N ATOM 124 CA GLY A 12 -2.311 -6.146 -13.246 1.00 0.00 C ATOM 125 C GLY A 12 -0.990 -6.584 -13.856 1.00 0.00 C ATOM 126 O GLY A 12 -0.388 -7.560 -13.408 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.991 -6.998 -13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.770 -5.394 -13.888 1.00 0.00 H new ATOM 130 N ALA A 13 -0.524 -5.841 -14.863 1.00 0.00 N ATOM 131 CA ALA A 13 0.738 -6.153 -15.549 1.00 0.00 C ATOM 132 C ALA A 13 1.932 -6.059 -14.601 1.00 0.00 C ATOM 133 O ALA A 13 3.011 -6.584 -14.890 1.00 0.00 O ATOM 134 CB ALA A 13 0.943 -5.235 -16.751 1.00 0.00 C ATOM 0 H ALA A 13 -1.002 -5.016 -15.224 1.00 0.00 H new ATOM 0 HA ALA A 13 0.670 -7.182 -15.902 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.883 -5.484 -17.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.120 -5.366 -17.453 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.973 -4.198 -16.416 1.00 0.00 H new ATOM 140 N SER A 14 1.742 -5.382 -13.475 1.00 0.00 N ATOM 141 CA SER A 14 2.775 -5.279 -12.472 1.00 0.00 C ATOM 142 C SER A 14 3.082 -6.647 -11.858 1.00 0.00 C ATOM 143 O SER A 14 4.164 -6.855 -11.340 1.00 0.00 O ATOM 144 CB SER A 14 2.369 -4.296 -11.374 1.00 0.00 C ATOM 145 OG SER A 14 2.266 -2.976 -11.876 1.00 0.00 O ATOM 0 H SER A 14 0.876 -4.897 -13.240 1.00 0.00 H new ATOM 0 HA SER A 14 3.675 -4.908 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.414 -4.600 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.103 -4.325 -10.568 1.00 0.00 H new ATOM 0 HG SER A 14 2.623 -2.944 -12.788 1.00 0.00 H new ATOM 151 N ALA A 15 2.130 -7.584 -11.958 1.00 0.00 N ATOM 152 CA ALA A 15 2.288 -8.926 -11.378 1.00 0.00 C ATOM 153 C ALA A 15 3.542 -9.631 -11.900 1.00 0.00 C ATOM 154 O ALA A 15 4.079 -10.528 -11.252 1.00 0.00 O ATOM 155 CB ALA A 15 1.055 -9.775 -11.651 1.00 0.00 C ATOM 0 H ALA A 15 1.241 -7.438 -12.436 1.00 0.00 H new ATOM 0 HA ALA A 15 2.404 -8.801 -10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.191 -10.764 -11.214 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.180 -9.299 -11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.910 -9.870 -12.727 1.00 0.00 H new ATOM 161 N GLY A 16 4.000 -9.222 -13.067 1.00 0.00 N ATOM 162 CA GLY A 16 5.185 -9.808 -13.631 1.00 0.00 C ATOM 163 C GLY A 16 6.460 -9.177 -13.096 1.00 0.00 C ATOM 164 O GLY A 16 7.430 -9.871 -12.835 1.00 0.00 O ATOM 0 H GLY A 16 3.569 -8.492 -13.634 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.195 -10.877 -13.416 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.158 -9.701 -14.715 1.00 0.00 H new ATOM 168 N LEU A 17 6.459 -7.855 -12.967 1.00 0.00 N ATOM 169 CA LEU A 17 7.638 -7.109 -12.496 1.00 0.00 C ATOM 170 C LEU A 17 7.736 -6.953 -10.958 1.00 0.00 C ATOM 171 O LEU A 17 8.807 -6.674 -10.449 1.00 0.00 O ATOM 172 CB LEU A 17 7.748 -5.742 -13.201 1.00 0.00 C ATOM 173 CG LEU A 17 6.469 -4.883 -13.245 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.195 -4.213 -11.910 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.557 -3.848 -14.353 1.00 0.00 C ATOM 0 H LEU A 17 5.653 -7.268 -13.182 1.00 0.00 H new ATOM 0 HA LEU A 17 8.493 -7.726 -12.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.529 -5.165 -12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.079 -5.913 -14.225 1.00 0.00 H new ATOM 0 HG LEU A 17 5.634 -5.551 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.285 -3.617 -11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.070 -4.974 -11.140 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.033 -3.567 -11.649 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.645 -3.252 -14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.413 -3.197 -14.176 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.677 -4.351 -15.312 1.00 0.00 H new ATOM 187 N ILE A 18 6.609 -7.102 -10.241 1.00 0.00 N ATOM 188 CA ILE A 18 6.550 -6.861 -8.765 1.00 0.00 C ATOM 189 C ILE A 18 7.729 -7.435 -7.970 1.00 0.00 C ATOM 190 O ILE A 18 8.308 -6.736 -7.139 1.00 0.00 O ATOM 191 CB ILE A 18 5.240 -7.372 -8.123 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.904 -8.783 -8.619 1.00 0.00 C ATOM 193 CG2 ILE A 18 4.093 -6.401 -8.371 1.00 0.00 C ATOM 194 CD1 ILE A 18 3.717 -9.409 -7.918 1.00 0.00 C ATOM 0 H ILE A 18 5.719 -7.388 -10.648 1.00 0.00 H new ATOM 0 HA ILE A 18 6.599 -5.774 -8.699 1.00 0.00 H new ATOM 0 HB ILE A 18 5.389 -7.429 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.703 -8.744 -9.690 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.775 -9.424 -8.482 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.184 -6.786 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.338 -5.431 -7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.935 -6.291 -9.444 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.540 -10.406 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.922 -9.481 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.833 -8.791 -8.077 1.00 0.00 H new ATOM 206 N SER A 19 8.079 -8.684 -8.220 1.00 0.00 N ATOM 207 CA SER A 19 9.152 -9.330 -7.480 1.00 0.00 C ATOM 208 C SER A 19 10.514 -8.790 -7.904 1.00 0.00 C ATOM 209 O SER A 19 11.491 -8.940 -7.184 1.00 0.00 O ATOM 210 CB SER A 19 9.091 -10.862 -7.650 1.00 0.00 C ATOM 211 OG SER A 19 10.097 -11.513 -6.882 1.00 0.00 O ATOM 0 H SER A 19 7.638 -9.271 -8.928 1.00 0.00 H new ATOM 0 HA SER A 19 9.016 -9.100 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.109 -11.224 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.213 -11.117 -8.703 1.00 0.00 H new ATOM 0 HG SER A 19 10.813 -10.877 -6.674 1.00 0.00 H new ATOM 217 N ARG A 20 10.571 -8.188 -9.083 1.00 0.00 N ATOM 218 CA ARG A 20 11.806 -7.612 -9.595 1.00 0.00 C ATOM 219 C ARG A 20 12.012 -6.185 -9.108 1.00 0.00 C ATOM 220 O ARG A 20 13.138 -5.753 -8.918 1.00 0.00 O ATOM 221 CB ARG A 20 11.829 -7.635 -11.121 1.00 0.00 C ATOM 222 CG ARG A 20 11.871 -9.020 -11.714 1.00 0.00 C ATOM 223 CD ARG A 20 12.174 -8.965 -13.194 1.00 0.00 C ATOM 224 NE ARG A 20 12.286 -10.300 -13.769 1.00 0.00 N ATOM 225 CZ ARG A 20 13.289 -10.703 -14.548 1.00 0.00 C ATOM 226 NH1 ARG A 20 14.279 -9.867 -14.861 1.00 0.00 N ATOM 227 NH2 ARG A 20 13.303 -11.943 -15.011 1.00 0.00 N ATOM 0 H ARG A 20 9.771 -8.085 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 20 12.620 -8.227 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.945 -7.118 -11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.697 -7.076 -11.469 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.630 -9.615 -11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.915 -9.518 -11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.387 -8.412 -13.707 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.104 -8.419 -13.356 1.00 0.00 H new ATOM 0 HE ARG A 20 11.546 -10.971 -13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.272 -8.912 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.044 -10.183 -15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.548 -12.586 -14.771 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.069 -12.256 -15.608 1.00 0.00 H new ATOM 241 N VAL A 21 10.915 -5.461 -8.915 1.00 0.00 N ATOM 242 CA VAL A 21 10.962 -4.058 -8.474 1.00 0.00 C ATOM 243 C VAL A 21 11.792 -3.909 -7.172 1.00 0.00 C ATOM 244 O VAL A 21 12.139 -4.900 -6.547 1.00 0.00 O ATOM 245 CB VAL A 21 9.513 -3.495 -8.281 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.512 -2.007 -7.946 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.677 -3.741 -9.524 1.00 0.00 C ATOM 0 H VAL A 21 9.971 -5.820 -9.057 1.00 0.00 H new ATOM 0 HA VAL A 21 11.456 -3.474 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 21 9.076 -4.026 -7.436 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.485 -1.663 -7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.065 -1.842 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.985 -1.451 -8.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.674 -3.343 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.139 -3.244 -10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.618 -4.812 -9.716 1.00 0.00 H new ATOM 257 N ALA A 22 12.083 -2.656 -6.785 1.00 0.00 N ATOM 258 CA ALA A 22 12.910 -2.306 -5.609 1.00 0.00 C ATOM 259 C ALA A 22 12.718 -3.239 -4.392 1.00 0.00 C ATOM 260 O ALA A 22 13.664 -3.482 -3.637 1.00 0.00 O ATOM 261 CB ALA A 22 12.638 -0.864 -5.203 1.00 0.00 C ATOM 0 H ALA A 22 11.744 -1.837 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 22 13.946 -2.435 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.248 -0.609 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.887 -0.200 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.584 -0.750 -4.951 1.00 0.00 H new ATOM 267 N ASN A 23 11.509 -3.762 -4.213 1.00 0.00 N ATOM 268 CA ASN A 23 11.219 -4.663 -3.097 1.00 0.00 C ATOM 269 C ASN A 23 12.080 -5.937 -3.143 1.00 0.00 C ATOM 270 O ASN A 23 12.315 -6.561 -2.121 1.00 0.00 O ATOM 271 CB ASN A 23 9.722 -5.018 -3.035 1.00 0.00 C ATOM 272 CG ASN A 23 8.899 -3.946 -2.336 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.765 -3.945 -1.112 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.323 -3.048 -3.106 1.00 0.00 N ATOM 0 H ASN A 23 10.713 -3.579 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 23 11.479 -4.126 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.343 -5.160 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.598 -5.966 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.742 -2.319 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.457 -3.081 -4.117 1.00 0.00 H new ATOM 281 N ALA A 24 12.550 -6.303 -4.334 1.00 0.00 N ATOM 282 CA ALA A 24 13.398 -7.485 -4.512 1.00 0.00 C ATOM 283 C ALA A 24 14.617 -7.434 -3.602 1.00 0.00 C ATOM 284 O ALA A 24 14.883 -8.373 -2.839 1.00 0.00 O ATOM 285 CB ALA A 24 13.852 -7.592 -5.958 1.00 0.00 C ATOM 0 H ALA A 24 12.357 -5.795 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 24 12.805 -8.361 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.481 -8.474 -6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.981 -7.677 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 24 14.420 -6.702 -6.228 1.00 0.00 H new ATOM 291 N LEU A 25 15.349 -6.332 -3.675 1.00 0.00 N ATOM 292 CA LEU A 25 16.553 -6.166 -2.883 1.00 0.00 C ATOM 293 C LEU A 25 16.199 -5.735 -1.466 1.00 0.00 C ATOM 294 O LEU A 25 16.954 -5.987 -0.519 1.00 0.00 O ATOM 295 CB LEU A 25 17.497 -5.159 -3.545 1.00 0.00 C ATOM 296 CG LEU A 25 18.896 -5.040 -2.930 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.612 -6.384 -2.951 1.00 0.00 C ATOM 298 CD2 LEU A 25 19.712 -3.994 -3.673 1.00 0.00 C ATOM 0 H LEU A 25 15.127 -5.539 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 25 17.070 -7.124 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.606 -5.430 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.025 -4.177 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 25 18.788 -4.727 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.603 -6.275 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.037 -7.111 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.709 -6.728 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 20.703 -3.920 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.807 -4.283 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.211 -3.028 -3.607 1.00 0.00 H new ATOM 310 N ALA A 26 15.048 -5.091 -1.319 1.00 0.00 N ATOM 311 CA ALA A 26 14.562 -4.698 -0.017 1.00 0.00 C ATOM 312 C ALA A 26 14.020 -5.922 0.692 1.00 0.00 C ATOM 313 O ALA A 26 12.863 -6.269 0.557 1.00 0.00 O ATOM 314 CB ALA A 26 13.491 -3.618 -0.132 1.00 0.00 C ATOM 0 H ALA A 26 14.437 -4.832 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 26 15.384 -4.275 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.144 -3.342 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.910 -2.741 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.653 -3.998 -0.716 1.00 0.00 H new ATOM 320 N ASN A 27 14.873 -6.585 1.423 1.00 0.00 N ATOM 321 CA ASN A 27 14.517 -7.835 2.094 1.00 0.00 C ATOM 322 C ASN A 27 13.651 -7.632 3.326 1.00 0.00 C ATOM 323 O ASN A 27 13.519 -8.524 4.163 1.00 0.00 O ATOM 324 CB ASN A 27 15.762 -8.658 2.387 1.00 0.00 C ATOM 325 CG ASN A 27 16.133 -9.523 1.202 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.908 -10.728 1.201 1.00 0.00 O ATOM 327 ND2 ASN A 27 16.642 -8.902 0.155 1.00 0.00 N ATOM 0 H ASN A 27 15.836 -6.287 1.579 1.00 0.00 H new ATOM 0 HA ASN A 27 13.893 -8.402 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.592 -7.994 2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.589 -9.287 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.862 -9.426 -0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.816 -7.898 0.193 1.00 0.00 H new ATOM 334 N THR A 28 13.043 -6.467 3.419 1.00 0.00 N ATOM 335 CA THR A 28 12.118 -6.179 4.472 1.00 0.00 C ATOM 336 C THR A 28 10.873 -7.085 4.323 1.00 0.00 C ATOM 337 O THR A 28 10.491 -7.459 3.209 1.00 0.00 O ATOM 338 CB THR A 28 11.714 -4.684 4.446 1.00 0.00 C ATOM 339 OG1 THR A 28 12.901 -3.869 4.473 1.00 0.00 O ATOM 340 CG2 THR A 28 10.827 -4.334 5.636 1.00 0.00 C ATOM 0 H THR A 28 13.183 -5.700 2.762 1.00 0.00 H new ATOM 0 HA THR A 28 12.592 -6.381 5.432 1.00 0.00 H new ATOM 0 HB THR A 28 11.150 -4.494 3.533 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.947 -3.386 5.324 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.559 -3.278 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.922 -4.940 5.606 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.366 -4.533 6.562 1.00 0.00 H new ATOM 348 N SER A 29 10.271 -7.436 5.443 1.00 0.00 N ATOM 349 CA SER A 29 9.131 -8.348 5.497 1.00 0.00 C ATOM 350 C SER A 29 7.918 -7.881 4.667 1.00 0.00 C ATOM 351 O SER A 29 7.017 -8.673 4.413 1.00 0.00 O ATOM 352 CB SER A 29 8.732 -8.583 6.947 1.00 0.00 C ATOM 353 OG SER A 29 9.807 -9.155 7.683 1.00 0.00 O ATOM 0 H SER A 29 10.561 -7.093 6.359 1.00 0.00 H new ATOM 0 HA SER A 29 9.456 -9.283 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.435 -7.639 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.866 -9.244 6.988 1.00 0.00 H new ATOM 0 HG SER A 29 10.623 -8.635 7.528 1.00 0.00 H new ATOM 359 N THR A 30 7.918 -6.613 4.259 1.00 0.00 N ATOM 360 CA THR A 30 6.813 -5.992 3.501 1.00 0.00 C ATOM 361 C THR A 30 6.337 -6.833 2.297 1.00 0.00 C ATOM 362 O THR A 30 5.156 -6.840 1.964 1.00 0.00 O ATOM 363 CB THR A 30 7.242 -4.606 2.999 1.00 0.00 C ATOM 364 OG1 THR A 30 8.539 -4.699 2.382 1.00 0.00 O ATOM 365 CG2 THR A 30 7.309 -3.621 4.147 1.00 0.00 C ATOM 0 H THR A 30 8.691 -5.973 4.444 1.00 0.00 H new ATOM 0 HA THR A 30 5.974 -5.919 4.193 1.00 0.00 H new ATOM 0 HB THR A 30 6.507 -4.256 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.812 -3.815 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.615 -2.645 3.771 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.327 -3.539 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.033 -3.969 4.883 1.00 0.00 H new ATOM 373 N LEU A 31 7.264 -7.503 1.642 1.00 0.00 N ATOM 374 CA LEU A 31 6.936 -8.344 0.488 1.00 0.00 C ATOM 375 C LEU A 31 7.067 -9.819 0.843 1.00 0.00 C ATOM 376 O LEU A 31 6.567 -10.695 0.131 1.00 0.00 O ATOM 377 CB LEU A 31 7.834 -8.027 -0.719 1.00 0.00 C ATOM 378 CG LEU A 31 9.322 -8.348 -0.550 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.949 -8.722 -1.891 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.061 -7.169 0.067 1.00 0.00 C ATOM 0 H LEU A 31 8.255 -7.487 1.883 1.00 0.00 H new ATOM 0 HA LEU A 31 5.903 -8.126 0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.459 -8.579 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.735 -6.967 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 31 9.409 -9.201 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.006 -8.946 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.444 -9.598 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.845 -7.889 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.116 -7.419 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.961 -6.298 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.636 -6.945 1.046 1.00 0.00 H new ATOM 392 N ARG A 32 7.781 -10.088 1.922 1.00 0.00 N ATOM 393 CA ARG A 32 8.068 -11.454 2.338 1.00 0.00 C ATOM 394 C ARG A 32 6.871 -12.100 2.997 1.00 0.00 C ATOM 395 O ARG A 32 6.489 -13.210 2.632 1.00 0.00 O ATOM 396 CB ARG A 32 9.242 -11.483 3.303 1.00 0.00 C ATOM 397 CG ARG A 32 10.349 -10.553 2.908 1.00 0.00 C ATOM 398 CD ARG A 32 11.026 -10.989 1.614 1.00 0.00 C ATOM 399 NE ARG A 32 11.814 -9.906 1.014 1.00 0.00 N ATOM 400 CZ ARG A 32 12.600 -10.047 -0.065 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.752 -11.242 -0.631 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.216 -8.984 -0.585 1.00 0.00 N ATOM 0 H ARG A 32 8.177 -9.373 2.532 1.00 0.00 H new ATOM 0 HA ARG A 32 8.316 -12.017 1.438 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.892 -11.218 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.632 -12.499 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.951 -9.546 2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.089 -10.509 3.707 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.675 -11.842 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.270 -11.323 0.904 1.00 0.00 H new ATOM 0 HE ARG A 32 11.761 -8.984 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.270 -12.054 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.350 -11.346 -1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.090 -8.064 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.813 -9.091 -1.405 1.00 0.00 H new ATOM 416 N THR A 33 6.272 -11.413 3.962 1.00 0.00 N ATOM 417 CA THR A 33 5.172 -12.007 4.678 1.00 0.00 C ATOM 418 C THR A 33 4.330 -10.984 5.464 1.00 0.00 C ATOM 419 O THR A 33 3.136 -11.182 5.667 1.00 0.00 O ATOM 420 CB THR A 33 5.668 -13.124 5.624 1.00 0.00 C ATOM 421 OG1 THR A 33 4.563 -13.790 6.245 1.00 0.00 O ATOM 422 CG2 THR A 33 6.602 -12.568 6.692 1.00 0.00 C ATOM 0 H THR A 33 6.527 -10.470 4.255 1.00 0.00 H new ATOM 0 HA THR A 33 4.519 -12.436 3.919 1.00 0.00 H new ATOM 0 HB THR A 33 6.222 -13.843 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.897 -14.494 6.839 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.934 -13.377 7.342 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.467 -12.108 6.215 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.074 -11.821 7.284 1.00 0.00 H new ATOM 430 N VAL A 34 4.954 -9.913 5.906 1.00 0.00 N ATOM 431 CA VAL A 34 4.256 -8.884 6.681 1.00 0.00 C ATOM 432 C VAL A 34 3.623 -7.854 5.750 1.00 0.00 C ATOM 433 O VAL A 34 4.169 -7.558 4.696 1.00 0.00 O ATOM 434 CB VAL A 34 5.219 -8.180 7.681 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.521 -7.045 8.420 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.773 -9.186 8.675 1.00 0.00 C ATOM 0 H VAL A 34 5.943 -9.723 5.747 1.00 0.00 H new ATOM 0 HA VAL A 34 3.470 -9.375 7.255 1.00 0.00 H new ATOM 0 HB VAL A 34 6.041 -7.753 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.222 -6.575 9.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.168 -6.305 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.673 -7.442 8.978 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.445 -8.680 9.368 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.952 -9.639 9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.321 -9.962 8.140 1.00 0.00 H new ATOM 446 N LEU A 35 2.453 -7.337 6.135 1.00 0.00 N ATOM 447 CA LEU A 35 1.747 -6.336 5.332 1.00 0.00 C ATOM 448 C LEU A 35 2.628 -5.112 5.098 1.00 0.00 C ATOM 449 O LEU A 35 3.424 -4.731 5.963 1.00 0.00 O ATOM 450 CB LEU A 35 0.423 -5.903 6.004 1.00 0.00 C ATOM 451 CG LEU A 35 0.542 -5.005 7.256 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.788 -4.340 7.561 1.00 0.00 C ATOM 453 CD2 LEU A 35 1.011 -5.805 8.466 1.00 0.00 C ATOM 0 H LEU A 35 1.975 -7.595 6.998 1.00 0.00 H new ATOM 0 HA LEU A 35 1.512 -6.797 4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.178 -5.376 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.128 -6.802 6.281 1.00 0.00 H new ATOM 0 HG LEU A 35 1.285 -4.236 7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.686 -3.711 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.091 -3.726 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.543 -5.104 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.085 -5.146 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.296 -6.600 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.988 -6.241 8.257 1.00 0.00 H new ATOM 465 N ARG A 36 2.489 -4.504 3.933 1.00 0.00 N ATOM 466 CA ARG A 36 3.274 -3.336 3.602 1.00 0.00 C ATOM 467 C ARG A 36 2.829 -2.128 4.427 1.00 0.00 C ATOM 468 O ARG A 36 1.669 -2.039 4.856 1.00 0.00 O ATOM 469 CB ARG A 36 3.187 -3.013 2.107 1.00 0.00 C ATOM 470 CG ARG A 36 1.877 -2.370 1.681 1.00 0.00 C ATOM 471 CD ARG A 36 1.972 -1.830 0.268 1.00 0.00 C ATOM 472 NE ARG A 36 0.880 -0.905 -0.048 1.00 0.00 N ATOM 473 CZ ARG A 36 0.948 0.424 0.126 1.00 0.00 C ATOM 474 NH1 ARG A 36 2.026 0.971 0.682 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.070 1.198 -0.241 1.00 0.00 N ATOM 0 H ARG A 36 1.840 -4.802 3.204 1.00 0.00 H new ATOM 0 HA ARG A 36 4.313 -3.561 3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.008 -2.347 1.843 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.328 -3.933 1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.072 -3.102 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.624 -1.562 2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.926 -1.319 0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.958 -2.660 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 36 0.015 -1.295 -0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.803 0.380 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.075 1.981 0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.904 0.781 -0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.017 2.208 -0.108 1.00 0.00 H new ATOM 489 N THR A 37 3.745 -1.210 4.631 1.00 0.00 N ATOM 490 CA THR A 37 3.486 -0.017 5.396 1.00 0.00 C ATOM 491 C THR A 37 2.523 0.899 4.651 1.00 0.00 C ATOM 492 O THR A 37 2.793 1.316 3.520 1.00 0.00 O ATOM 493 CB THR A 37 4.795 0.741 5.655 1.00 0.00 C ATOM 494 OG1 THR A 37 5.846 -0.202 5.910 1.00 0.00 O ATOM 495 CG2 THR A 37 4.646 1.663 6.855 1.00 0.00 C ATOM 0 H THR A 37 4.696 -1.272 4.268 1.00 0.00 H new ATOM 0 HA THR A 37 3.039 -0.315 6.345 1.00 0.00 H new ATOM 0 HB THR A 37 5.035 1.340 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.684 0.279 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.583 2.193 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.851 2.384 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.397 1.074 7.738 1.00 0.00 H new ATOM 503 N GLY A 38 1.398 1.186 5.275 1.00 0.00 N ATOM 504 CA GLY A 38 0.428 2.064 4.674 1.00 0.00 C ATOM 505 C GLY A 38 -0.438 1.360 3.660 1.00 0.00 C ATOM 506 O GLY A 38 -0.770 1.935 2.610 1.00 0.00 O ATOM 0 H GLY A 38 1.139 0.824 6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.204 2.490 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.944 2.895 4.192 1.00 0.00 H new ATOM 510 N VAL A 39 -0.777 0.103 3.956 1.00 0.00 N ATOM 511 CA VAL A 39 -1.642 -0.702 3.098 1.00 0.00 C ATOM 512 C VAL A 39 -2.943 0.050 2.751 1.00 0.00 C ATOM 513 O VAL A 39 -3.439 0.861 3.535 1.00 0.00 O ATOM 514 CB VAL A 39 -1.975 -2.080 3.751 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.886 -1.928 4.968 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.583 -3.030 2.734 1.00 0.00 C ATOM 0 H VAL A 39 -0.459 -0.382 4.795 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.093 -0.886 2.175 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.035 -2.508 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.093 -2.910 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.394 -1.306 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.822 -1.459 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.806 -3.983 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.503 -2.599 2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.877 -3.191 1.919 1.00 0.00 H new ATOM 526 N SER A 40 -3.467 -0.215 1.570 1.00 0.00 N ATOM 527 CA SER A 40 -4.663 0.450 1.097 1.00 0.00 C ATOM 528 C SER A 40 -5.915 -0.361 1.439 1.00 0.00 C ATOM 529 O SER A 40 -5.857 -1.587 1.564 1.00 0.00 O ATOM 530 CB SER A 40 -4.567 0.663 -0.412 1.00 0.00 C ATOM 531 OG SER A 40 -3.335 1.298 -0.763 1.00 0.00 O ATOM 0 H SER A 40 -3.078 -0.893 0.916 1.00 0.00 H new ATOM 0 HA SER A 40 -4.744 1.416 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.644 -0.296 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.404 1.273 -0.751 1.00 0.00 H new ATOM 0 HG SER A 40 -2.827 0.716 -1.366 1.00 0.00 H new ATOM 537 N GLN A 41 -7.044 0.332 1.559 1.00 0.00 N ATOM 538 CA GLN A 41 -8.324 -0.294 1.904 1.00 0.00 C ATOM 539 C GLN A 41 -8.811 -1.244 0.829 1.00 0.00 C ATOM 540 O GLN A 41 -9.753 -1.989 1.052 1.00 0.00 O ATOM 541 CB GLN A 41 -9.404 0.746 2.166 1.00 0.00 C ATOM 542 CG GLN A 41 -9.833 1.534 0.934 1.00 0.00 C ATOM 543 CD GLN A 41 -8.840 2.603 0.547 1.00 0.00 C ATOM 544 OE1 GLN A 41 -7.912 2.366 -0.237 1.00 0.00 O ATOM 545 NE2 GLN A 41 -9.020 3.775 1.099 1.00 0.00 N ATOM 0 H GLN A 41 -7.101 1.341 1.421 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.138 -0.863 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.278 0.247 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.043 1.444 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.965 0.848 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.802 1.996 1.123 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.800 3.923 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.380 4.541 0.889 1.00 0.00 H new ATOM 554 N GLN A 42 -8.196 -1.190 -0.340 1.00 0.00 N ATOM 555 CA GLN A 42 -8.565 -2.073 -1.443 1.00 0.00 C ATOM 556 C GLN A 42 -8.640 -3.525 -0.950 1.00 0.00 C ATOM 557 O GLN A 42 -9.522 -4.284 -1.340 1.00 0.00 O ATOM 558 CB GLN A 42 -7.546 -1.948 -2.585 1.00 0.00 C ATOM 559 CG GLN A 42 -7.288 -0.507 -3.033 1.00 0.00 C ATOM 560 CD GLN A 42 -8.547 0.207 -3.503 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.462 -0.407 -4.040 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.600 1.510 -3.290 1.00 0.00 N ATOM 0 H GLN A 42 -7.436 -0.544 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.545 -1.780 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.603 -2.393 -2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.900 -2.526 -3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.848 0.051 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.556 -0.510 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.818 1.985 -2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.423 2.040 -3.576 1.00 0.00 H new ATOM 571 N ILE A 43 -7.711 -3.885 -0.069 1.00 0.00 N ATOM 572 CA ILE A 43 -7.682 -5.212 0.513 1.00 0.00 C ATOM 573 C ILE A 43 -8.607 -5.321 1.747 1.00 0.00 C ATOM 574 O ILE A 43 -9.341 -6.291 1.898 1.00 0.00 O ATOM 575 CB ILE A 43 -6.244 -5.630 0.914 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.705 -4.722 2.018 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.331 -5.583 -0.302 1.00 0.00 C ATOM 578 CD1 ILE A 43 -4.838 -5.440 3.020 1.00 0.00 C ATOM 0 H ILE A 43 -6.966 -3.268 0.255 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.046 -5.890 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.273 -6.650 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.130 -3.915 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.544 -4.261 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.323 -5.878 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.704 -6.267 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.311 -4.570 -0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.491 -4.733 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.415 -6.229 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.979 -5.878 2.511 1.00 0.00 H new ATOM 590 N ALA A 44 -8.553 -4.313 2.624 1.00 0.00 N ATOM 591 CA ALA A 44 -9.302 -4.331 3.880 1.00 0.00 C ATOM 592 C ALA A 44 -10.737 -3.854 3.706 1.00 0.00 C ATOM 593 O ALA A 44 -11.675 -4.625 3.893 1.00 0.00 O ATOM 594 CB ALA A 44 -8.584 -3.499 4.927 1.00 0.00 C ATOM 0 H ALA A 44 -7.994 -3.471 2.484 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.352 -5.367 4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.150 -3.519 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.589 -3.909 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.497 -2.470 4.577 1.00 0.00 H new ATOM 600 N SER A 45 -10.890 -2.558 3.395 1.00 0.00 N ATOM 601 CA SER A 45 -12.197 -1.920 3.161 1.00 0.00 C ATOM 602 C SER A 45 -12.969 -1.653 4.468 1.00 0.00 C ATOM 603 O SER A 45 -13.900 -0.858 4.485 1.00 0.00 O ATOM 604 CB SER A 45 -13.043 -2.736 2.180 1.00 0.00 C ATOM 605 OG SER A 45 -12.341 -2.927 0.957 1.00 0.00 O ATOM 0 H SER A 45 -10.103 -1.916 3.298 1.00 0.00 H new ATOM 0 HA SER A 45 -11.993 -0.948 2.712 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.290 -3.702 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.986 -2.223 1.989 1.00 0.00 H new ATOM 0 HG SER A 45 -11.465 -2.492 1.011 1.00 0.00 H new ATOM 611 N SER A 46 -12.580 -2.341 5.544 1.00 0.00 N ATOM 612 CA SER A 46 -13.229 -2.207 6.852 1.00 0.00 C ATOM 613 C SER A 46 -13.215 -0.745 7.364 1.00 0.00 C ATOM 614 O SER A 46 -14.077 0.060 7.006 1.00 0.00 O ATOM 615 CB SER A 46 -12.555 -3.144 7.870 1.00 0.00 C ATOM 616 OG SER A 46 -13.172 -3.066 9.137 1.00 0.00 O ATOM 0 H SER A 46 -11.807 -3.006 5.534 1.00 0.00 H new ATOM 0 HA SER A 46 -14.274 -2.493 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.600 -4.170 7.506 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.500 -2.884 7.962 1.00 0.00 H new ATOM 0 HG SER A 46 -12.721 -3.675 9.759 1.00 0.00 H new ATOM 622 N VAL A 47 -12.239 -0.419 8.198 1.00 0.00 N ATOM 623 CA VAL A 47 -12.119 0.932 8.747 1.00 0.00 C ATOM 624 C VAL A 47 -10.750 1.510 8.446 1.00 0.00 C ATOM 625 O VAL A 47 -10.558 2.727 8.425 1.00 0.00 O ATOM 626 CB VAL A 47 -12.361 0.955 10.279 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.809 0.609 10.598 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.411 -0.006 10.991 1.00 0.00 C ATOM 0 H VAL A 47 -11.517 -1.068 8.512 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.887 1.541 8.269 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.161 1.964 10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.959 0.630 11.677 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -14.469 1.336 10.125 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.037 -0.388 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.598 0.026 12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.576 -1.019 10.624 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.380 0.288 10.793 1.00 0.00 H new ATOM 638 N VAL A 48 -9.801 0.629 8.216 1.00 0.00 N ATOM 639 CA VAL A 48 -8.457 1.020 7.899 1.00 0.00 C ATOM 640 C VAL A 48 -8.351 1.424 6.426 1.00 0.00 C ATOM 641 O VAL A 48 -8.290 0.576 5.533 1.00 0.00 O ATOM 642 CB VAL A 48 -7.444 -0.115 8.247 1.00 0.00 C ATOM 643 CG1 VAL A 48 -7.906 -1.457 7.701 1.00 0.00 C ATOM 644 CG2 VAL A 48 -6.048 0.215 7.742 1.00 0.00 C ATOM 0 H VAL A 48 -9.947 -0.380 8.245 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.200 1.886 8.509 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.402 -0.188 9.334 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.178 -2.226 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.873 -1.712 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.998 -1.396 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.367 -0.595 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.072 0.337 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.703 1.140 8.204 1.00 0.00 H new ATOM 654 N GLN A 49 -8.392 2.728 6.178 1.00 0.00 N ATOM 655 CA GLN A 49 -8.255 3.236 4.824 1.00 0.00 C ATOM 656 C GLN A 49 -6.816 3.108 4.374 1.00 0.00 C ATOM 657 O GLN A 49 -6.531 2.654 3.266 1.00 0.00 O ATOM 658 CB GLN A 49 -8.692 4.695 4.738 1.00 0.00 C ATOM 659 CG GLN A 49 -10.106 4.949 5.237 1.00 0.00 C ATOM 660 CD GLN A 49 -11.151 4.283 4.367 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.959 4.125 3.160 1.00 0.00 O ATOM 662 NE2 GLN A 49 -12.254 3.888 4.966 1.00 0.00 N ATOM 0 H GLN A 49 -8.518 3.445 6.892 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.899 2.647 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.999 5.306 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.619 5.025 3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.200 4.582 6.259 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.291 6.023 5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.372 4.038 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.991 3.431 4.428 1.00 0.00 H new ATOM 671 N ARG A 50 -5.911 3.534 5.240 1.00 0.00 N ATOM 672 CA ARG A 50 -4.502 3.452 4.977 1.00 0.00 C ATOM 673 C ARG A 50 -3.724 3.275 6.284 1.00 0.00 C ATOM 674 O ARG A 50 -2.489 3.334 6.304 1.00 0.00 O ATOM 675 CB ARG A 50 -4.062 4.723 4.268 1.00 0.00 C ATOM 676 CG ARG A 50 -2.621 4.715 3.839 1.00 0.00 C ATOM 677 CD ARG A 50 -2.361 5.751 2.775 1.00 0.00 C ATOM 678 NE ARG A 50 -3.298 5.638 1.630 1.00 0.00 N ATOM 679 CZ ARG A 50 -3.434 4.556 0.824 1.00 0.00 C ATOM 680 NH1 ARG A 50 -2.701 3.455 1.018 1.00 0.00 N ATOM 681 NH2 ARG A 50 -4.322 4.583 -0.172 1.00 0.00 N ATOM 0 H ARG A 50 -6.143 3.946 6.144 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.298 2.589 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.691 4.874 3.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.229 5.573 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.982 4.907 4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.357 3.727 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.446 6.746 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.338 5.648 2.414 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.891 6.444 1.432 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.026 3.420 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.816 2.650 0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.893 5.414 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.429 3.772 -0.782 1.00 0.00 H new ATOM 695 N ALA A 51 -4.465 3.041 7.376 1.00 0.00 N ATOM 696 CA ALA A 51 -3.901 2.930 8.730 1.00 0.00 C ATOM 697 C ALA A 51 -3.378 4.282 9.218 1.00 0.00 C ATOM 698 O ALA A 51 -3.756 4.749 10.285 1.00 0.00 O ATOM 699 CB ALA A 51 -2.819 1.854 8.804 1.00 0.00 C ATOM 0 H ALA A 51 -5.478 2.923 7.345 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.706 2.622 9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.427 1.802 9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.246 0.889 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.011 2.102 8.115 1.00 0.00 H new ATOM 705 N ALA A 52 -2.520 4.905 8.421 1.00 0.00 N ATOM 706 CA ALA A 52 -1.983 6.210 8.742 1.00 0.00 C ATOM 707 C ALA A 52 -3.068 7.267 8.663 1.00 0.00 C ATOM 708 O ALA A 52 -3.920 7.230 7.767 1.00 0.00 O ATOM 709 CB ALA A 52 -0.840 6.556 7.817 1.00 0.00 C ATOM 0 H ALA A 52 -2.182 4.518 7.540 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.603 6.182 9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.449 7.541 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.049 5.813 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.195 6.564 6.787 1.00 0.00 H new ATOM 715 N GLN A 53 -2.998 8.225 9.575 1.00 0.00 N ATOM 716 CA GLN A 53 -4.005 9.289 9.717 1.00 0.00 C ATOM 717 C GLN A 53 -4.242 10.070 8.423 1.00 0.00 C ATOM 718 O GLN A 53 -5.254 10.728 8.285 1.00 0.00 O ATOM 719 CB GLN A 53 -3.633 10.261 10.858 1.00 0.00 C ATOM 720 CG GLN A 53 -2.342 11.050 10.629 1.00 0.00 C ATOM 721 CD GLN A 53 -1.085 10.205 10.761 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.107 9.238 11.662 1.00 0.00 O flip ATOM 723 NE2 GLN A 53 -0.098 10.438 10.076 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.236 8.294 10.249 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.939 8.783 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.453 10.965 10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.537 9.694 11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.369 11.495 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.295 11.871 11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.120 11.193 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.746 9.877 10.190 1.00 0.00 H new ATOM 732 N SER A 54 -3.306 9.996 7.490 1.00 0.00 N ATOM 733 CA SER A 54 -3.444 10.686 6.217 1.00 0.00 C ATOM 734 C SER A 54 -4.752 10.286 5.507 1.00 0.00 C ATOM 735 O SER A 54 -5.691 11.074 5.425 1.00 0.00 O ATOM 736 CB SER A 54 -2.225 10.391 5.325 1.00 0.00 C ATOM 737 OG SER A 54 -2.367 10.955 4.034 1.00 0.00 O ATOM 0 H SER A 54 -2.441 9.464 7.591 1.00 0.00 H new ATOM 0 HA SER A 54 -3.488 11.758 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.326 10.786 5.797 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.091 9.313 5.238 1.00 0.00 H new ATOM 0 HG SER A 54 -1.573 10.748 3.498 1.00 0.00 H new ATOM 743 N LEU A 55 -4.804 9.066 5.009 1.00 0.00 N ATOM 744 CA LEU A 55 -5.981 8.582 4.298 1.00 0.00 C ATOM 745 C LEU A 55 -7.002 7.969 5.266 1.00 0.00 C ATOM 746 O LEU A 55 -8.197 7.943 4.989 1.00 0.00 O ATOM 747 CB LEU A 55 -5.560 7.549 3.250 1.00 0.00 C ATOM 748 CG LEU A 55 -6.160 7.702 1.843 1.00 0.00 C ATOM 749 CD1 LEU A 55 -7.670 7.537 1.868 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.768 9.044 1.235 1.00 0.00 C ATOM 0 H LEU A 55 -4.046 8.388 5.082 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.457 9.429 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.474 7.579 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.822 6.559 3.625 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.752 6.910 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.065 7.651 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.922 6.546 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.108 8.296 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.202 9.133 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.139 9.852 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.682 9.108 1.164 1.00 0.00 H new ATOM 762 N ALA A 56 -6.516 7.484 6.403 1.00 0.00 N ATOM 763 CA ALA A 56 -7.361 6.800 7.374 1.00 0.00 C ATOM 764 C ALA A 56 -8.202 7.739 8.201 1.00 0.00 C ATOM 765 O ALA A 56 -9.153 7.298 8.835 1.00 0.00 O ATOM 766 CB ALA A 56 -6.550 5.890 8.266 1.00 0.00 C ATOM 0 H ALA A 56 -5.536 7.553 6.676 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.053 6.194 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.211 5.396 8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.045 5.139 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.808 6.477 8.807 1.00 0.00 H new ATOM 772 N SER A 57 -7.829 9.012 8.238 1.00 0.00 N ATOM 773 CA SER A 57 -8.583 9.995 9.017 1.00 0.00 C ATOM 774 C SER A 57 -10.065 9.947 8.649 1.00 0.00 C ATOM 775 O SER A 57 -10.470 10.402 7.571 1.00 0.00 O ATOM 776 CB SER A 57 -8.037 11.410 8.809 1.00 0.00 C ATOM 777 OG SER A 57 -8.638 12.325 9.718 1.00 0.00 O ATOM 0 H SER A 57 -7.019 9.388 7.745 1.00 0.00 H new ATOM 0 HA SER A 57 -8.469 9.739 10.070 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.956 11.411 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.227 11.731 7.785 1.00 0.00 H new ATOM 0 HG SER A 57 -8.273 13.222 9.568 1.00 0.00 H new ATOM 783 N THR A 58 -10.867 9.385 9.544 1.00 0.00 N ATOM 784 CA THR A 58 -12.278 9.229 9.298 1.00 0.00 C ATOM 785 C THR A 58 -13.041 8.894 10.599 1.00 0.00 C ATOM 786 O THR A 58 -14.124 9.423 10.845 1.00 0.00 O ATOM 787 CB THR A 58 -12.539 8.134 8.205 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.903 8.169 7.783 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.205 6.730 8.711 1.00 0.00 C ATOM 0 H THR A 58 -10.554 9.031 10.448 1.00 0.00 H new ATOM 0 HA THR A 58 -12.655 10.181 8.925 1.00 0.00 H new ATOM 0 HB THR A 58 -11.884 8.359 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.052 7.482 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.400 6.003 7.923 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.153 6.686 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.823 6.499 9.579 1.00 0.00 H new ATOM 797 N LEU A 59 -12.457 8.033 11.434 1.00 0.00 N ATOM 798 CA LEU A 59 -13.102 7.613 12.681 1.00 0.00 C ATOM 799 C LEU A 59 -12.244 7.935 13.899 1.00 0.00 C ATOM 800 O LEU A 59 -12.436 7.358 14.964 1.00 0.00 O ATOM 801 CB LEU A 59 -13.402 6.114 12.645 1.00 0.00 C ATOM 802 CG LEU A 59 -14.468 5.655 11.648 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.573 4.142 11.648 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.815 6.280 11.978 1.00 0.00 C ATOM 0 H LEU A 59 -11.542 7.614 11.271 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.035 8.171 12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.475 5.586 12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.712 5.804 13.643 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.172 5.984 10.652 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.335 3.830 10.934 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.613 3.711 11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.847 3.796 12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.560 5.941 11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.119 5.981 12.981 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.733 7.366 11.932 1.00 0.00 H new ATOM 816 N GLY A 60 -11.307 8.846 13.744 1.00 0.00 N ATOM 817 CA GLY A 60 -10.435 9.191 14.850 1.00 0.00 C ATOM 818 C GLY A 60 -9.170 8.368 14.844 1.00 0.00 C ATOM 819 O GLY A 60 -8.922 7.563 15.754 1.00 0.00 O ATOM 0 H GLY A 60 -11.130 9.355 12.878 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.180 10.249 14.796 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.964 9.038 15.791 1.00 0.00 H new ATOM 823 N VAL A 61 -8.374 8.546 13.816 1.00 0.00 N ATOM 824 CA VAL A 61 -7.144 7.811 13.690 1.00 0.00 C ATOM 825 C VAL A 61 -5.962 8.665 14.128 1.00 0.00 C ATOM 826 O VAL A 61 -5.508 9.541 13.397 1.00 0.00 O ATOM 827 CB VAL A 61 -6.923 7.327 12.243 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.654 6.497 12.139 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.125 6.532 11.758 1.00 0.00 C ATOM 0 H VAL A 61 -8.560 9.197 13.053 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.218 6.938 14.339 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.808 8.202 11.604 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.519 6.167 11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.798 7.101 12.442 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.733 5.628 12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.952 6.198 10.735 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.272 5.665 12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.014 7.162 11.788 1.00 0.00 H new ATOM 839 N ASP A 62 -5.492 8.407 15.330 1.00 0.00 N ATOM 840 CA ASP A 62 -4.332 9.110 15.891 1.00 0.00 C ATOM 841 C ASP A 62 -3.799 8.338 17.069 1.00 0.00 C ATOM 842 O ASP A 62 -2.964 8.815 17.833 1.00 0.00 O ATOM 843 CB ASP A 62 -4.715 10.522 16.336 1.00 0.00 C ATOM 844 CG ASP A 62 -5.551 10.525 17.601 1.00 0.00 C ATOM 845 OD1 ASP A 62 -6.658 9.951 17.592 1.00 0.00 O ATOM 846 OD2 ASP A 62 -5.098 11.094 18.617 1.00 0.00 O ATOM 0 H ASP A 62 -5.894 7.707 15.954 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.566 9.186 15.120 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.809 11.106 16.501 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.269 11.014 15.537 1.00 0.00 H new ATOM 851 N GLY A 63 -4.261 7.134 17.172 1.00 0.00 N ATOM 852 CA GLY A 63 -3.916 6.291 18.278 1.00 0.00 C ATOM 853 C GLY A 63 -5.065 5.394 18.657 1.00 0.00 C ATOM 854 O GLY A 63 -4.905 4.183 18.744 1.00 0.00 O ATOM 0 H GLY A 63 -4.889 6.704 16.493 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.048 5.685 18.020 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.633 6.905 19.133 1.00 0.00 H new ATOM 858 N ASN A 64 -6.245 5.992 18.841 1.00 0.00 N ATOM 859 CA ASN A 64 -7.444 5.244 19.201 1.00 0.00 C ATOM 860 C ASN A 64 -7.749 4.181 18.148 1.00 0.00 C ATOM 861 O ASN A 64 -7.864 3.002 18.462 1.00 0.00 O ATOM 862 CB ASN A 64 -8.626 6.204 19.387 1.00 0.00 C ATOM 863 CG ASN A 64 -9.941 5.499 19.630 1.00 0.00 C ATOM 864 OD1 ASN A 64 -10.272 5.129 20.759 1.00 0.00 O ATOM 865 ND2 ASN A 64 -10.707 5.338 18.585 1.00 0.00 N ATOM 0 H ASN A 64 -6.392 6.997 18.745 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.272 4.730 20.147 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.417 6.867 20.227 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.717 6.832 18.501 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.618 4.891 18.685 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.394 5.659 17.669 1.00 0.00 H new ATOM 872 N ASN A 65 -7.872 4.597 16.897 1.00 0.00 N ATOM 873 CA ASN A 65 -8.063 3.637 15.815 1.00 0.00 C ATOM 874 C ASN A 65 -6.731 3.100 15.343 1.00 0.00 C ATOM 875 O ASN A 65 -6.582 1.913 15.131 1.00 0.00 O ATOM 876 CB ASN A 65 -8.821 4.249 14.629 1.00 0.00 C ATOM 877 CG ASN A 65 -10.316 4.301 14.845 1.00 0.00 C ATOM 878 OD1 ASN A 65 -10.787 4.442 15.962 1.00 0.00 O ATOM 879 ND2 ASN A 65 -11.073 4.171 13.772 1.00 0.00 N ATOM 0 H ASN A 65 -7.844 5.574 16.606 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.666 2.821 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.450 5.258 14.450 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.609 3.668 13.731 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.089 4.187 13.860 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.642 4.055 12.855 1.00 0.00 H new ATOM 886 N LEU A 66 -5.756 3.987 15.231 1.00 0.00 N ATOM 887 CA LEU A 66 -4.430 3.652 14.709 1.00 0.00 C ATOM 888 C LEU A 66 -3.796 2.471 15.444 1.00 0.00 C ATOM 889 O LEU A 66 -3.471 1.453 14.837 1.00 0.00 O ATOM 890 CB LEU A 66 -3.515 4.880 14.799 1.00 0.00 C ATOM 891 CG LEU A 66 -2.061 4.687 14.354 1.00 0.00 C ATOM 892 CD1 LEU A 66 -1.988 4.252 12.899 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.273 5.970 14.569 1.00 0.00 C ATOM 0 H LEU A 66 -5.857 4.966 15.499 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.552 3.354 13.668 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.953 5.676 14.196 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.512 5.227 15.832 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.619 3.897 14.961 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.945 4.123 12.610 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.519 3.308 12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.448 5.013 12.268 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.242 5.821 14.249 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.721 6.774 13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.291 6.235 15.626 1.00 0.00 H new ATOM 905 N ALA A 67 -3.638 2.610 16.742 1.00 0.00 N ATOM 906 CA ALA A 67 -2.983 1.587 17.545 1.00 0.00 C ATOM 907 C ALA A 67 -3.931 0.459 17.947 1.00 0.00 C ATOM 908 O ALA A 67 -3.501 -0.535 18.534 1.00 0.00 O ATOM 909 CB ALA A 67 -2.348 2.213 18.780 1.00 0.00 C ATOM 0 H ALA A 67 -3.954 3.423 17.271 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.206 1.141 16.924 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.862 1.438 19.372 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.609 2.953 18.474 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.119 2.697 19.380 1.00 0.00 H new ATOM 915 N ARG A 68 -5.217 0.595 17.635 1.00 0.00 N ATOM 916 CA ARG A 68 -6.180 -0.417 18.052 1.00 0.00 C ATOM 917 C ARG A 68 -7.046 -0.930 16.894 1.00 0.00 C ATOM 918 O ARG A 68 -6.710 -1.919 16.254 1.00 0.00 O ATOM 919 CB ARG A 68 -7.080 0.111 19.178 1.00 0.00 C ATOM 920 CG ARG A 68 -6.337 0.758 20.333 1.00 0.00 C ATOM 921 CD ARG A 68 -7.305 1.270 21.381 1.00 0.00 C ATOM 922 NE ARG A 68 -6.655 2.110 22.379 1.00 0.00 N ATOM 923 CZ ARG A 68 -7.026 2.183 23.656 1.00 0.00 C ATOM 924 NH1 ARG A 68 -8.010 1.414 24.115 1.00 0.00 N ATOM 925 NH2 ARG A 68 -6.404 3.019 24.478 1.00 0.00 N ATOM 0 H ARG A 68 -5.609 1.376 17.108 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.594 -1.259 18.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.775 0.838 18.758 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.677 -0.715 19.565 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.657 0.035 20.783 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.727 1.582 19.962 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.097 1.838 20.893 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.780 0.423 21.877 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.864 2.680 22.080 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.484 0.764 23.488 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.290 1.474 25.094 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.644 3.604 24.131 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.686 3.077 25.456 1.00 0.00 H new ATOM 939 N PHE A 69 -8.141 -0.225 16.616 1.00 0.00 N ATOM 940 CA PHE A 69 -9.154 -0.670 15.643 1.00 0.00 C ATOM 941 C PHE A 69 -8.602 -0.909 14.232 1.00 0.00 C ATOM 942 O PHE A 69 -9.097 -1.777 13.515 1.00 0.00 O ATOM 943 CB PHE A 69 -10.317 0.324 15.595 1.00 0.00 C ATOM 944 CG PHE A 69 -11.013 0.496 16.919 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.761 -0.534 17.464 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.912 1.686 17.625 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.394 -0.382 18.681 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.543 1.844 18.842 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.285 0.809 19.371 1.00 0.00 C ATOM 0 H PHE A 69 -8.357 0.670 17.055 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.504 -1.639 15.997 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.944 1.292 15.261 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.042 -0.012 14.853 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.850 -1.468 16.930 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.332 2.500 17.216 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.974 -1.194 19.093 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.456 2.777 19.379 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.780 0.930 20.323 1.00 0.00 H new ATOM 959 N ALA A 70 -7.593 -0.152 13.840 1.00 0.00 N ATOM 960 CA ALA A 70 -7.016 -0.287 12.509 1.00 0.00 C ATOM 961 C ALA A 70 -6.185 -1.555 12.398 1.00 0.00 C ATOM 962 O ALA A 70 -6.387 -2.362 11.489 1.00 0.00 O ATOM 963 CB ALA A 70 -6.175 0.934 12.161 1.00 0.00 C ATOM 0 H ALA A 70 -7.155 0.562 14.421 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.836 -0.357 11.795 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.753 0.813 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.801 1.826 12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.368 1.038 12.886 1.00 0.00 H new ATOM 969 N VAL A 71 -5.261 -1.736 13.331 1.00 0.00 N ATOM 970 CA VAL A 71 -4.398 -2.904 13.317 1.00 0.00 C ATOM 971 C VAL A 71 -5.178 -4.170 13.633 1.00 0.00 C ATOM 972 O VAL A 71 -4.983 -5.185 12.989 1.00 0.00 O ATOM 973 CB VAL A 71 -3.181 -2.750 14.276 1.00 0.00 C ATOM 974 CG1 VAL A 71 -3.618 -2.555 15.723 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.232 -3.939 14.151 1.00 0.00 C ATOM 0 H VAL A 71 -5.092 -1.091 14.103 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.002 -2.989 12.305 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.645 -1.850 13.974 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.738 -2.452 16.358 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.229 -1.656 15.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.200 -3.418 16.047 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.391 -3.806 14.831 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.763 -4.856 14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.864 -4.005 13.127 1.00 0.00 H new ATOM 985 N GLN A 72 -6.092 -4.091 14.592 1.00 0.00 N ATOM 986 CA GLN A 72 -6.895 -5.244 14.969 1.00 0.00 C ATOM 987 C GLN A 72 -7.766 -5.714 13.814 1.00 0.00 C ATOM 988 O GLN A 72 -7.909 -6.902 13.598 1.00 0.00 O ATOM 989 CB GLN A 72 -7.743 -4.943 16.202 1.00 0.00 C ATOM 990 CG GLN A 72 -6.937 -4.865 17.488 1.00 0.00 C ATOM 991 CD GLN A 72 -7.768 -4.433 18.677 1.00 0.00 C ATOM 992 OE1 GLN A 72 -8.972 -4.674 18.732 1.00 0.00 O ATOM 993 NE2 GLN A 72 -7.128 -3.801 19.642 1.00 0.00 N ATOM 0 H GLN A 72 -6.294 -3.243 15.121 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.210 -6.054 15.220 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.265 -3.998 16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.505 -5.715 16.306 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.496 -5.840 17.694 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.113 -4.164 17.353 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.128 -3.620 19.558 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.633 -3.493 20.473 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.318 -4.773 13.058 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.160 -5.103 11.907 1.00 0.00 C ATOM 1004 C ALA A 73 -8.435 -6.036 10.946 1.00 0.00 C ATOM 1005 O ALA A 73 -9.006 -7.012 10.459 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.583 -3.838 11.177 1.00 0.00 C ATOM 0 H ALA A 73 -8.199 -3.773 13.219 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.048 -5.614 12.280 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.208 -4.102 10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.146 -3.197 11.856 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.698 -3.307 10.827 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.172 -5.735 10.692 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.368 -6.525 9.784 1.00 0.00 C ATOM 1014 C VAL A 74 -5.717 -7.708 10.513 1.00 0.00 C ATOM 1015 O VAL A 74 -5.533 -8.778 9.945 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.276 -5.658 9.105 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.509 -6.457 8.059 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -5.898 -4.415 8.482 1.00 0.00 C ATOM 0 H VAL A 74 -6.682 -4.943 11.107 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.033 -6.913 9.012 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.566 -5.346 9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.751 -5.822 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.028 -7.312 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.199 -6.809 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.119 -3.816 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.632 -4.712 7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.388 -3.826 9.257 1.00 0.00 H new ATOM 1028 N SER A 75 -5.398 -7.507 11.778 1.00 0.00 N ATOM 1029 CA SER A 75 -4.759 -8.528 12.591 1.00 0.00 C ATOM 1030 C SER A 75 -5.733 -9.670 12.913 1.00 0.00 C ATOM 1031 O SER A 75 -5.315 -10.789 13.208 1.00 0.00 O ATOM 1032 CB SER A 75 -4.221 -7.899 13.883 1.00 0.00 C ATOM 1033 OG SER A 75 -3.434 -8.817 14.625 1.00 0.00 O ATOM 0 H SER A 75 -5.574 -6.632 12.272 1.00 0.00 H new ATOM 0 HA SER A 75 -3.928 -8.951 12.026 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.623 -7.021 13.639 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.055 -7.556 14.496 1.00 0.00 H new ATOM 0 HG SER A 75 -3.107 -8.383 15.440 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.028 -9.377 12.860 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.056 -10.380 13.117 1.00 0.00 C ATOM 1041 C ARG A 76 -8.371 -11.168 11.851 1.00 0.00 C ATOM 1042 O ARG A 76 -9.239 -12.041 11.852 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.336 -9.730 13.656 1.00 0.00 C ATOM 1044 CG ARG A 76 -9.201 -9.114 15.041 1.00 0.00 C ATOM 1045 CD ARG A 76 -8.743 -10.122 16.082 1.00 0.00 C ATOM 1046 NE ARG A 76 -8.739 -9.537 17.426 1.00 0.00 N ATOM 1047 CZ ARG A 76 -7.803 -9.765 18.356 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -6.778 -10.575 18.099 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -7.899 -9.178 19.543 1.00 0.00 N ATOM 0 H ARG A 76 -7.392 -8.450 12.641 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.668 -11.064 13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.656 -8.956 12.958 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.125 -10.481 13.683 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.490 -8.289 15.001 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.160 -8.694 15.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.401 -10.991 16.064 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.742 -10.475 15.834 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.506 -8.910 17.671 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.701 -11.027 17.188 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.069 -10.743 18.813 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.683 -8.557 19.743 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.189 -9.348 20.255 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.668 -10.854 10.778 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.851 -11.537 9.511 1.00 0.00 C ATOM 1065 C LEU A 77 -7.003 -12.801 9.473 1.00 0.00 C ATOM 1066 O LEU A 77 -6.006 -12.902 10.194 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.468 -10.609 8.350 1.00 0.00 C ATOM 1068 CG LEU A 77 -8.398 -9.416 8.120 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -7.751 -8.411 7.181 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -9.727 -9.888 7.548 1.00 0.00 C ATOM 0 H LEU A 77 -6.958 -10.122 10.760 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.900 -11.813 9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.461 -10.232 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.431 -11.199 7.434 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.580 -8.929 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.426 -7.569 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.818 -8.054 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.544 -8.889 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.380 -9.030 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.555 -10.394 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.199 -10.578 8.247 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.640 -10.334 -0.011 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.672 -8.907 0.180 1.00 0.00 C ATOM 1173 C TYR A 86 -2.509 -8.226 -0.530 1.00 0.00 C ATOM 1174 O TYR A 86 -1.852 -8.824 -1.389 1.00 0.00 O ATOM 1175 CB TYR A 86 -3.661 -8.585 1.674 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.940 -8.950 2.385 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -6.136 -9.100 1.687 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -4.958 -9.130 3.753 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -7.301 -9.424 2.335 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -6.118 -9.453 4.410 1.00 0.00 C ATOM 1181 CZ TYR A 86 -7.297 -9.601 3.693 1.00 0.00 C ATOM 1182 OH TYR A 86 -8.474 -9.930 4.339 1.00 0.00 O ATOM 0 HA TYR A 86 -4.592 -8.521 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.832 -9.113 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.475 -7.519 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.146 -8.959 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.043 -9.015 4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.218 -9.539 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.114 -9.592 5.481 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.368 -10.792 4.793 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.261 -6.972 -0.167 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.194 -6.169 -0.748 1.00 0.00 C ATOM 1194 C ALA A 87 0.178 -6.635 -0.266 1.00 0.00 C ATOM 1195 O ALA A 87 0.962 -5.847 0.248 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.410 -4.717 -0.373 1.00 0.00 C ATOM 0 H ALA A 87 -2.801 -6.481 0.546 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.220 -6.284 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.615 -4.108 -0.804 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.373 -4.381 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.397 -4.616 0.712 1.00 0.00 H new ATOM 1202 N GLN A 88 0.442 -7.913 -0.425 1.00 0.00 N ATOM 1203 CA GLN A 88 1.692 -8.498 -0.013 1.00 0.00 C ATOM 1204 C GLN A 88 2.719 -8.461 -1.148 1.00 0.00 C ATOM 1205 O GLN A 88 3.782 -7.861 -1.022 1.00 0.00 O ATOM 1206 CB GLN A 88 1.455 -9.937 0.456 1.00 0.00 C ATOM 1207 CG GLN A 88 2.689 -10.618 1.015 1.00 0.00 C ATOM 1208 CD GLN A 88 3.321 -9.848 2.161 1.00 0.00 C ATOM 1209 OE1 GLN A 88 4.520 -9.897 2.354 1.00 0.00 O ATOM 1210 NE2 GLN A 88 2.514 -9.145 2.933 1.00 0.00 N ATOM 0 H GLN A 88 -0.209 -8.576 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 88 2.096 -7.914 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.677 -9.935 1.219 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.078 -10.523 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.422 -11.617 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.423 -10.741 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.512 -9.127 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.892 -8.620 3.722 1.00 0.00 H new ATOM 1219 N ALA A 89 2.381 -9.090 -2.263 1.00 0.00 N ATOM 1220 CA ALA A 89 3.292 -9.169 -3.398 1.00 0.00 C ATOM 1221 C ALA A 89 3.222 -7.916 -4.264 1.00 0.00 C ATOM 1222 O ALA A 89 4.188 -7.555 -4.931 1.00 0.00 O ATOM 1223 CB ALA A 89 2.988 -10.407 -4.230 1.00 0.00 C ATOM 0 H ALA A 89 1.484 -9.553 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 89 4.307 -9.242 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.675 -10.455 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.108 -11.298 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.963 -10.355 -4.598 1.00 0.00 H new ATOM 1229 N PHE A 90 2.082 -7.244 -4.236 1.00 0.00 N ATOM 1230 CA PHE A 90 1.880 -6.052 -5.054 1.00 0.00 C ATOM 1231 C PHE A 90 2.449 -4.809 -4.381 1.00 0.00 C ATOM 1232 O PHE A 90 2.283 -3.696 -4.881 1.00 0.00 O ATOM 1233 CB PHE A 90 0.392 -5.853 -5.359 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.217 -6.975 -6.150 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.059 -7.034 -7.525 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.945 -7.969 -5.519 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.616 -8.065 -8.257 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.504 -9.004 -6.243 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.339 -9.052 -7.615 1.00 0.00 C ATOM 0 H PHE A 90 1.282 -7.501 -3.658 1.00 0.00 H new ATOM 0 HA PHE A 90 2.416 -6.203 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.151 -5.746 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.264 -4.921 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.506 -6.265 -8.031 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.078 -7.935 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.487 -8.099 -9.329 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.069 -9.774 -5.739 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.775 -9.860 -8.184 1.00 0.00 H new ATOM 1249 N SER A 91 3.142 -5.007 -3.263 1.00 0.00 N ATOM 1250 CA SER A 91 3.729 -3.909 -2.499 1.00 0.00 C ATOM 1251 C SER A 91 4.601 -3.001 -3.366 1.00 0.00 C ATOM 1252 O SER A 91 4.687 -1.805 -3.123 1.00 0.00 O ATOM 1253 CB SER A 91 4.534 -4.456 -1.324 1.00 0.00 C ATOM 1254 OG SER A 91 3.690 -5.146 -0.427 1.00 0.00 O ATOM 0 H SER A 91 3.312 -5.929 -2.862 1.00 0.00 H new ATOM 0 HA SER A 91 2.908 -3.300 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.312 -5.126 -1.689 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.035 -3.638 -0.806 1.00 0.00 H new ATOM 0 HG SER A 91 3.713 -6.105 -0.628 1.00 0.00 H new ATOM 1260 N SER A 92 5.228 -3.567 -4.378 1.00 0.00 N ATOM 1261 CA SER A 92 6.073 -2.797 -5.270 1.00 0.00 C ATOM 1262 C SER A 92 5.291 -1.700 -5.999 1.00 0.00 C ATOM 1263 O SER A 92 5.722 -0.543 -6.044 1.00 0.00 O ATOM 1264 CB SER A 92 6.761 -3.721 -6.265 1.00 0.00 C ATOM 1265 OG SER A 92 7.649 -4.601 -5.596 1.00 0.00 O ATOM 0 H SER A 92 5.168 -4.560 -4.604 1.00 0.00 H new ATOM 0 HA SER A 92 6.829 -2.299 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.014 -4.296 -6.812 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.309 -3.131 -6.999 1.00 0.00 H new ATOM 0 HG SER A 92 7.800 -5.396 -6.149 1.00 0.00 H new ATOM 1271 N ALA A 93 4.149 -2.062 -6.553 1.00 0.00 N ATOM 1272 CA ALA A 93 3.325 -1.115 -7.296 1.00 0.00 C ATOM 1273 C ALA A 93 2.439 -0.287 -6.370 1.00 0.00 C ATOM 1274 O ALA A 93 2.033 0.813 -6.715 1.00 0.00 O ATOM 1275 CB ALA A 93 2.476 -1.849 -8.324 1.00 0.00 C ATOM 0 H ALA A 93 3.766 -3.006 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 93 3.995 -0.427 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.866 -1.131 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.126 -2.379 -9.021 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.828 -2.564 -7.817 1.00 0.00 H new ATOM 1281 N LEU A 94 2.131 -0.832 -5.209 1.00 0.00 N ATOM 1282 CA LEU A 94 1.248 -0.165 -4.263 1.00 0.00 C ATOM 1283 C LEU A 94 1.978 0.832 -3.358 1.00 0.00 C ATOM 1284 O LEU A 94 1.398 1.831 -2.936 1.00 0.00 O ATOM 1285 CB LEU A 94 0.507 -1.196 -3.427 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.318 -2.203 -4.224 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -0.950 -3.216 -3.307 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.376 -1.499 -5.046 1.00 0.00 C ATOM 0 H LEU A 94 2.479 -1.738 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 94 0.536 0.415 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.233 -1.741 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.154 -0.673 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 94 0.352 -2.727 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.534 -3.925 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.171 -3.750 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.604 -2.707 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.952 -2.236 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.042 -0.945 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.897 -0.809 -5.741 1.00 0.00 H new ATOM 1300 N PHE A 95 3.232 0.548 -3.036 1.00 0.00 N ATOM 1301 CA PHE A 95 4.005 1.427 -2.159 1.00 0.00 C ATOM 1302 C PHE A 95 4.644 2.556 -2.954 1.00 0.00 C ATOM 1303 O PHE A 95 4.732 3.683 -2.476 1.00 0.00 O ATOM 1304 CB PHE A 95 5.074 0.626 -1.393 1.00 0.00 C ATOM 1305 CG PHE A 95 5.902 1.448 -0.441 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.341 1.969 0.715 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.244 1.696 -0.700 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.098 2.721 1.593 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.005 2.447 0.175 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.432 2.961 1.323 1.00 0.00 C ATOM 0 H PHE A 95 3.736 -0.276 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 95 3.323 1.868 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.583 -0.170 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.738 0.148 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.299 1.785 0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.698 1.297 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.648 3.121 2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.047 2.632 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.025 3.549 2.008 1.00 0.00 H new ATOM 1320 N ASN A 96 5.076 2.233 -4.175 1.00 0.00 N ATOM 1321 CA ASN A 96 5.714 3.201 -5.078 1.00 0.00 C ATOM 1322 C ASN A 96 7.008 3.756 -4.498 1.00 0.00 C ATOM 1323 O ASN A 96 7.025 4.799 -3.846 1.00 0.00 O ATOM 1324 CB ASN A 96 4.755 4.346 -5.455 1.00 0.00 C ATOM 1325 CG ASN A 96 3.560 3.878 -6.269 1.00 0.00 C ATOM 1326 OD1 ASN A 96 2.464 4.420 -6.149 1.00 0.00 O ATOM 1327 ND2 ASN A 96 3.768 2.892 -7.122 1.00 0.00 N ATOM 0 H ASN A 96 4.995 1.295 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 96 5.965 2.656 -5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.400 4.830 -4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.302 5.098 -6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.005 2.556 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.692 2.466 -7.194 1.00 0.00 H new ATOM 1334 N ALA A 97 8.095 3.043 -4.734 1.00 0.00 N ATOM 1335 CA ALA A 97 9.401 3.465 -4.256 1.00 0.00 C ATOM 1336 C ALA A 97 10.024 4.479 -5.210 1.00 0.00 C ATOM 1337 O ALA A 97 11.018 5.121 -4.886 1.00 0.00 O ATOM 1338 CB ALA A 97 10.315 2.261 -4.088 1.00 0.00 C ATOM 0 H ALA A 97 8.100 2.166 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 97 9.274 3.945 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.290 2.591 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.878 1.570 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.433 1.757 -5.047 1.00 0.00 H new ATOM 1344 N GLY A 98 9.437 4.597 -6.400 1.00 0.00 N ATOM 1345 CA GLY A 98 9.929 5.536 -7.398 1.00 0.00 C ATOM 1346 C GLY A 98 11.090 4.982 -8.202 1.00 0.00 C ATOM 1347 O GLY A 98 11.445 5.524 -9.242 1.00 0.00 O ATOM 0 H GLY A 98 8.624 4.055 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.116 5.799 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.241 6.455 -6.903 1.00 0.00 H new ATOM 1351 N VAL A 99 11.663 3.889 -7.721 1.00 0.00 N ATOM 1352 CA VAL A 99 12.805 3.257 -8.373 1.00 0.00 C ATOM 1353 C VAL A 99 12.331 2.318 -9.494 1.00 0.00 C ATOM 1354 O VAL A 99 13.130 1.700 -10.200 1.00 0.00 O ATOM 1355 CB VAL A 99 13.648 2.455 -7.345 1.00 0.00 C ATOM 1356 CG1 VAL A 99 15.008 2.095 -7.912 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.798 3.236 -6.047 1.00 0.00 C ATOM 0 H VAL A 99 11.353 3.416 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 99 13.426 4.043 -8.803 1.00 0.00 H new ATOM 0 HB VAL A 99 13.118 1.527 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.575 1.534 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.880 1.486 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.548 3.006 -8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.392 2.656 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.297 4.184 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.813 3.427 -5.622 1.00 0.00 H new ATOM 1367 N LEU A 100 11.024 2.237 -9.646 1.00 0.00 N ATOM 1368 CA LEU A 100 10.407 1.390 -10.654 1.00 0.00 C ATOM 1369 C LEU A 100 10.259 2.138 -11.978 1.00 0.00 C ATOM 1370 O LEU A 100 10.620 3.317 -12.073 1.00 0.00 O ATOM 1371 CB LEU A 100 9.046 0.875 -10.145 1.00 0.00 C ATOM 1372 CG LEU A 100 8.169 1.884 -9.363 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.717 3.043 -10.242 1.00 0.00 C ATOM 1374 CD2 LEU A 100 6.969 1.182 -8.750 1.00 0.00 C ATOM 0 H LEU A 100 10.357 2.756 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 100 11.053 0.531 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.474 0.520 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.227 0.013 -9.503 1.00 0.00 H new ATOM 0 HG LEU A 100 8.782 2.300 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.104 3.727 -9.655 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.590 3.573 -10.623 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.133 2.659 -11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.364 1.906 -8.204 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.369 0.730 -9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.312 0.406 -8.065 1.00 0.00 H new ATOM 1386 N ASN A 101 9.719 1.470 -12.993 1.00 0.00 N ATOM 1387 CA ASN A 101 9.562 2.109 -14.288 1.00 0.00 C ATOM 1388 C ASN A 101 8.269 2.912 -14.334 1.00 0.00 C ATOM 1389 O ASN A 101 7.233 2.490 -13.801 1.00 0.00 O ATOM 1390 CB ASN A 101 9.644 1.098 -15.452 1.00 0.00 C ATOM 1391 CG ASN A 101 8.376 0.300 -15.664 1.00 0.00 C ATOM 1392 OD1 ASN A 101 7.482 0.727 -16.390 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.295 -0.864 -15.053 1.00 0.00 N ATOM 0 H ASN A 101 9.390 0.506 -12.944 1.00 0.00 H new ATOM 0 HA ASN A 101 10.397 2.798 -14.418 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.881 1.635 -16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.468 0.409 -15.264 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.467 -1.447 -15.175 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.060 -1.182 -14.458 1.00 0.00 H new ATOM 1400 N ALA A 102 8.335 4.062 -14.969 1.00 0.00 N ATOM 1401 CA ALA A 102 7.219 4.987 -15.018 1.00 0.00 C ATOM 1402 C ALA A 102 6.124 4.539 -15.971 1.00 0.00 C ATOM 1403 O ALA A 102 4.974 4.912 -15.804 1.00 0.00 O ATOM 1404 CB ALA A 102 7.712 6.361 -15.412 1.00 0.00 C ATOM 0 H ALA A 102 9.165 4.384 -15.467 1.00 0.00 H new ATOM 0 HA ALA A 102 6.781 5.015 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.871 7.053 -15.448 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.439 6.711 -14.679 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.183 6.311 -16.394 1.00 0.00 H new ATOM 1410 N SER A 103 6.473 3.718 -16.943 1.00 0.00 N ATOM 1411 CA SER A 103 5.517 3.295 -17.954 1.00 0.00 C ATOM 1412 C SER A 103 4.474 2.387 -17.345 1.00 0.00 C ATOM 1413 O SER A 103 3.306 2.414 -17.717 1.00 0.00 O ATOM 1414 CB SER A 103 6.245 2.600 -19.094 1.00 0.00 C ATOM 1415 OG SER A 103 7.221 3.463 -19.656 1.00 0.00 O ATOM 0 H SER A 103 7.410 3.330 -17.056 1.00 0.00 H new ATOM 0 HA SER A 103 5.007 4.172 -18.353 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.722 1.690 -18.729 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.531 2.300 -19.861 1.00 0.00 H new ATOM 0 HG SER A 103 7.683 3.002 -20.387 1.00 0.00 H new ATOM 1421 N ASN A 104 4.906 1.604 -16.398 1.00 0.00 N ATOM 1422 CA ASN A 104 4.044 0.704 -15.681 1.00 0.00 C ATOM 1423 C ASN A 104 2.936 1.482 -14.960 1.00 0.00 C ATOM 1424 O ASN A 104 1.747 1.204 -15.132 1.00 0.00 O ATOM 1425 CB ASN A 104 4.888 -0.093 -14.689 1.00 0.00 C ATOM 1426 CG ASN A 104 4.080 -1.016 -13.804 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.045 -1.535 -14.203 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.563 -1.234 -12.596 1.00 0.00 N ATOM 0 H ASN A 104 5.880 1.571 -16.097 1.00 0.00 H new ATOM 0 HA ASN A 104 3.562 0.018 -16.378 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.620 -0.683 -15.241 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.446 0.601 -14.061 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.071 -1.855 -11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.429 -0.781 -12.304 1.00 0.00 H new ATOM 1435 N ILE A 105 3.335 2.486 -14.197 1.00 0.00 N ATOM 1436 CA ILE A 105 2.389 3.285 -13.424 1.00 0.00 C ATOM 1437 C ILE A 105 1.651 4.292 -14.285 1.00 0.00 C ATOM 1438 O ILE A 105 0.480 4.574 -14.046 1.00 0.00 O ATOM 1439 CB ILE A 105 3.077 3.972 -12.194 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.143 3.014 -10.991 1.00 0.00 C ATOM 1441 CG2 ILE A 105 2.389 5.274 -11.802 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.034 1.809 -11.200 1.00 0.00 C ATOM 0 H ILE A 105 4.309 2.770 -14.094 1.00 0.00 H new ATOM 0 HA ILE A 105 1.641 2.594 -13.034 1.00 0.00 H new ATOM 0 HB ILE A 105 4.094 4.219 -12.499 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.498 3.567 -10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.135 2.670 -10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.901 5.713 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.422 5.970 -12.640 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.351 5.072 -11.539 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.022 1.188 -10.304 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.669 1.229 -12.048 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.053 2.140 -11.399 1.00 0.00 H new ATOM 1454 N ASP A 106 2.303 4.817 -15.281 1.00 0.00 N ATOM 1455 CA ASP A 106 1.635 5.731 -16.178 1.00 0.00 C ATOM 1456 C ASP A 106 0.517 5.011 -16.915 1.00 0.00 C ATOM 1457 O ASP A 106 -0.622 5.451 -16.907 1.00 0.00 O ATOM 1458 CB ASP A 106 2.620 6.343 -17.177 1.00 0.00 C ATOM 1459 CG ASP A 106 1.931 7.179 -18.239 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.396 8.253 -17.902 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.928 6.763 -19.417 1.00 0.00 O ATOM 0 H ASP A 106 3.283 4.635 -15.496 1.00 0.00 H new ATOM 0 HA ASP A 106 1.210 6.541 -15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.337 6.964 -16.640 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.186 5.545 -17.658 1.00 0.00 H new ATOM 1466 N THR A 107 0.839 3.850 -17.460 1.00 0.00 N ATOM 1467 CA THR A 107 -0.092 3.111 -18.300 1.00 0.00 C ATOM 1468 C THR A 107 -1.229 2.458 -17.511 1.00 0.00 C ATOM 1469 O THR A 107 -2.392 2.703 -17.787 1.00 0.00 O ATOM 1470 CB THR A 107 0.637 2.048 -19.144 1.00 0.00 C ATOM 1471 OG1 THR A 107 1.549 2.692 -20.043 1.00 0.00 O ATOM 1472 CG2 THR A 107 -0.350 1.196 -19.937 1.00 0.00 C ATOM 0 H THR A 107 1.744 3.396 -17.335 1.00 0.00 H new ATOM 0 HA THR A 107 -0.541 3.851 -18.962 1.00 0.00 H new ATOM 0 HB THR A 107 1.184 1.391 -18.467 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.418 2.804 -19.603 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.196 0.456 -20.522 1.00 0.00 H new ATOM 0 HG22 THR A 107 -1.026 0.688 -19.250 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.926 1.835 -20.607 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.906 1.632 -16.540 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.956 0.933 -15.820 1.00 0.00 C ATOM 1482 C LEU A 108 -2.232 1.557 -14.471 1.00 0.00 C ATOM 1483 O LEU A 108 -3.325 1.424 -13.933 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.627 -0.558 -15.692 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.423 -0.936 -14.809 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.805 -0.991 -13.326 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.156 -2.259 -15.255 1.00 0.00 C ATOM 0 H LEU A 108 0.046 1.429 -16.234 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.872 1.029 -16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.508 -1.067 -15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.450 -0.953 -16.692 1.00 0.00 H new ATOM 0 HG LEU A 108 0.333 -0.159 -14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.070 -1.261 -12.735 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.171 -0.015 -13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.586 -1.737 -13.179 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.006 -2.515 -14.623 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.605 -3.035 -15.172 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.484 -2.182 -16.292 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.256 2.241 -13.933 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.428 2.854 -12.645 1.00 0.00 C ATOM 1501 C GLY A 109 -2.474 3.946 -12.665 1.00 0.00 C ATOM 1502 O GLY A 109 -3.530 3.821 -12.048 1.00 0.00 O ATOM 0 H GLY A 109 -0.342 2.386 -14.363 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.714 2.094 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.477 3.271 -12.313 1.00 0.00 H new ATOM 1506 N SER A 110 -2.187 5.005 -13.384 1.00 0.00 N ATOM 1507 CA SER A 110 -3.076 6.144 -13.461 1.00 0.00 C ATOM 1508 C SER A 110 -4.400 5.792 -14.153 1.00 0.00 C ATOM 1509 O SER A 110 -5.429 6.398 -13.873 1.00 0.00 O ATOM 1510 CB SER A 110 -2.389 7.280 -14.208 1.00 0.00 C ATOM 1511 OG SER A 110 -1.092 7.519 -13.684 1.00 0.00 O ATOM 0 H SER A 110 -1.332 5.103 -13.932 1.00 0.00 H new ATOM 0 HA SER A 110 -3.309 6.455 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.318 7.033 -15.267 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.989 8.187 -14.131 1.00 0.00 H new ATOM 0 HG SER A 110 -0.669 8.251 -14.179 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.361 4.809 -15.048 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.552 4.419 -15.805 1.00 0.00 C ATOM 1519 C ARG A 111 -6.414 3.391 -15.065 1.00 0.00 C ATOM 1520 O ARG A 111 -7.601 3.608 -14.850 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.177 3.851 -17.178 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.863 4.885 -18.256 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.459 5.475 -18.132 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.102 6.206 -19.363 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.118 7.108 -19.485 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.357 7.416 -18.453 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -1.901 7.689 -20.654 1.00 0.00 N ATOM 0 H ARG A 111 -3.524 4.269 -15.268 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.135 5.332 -15.928 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.309 3.202 -17.058 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.997 3.225 -17.529 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.970 4.422 -19.237 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.595 5.691 -18.202 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.414 6.147 -17.275 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.737 4.679 -17.951 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.654 6.007 -20.197 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.514 6.966 -17.551 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.611 8.104 -18.557 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.482 7.450 -21.458 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.153 8.376 -20.751 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.812 2.281 -14.684 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.553 1.178 -14.074 1.00 0.00 C ATOM 1543 C VAL A 112 -6.758 1.385 -12.578 1.00 0.00 C ATOM 1544 O VAL A 112 -7.871 1.247 -12.072 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.847 -0.184 -14.321 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.627 -1.331 -13.684 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.668 -0.428 -15.815 1.00 0.00 C ATOM 0 H VAL A 112 -4.811 2.113 -14.783 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.532 1.162 -14.554 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.864 -0.143 -13.853 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.110 -2.272 -13.873 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.702 -1.167 -12.609 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.627 -1.374 -14.115 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.172 -1.386 -15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.644 -0.441 -16.301 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.060 0.369 -16.244 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.691 1.719 -11.873 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.773 1.908 -10.431 1.00 0.00 C ATOM 1559 C LEU A 113 -6.520 3.201 -10.113 1.00 0.00 C ATOM 1560 O LEU A 113 -7.349 3.240 -9.202 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.375 1.930 -9.804 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.392 0.877 -10.324 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -2.032 1.037 -9.664 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -3.925 -0.518 -10.097 1.00 0.00 C ATOM 0 H LEU A 113 -4.763 1.865 -12.270 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.323 1.069 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.940 2.916 -9.967 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.479 1.801 -8.727 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.276 1.029 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.350 0.279 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.635 2.028 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.135 0.919 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.208 -1.247 -10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.079 -0.680 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.873 -0.635 -10.622 1.00 0.00 H new ATOM 1576 N SER A 114 -6.201 4.252 -10.875 1.00 0.00 N ATOM 1577 CA SER A 114 -6.854 5.563 -10.773 1.00 0.00 C ATOM 1578 C SER A 114 -6.959 6.088 -9.332 1.00 0.00 C ATOM 1579 O SER A 114 -6.006 6.672 -8.806 1.00 0.00 O ATOM 1580 CB SER A 114 -8.235 5.528 -11.437 1.00 0.00 C ATOM 1581 OG SER A 114 -8.126 5.365 -12.840 1.00 0.00 O ATOM 0 H SER A 114 -5.473 4.217 -11.589 1.00 0.00 H new ATOM 0 HA SER A 114 -6.212 6.266 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.822 4.711 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.771 6.451 -11.216 1.00 0.00 H new ATOM 0 HG SER A 114 -7.874 4.440 -13.043 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.114 5.837 -8.697 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.407 6.318 -7.345 1.00 0.00 C ATOM 1589 C ALA A 115 -7.325 5.923 -6.352 1.00 0.00 C ATOM 1590 O ALA A 115 -7.036 6.663 -5.410 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.760 5.794 -6.887 1.00 0.00 C ATOM 0 H ALA A 115 -8.871 5.293 -9.111 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.433 7.407 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.969 6.157 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.536 6.145 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.746 4.704 -6.884 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.727 4.762 -6.567 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.673 4.290 -5.696 1.00 0.00 C ATOM 1599 C LEU A 116 -4.491 5.238 -5.731 1.00 0.00 C ATOM 1600 O LEU A 116 -4.051 5.725 -4.693 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.221 2.892 -6.098 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.039 2.330 -5.305 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.413 2.137 -3.847 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -3.552 1.028 -5.909 1.00 0.00 C ATOM 0 H LEU A 116 -6.956 4.133 -7.337 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.070 4.251 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.065 2.211 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.954 2.905 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.225 3.053 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.558 1.737 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.702 3.095 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.248 1.440 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.712 0.649 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.360 0.297 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.233 1.201 -6.937 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.998 5.520 -6.931 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.842 6.377 -7.083 1.00 0.00 C ATOM 1618 C LEU A 117 -3.139 7.799 -6.664 1.00 0.00 C ATOM 1619 O LEU A 117 -2.250 8.506 -6.220 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.285 6.337 -8.500 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.671 5.002 -8.933 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.795 5.200 -10.147 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.875 4.364 -7.797 1.00 0.00 C ATOM 0 H LEU A 117 -4.383 5.166 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.075 5.985 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.087 6.589 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.526 7.113 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.484 4.324 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.364 4.244 -10.445 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.393 5.600 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.006 5.900 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.452 3.418 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.070 5.034 -7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.534 4.183 -6.948 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.392 8.209 -6.790 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.792 9.549 -6.370 1.00 0.00 C ATOM 1637 C ASN A 118 -4.506 9.738 -4.884 1.00 0.00 C ATOM 1638 O ASN A 118 -3.962 10.761 -4.469 1.00 0.00 O ATOM 1639 CB ASN A 118 -6.280 9.800 -6.658 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.631 9.732 -8.142 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -7.746 9.352 -8.508 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.694 10.098 -9.002 1.00 0.00 N ATOM 0 H ASN A 118 -5.146 7.641 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.211 10.272 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.876 9.065 -6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.557 10.781 -6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.883 10.071 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.783 10.407 -8.663 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.846 8.726 -4.094 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.593 8.782 -2.670 1.00 0.00 C ATOM 1651 C GLY A 119 -3.147 8.471 -2.338 1.00 0.00 C ATOM 1652 O GLY A 119 -2.598 8.990 -1.368 1.00 0.00 O ATOM 0 H GLY A 119 -5.293 7.868 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.846 9.774 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.243 8.073 -2.158 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.530 7.619 -3.142 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.134 7.253 -2.938 1.00 0.00 C ATOM 1658 C VAL A 120 -0.202 8.437 -3.219 1.00 0.00 C ATOM 1659 O VAL A 120 0.774 8.647 -2.499 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.719 6.042 -3.821 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.782 5.805 -3.748 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.467 4.786 -3.390 1.00 0.00 C ATOM 0 H VAL A 120 -2.973 7.167 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.037 6.965 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.982 6.273 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.047 4.953 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.308 6.692 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 120 1.068 5.600 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.164 3.949 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.233 4.562 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.540 4.948 -3.493 1.00 0.00 H new ATOM 1672 N SER A 121 -0.526 9.214 -4.250 1.00 0.00 N ATOM 1673 CA SER A 121 0.290 10.359 -4.653 1.00 0.00 C ATOM 1674 C SER A 121 0.464 11.362 -3.514 1.00 0.00 C ATOM 1675 O SER A 121 1.555 11.884 -3.303 1.00 0.00 O ATOM 1676 CB SER A 121 -0.322 11.052 -5.873 1.00 0.00 C ATOM 1677 OG SER A 121 -0.380 10.172 -6.986 1.00 0.00 O ATOM 0 H SER A 121 -1.355 9.070 -4.826 1.00 0.00 H new ATOM 0 HA SER A 121 1.277 9.977 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 121 -1.325 11.403 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.269 11.931 -6.131 1.00 0.00 H new ATOM 0 HG SER A 121 -1.057 9.483 -6.823 1.00 0.00 H new ATOM 1683 N SER A 122 -0.603 11.622 -2.786 1.00 0.00 N ATOM 1684 CA SER A 122 -0.556 12.569 -1.695 1.00 0.00 C ATOM 1685 C SER A 122 -0.037 11.929 -0.401 1.00 0.00 C ATOM 1686 O SER A 122 0.733 12.545 0.342 1.00 0.00 O ATOM 1687 CB SER A 122 -1.944 13.178 -1.484 1.00 0.00 C ATOM 1688 OG SER A 122 -2.951 12.173 -1.527 1.00 0.00 O ATOM 0 H SER A 122 -1.515 11.189 -2.932 1.00 0.00 H new ATOM 0 HA SER A 122 0.148 13.358 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.978 13.692 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.138 13.926 -2.253 1.00 0.00 H new ATOM 0 HG SER A 122 -3.830 12.584 -1.388 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.447 10.693 -0.148 1.00 0.00 N ATOM 1695 CA ALA A 123 -0.080 10.003 1.080 1.00 0.00 C ATOM 1696 C ALA A 123 1.298 9.327 1.003 1.00 0.00 C ATOM 1697 O ALA A 123 2.293 9.872 1.483 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.151 8.984 1.449 1.00 0.00 C ATOM 0 H ALA A 123 -1.035 10.148 -0.778 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.010 10.762 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.866 8.474 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.103 9.494 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.251 8.254 0.646 1.00 0.00 H new ATOM 1704 N ALA A 124 1.345 8.147 0.386 1.00 0.00 N ATOM 1705 CA ALA A 124 2.569 7.340 0.332 1.00 0.00 C ATOM 1706 C ALA A 124 3.679 8.030 -0.447 1.00 0.00 C ATOM 1707 O ALA A 124 4.769 8.235 0.073 1.00 0.00 O ATOM 1708 CB ALA A 124 2.276 5.965 -0.255 1.00 0.00 C ATOM 0 H ALA A 124 0.546 7.724 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 124 2.923 7.220 1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.195 5.380 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.542 5.453 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.881 6.077 -1.265 1.00 0.00 H new ATOM 1714 N GLN A 125 3.391 8.395 -1.682 1.00 0.00 N ATOM 1715 CA GLN A 125 4.372 9.049 -2.530 1.00 0.00 C ATOM 1716 C GLN A 125 4.661 10.466 -2.047 1.00 0.00 C ATOM 1717 O GLN A 125 5.761 10.984 -2.238 1.00 0.00 O ATOM 1718 CB GLN A 125 3.877 9.115 -3.973 1.00 0.00 C ATOM 1719 CG GLN A 125 3.909 7.808 -4.733 1.00 0.00 C ATOM 1720 CD GLN A 125 3.571 8.013 -6.199 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.866 9.064 -6.771 1.00 0.00 O ATOM 1722 NE2 GLN A 125 2.951 7.031 -6.812 1.00 0.00 N ATOM 0 H GLN A 125 2.483 8.249 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 125 5.287 8.459 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.853 9.489 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.481 9.844 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 125 4.898 7.358 -4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 125 3.200 7.109 -4.289 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.724 6.176 -6.305 1.00 0.00 H new ATOM 0 HE22 GLN A 125 2.697 7.123 -7.796 1.00 0.00 H new ATOM 1731 N GLY A 126 3.671 11.079 -1.425 1.00 0.00 N ATOM 1732 CA GLY A 126 3.793 12.457 -1.004 1.00 0.00 C ATOM 1733 C GLY A 126 4.613 12.651 0.254 1.00 0.00 C ATOM 1734 O GLY A 126 5.682 13.267 0.218 1.00 0.00 O ATOM 0 H GLY A 126 2.776 10.643 -1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.245 13.033 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.796 12.865 -0.841 1.00 0.00 H new ATOM 1738 N LEU A 127 4.129 12.129 1.361 1.00 0.00 N ATOM 1739 CA LEU A 127 4.787 12.348 2.641 1.00 0.00 C ATOM 1740 C LEU A 127 5.553 11.118 3.095 1.00 0.00 C ATOM 1741 O LEU A 127 6.511 11.218 3.863 1.00 0.00 O ATOM 1742 CB LEU A 127 3.746 12.729 3.701 1.00 0.00 C ATOM 1743 CG LEU A 127 2.834 13.913 3.350 1.00 0.00 C ATOM 1744 CD1 LEU A 127 1.829 14.166 4.465 1.00 0.00 C ATOM 1745 CD2 LEU A 127 3.655 15.167 3.076 1.00 0.00 C ATOM 0 H LEU A 127 3.288 11.553 1.406 1.00 0.00 H new ATOM 0 HA LEU A 127 5.502 13.161 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.120 11.859 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.269 12.961 4.629 1.00 0.00 H new ATOM 0 HG LEU A 127 2.285 13.660 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.192 15.009 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.214 13.278 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.360 14.393 5.389 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.987 15.992 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.236 15.422 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.330 14.984 2.240 1.00 0.00 H new ATOM 1757 N GLY A 128 5.151 9.969 2.603 1.00 0.00 N ATOM 1758 CA GLY A 128 5.760 8.738 3.040 1.00 0.00 C ATOM 1759 C GLY A 128 5.020 8.190 4.232 1.00 0.00 C ATOM 1760 O GLY A 128 5.238 8.621 5.364 1.00 0.00 O ATOM 0 H GLY A 128 4.413 9.863 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.749 8.010 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.805 8.912 3.299 1.00 0.00 H new ATOM 1764 N ILE A 129 4.134 7.257 3.980 1.00 0.00 N ATOM 1765 CA ILE A 129 3.290 6.713 5.022 1.00 0.00 C ATOM 1766 C ILE A 129 4.023 5.751 5.944 1.00 0.00 C ATOM 1767 O ILE A 129 4.680 4.809 5.503 1.00 0.00 O ATOM 1768 CB ILE A 129 2.035 6.024 4.437 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.113 7.051 3.771 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.286 5.244 5.506 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.680 8.180 4.691 1.00 0.00 C ATOM 0 H ILE A 129 3.976 6.855 3.056 1.00 0.00 H new ATOM 0 HA ILE A 129 2.981 7.569 5.622 1.00 0.00 H new ATOM 0 HB ILE A 129 2.367 5.316 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.623 7.476 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.226 6.540 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.409 4.771 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.940 4.478 5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.971 5.923 6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.030 8.864 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.140 7.768 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.559 8.719 5.045 1.00 0.00 H new ATOM 1783 N ASN A 130 3.882 6.011 7.222 1.00 0.00 N ATOM 1784 CA ASN A 130 4.421 5.173 8.275 1.00 0.00 C ATOM 1785 C ASN A 130 3.296 4.851 9.238 1.00 0.00 C ATOM 1786 O ASN A 130 2.548 5.743 9.639 1.00 0.00 O ATOM 1787 CB ASN A 130 5.558 5.886 9.019 1.00 0.00 C ATOM 1788 CG ASN A 130 6.104 5.066 10.185 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.130 3.833 10.142 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.525 5.745 11.237 1.00 0.00 N ATOM 0 H ASN A 130 3.379 6.828 7.570 1.00 0.00 H new ATOM 0 HA ASN A 130 4.831 4.261 7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.367 6.099 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.198 6.845 9.392 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.888 5.250 12.052 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.487 6.764 11.235 1.00 0.00 H new ATOM 1797 N VAL A 131 3.150 3.595 9.589 1.00 0.00 N ATOM 1798 CA VAL A 131 2.077 3.197 10.464 1.00 0.00 C ATOM 1799 C VAL A 131 2.580 2.930 11.872 1.00 0.00 C ATOM 1800 O VAL A 131 3.389 2.028 12.107 1.00 0.00 O ATOM 1801 CB VAL A 131 1.338 1.957 9.943 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.122 1.655 10.803 1.00 0.00 C ATOM 1803 CG2 VAL A 131 0.940 2.136 8.487 1.00 0.00 C ATOM 0 H VAL A 131 3.758 2.836 9.283 1.00 0.00 H new ATOM 0 HA VAL A 131 1.376 4.031 10.487 1.00 0.00 H new ATOM 0 HB VAL A 131 2.017 1.107 10.004 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.387 0.772 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.439 1.470 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.559 2.506 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.418 1.244 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.283 3.001 8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.833 2.292 7.882 1.00 0.00 H new ATOM 1813 N ASP A 132 2.075 3.702 12.796 1.00 0.00 N ATOM 1814 CA ASP A 132 2.450 3.596 14.204 1.00 0.00 C ATOM 1815 C ASP A 132 1.430 2.772 14.963 1.00 0.00 C ATOM 1816 O ASP A 132 1.036 3.119 16.075 1.00 0.00 O ATOM 1817 CB ASP A 132 2.549 4.976 14.854 1.00 0.00 C ATOM 1818 CG ASP A 132 3.723 5.799 14.368 1.00 0.00 C ATOM 1819 OD1 ASP A 132 3.567 6.545 13.379 1.00 0.00 O ATOM 1820 OD2 ASP A 132 4.798 5.727 14.991 1.00 0.00 O ATOM 0 H ASP A 132 1.387 4.430 12.605 1.00 0.00 H new ATOM 0 HA ASP A 132 3.425 3.110 14.246 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.628 5.525 14.660 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.626 4.854 15.934 1.00 0.00 H new ATOM 1825 N SER A 133 1.017 1.671 14.380 1.00 0.00 N ATOM 1826 CA SER A 133 0.032 0.812 15.004 1.00 0.00 C ATOM 1827 C SER A 133 0.662 -0.055 16.087 1.00 0.00 C ATOM 1828 O SER A 133 -0.010 -0.875 16.708 1.00 0.00 O ATOM 1829 CB SER A 133 -0.632 -0.064 13.954 1.00 0.00 C ATOM 1830 OG SER A 133 0.339 -0.717 13.145 1.00 0.00 O ATOM 0 H SER A 133 1.348 1.346 13.471 1.00 0.00 H new ATOM 0 HA SER A 133 -0.721 1.445 15.475 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.263 -0.807 14.442 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.283 0.545 13.327 1.00 0.00 H new ATOM 0 HG SER A 133 0.457 -1.639 13.455 1.00 0.00 H new ATOM 1836 N GLY A 134 1.957 0.121 16.299 1.00 0.00 N ATOM 1837 CA GLY A 134 2.659 -0.662 17.283 1.00 0.00 C ATOM 1838 C GLY A 134 3.227 -1.923 16.685 1.00 0.00 C ATOM 1839 O GLY A 134 4.174 -2.504 17.211 1.00 0.00 O ATOM 0 H GLY A 134 2.534 0.798 15.801 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.465 -0.068 17.714 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.981 -0.918 18.097 1.00 0.00 H new ATOM 1843 N SER A 135 2.658 -2.342 15.574 1.00 0.00 N ATOM 1844 CA SER A 135 3.095 -3.557 14.916 1.00 0.00 C ATOM 1845 C SER A 135 3.889 -3.248 13.658 1.00 0.00 C ATOM 1846 O SER A 135 5.053 -3.601 13.562 1.00 0.00 O ATOM 1847 CB SER A 135 1.896 -4.455 14.577 1.00 0.00 C ATOM 1848 OG SER A 135 2.315 -5.710 14.049 1.00 0.00 O ATOM 0 H SER A 135 1.891 -1.859 15.107 1.00 0.00 H new ATOM 0 HA SER A 135 3.747 -4.089 15.609 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.298 -4.618 15.473 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.256 -3.950 13.854 1.00 0.00 H new ATOM 0 HG SER A 135 3.266 -5.666 13.815 1.00 0.00 H new ATOM 1854 N VAL A 136 3.260 -2.531 12.721 1.00 0.00 N ATOM 1855 CA VAL A 136 3.854 -2.263 11.407 1.00 0.00 C ATOM 1856 C VAL A 136 5.267 -1.713 11.522 1.00 0.00 C ATOM 1857 O VAL A 136 6.194 -2.241 10.919 1.00 0.00 O ATOM 1858 CB VAL A 136 2.984 -1.287 10.581 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.617 -1.019 9.220 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.579 -1.846 10.408 1.00 0.00 C ATOM 0 H VAL A 136 2.334 -2.124 12.850 1.00 0.00 H new ATOM 0 HA VAL A 136 3.899 -3.221 10.890 1.00 0.00 H new ATOM 0 HB VAL A 136 2.921 -0.343 11.123 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.988 -0.330 8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.605 -0.579 9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 136 3.711 -1.956 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.979 -1.148 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.630 -2.803 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.121 -1.988 11.387 1.00 0.00 H new ATOM 1870 N GLN A 137 5.424 -0.672 12.316 1.00 0.00 N ATOM 1871 CA GLN A 137 6.716 -0.044 12.507 1.00 0.00 C ATOM 1872 C GLN A 137 7.717 -1.016 13.119 1.00 0.00 C ATOM 1873 O GLN A 137 8.854 -1.099 12.676 1.00 0.00 O ATOM 1874 CB GLN A 137 6.561 1.175 13.381 1.00 0.00 C ATOM 1875 CG GLN A 137 7.819 2.010 13.531 1.00 0.00 C ATOM 1876 CD GLN A 137 7.544 3.302 14.256 1.00 0.00 C ATOM 1877 OE1 GLN A 137 8.403 3.841 14.950 1.00 0.00 O ATOM 1878 NE2 GLN A 137 6.335 3.804 14.099 1.00 0.00 N ATOM 0 H GLN A 137 4.665 -0.240 12.843 1.00 0.00 H new ATOM 0 HA GLN A 137 7.103 0.257 11.533 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.771 1.803 12.969 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.232 0.857 14.370 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.572 1.440 14.075 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.233 2.226 12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 137 5.654 3.321 13.513 1.00 0.00 H new ATOM 0 HE22 GLN A 137 6.080 4.675 14.564 1.00 0.00 H new ATOM 1887 N SER A 138 7.280 -1.752 14.127 1.00 0.00 N ATOM 1888 CA SER A 138 8.132 -2.726 14.792 1.00 0.00 C ATOM 1889 C SER A 138 8.595 -3.794 13.797 1.00 0.00 C ATOM 1890 O SER A 138 9.787 -4.126 13.727 1.00 0.00 O ATOM 1891 CB SER A 138 7.370 -3.379 15.947 1.00 0.00 C ATOM 1892 OG SER A 138 6.812 -2.395 16.811 1.00 0.00 O ATOM 0 H SER A 138 6.335 -1.693 14.505 1.00 0.00 H new ATOM 0 HA SER A 138 9.010 -2.215 15.187 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.576 -4.013 15.551 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.042 -4.025 16.512 1.00 0.00 H new ATOM 0 HG SER A 138 5.913 -2.672 17.085 1.00 0.00 H new ATOM 1898 N ASP A 139 7.647 -4.304 13.018 1.00 0.00 N ATOM 1899 CA ASP A 139 7.917 -5.334 12.024 1.00 0.00 C ATOM 1900 C ASP A 139 8.873 -4.838 10.950 1.00 0.00 C ATOM 1901 O ASP A 139 9.881 -5.484 10.657 1.00 0.00 O ATOM 1902 CB ASP A 139 6.612 -5.818 11.367 1.00 0.00 C ATOM 1903 CG ASP A 139 5.775 -6.713 12.266 1.00 0.00 C ATOM 1904 OD1 ASP A 139 6.120 -7.912 12.404 1.00 0.00 O ATOM 1905 OD2 ASP A 139 4.752 -6.240 12.815 1.00 0.00 O ATOM 0 H ASP A 139 6.670 -4.014 13.059 1.00 0.00 H new ATOM 0 HA ASP A 139 8.386 -6.168 12.547 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.018 -4.951 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 139 6.854 -6.360 10.453 1.00 0.00 H new ATOM 1910 N ILE A 140 8.570 -3.687 10.366 1.00 0.00 N ATOM 1911 CA ILE A 140 9.391 -3.157 9.289 1.00 0.00 C ATOM 1912 C ILE A 140 10.761 -2.699 9.780 1.00 0.00 C ATOM 1913 O ILE A 140 11.755 -2.904 9.097 1.00 0.00 O ATOM 1914 CB ILE A 140 8.700 -2.006 8.506 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.437 -0.798 9.415 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.404 -2.502 7.875 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.841 0.397 8.699 1.00 0.00 C ATOM 0 H ILE A 140 7.769 -3.108 10.618 1.00 0.00 H new ATOM 0 HA ILE A 140 9.528 -3.991 8.600 1.00 0.00 H new ATOM 0 HB ILE A 140 9.372 -1.681 7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 140 7.764 -1.100 10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.375 -0.497 9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 140 6.930 -1.686 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.623 -3.319 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 140 6.731 -2.856 8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.686 1.208 9.411 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.522 0.728 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 140 6.886 0.116 8.255 1.00 0.00 H new ATOM 1929 N SER A 141 10.816 -2.101 10.967 1.00 0.00 N ATOM 1930 CA SER A 141 12.075 -1.600 11.504 1.00 0.00 C ATOM 1931 C SER A 141 13.072 -2.736 11.735 1.00 0.00 C ATOM 1932 O SER A 141 14.196 -2.688 11.242 1.00 0.00 O ATOM 1933 CB SER A 141 11.844 -0.816 12.804 1.00 0.00 C ATOM 1934 OG SER A 141 13.039 -0.188 13.244 1.00 0.00 O ATOM 0 H SER A 141 10.008 -1.953 11.571 1.00 0.00 H new ATOM 0 HA SER A 141 12.501 -0.922 10.764 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.072 -0.063 12.646 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.478 -1.490 13.578 1.00 0.00 H new ATOM 0 HG SER A 141 12.863 0.306 14.072 1.00 0.00 H new ATOM 1940 N SER A 142 12.647 -3.768 12.454 1.00 0.00 N ATOM 1941 CA SER A 142 13.519 -4.896 12.752 1.00 0.00 C ATOM 1942 C SER A 142 13.942 -5.615 11.470 1.00 0.00 C ATOM 1943 O SER A 142 15.119 -5.955 11.287 1.00 0.00 O ATOM 1944 CB SER A 142 12.819 -5.863 13.707 1.00 0.00 C ATOM 1945 OG SER A 142 11.528 -6.201 13.226 1.00 0.00 O ATOM 0 H SER A 142 11.706 -3.847 12.840 1.00 0.00 H new ATOM 0 HA SER A 142 14.420 -4.517 13.235 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.418 -6.767 13.820 1.00 0.00 H new ATOM 0 HB3 SER A 142 12.737 -5.410 14.695 1.00 0.00 H new ATOM 0 HG SER A 142 10.892 -5.499 13.476 1.00 0.00 H new ATOM 1951 N SER A 143 12.986 -5.813 10.577 1.00 0.00 N ATOM 1952 CA SER A 143 13.238 -6.483 9.319 1.00 0.00 C ATOM 1953 C SER A 143 14.192 -5.667 8.433 1.00 0.00 C ATOM 1954 O SER A 143 15.075 -6.223 7.797 1.00 0.00 O ATOM 1955 CB SER A 143 11.918 -6.742 8.594 1.00 0.00 C ATOM 1956 OG SER A 143 12.110 -7.523 7.427 1.00 0.00 O ATOM 0 H SER A 143 12.019 -5.514 10.706 1.00 0.00 H new ATOM 0 HA SER A 143 13.721 -7.437 9.530 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.227 -7.253 9.265 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.457 -5.792 8.325 1.00 0.00 H new ATOM 0 HG SER A 143 13.065 -7.554 7.208 1.00 0.00 H new ATOM 1962 N SER A 144 14.018 -4.358 8.407 1.00 0.00 N ATOM 1963 CA SER A 144 14.875 -3.492 7.600 1.00 0.00 C ATOM 1964 C SER A 144 16.228 -3.277 8.278 1.00 0.00 C ATOM 1965 O SER A 144 17.195 -2.867 7.647 1.00 0.00 O ATOM 1966 CB SER A 144 14.193 -2.154 7.315 1.00 0.00 C ATOM 1967 OG SER A 144 12.900 -2.355 6.773 1.00 0.00 O ATOM 0 H SER A 144 13.294 -3.867 8.932 1.00 0.00 H new ATOM 0 HA SER A 144 15.049 -3.991 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.121 -1.574 8.235 1.00 0.00 H new ATOM 0 HB3 SER A 144 14.798 -1.573 6.619 1.00 0.00 H new ATOM 0 HG SER A 144 12.313 -2.736 7.459 1.00 0.00 H new