USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 651 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= 1.06 K(o=2.3,f=-0.76) USER MOD Set 2.2: A 79 THR OG1 : rot 96:sc= 1.08 USER MOD Set 2.3: A 89 THR OG1 : rot -149:sc= 0.155 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 13 SER OG : rot -7:sc= 0.38 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 105:sc= 1.24 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -12:sc= 0.873 USER MOD Single : A 40 THR OG1 : rot -130:sc= 0.538 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -174:sc= 0.886 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.00417 USER MOD Single : A 76 SER OG : rot -18:sc= 1.21 USER MOD Single : A 82 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.13) USER MOD Single : A 86 SER OG : rot -140:sc= -0.527 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 128:sc= 1.19 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 94 GLN : amide:sc=-0.00784 K(o=-0.0078,f=-1.3) USER MOD Single : A 95 THR OG1 : rot 39:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.532 7.076 2.129 1.00 0.00 N ATOM 78 CA VAL A 6 -13.382 7.901 1.799 1.00 0.00 C ATOM 79 C VAL A 6 -13.004 7.567 0.344 1.00 0.00 C ATOM 80 O VAL A 6 -13.093 6.401 -0.055 1.00 0.00 O ATOM 81 CB VAL A 6 -12.229 7.623 2.800 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.069 8.609 2.628 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.647 7.712 4.279 1.00 0.00 C ATOM 0 HA VAL A 6 -13.600 8.966 1.879 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.931 6.602 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.285 8.377 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.669 8.527 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.427 9.625 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.785 7.505 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.022 8.713 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.430 6.981 4.480 1.00 0.00 H new ATOM 93 N PRO A 7 -12.597 8.538 -0.491 1.00 0.00 N ATOM 94 CA PRO A 7 -12.000 8.250 -1.788 1.00 0.00 C ATOM 95 C PRO A 7 -10.606 7.648 -1.579 1.00 0.00 C ATOM 96 O PRO A 7 -9.670 8.355 -1.200 1.00 0.00 O ATOM 97 CB PRO A 7 -11.999 9.573 -2.556 1.00 0.00 C ATOM 98 CG PRO A 7 -12.040 10.647 -1.472 1.00 0.00 C ATOM 99 CD PRO A 7 -12.704 9.971 -0.273 1.00 0.00 C ATOM 0 HA PRO A 7 -12.552 7.510 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.109 9.670 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.860 9.647 -3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.038 10.996 -1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.609 11.517 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.212 10.259 0.656 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.748 10.273 -0.187 1.00 0.00 H new ATOM 107 N GLN A 8 -10.465 6.338 -1.788 1.00 0.00 N ATOM 108 CA GLN A 8 -9.194 5.656 -1.929 1.00 0.00 C ATOM 109 C GLN A 8 -8.351 6.144 -3.091 1.00 0.00 C ATOM 110 O GLN A 8 -8.813 6.839 -4.002 1.00 0.00 O ATOM 111 CB GLN A 8 -9.410 4.133 -2.044 1.00 0.00 C ATOM 112 CG GLN A 8 -9.197 3.371 -0.736 1.00 0.00 C ATOM 113 CD GLN A 8 -7.695 3.260 -0.467 1.00 0.00 C ATOM 114 OE1 GLN A 8 -7.121 3.980 0.349 1.00 0.00 O ATOM 115 NE2 GLN A 8 -6.988 2.475 -1.260 1.00 0.00 N ATOM 0 H GLN A 8 -11.264 5.709 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.633 5.893 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.423 3.947 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.730 3.736 -2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.690 3.889 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.643 2.378 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.460 1.877 -1.938 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.970 2.467 -1.194 1.00 0.00 H new ATOM 124 N LEU A 9 -7.114 5.651 -3.063 1.00 0.00 N ATOM 125 CA LEU A 9 -6.150 5.634 -4.140 1.00 0.00 C ATOM 126 C LEU A 9 -6.624 4.709 -5.251 1.00 0.00 C ATOM 127 O LEU A 9 -6.063 3.645 -5.488 1.00 0.00 O ATOM 128 CB LEU A 9 -4.792 5.184 -3.582 1.00 0.00 C ATOM 129 CG LEU A 9 -4.182 6.167 -2.573 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.882 5.574 -2.029 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.964 7.537 -3.227 1.00 0.00 C ATOM 0 H LEU A 9 -6.740 5.222 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.044 6.632 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.910 4.212 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.096 5.049 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.865 6.322 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.440 6.264 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.093 4.625 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.185 5.410 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.531 8.223 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.286 7.432 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.919 7.931 -3.573 1.00 0.00 H new ATOM 143 N THR A 10 -7.651 5.124 -5.969 1.00 0.00 N ATOM 144 CA THR A 10 -8.029 4.548 -7.251 1.00 0.00 C ATOM 145 C THR A 10 -6.827 4.462 -8.220 1.00 0.00 C ATOM 146 O THR A 10 -6.802 3.552 -9.050 1.00 0.00 O ATOM 147 CB THR A 10 -9.195 5.389 -7.792 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.193 5.458 -6.790 1.00 0.00 O ATOM 149 CG2 THR A 10 -9.821 4.819 -9.060 1.00 0.00 C ATOM 0 H THR A 10 -8.260 5.887 -5.673 1.00 0.00 H new ATOM 0 HA THR A 10 -8.353 3.514 -7.137 1.00 0.00 H new ATOM 0 HB THR A 10 -8.794 6.370 -8.048 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.947 5.993 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.637 5.464 -9.385 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.067 4.765 -9.845 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.207 3.820 -8.858 1.00 0.00 H new ATOM 157 N ASP A 11 -5.809 5.327 -8.097 1.00 0.00 N ATOM 158 CA ASP A 11 -4.607 5.313 -8.941 1.00 0.00 C ATOM 159 C ASP A 11 -3.513 4.379 -8.395 1.00 0.00 C ATOM 160 O ASP A 11 -2.401 4.357 -8.927 1.00 0.00 O ATOM 161 CB ASP A 11 -4.080 6.749 -9.086 1.00 0.00 C ATOM 162 CG ASP A 11 -3.202 7.002 -10.319 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.009 6.104 -11.177 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.773 8.168 -10.476 1.00 0.00 O ATOM 0 H ASP A 11 -5.799 6.068 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.883 4.918 -9.919 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.931 7.429 -9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.506 7.000 -8.194 1.00 0.00 H new ATOM 169 N LEU A 12 -3.794 3.637 -7.313 1.00 0.00 N ATOM 170 CA LEU A 12 -2.897 2.627 -6.736 1.00 0.00 C ATOM 171 C LEU A 12 -2.517 1.616 -7.814 1.00 0.00 C ATOM 172 O LEU A 12 -3.389 0.972 -8.403 1.00 0.00 O ATOM 173 CB LEU A 12 -3.564 1.942 -5.522 1.00 0.00 C ATOM 174 CG LEU A 12 -2.738 0.945 -4.680 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.531 -0.448 -5.311 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.412 1.584 -4.240 1.00 0.00 C ATOM 0 H LEU A 12 -4.673 3.726 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.987 3.107 -6.376 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.915 2.727 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.446 1.415 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.347 0.736 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.939 -1.068 -4.638 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.500 -0.918 -5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.008 -0.343 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.842 0.868 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.835 1.868 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.617 2.470 -3.639 1.00 0.00 H new ATOM 188 N SER A 13 -1.230 1.509 -8.135 1.00 0.00 N ATOM 189 CA SER A 13 -0.720 0.518 -9.069 1.00 0.00 C ATOM 190 C SER A 13 0.727 0.211 -8.739 1.00 0.00 C ATOM 191 O SER A 13 1.489 1.143 -8.509 1.00 0.00 O ATOM 192 CB SER A 13 -0.841 1.038 -10.505 1.00 0.00 C ATOM 193 OG SER A 13 -2.169 1.448 -10.830 1.00 0.00 O ATOM 0 H SER A 13 -0.507 2.116 -7.748 1.00 0.00 H new ATOM 0 HA SER A 13 -1.307 -0.397 -8.983 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.161 1.879 -10.641 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.526 0.258 -11.198 1.00 0.00 H new ATOM 0 HG SER A 13 -2.775 1.203 -10.100 1.00 0.00 H new ATOM 199 N PHE A 14 1.128 -1.060 -8.698 1.00 0.00 N ATOM 200 CA PHE A 14 2.526 -1.392 -8.481 1.00 0.00 C ATOM 201 C PHE A 14 3.196 -1.507 -9.851 1.00 0.00 C ATOM 202 O PHE A 14 2.572 -1.934 -10.826 1.00 0.00 O ATOM 203 CB PHE A 14 2.644 -2.702 -7.708 1.00 0.00 C ATOM 204 CG PHE A 14 1.853 -2.836 -6.412 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.366 -1.721 -5.690 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.644 -4.125 -5.893 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.665 -1.912 -4.484 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.976 -4.297 -4.671 1.00 0.00 C ATOM 209 CZ PHE A 14 0.467 -3.196 -3.975 1.00 0.00 C ATOM 0 H PHE A 14 0.510 -1.863 -8.811 1.00 0.00 H new ATOM 0 HA PHE A 14 3.016 -0.618 -7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.339 -3.511 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.697 -2.860 -7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.532 -0.722 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.999 -4.988 -6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.277 -1.058 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.854 -5.290 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.075 -3.338 -3.052 1.00 0.00 H new ATOM 219 N VAL A 15 4.463 -1.123 -9.926 1.00 0.00 N ATOM 220 CA VAL A 15 5.348 -1.147 -11.061 1.00 0.00 C ATOM 221 C VAL A 15 6.747 -1.576 -10.602 1.00 0.00 C ATOM 222 O VAL A 15 6.977 -1.733 -9.405 1.00 0.00 O ATOM 223 CB VAL A 15 5.295 0.207 -11.791 1.00 0.00 C ATOM 224 CG1 VAL A 15 3.907 0.880 -11.863 1.00 0.00 C ATOM 225 CG2 VAL A 15 6.224 1.264 -11.179 1.00 0.00 C ATOM 0 H VAL A 15 4.936 -0.750 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 15 5.033 -1.887 -11.797 1.00 0.00 H new ATOM 0 HB VAL A 15 5.609 -0.090 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.989 1.826 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.212 0.225 -12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.539 1.065 -10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.138 2.194 -11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.941 1.440 -10.141 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.254 0.910 -11.219 1.00 0.00 H new ATOM 235 N ASP A 16 7.673 -1.768 -11.545 1.00 0.00 N ATOM 236 CA ASP A 16 9.043 -2.205 -11.325 1.00 0.00 C ATOM 237 C ASP A 16 9.133 -3.345 -10.305 1.00 0.00 C ATOM 238 O ASP A 16 10.002 -3.378 -9.439 1.00 0.00 O ATOM 239 CB ASP A 16 10.056 -1.044 -11.206 1.00 0.00 C ATOM 240 CG ASP A 16 9.907 0.019 -10.113 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.165 -0.285 -8.931 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.830 1.226 -10.455 1.00 0.00 O ATOM 0 H ASP A 16 7.471 -1.613 -12.533 1.00 0.00 H new ATOM 0 HA ASP A 16 9.395 -2.681 -12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.043 -1.491 -11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.058 -0.521 -12.163 1.00 0.00 H new ATOM 247 N ILE A 17 8.243 -4.329 -10.473 1.00 0.00 N ATOM 248 CA ILE A 17 8.120 -5.571 -9.717 1.00 0.00 C ATOM 249 C ILE A 17 9.262 -6.495 -10.160 1.00 0.00 C ATOM 250 O ILE A 17 9.064 -7.511 -10.822 1.00 0.00 O ATOM 251 CB ILE A 17 6.704 -6.170 -9.937 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.554 -5.154 -9.712 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.458 -7.356 -8.993 1.00 0.00 C ATOM 254 CD1 ILE A 17 4.800 -4.855 -11.002 1.00 0.00 C ATOM 0 H ILE A 17 7.533 -4.268 -11.203 1.00 0.00 H new ATOM 0 HA ILE A 17 8.214 -5.416 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 17 6.692 -6.481 -10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.861 -5.549 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.962 -4.228 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.460 -7.758 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.200 -8.132 -9.183 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.540 -7.021 -7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.003 -4.139 -10.800 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.487 -4.435 -11.736 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.369 -5.777 -11.394 1.00 0.00 H new ATOM 266 N THR A 18 10.492 -6.068 -9.925 1.00 0.00 N ATOM 267 CA THR A 18 11.689 -6.882 -10.046 1.00 0.00 C ATOM 268 C THR A 18 11.750 -7.858 -8.864 1.00 0.00 C ATOM 269 O THR A 18 10.965 -7.779 -7.923 1.00 0.00 O ATOM 270 CB THR A 18 12.889 -5.923 -10.171 1.00 0.00 C ATOM 271 OG1 THR A 18 14.074 -6.573 -10.597 1.00 0.00 O ATOM 272 CG2 THR A 18 13.162 -5.135 -8.892 1.00 0.00 C ATOM 0 H THR A 18 10.691 -5.111 -9.634 1.00 0.00 H new ATOM 0 HA THR A 18 11.696 -7.511 -10.936 1.00 0.00 H new ATOM 0 HB THR A 18 12.593 -5.215 -10.945 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.801 -5.919 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.018 -4.478 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.287 -4.537 -8.639 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.376 -5.827 -8.077 1.00 0.00 H new ATOM 280 N ASP A 19 12.732 -8.765 -8.872 1.00 0.00 N ATOM 281 CA ASP A 19 12.848 -9.791 -7.829 1.00 0.00 C ATOM 282 C ASP A 19 13.377 -9.201 -6.506 1.00 0.00 C ATOM 283 O ASP A 19 13.472 -9.925 -5.516 1.00 0.00 O ATOM 284 CB ASP A 19 13.858 -10.890 -8.241 1.00 0.00 C ATOM 285 CG ASP A 19 13.696 -11.446 -9.646 1.00 0.00 C ATOM 286 OD1 ASP A 19 14.330 -10.872 -10.568 1.00 0.00 O ATOM 287 OD2 ASP A 19 13.000 -12.471 -9.840 1.00 0.00 O ATOM 0 H ASP A 19 13.457 -8.810 -9.588 1.00 0.00 H new ATOM 0 HA ASP A 19 11.845 -10.198 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.865 -10.485 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.777 -11.715 -7.533 1.00 0.00 H new ATOM 292 N SER A 20 13.744 -7.919 -6.488 1.00 0.00 N ATOM 293 CA SER A 20 14.655 -7.310 -5.522 1.00 0.00 C ATOM 294 C SER A 20 14.083 -6.081 -4.793 1.00 0.00 C ATOM 295 O SER A 20 14.680 -5.589 -3.830 1.00 0.00 O ATOM 296 CB SER A 20 15.958 -7.011 -6.285 1.00 0.00 C ATOM 297 OG SER A 20 15.802 -5.898 -7.143 1.00 0.00 O ATOM 0 H SER A 20 13.399 -7.250 -7.176 1.00 0.00 H new ATOM 0 HA SER A 20 14.834 -8.003 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.762 -6.817 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.251 -7.885 -6.867 1.00 0.00 H new ATOM 0 HG SER A 20 16.644 -5.728 -7.615 1.00 0.00 H new ATOM 303 N SER A 21 12.928 -5.595 -5.239 1.00 0.00 N ATOM 304 CA SER A 21 12.155 -4.492 -4.706 1.00 0.00 C ATOM 305 C SER A 21 10.873 -4.376 -5.518 1.00 0.00 C ATOM 306 O SER A 21 10.705 -5.071 -6.524 1.00 0.00 O ATOM 307 CB SER A 21 12.946 -3.171 -4.680 1.00 0.00 C ATOM 308 OG SER A 21 13.852 -2.963 -5.748 1.00 0.00 O ATOM 0 H SER A 21 12.474 -6.004 -6.056 1.00 0.00 H new ATOM 0 HA SER A 21 11.913 -4.696 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.234 -2.346 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.503 -3.124 -3.744 1.00 0.00 H new ATOM 0 HG SER A 21 14.298 -2.098 -5.635 1.00 0.00 H new ATOM 314 N ILE A 22 9.956 -3.525 -5.075 1.00 0.00 N ATOM 315 CA ILE A 22 8.769 -3.181 -5.836 1.00 0.00 C ATOM 316 C ILE A 22 8.569 -1.674 -5.763 1.00 0.00 C ATOM 317 O ILE A 22 8.857 -1.055 -4.735 1.00 0.00 O ATOM 318 CB ILE A 22 7.558 -3.984 -5.313 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.444 -3.979 -6.368 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.031 -3.480 -3.962 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.323 -4.962 -6.042 1.00 0.00 C ATOM 0 H ILE A 22 10.018 -3.053 -4.173 1.00 0.00 H new ATOM 0 HA ILE A 22 8.882 -3.450 -6.886 1.00 0.00 H new ATOM 0 HB ILE A 22 7.900 -5.004 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.029 -2.974 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.869 -4.227 -7.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.181 -4.088 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.820 -3.553 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.717 -2.441 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.562 -4.917 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.729 -5.972 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.876 -4.700 -5.083 1.00 0.00 H new ATOM 333 N GLY A 23 8.023 -1.080 -6.816 1.00 0.00 N ATOM 334 CA GLY A 23 7.601 0.304 -6.842 1.00 0.00 C ATOM 335 C GLY A 23 6.091 0.365 -6.705 1.00 0.00 C ATOM 336 O GLY A 23 5.366 -0.460 -7.259 1.00 0.00 O ATOM 0 H GLY A 23 7.859 -1.566 -7.698 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.075 0.857 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.913 0.775 -7.774 1.00 0.00 H new ATOM 340 N LEU A 24 5.590 1.359 -5.988 1.00 0.00 N ATOM 341 CA LEU A 24 4.192 1.723 -5.957 1.00 0.00 C ATOM 342 C LEU A 24 4.032 3.030 -6.688 1.00 0.00 C ATOM 343 O LEU A 24 4.850 3.943 -6.523 1.00 0.00 O ATOM 344 CB LEU A 24 3.711 1.935 -4.524 1.00 0.00 C ATOM 345 CG LEU A 24 3.631 0.637 -3.711 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.714 0.559 -2.640 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.277 0.541 -3.019 1.00 0.00 C ATOM 0 H LEU A 24 6.170 1.951 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 24 3.612 0.922 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.385 2.629 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.727 2.404 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 24 3.773 -0.184 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.616 -0.378 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.696 0.602 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.605 1.396 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.227 -0.383 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.149 1.392 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.485 0.545 -3.768 1.00 0.00 H new ATOM 359 N ARG A 25 2.919 3.176 -7.394 1.00 0.00 N ATOM 360 CA ARG A 25 2.417 4.477 -7.764 1.00 0.00 C ATOM 361 C ARG A 25 1.061 4.623 -7.119 1.00 0.00 C ATOM 362 O ARG A 25 0.341 3.639 -6.951 1.00 0.00 O ATOM 363 CB ARG A 25 2.268 4.597 -9.282 1.00 0.00 C ATOM 364 CG ARG A 25 3.601 4.466 -10.034 1.00 0.00 C ATOM 365 CD ARG A 25 3.465 4.878 -11.509 1.00 0.00 C ATOM 366 NE ARG A 25 3.042 6.291 -11.625 1.00 0.00 N ATOM 367 CZ ARG A 25 3.766 7.333 -12.064 1.00 0.00 C ATOM 368 NH1 ARG A 25 4.966 7.187 -12.613 1.00 0.00 N ATOM 369 NH2 ARG A 25 3.265 8.551 -11.928 1.00 0.00 N ATOM 0 H ARG A 25 2.347 2.397 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 25 3.109 5.252 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.582 3.827 -9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.817 5.560 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.354 5.088 -9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.952 3.436 -9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.417 4.736 -12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.738 4.235 -12.005 1.00 0.00 H new ATOM 0 HE ARG A 25 2.086 6.498 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.371 6.256 -12.714 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.483 8.006 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.349 8.681 -11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.795 9.360 -12.253 1.00 0.00 H new ATOM 383 N TRP A 26 0.700 5.849 -6.807 1.00 0.00 N ATOM 384 CA TRP A 26 -0.654 6.293 -6.541 1.00 0.00 C ATOM 385 C TRP A 26 -0.694 7.768 -6.928 1.00 0.00 C ATOM 386 O TRP A 26 0.193 8.233 -7.649 1.00 0.00 O ATOM 387 CB TRP A 26 -1.055 5.907 -5.109 1.00 0.00 C ATOM 388 CG TRP A 26 -0.275 6.482 -3.962 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.528 7.652 -3.332 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.814 5.871 -3.203 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.340 7.828 -2.283 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.187 6.760 -2.152 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.468 4.621 -3.219 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.169 6.450 -1.205 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.513 4.335 -2.322 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.896 5.256 -1.338 1.00 0.00 C ATOM 0 H TRP A 26 1.380 6.605 -6.727 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.427 5.803 -7.133 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.100 6.187 -4.972 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.003 4.821 -5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.303 8.349 -3.614 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.352 8.649 -1.678 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.161 3.871 -3.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.366 7.121 -0.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.029 3.389 -2.393 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.737 5.051 -0.692 1.00 0.00 H new ATOM 407 N THR A 27 -1.722 8.508 -6.536 1.00 0.00 N ATOM 408 CA THR A 27 -1.711 9.962 -6.705 1.00 0.00 C ATOM 409 C THR A 27 -1.917 10.575 -5.321 1.00 0.00 C ATOM 410 O THR A 27 -2.674 10.002 -4.536 1.00 0.00 O ATOM 411 CB THR A 27 -2.761 10.334 -7.773 1.00 0.00 C ATOM 412 OG1 THR A 27 -2.105 10.392 -9.026 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.509 11.656 -7.565 1.00 0.00 C ATOM 0 H THR A 27 -2.567 8.135 -6.103 1.00 0.00 H new ATOM 0 HA THR A 27 -0.770 10.363 -7.082 1.00 0.00 H new ATOM 0 HB THR A 27 -3.527 9.561 -7.706 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.336 9.599 -9.553 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.218 11.805 -8.380 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.047 11.625 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.795 12.480 -7.550 1.00 0.00 H new ATOM 421 N PRO A 28 -1.270 11.707 -4.983 1.00 0.00 N ATOM 422 CA PRO A 28 -1.403 12.276 -3.659 1.00 0.00 C ATOM 423 C PRO A 28 -2.827 12.783 -3.467 1.00 0.00 C ATOM 424 O PRO A 28 -3.376 13.524 -4.289 1.00 0.00 O ATOM 425 CB PRO A 28 -0.385 13.410 -3.533 1.00 0.00 C ATOM 426 CG PRO A 28 0.428 13.381 -4.823 1.00 0.00 C ATOM 427 CD PRO A 28 -0.346 12.487 -5.786 1.00 0.00 C ATOM 0 HA PRO A 28 -1.210 11.531 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.883 14.371 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.256 13.266 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.547 14.384 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.429 12.988 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.883 13.085 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.331 11.836 -6.338 1.00 0.00 H new ATOM 435 N LEU A 29 -3.441 12.377 -2.366 1.00 0.00 N ATOM 436 CA LEU A 29 -4.723 12.883 -1.933 1.00 0.00 C ATOM 437 C LEU A 29 -4.439 14.137 -1.140 1.00 0.00 C ATOM 438 O LEU A 29 -4.130 14.066 0.051 1.00 0.00 O ATOM 439 CB LEU A 29 -5.557 11.845 -1.156 1.00 0.00 C ATOM 440 CG LEU A 29 -5.589 10.471 -1.847 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.889 9.358 -0.855 1.00 0.00 C ATOM 442 CD2 LEU A 29 -6.614 10.440 -2.991 1.00 0.00 C ATOM 0 H LEU A 29 -3.050 11.673 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.353 13.111 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.146 11.733 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.576 12.214 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.597 10.305 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.904 8.401 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.118 9.340 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.860 9.535 -0.392 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.610 9.455 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.608 10.650 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.353 11.194 -3.734 1.00 0.00 H new ATOM 454 N ASN A 30 -4.549 15.295 -1.794 1.00 0.00 N ATOM 455 CA ASN A 30 -4.367 16.598 -1.158 1.00 0.00 C ATOM 456 C ASN A 30 -5.598 16.919 -0.294 1.00 0.00 C ATOM 457 O ASN A 30 -6.162 18.015 -0.358 1.00 0.00 O ATOM 458 CB ASN A 30 -4.110 17.698 -2.207 1.00 0.00 C ATOM 459 CG ASN A 30 -2.992 17.370 -3.185 1.00 0.00 C ATOM 460 OD1 ASN A 30 -3.265 17.115 -4.350 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.740 17.337 -2.769 1.00 0.00 N ATOM 0 H ASN A 30 -4.769 15.354 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.487 16.562 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.029 17.874 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.867 18.628 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.992 17.098 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.520 17.551 -1.796 1.00 0.00 H new ATOM 468 N SER A 31 -6.078 15.965 0.508 1.00 0.00 N ATOM 469 CA SER A 31 -7.238 16.111 1.380 1.00 0.00 C ATOM 470 C SER A 31 -6.966 17.073 2.562 1.00 0.00 C ATOM 471 O SER A 31 -7.853 17.232 3.398 1.00 0.00 O ATOM 472 CB SER A 31 -7.600 14.712 1.896 1.00 0.00 C ATOM 473 OG SER A 31 -8.196 13.920 0.883 1.00 0.00 O ATOM 0 H SER A 31 -5.653 15.040 0.567 1.00 0.00 H new ATOM 0 HA SER A 31 -8.062 16.549 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.702 14.216 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.285 14.801 2.739 1.00 0.00 H new ATOM 0 HG SER A 31 -8.412 13.035 1.244 1.00 0.00 H new ATOM 479 N SER A 32 -5.772 17.690 2.641 1.00 0.00 N ATOM 480 CA SER A 32 -5.314 18.694 3.619 1.00 0.00 C ATOM 481 C SER A 32 -5.588 18.337 5.087 1.00 0.00 C ATOM 482 O SER A 32 -5.750 19.205 5.943 1.00 0.00 O ATOM 483 CB SER A 32 -5.806 20.091 3.216 1.00 0.00 C ATOM 484 OG SER A 32 -7.212 20.141 3.070 1.00 0.00 O ATOM 0 H SER A 32 -5.040 17.480 1.963 1.00 0.00 H new ATOM 0 HA SER A 32 -4.225 18.698 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.495 20.815 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.334 20.384 2.278 1.00 0.00 H new ATOM 0 HG SER A 32 -7.482 21.048 2.815 1.00 0.00 H new ATOM 490 N THR A 33 -5.691 17.039 5.364 1.00 0.00 N ATOM 491 CA THR A 33 -6.119 16.492 6.644 1.00 0.00 C ATOM 492 C THR A 33 -5.783 15.003 6.745 1.00 0.00 C ATOM 493 O THR A 33 -5.787 14.426 7.834 1.00 0.00 O ATOM 494 CB THR A 33 -7.627 16.752 6.782 1.00 0.00 C ATOM 495 OG1 THR A 33 -7.931 17.147 8.106 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.545 15.608 6.330 1.00 0.00 C ATOM 0 H THR A 33 -5.471 16.317 4.678 1.00 0.00 H new ATOM 0 HA THR A 33 -5.589 16.978 7.463 1.00 0.00 H new ATOM 0 HB THR A 33 -7.841 17.559 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.894 17.312 8.185 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.586 15.899 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.368 15.394 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.334 14.717 6.921 1.00 0.00 H new ATOM 504 N ILE A 34 -5.495 14.382 5.599 1.00 0.00 N ATOM 505 CA ILE A 34 -4.712 13.166 5.498 1.00 0.00 C ATOM 506 C ILE A 34 -3.549 13.203 6.495 1.00 0.00 C ATOM 507 O ILE A 34 -2.923 14.250 6.652 1.00 0.00 O ATOM 508 CB ILE A 34 -4.287 12.930 4.034 1.00 0.00 C ATOM 509 CG1 ILE A 34 -3.778 11.488 3.918 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.282 13.979 3.557 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.275 11.057 2.548 1.00 0.00 C ATOM 0 H ILE A 34 -5.813 14.728 4.694 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.314 12.301 5.777 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.138 13.051 3.364 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.970 11.352 4.637 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.584 10.816 4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.009 13.777 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.730 14.970 3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.390 13.939 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.942 10.020 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.080 11.149 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.441 11.693 2.250 1.00 0.00 H new ATOM 523 N ILE A 35 -3.242 12.084 7.144 1.00 0.00 N ATOM 524 CA ILE A 35 -1.977 11.958 7.852 1.00 0.00 C ATOM 525 C ILE A 35 -0.973 11.517 6.800 1.00 0.00 C ATOM 526 O ILE A 35 -0.040 12.250 6.500 1.00 0.00 O ATOM 527 CB ILE A 35 -2.070 10.975 9.033 1.00 0.00 C ATOM 528 CG1 ILE A 35 -2.986 11.520 10.150 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.675 10.696 9.623 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.443 11.072 10.015 1.00 0.00 C ATOM 0 H ILE A 35 -3.844 11.262 7.193 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.676 12.899 8.312 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.496 10.050 8.645 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.602 11.194 11.116 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.947 12.609 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.765 9.999 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.035 10.262 8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.236 11.629 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.030 11.491 10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.844 11.421 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.494 9.984 10.053 1.00 0.00 H new ATOM 542 N GLY A 36 -1.181 10.335 6.232 1.00 0.00 N ATOM 543 CA GLY A 36 -0.223 9.651 5.391 1.00 0.00 C ATOM 544 C GLY A 36 -0.887 8.418 4.803 1.00 0.00 C ATOM 545 O GLY A 36 -2.115 8.332 4.708 1.00 0.00 O ATOM 0 H GLY A 36 -2.050 9.815 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.121 10.311 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.655 9.367 5.971 1.00 0.00 H new ATOM 549 N TYR A 37 -0.063 7.451 4.418 1.00 0.00 N ATOM 550 CA TYR A 37 -0.503 6.151 3.948 1.00 0.00 C ATOM 551 C TYR A 37 0.416 5.155 4.650 1.00 0.00 C ATOM 552 O TYR A 37 1.581 5.477 4.906 1.00 0.00 O ATOM 553 CB TYR A 37 -0.401 6.032 2.396 1.00 0.00 C ATOM 554 CG TYR A 37 -0.754 7.281 1.602 1.00 0.00 C ATOM 555 CD1 TYR A 37 0.093 8.404 1.615 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.944 7.329 0.856 1.00 0.00 C ATOM 557 CE1 TYR A 37 -0.279 9.579 0.946 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.296 8.490 0.147 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.471 9.633 0.202 1.00 0.00 C ATOM 560 OH TYR A 37 -1.818 10.793 -0.421 1.00 0.00 O ATOM 0 H TYR A 37 0.952 7.555 4.426 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.553 5.970 4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.618 5.740 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.055 5.223 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.034 8.361 2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.593 6.466 0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.356 10.451 1.003 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.201 8.507 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.245 11.521 -0.100 1.00 0.00 H new ATOM 570 N ARG A 38 -0.103 3.973 4.958 1.00 0.00 N ATOM 571 CA ARG A 38 0.623 2.882 5.586 1.00 0.00 C ATOM 572 C ARG A 38 0.657 1.744 4.588 1.00 0.00 C ATOM 573 O ARG A 38 -0.395 1.411 4.032 1.00 0.00 O ATOM 574 CB ARG A 38 -0.069 2.507 6.912 1.00 0.00 C ATOM 575 CG ARG A 38 0.237 1.092 7.449 1.00 0.00 C ATOM 576 CD ARG A 38 -0.920 0.114 7.185 1.00 0.00 C ATOM 577 NE ARG A 38 -0.695 -1.176 7.860 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.615 -1.972 8.425 1.00 0.00 C ATOM 579 NH1 ARG A 38 -2.911 -1.712 8.349 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.251 -3.053 9.101 1.00 0.00 N ATOM 0 H ARG A 38 -1.078 3.742 4.769 1.00 0.00 H new ATOM 0 HA ARG A 38 1.648 3.152 5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.221 3.234 7.670 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.147 2.600 6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.145 0.714 6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.430 1.145 8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.855 0.551 7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.025 -0.048 6.112 1.00 0.00 H new ATOM 0 HE ARG A 38 0.271 -1.501 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.237 -0.885 7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.584 -2.339 8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.263 -3.287 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.959 -3.651 9.526 1.00 0.00 H new ATOM 594 N ILE A 39 1.821 1.131 4.402 1.00 0.00 N ATOM 595 CA ILE A 39 1.959 -0.124 3.683 1.00 0.00 C ATOM 596 C ILE A 39 2.288 -1.182 4.737 1.00 0.00 C ATOM 597 O ILE A 39 3.022 -0.911 5.684 1.00 0.00 O ATOM 598 CB ILE A 39 3.020 0.000 2.557 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.533 0.921 1.414 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.371 -1.364 1.938 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.794 2.421 1.596 1.00 0.00 C ATOM 0 H ILE A 39 2.705 1.499 4.752 1.00 0.00 H new ATOM 0 HA ILE A 39 1.045 -0.410 3.162 1.00 0.00 H new ATOM 0 HB ILE A 39 3.903 0.425 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.010 0.600 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.461 0.773 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.117 -1.227 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.771 -2.022 2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.474 -1.811 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.409 2.965 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.292 2.771 2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.866 2.595 1.686 1.00 0.00 H new ATOM 613 N THR A 40 1.753 -2.391 4.562 1.00 0.00 N ATOM 614 CA THR A 40 2.262 -3.586 5.217 1.00 0.00 C ATOM 615 C THR A 40 2.351 -4.669 4.157 1.00 0.00 C ATOM 616 O THR A 40 1.372 -4.939 3.457 1.00 0.00 O ATOM 617 CB THR A 40 1.390 -4.007 6.409 1.00 0.00 C ATOM 618 OG1 THR A 40 1.440 -3.017 7.413 1.00 0.00 O ATOM 619 CG2 THR A 40 1.852 -5.332 7.027 1.00 0.00 C ATOM 0 H THR A 40 0.950 -2.565 3.957 1.00 0.00 H new ATOM 0 HA THR A 40 3.247 -3.396 5.644 1.00 0.00 H new ATOM 0 HB THR A 40 0.376 -4.132 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.640 -3.436 8.276 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.205 -5.587 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.802 -6.121 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.879 -5.231 7.379 1.00 0.00 H new ATOM 627 N VAL A 41 3.514 -5.294 4.051 1.00 0.00 N ATOM 628 CA VAL A 41 3.765 -6.407 3.154 1.00 0.00 C ATOM 629 C VAL A 41 3.815 -7.680 4.005 1.00 0.00 C ATOM 630 O VAL A 41 4.405 -7.673 5.090 1.00 0.00 O ATOM 631 CB VAL A 41 5.051 -6.163 2.317 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.803 -6.038 0.821 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.772 -4.828 2.598 1.00 0.00 C ATOM 0 H VAL A 41 4.331 -5.032 4.603 1.00 0.00 H new ATOM 0 HA VAL A 41 2.968 -6.515 2.418 1.00 0.00 H new ATOM 0 HB VAL A 41 5.631 -7.039 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.750 -5.869 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.348 -6.956 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.133 -5.199 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.656 -4.752 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.099 -3.998 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.071 -4.789 3.645 1.00 0.00 H new ATOM 643 N VAL A 42 3.200 -8.770 3.539 1.00 0.00 N ATOM 644 CA VAL A 42 3.262 -10.098 4.150 1.00 0.00 C ATOM 645 C VAL A 42 3.466 -11.156 3.054 1.00 0.00 C ATOM 646 O VAL A 42 3.176 -10.911 1.884 1.00 0.00 O ATOM 647 CB VAL A 42 2.007 -10.369 5.011 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.522 -9.167 5.833 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.841 -10.754 4.123 1.00 0.00 C ATOM 0 H VAL A 42 2.625 -8.750 2.696 1.00 0.00 H new ATOM 0 HA VAL A 42 4.114 -10.150 4.828 1.00 0.00 H new ATOM 0 HB VAL A 42 2.315 -11.161 5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.638 -9.450 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.311 -8.851 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.272 -8.345 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.038 -10.943 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.629 -9.942 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.092 -11.655 3.563 1.00 0.00 H new ATOM 659 N ALA A 43 3.853 -12.373 3.413 1.00 0.00 N ATOM 660 CA ALA A 43 3.778 -13.506 2.503 1.00 0.00 C ATOM 661 C ALA A 43 2.322 -13.951 2.477 1.00 0.00 C ATOM 662 O ALA A 43 1.727 -14.218 3.530 1.00 0.00 O ATOM 663 CB ALA A 43 4.676 -14.651 2.983 1.00 0.00 C ATOM 0 H ALA A 43 4.225 -12.601 4.335 1.00 0.00 H new ATOM 0 HA ALA A 43 4.122 -13.224 1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.603 -15.487 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.709 -14.307 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.355 -14.975 3.973 1.00 0.00 H new ATOM 669 N ALA A 44 1.746 -14.031 1.286 1.00 0.00 N ATOM 670 CA ALA A 44 0.418 -14.566 1.073 1.00 0.00 C ATOM 671 C ALA A 44 0.320 -15.986 1.638 1.00 0.00 C ATOM 672 O ALA A 44 -0.621 -16.288 2.371 1.00 0.00 O ATOM 673 CB ALA A 44 0.082 -14.533 -0.416 1.00 0.00 C ATOM 0 H ALA A 44 2.201 -13.719 0.428 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.310 -13.950 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.918 -14.937 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.118 -13.504 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.806 -15.135 -0.966 1.00 0.00 H new ATOM 708 N ILE A 48 2.838 -14.869 7.274 1.00 0.00 N ATOM 709 CA ILE A 48 4.150 -14.422 7.736 1.00 0.00 C ATOM 710 C ILE A 48 4.435 -12.982 7.260 1.00 0.00 C ATOM 711 O ILE A 48 4.643 -12.788 6.057 1.00 0.00 O ATOM 712 CB ILE A 48 5.189 -15.487 7.310 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.995 -16.739 8.198 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.636 -14.979 7.383 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.929 -17.910 7.881 1.00 0.00 C ATOM 0 HA ILE A 48 4.201 -14.348 8.822 1.00 0.00 H new ATOM 0 HB ILE A 48 5.019 -15.732 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.138 -16.452 9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.964 -17.079 8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.316 -15.772 7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.754 -14.120 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.867 -14.684 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.716 -18.739 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.773 -18.231 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.964 -17.595 8.010 1.00 0.00 H new ATOM 727 N PRO A 49 4.385 -11.960 8.130 1.00 0.00 N ATOM 728 CA PRO A 49 4.564 -10.574 7.729 1.00 0.00 C ATOM 729 C PRO A 49 6.030 -10.287 7.390 1.00 0.00 C ATOM 730 O PRO A 49 6.946 -10.833 8.012 1.00 0.00 O ATOM 731 CB PRO A 49 4.055 -9.743 8.907 1.00 0.00 C ATOM 732 CG PRO A 49 4.369 -10.628 10.113 1.00 0.00 C ATOM 733 CD PRO A 49 4.173 -12.044 9.569 1.00 0.00 C ATOM 0 HA PRO A 49 4.013 -10.329 6.821 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.562 -8.780 8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.988 -9.537 8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.386 -10.472 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.700 -10.422 10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.878 -12.738 10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.172 -12.412 9.794 1.00 0.00 H new ATOM 741 N ILE A 50 6.255 -9.388 6.431 1.00 0.00 N ATOM 742 CA ILE A 50 7.587 -8.917 6.085 1.00 0.00 C ATOM 743 C ILE A 50 7.879 -7.783 7.068 1.00 0.00 C ATOM 744 O ILE A 50 8.614 -7.971 8.037 1.00 0.00 O ATOM 745 CB ILE A 50 7.695 -8.500 4.596 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.993 -9.404 3.577 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.162 -8.260 4.203 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.356 -10.861 3.724 1.00 0.00 C ATOM 0 H ILE A 50 5.512 -8.967 5.873 1.00 0.00 H new ATOM 0 HA ILE A 50 8.337 -9.703 6.176 1.00 0.00 H new ATOM 0 HB ILE A 50 7.130 -7.569 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.914 -9.293 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.248 -9.073 2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.215 -7.968 3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.579 -7.466 4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.734 -9.176 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.825 -11.446 2.973 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.430 -10.984 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.075 -11.207 4.719 1.00 0.00 H new ATOM 760 N PHE A 51 7.246 -6.626 6.863 1.00 0.00 N ATOM 761 CA PHE A 51 7.351 -5.423 7.673 1.00 0.00 C ATOM 762 C PHE A 51 6.230 -4.467 7.275 1.00 0.00 C ATOM 763 O PHE A 51 5.453 -4.741 6.352 1.00 0.00 O ATOM 764 CB PHE A 51 8.743 -4.769 7.553 1.00 0.00 C ATOM 765 CG PHE A 51 8.991 -3.904 6.327 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.909 -4.439 5.028 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.319 -2.545 6.495 1.00 0.00 C ATOM 768 CE1 PHE A 51 9.128 -3.617 3.911 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.532 -1.725 5.377 1.00 0.00 C ATOM 770 CZ PHE A 51 9.422 -2.253 4.084 1.00 0.00 C ATOM 0 H PHE A 51 6.608 -6.503 6.077 1.00 0.00 H new ATOM 0 HA PHE A 51 7.239 -5.685 8.725 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.908 -4.157 8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.492 -5.560 7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.677 -5.485 4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.407 -2.132 7.489 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.070 -4.034 2.916 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.782 -0.683 5.513 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.562 -1.615 3.224 1.00 0.00 H new ATOM 780 N GLU A 52 6.142 -3.356 7.995 1.00 0.00 N ATOM 781 CA GLU A 52 5.266 -2.236 7.687 1.00 0.00 C ATOM 782 C GLU A 52 6.083 -0.958 7.514 1.00 0.00 C ATOM 783 O GLU A 52 7.192 -0.835 8.047 1.00 0.00 O ATOM 784 CB GLU A 52 4.179 -2.113 8.764 1.00 0.00 C ATOM 785 CG GLU A 52 4.673 -1.563 10.112 1.00 0.00 C ATOM 786 CD GLU A 52 4.009 -2.272 11.288 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.761 -2.229 11.381 1.00 0.00 O ATOM 788 OE2 GLU A 52 4.747 -2.876 12.116 1.00 0.00 O ATOM 0 H GLU A 52 6.698 -3.206 8.837 1.00 0.00 H new ATOM 0 HA GLU A 52 4.757 -2.411 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.387 -1.464 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.735 -3.095 8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.754 -1.682 10.179 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.465 -0.494 10.167 1.00 0.00 H new ATOM 795 N ASP A 53 5.522 0.003 6.788 1.00 0.00 N ATOM 796 CA ASP A 53 6.145 1.276 6.479 1.00 0.00 C ATOM 797 C ASP A 53 5.089 2.374 6.361 1.00 0.00 C ATOM 798 O ASP A 53 3.877 2.105 6.376 1.00 0.00 O ATOM 799 CB ASP A 53 7.064 1.196 5.251 1.00 0.00 C ATOM 800 CG ASP A 53 6.330 1.152 3.912 1.00 0.00 C ATOM 801 OD1 ASP A 53 5.555 2.088 3.618 1.00 0.00 O ATOM 802 OD2 ASP A 53 6.658 0.251 3.108 1.00 0.00 O ATOM 0 H ASP A 53 4.589 -0.090 6.387 1.00 0.00 H new ATOM 0 HA ASP A 53 6.799 1.540 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.732 2.057 5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.689 0.307 5.338 1.00 0.00 H new ATOM 807 N PHE A 54 5.565 3.618 6.361 1.00 0.00 N ATOM 808 CA PHE A 54 4.792 4.840 6.277 1.00 0.00 C ATOM 809 C PHE A 54 5.420 5.783 5.258 1.00 0.00 C ATOM 810 O PHE A 54 6.637 5.779 5.044 1.00 0.00 O ATOM 811 CB PHE A 54 4.756 5.534 7.648 1.00 0.00 C ATOM 812 CG PHE A 54 3.356 5.668 8.182 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.510 6.668 7.673 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.889 4.760 9.144 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.183 6.743 8.119 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.571 4.846 9.602 1.00 0.00 C ATOM 817 CZ PHE A 54 0.720 5.830 9.081 1.00 0.00 C ATOM 0 H PHE A 54 6.566 3.803 6.424 1.00 0.00 H new ATOM 0 HA PHE A 54 3.777 4.591 5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.360 4.967 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.207 6.523 7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.879 7.374 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.547 3.996 9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.520 7.499 7.725 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.211 4.158 10.353 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.303 5.887 9.423 1.00 0.00 H new ATOM 827 N VAL A 55 4.598 6.678 4.712 1.00 0.00 N ATOM 828 CA VAL A 55 5.007 7.737 3.801 1.00 0.00 C ATOM 829 C VAL A 55 4.526 9.103 4.335 1.00 0.00 C ATOM 830 O VAL A 55 3.905 9.183 5.396 1.00 0.00 O ATOM 831 CB VAL A 55 4.506 7.375 2.376 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.658 6.881 1.497 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.375 6.329 2.332 1.00 0.00 C ATOM 0 H VAL A 55 3.596 6.683 4.900 1.00 0.00 H new ATOM 0 HA VAL A 55 6.091 7.827 3.737 1.00 0.00 H new ATOM 0 HB VAL A 55 4.092 8.308 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.279 6.635 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.413 7.663 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.103 5.993 1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.093 6.142 1.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.720 5.401 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.511 6.704 2.881 1.00 0.00 H new ATOM 843 N ASP A 56 4.775 10.179 3.577 1.00 0.00 N ATOM 844 CA ASP A 56 4.777 11.556 4.096 1.00 0.00 C ATOM 845 C ASP A 56 3.361 12.118 4.242 1.00 0.00 C ATOM 846 O ASP A 56 2.946 12.483 5.338 1.00 0.00 O ATOM 847 CB ASP A 56 5.614 12.470 3.176 1.00 0.00 C ATOM 848 CG ASP A 56 6.314 13.590 3.947 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.691 14.643 4.220 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.516 13.401 4.255 1.00 0.00 O ATOM 0 H ASP A 56 4.982 10.120 2.580 1.00 0.00 H new ATOM 0 HA ASP A 56 5.224 11.528 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.360 11.871 2.654 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.967 12.906 2.415 1.00 0.00 H new ATOM 855 N SER A 57 2.631 12.132 3.117 1.00 0.00 N ATOM 856 CA SER A 57 1.283 12.647 2.848 1.00 0.00 C ATOM 857 C SER A 57 1.108 13.007 1.378 1.00 0.00 C ATOM 858 O SER A 57 0.017 12.848 0.817 1.00 0.00 O ATOM 859 CB SER A 57 0.905 13.866 3.704 1.00 0.00 C ATOM 860 OG SER A 57 1.747 14.969 3.416 1.00 0.00 O ATOM 0 H SER A 57 3.025 11.730 2.266 1.00 0.00 H new ATOM 0 HA SER A 57 0.613 11.831 3.118 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.134 14.138 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.982 13.611 4.761 1.00 0.00 H new ATOM 0 HG SER A 57 1.487 15.733 3.972 1.00 0.00 H new ATOM 866 N SER A 58 2.205 13.391 0.736 1.00 0.00 N ATOM 867 CA SER A 58 2.208 14.021 -0.567 1.00 0.00 C ATOM 868 C SER A 58 3.069 13.204 -1.526 1.00 0.00 C ATOM 869 O SER A 58 3.177 13.549 -2.704 1.00 0.00 O ATOM 870 CB SER A 58 2.727 15.453 -0.395 1.00 0.00 C ATOM 871 OG SER A 58 4.076 15.417 0.038 1.00 0.00 O ATOM 0 H SER A 58 3.140 13.267 1.123 1.00 0.00 H new ATOM 0 HA SER A 58 1.206 14.062 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.651 15.995 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.115 15.988 0.331 1.00 0.00 H new ATOM 0 HG SER A 58 4.409 16.332 0.147 1.00 0.00 H new ATOM 877 N VAL A 59 3.664 12.107 -1.043 1.00 0.00 N ATOM 878 CA VAL A 59 4.397 11.167 -1.882 1.00 0.00 C ATOM 879 C VAL A 59 3.341 10.382 -2.649 1.00 0.00 C ATOM 880 O VAL A 59 2.453 9.805 -2.009 1.00 0.00 O ATOM 881 CB VAL A 59 5.311 10.229 -1.061 1.00 0.00 C ATOM 882 CG1 VAL A 59 6.067 9.247 -1.957 1.00 0.00 C ATOM 883 CG2 VAL A 59 6.339 10.990 -0.230 1.00 0.00 C ATOM 0 H VAL A 59 3.647 11.850 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 59 5.071 11.699 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 59 4.639 9.689 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.698 8.605 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.354 8.634 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.689 9.801 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.954 10.282 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.974 11.582 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.825 11.651 0.468 1.00 0.00 H new ATOM 893 N GLY A 60 3.437 10.377 -3.978 1.00 0.00 N ATOM 894 CA GLY A 60 2.634 9.535 -4.866 1.00 0.00 C ATOM 895 C GLY A 60 3.441 8.401 -5.502 1.00 0.00 C ATOM 896 O GLY A 60 2.905 7.607 -6.274 1.00 0.00 O ATOM 0 H GLY A 60 4.093 10.974 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.803 9.111 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.203 10.153 -5.653 1.00 0.00 H new ATOM 900 N TYR A 61 4.730 8.296 -5.171 1.00 0.00 N ATOM 901 CA TYR A 61 5.656 7.339 -5.759 1.00 0.00 C ATOM 902 C TYR A 61 6.594 6.840 -4.657 1.00 0.00 C ATOM 903 O TYR A 61 7.368 7.632 -4.105 1.00 0.00 O ATOM 904 CB TYR A 61 6.442 8.058 -6.869 1.00 0.00 C ATOM 905 CG TYR A 61 7.242 7.137 -7.757 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.558 6.768 -7.414 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.622 6.586 -8.891 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.249 5.832 -8.205 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.300 5.642 -9.678 1.00 0.00 C ATOM 910 CZ TYR A 61 8.604 5.237 -9.318 1.00 0.00 C ATOM 911 OH TYR A 61 9.191 4.197 -9.965 1.00 0.00 O ATOM 0 H TYR A 61 5.165 8.892 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 61 5.134 6.484 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.743 8.623 -7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.118 8.780 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.034 7.202 -6.547 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.621 6.890 -9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.268 5.568 -7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.826 5.227 -10.555 1.00 0.00 H new ATOM 0 HH TYR A 61 8.617 3.905 -10.704 1.00 0.00 H new ATOM 921 N TYR A 62 6.521 5.557 -4.304 1.00 0.00 N ATOM 922 CA TYR A 62 7.255 5.020 -3.153 1.00 0.00 C ATOM 923 C TYR A 62 7.685 3.583 -3.444 1.00 0.00 C ATOM 924 O TYR A 62 6.916 2.841 -4.040 1.00 0.00 O ATOM 925 CB TYR A 62 6.417 5.176 -1.884 1.00 0.00 C ATOM 926 CG TYR A 62 6.907 4.338 -0.721 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.134 4.643 -0.108 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.182 3.211 -0.299 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.675 3.784 0.867 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.723 2.340 0.660 1.00 0.00 C ATOM 931 CZ TYR A 62 7.991 2.599 1.223 1.00 0.00 C ATOM 932 OH TYR A 62 8.578 1.700 2.063 1.00 0.00 O ATOM 0 H TYR A 62 5.959 4.865 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 62 8.171 5.584 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.414 6.225 -1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.385 4.905 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.665 5.541 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.205 3.014 -0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.613 4.030 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.166 1.468 0.968 1.00 0.00 H new ATOM 0 HH TYR A 62 8.019 0.898 2.126 1.00 0.00 H new ATOM 942 N THR A 63 8.912 3.203 -3.090 1.00 0.00 N ATOM 943 CA THR A 63 9.507 1.900 -3.394 1.00 0.00 C ATOM 944 C THR A 63 9.712 1.132 -2.084 1.00 0.00 C ATOM 945 O THR A 63 10.047 1.741 -1.068 1.00 0.00 O ATOM 946 CB THR A 63 10.849 2.104 -4.128 1.00 0.00 C ATOM 947 OG1 THR A 63 10.776 3.157 -5.073 1.00 0.00 O ATOM 948 CG2 THR A 63 11.359 0.870 -4.876 1.00 0.00 C ATOM 0 H THR A 63 9.541 3.813 -2.567 1.00 0.00 H new ATOM 0 HA THR A 63 8.847 1.324 -4.043 1.00 0.00 H new ATOM 0 HB THR A 63 11.546 2.335 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.644 3.259 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.306 1.105 -5.362 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.506 0.052 -4.171 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.629 0.573 -5.629 1.00 0.00 H new ATOM 956 N VAL A 64 9.588 -0.193 -2.114 1.00 0.00 N ATOM 957 CA VAL A 64 9.764 -1.087 -0.979 1.00 0.00 C ATOM 958 C VAL A 64 10.876 -2.071 -1.347 1.00 0.00 C ATOM 959 O VAL A 64 10.986 -2.445 -2.517 1.00 0.00 O ATOM 960 CB VAL A 64 8.445 -1.836 -0.687 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.361 -2.228 0.786 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.161 -1.069 -1.038 1.00 0.00 C ATOM 0 H VAL A 64 9.351 -0.693 -2.971 1.00 0.00 H new ATOM 0 HA VAL A 64 10.032 -0.531 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 64 8.489 -2.706 -1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.424 -2.754 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.198 -2.879 1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.400 -1.331 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.293 -1.682 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.123 -0.142 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.155 -0.838 -2.103 1.00 0.00 H new ATOM 972 N THR A 65 11.652 -2.539 -0.372 1.00 0.00 N ATOM 973 CA THR A 65 12.749 -3.483 -0.573 1.00 0.00 C ATOM 974 C THR A 65 12.499 -4.692 0.353 1.00 0.00 C ATOM 975 O THR A 65 11.394 -4.851 0.881 1.00 0.00 O ATOM 976 CB THR A 65 14.103 -2.760 -0.354 1.00 0.00 C ATOM 977 OG1 THR A 65 14.038 -1.390 -0.712 1.00 0.00 O ATOM 978 CG2 THR A 65 15.234 -3.329 -1.216 1.00 0.00 C ATOM 0 H THR A 65 11.533 -2.266 0.603 1.00 0.00 H new ATOM 0 HA THR A 65 12.795 -3.865 -1.593 1.00 0.00 H new ATOM 0 HB THR A 65 14.304 -2.903 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.910 -0.970 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.155 -2.781 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.380 -4.382 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.974 -3.230 -2.270 1.00 0.00 H new ATOM 986 N GLY A 66 13.473 -5.591 0.525 1.00 0.00 N ATOM 987 CA GLY A 66 13.382 -6.724 1.443 1.00 0.00 C ATOM 988 C GLY A 66 12.632 -7.929 0.871 1.00 0.00 C ATOM 989 O GLY A 66 12.441 -8.913 1.583 1.00 0.00 O ATOM 0 H GLY A 66 14.359 -5.549 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.389 -7.035 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.884 -6.399 2.357 1.00 0.00 H new ATOM 993 N LEU A 67 12.224 -7.873 -0.398 1.00 0.00 N ATOM 994 CA LEU A 67 11.566 -8.956 -1.109 1.00 0.00 C ATOM 995 C LEU A 67 12.548 -10.114 -1.324 1.00 0.00 C ATOM 996 O LEU A 67 13.760 -9.898 -1.429 1.00 0.00 O ATOM 997 CB LEU A 67 11.012 -8.380 -2.428 1.00 0.00 C ATOM 998 CG LEU A 67 9.493 -8.093 -2.369 1.00 0.00 C ATOM 999 CD1 LEU A 67 9.168 -6.727 -2.980 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.691 -9.183 -3.088 1.00 0.00 C ATOM 0 H LEU A 67 12.350 -7.040 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 67 10.735 -9.368 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.542 -7.458 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.213 -9.082 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 67 9.207 -8.087 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.094 -6.550 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.692 -5.947 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.486 -6.710 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.628 -8.952 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.994 -9.228 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.880 -10.146 -2.614 1.00 0.00 H new ATOM 1012 N GLU A 68 12.026 -11.341 -1.364 1.00 0.00 N ATOM 1013 CA GLU A 68 12.763 -12.593 -1.366 1.00 0.00 C ATOM 1014 C GLU A 68 11.980 -13.627 -2.212 1.00 0.00 C ATOM 1015 O GLU A 68 11.065 -14.285 -1.694 1.00 0.00 O ATOM 1016 CB GLU A 68 12.992 -13.039 0.085 1.00 0.00 C ATOM 1017 CG GLU A 68 14.188 -13.962 0.316 1.00 0.00 C ATOM 1018 CD GLU A 68 15.559 -13.334 0.058 1.00 0.00 C ATOM 1019 OE1 GLU A 68 16.100 -13.475 -1.060 1.00 0.00 O ATOM 1020 OE2 GLU A 68 16.169 -12.873 1.047 1.00 0.00 O ATOM 0 H GLU A 68 11.017 -11.489 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 68 13.747 -12.483 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.118 -12.150 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.093 -13.546 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.158 -14.318 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.081 -14.836 -0.326 1.00 0.00 H new ATOM 1027 N PRO A 69 12.287 -13.772 -3.513 1.00 0.00 N ATOM 1028 CA PRO A 69 11.336 -14.215 -4.534 1.00 0.00 C ATOM 1029 C PRO A 69 10.913 -15.681 -4.430 1.00 0.00 C ATOM 1030 O PRO A 69 11.533 -16.503 -3.750 1.00 0.00 O ATOM 1031 CB PRO A 69 12.021 -13.950 -5.885 1.00 0.00 C ATOM 1032 CG PRO A 69 13.500 -13.968 -5.527 1.00 0.00 C ATOM 1033 CD PRO A 69 13.511 -13.319 -4.146 1.00 0.00 C ATOM 0 HA PRO A 69 10.404 -13.664 -4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.774 -14.716 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.720 -12.992 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.900 -14.982 -5.503 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.098 -13.407 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.388 -13.622 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.539 -12.232 -4.220 1.00 0.00 H new ATOM 1041 N GLY A 70 9.866 -16.026 -5.181 1.00 0.00 N ATOM 1042 CA GLY A 70 9.331 -17.379 -5.306 1.00 0.00 C ATOM 1043 C GLY A 70 8.207 -17.663 -4.313 1.00 0.00 C ATOM 1044 O GLY A 70 7.460 -18.628 -4.504 1.00 0.00 O ATOM 0 H GLY A 70 9.350 -15.345 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.960 -17.526 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.135 -18.099 -5.153 1.00 0.00 H new ATOM 1048 N ILE A 71 8.074 -16.827 -3.283 1.00 0.00 N ATOM 1049 CA ILE A 71 6.939 -16.752 -2.370 1.00 0.00 C ATOM 1050 C ILE A 71 6.022 -15.669 -2.939 1.00 0.00 C ATOM 1051 O ILE A 71 6.481 -14.765 -3.644 1.00 0.00 O ATOM 1052 CB ILE A 71 7.462 -16.468 -0.939 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.883 -17.771 -0.226 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.475 -15.747 -0.004 1.00 0.00 C ATOM 1055 CD1 ILE A 71 8.943 -18.593 -0.959 1.00 0.00 C ATOM 0 H ILE A 71 8.798 -16.146 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 71 6.370 -17.678 -2.288 1.00 0.00 H new ATOM 0 HB ILE A 71 8.306 -15.800 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.260 -17.520 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.998 -18.391 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.940 -15.598 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.209 -14.780 -0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.576 -16.352 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.173 -19.488 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.566 -18.881 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.847 -17.996 -1.079 1.00 0.00 H new ATOM 1067 N ASP A 72 4.724 -15.782 -2.684 1.00 0.00 N ATOM 1068 CA ASP A 72 3.697 -14.842 -3.112 1.00 0.00 C ATOM 1069 C ASP A 72 3.549 -13.779 -2.029 1.00 0.00 C ATOM 1070 O ASP A 72 3.556 -14.097 -0.838 1.00 0.00 O ATOM 1071 CB ASP A 72 2.395 -15.614 -3.344 1.00 0.00 C ATOM 1072 CG ASP A 72 1.245 -14.745 -3.839 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.504 -13.672 -4.431 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.091 -15.231 -3.795 1.00 0.00 O ATOM 0 H ASP A 72 4.343 -16.564 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 72 3.962 -14.347 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.578 -16.407 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.099 -16.097 -2.413 1.00 0.00 H new ATOM 1079 N TYR A 73 3.491 -12.509 -2.417 1.00 0.00 N ATOM 1080 CA TYR A 73 3.611 -11.371 -1.509 1.00 0.00 C ATOM 1081 C TYR A 73 2.311 -10.564 -1.570 1.00 0.00 C ATOM 1082 O TYR A 73 1.986 -10.010 -2.620 1.00 0.00 O ATOM 1083 CB TYR A 73 4.853 -10.535 -1.901 1.00 0.00 C ATOM 1084 CG TYR A 73 6.161 -10.953 -1.235 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.727 -12.199 -1.549 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.850 -10.093 -0.351 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.950 -12.597 -0.982 1.00 0.00 C ATOM 1088 CE2 TYR A 73 8.065 -10.493 0.241 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.612 -11.757 -0.065 1.00 0.00 C ATOM 1090 OH TYR A 73 9.777 -12.183 0.490 1.00 0.00 O ATOM 0 H TYR A 73 3.357 -12.236 -3.390 1.00 0.00 H new ATOM 0 HA TYR A 73 3.756 -11.696 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.981 -10.591 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.659 -9.491 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.217 -12.859 -2.234 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.441 -9.119 -0.126 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.383 -13.549 -1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.576 -9.834 0.927 1.00 0.00 H new ATOM 0 HH TYR A 73 10.118 -11.497 1.101 1.00 0.00 H new ATOM 1100 N ASP A 74 1.583 -10.465 -0.449 1.00 0.00 N ATOM 1101 CA ASP A 74 0.428 -9.567 -0.298 1.00 0.00 C ATOM 1102 C ASP A 74 1.001 -8.210 0.092 1.00 0.00 C ATOM 1103 O ASP A 74 1.589 -8.103 1.172 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.544 -10.004 0.830 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.797 -10.822 0.483 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.747 -11.837 -0.235 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.872 -10.484 1.046 1.00 0.00 O ATOM 0 H ASP A 74 1.781 -11.012 0.389 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.138 -9.565 -1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.033 -10.583 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.877 -9.100 1.341 1.00 0.00 H new ATOM 1112 N ILE A 75 0.894 -7.176 -0.747 1.00 0.00 N ATOM 1113 CA ILE A 75 1.272 -5.820 -0.365 1.00 0.00 C ATOM 1114 C ILE A 75 -0.017 -5.066 -0.077 1.00 0.00 C ATOM 1115 O ILE A 75 -0.767 -4.745 -0.998 1.00 0.00 O ATOM 1116 CB ILE A 75 2.166 -5.121 -1.406 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.352 -5.979 -1.915 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.619 -3.768 -0.824 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.190 -6.387 -3.366 1.00 0.00 C ATOM 0 H ILE A 75 0.545 -7.258 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 75 1.899 -5.844 0.527 1.00 0.00 H new ATOM 0 HB ILE A 75 1.572 -4.960 -2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.279 -5.417 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.442 -6.872 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.254 -3.256 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.745 -3.153 -0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.179 -3.937 0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.047 -6.986 -3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.278 -6.973 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.128 -5.495 -3.990 1.00 0.00 H new ATOM 1131 N SER A 76 -0.314 -4.835 1.203 1.00 0.00 N ATOM 1132 CA SER A 76 -1.468 -4.051 1.623 1.00 0.00 C ATOM 1133 C SER A 76 -1.067 -2.595 1.764 1.00 0.00 C ATOM 1134 O SER A 76 -0.003 -2.298 2.300 1.00 0.00 O ATOM 1135 CB SER A 76 -2.097 -4.636 2.898 1.00 0.00 C ATOM 1136 OG SER A 76 -1.233 -4.666 4.024 1.00 0.00 O ATOM 0 H SER A 76 0.245 -5.190 1.979 1.00 0.00 H new ATOM 0 HA SER A 76 -2.246 -4.101 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.982 -4.052 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.434 -5.651 2.688 1.00 0.00 H new ATOM 0 HG SER A 76 -0.304 -4.576 3.726 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.922 -1.685 1.306 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.718 -0.252 1.404 1.00 0.00 C ATOM 1144 C VAL A 77 -3.051 0.318 1.882 1.00 0.00 C ATOM 1145 O VAL A 77 -4.108 -0.009 1.322 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.276 0.324 0.044 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.875 1.812 0.145 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.177 -0.534 -0.618 1.00 0.00 C ATOM 0 H VAL A 77 -2.797 -1.935 0.845 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.922 0.011 2.101 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.144 0.281 -0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.571 2.174 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.725 2.395 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.045 1.919 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.104 -0.091 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.696 -0.574 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.553 -1.544 -0.783 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.040 1.145 2.927 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.238 1.778 3.467 1.00 0.00 C ATOM 1160 C ILE A 78 -3.927 3.262 3.641 1.00 0.00 C ATOM 1161 O ILE A 78 -2.880 3.630 4.182 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.703 1.104 4.782 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.689 -0.444 4.688 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -6.110 1.630 5.115 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.629 -1.169 5.659 1.00 0.00 C ATOM 0 H ILE A 78 -2.187 1.396 3.427 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.077 1.658 2.781 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.006 1.359 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.952 -0.732 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.672 -0.793 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.461 1.170 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.074 2.712 5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.793 1.381 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.544 -2.246 5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.356 -0.920 6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.657 -0.858 5.471 1.00 0.00 H new ATOM 1177 N THR A 79 -4.825 4.116 3.156 1.00 0.00 N ATOM 1178 CA THR A 79 -4.746 5.542 3.418 1.00 0.00 C ATOM 1179 C THR A 79 -5.386 5.784 4.788 1.00 0.00 C ATOM 1180 O THR A 79 -6.374 5.132 5.131 1.00 0.00 O ATOM 1181 CB THR A 79 -5.502 6.302 2.320 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.143 5.846 1.027 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.248 7.807 2.434 1.00 0.00 C ATOM 0 H THR A 79 -5.618 3.839 2.577 1.00 0.00 H new ATOM 0 HA THR A 79 -3.714 5.894 3.419 1.00 0.00 H new ATOM 0 HB THR A 79 -6.565 6.108 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.796 5.182 0.721 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.793 8.329 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.589 8.161 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.181 8.005 2.330 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.856 6.730 5.566 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.435 7.153 6.824 1.00 0.00 C ATOM 1193 C LEU A 80 -5.621 8.665 6.761 1.00 0.00 C ATOM 1194 O LEU A 80 -4.684 9.399 6.423 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.538 6.812 8.011 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.014 6.920 7.801 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.385 7.345 9.133 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.416 5.598 7.313 1.00 0.00 C ATOM 0 H LEU A 80 -3.998 7.227 5.327 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.382 6.632 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.811 7.466 8.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.764 5.792 8.322 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.803 7.659 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.305 7.430 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.793 8.309 9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.609 6.599 9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.341 5.713 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.607 4.818 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.874 5.320 6.364 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.819 9.136 7.095 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.116 10.560 7.177 1.00 0.00 C ATOM 1212 C ILE A 81 -7.468 10.922 8.617 1.00 0.00 C ATOM 1213 O ILE A 81 -7.549 10.046 9.476 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.172 10.985 6.122 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.598 10.517 6.474 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.780 10.486 4.720 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.699 11.175 5.634 1.00 0.00 C ATOM 0 H ILE A 81 -7.614 8.537 7.317 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.232 11.143 6.918 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.184 12.075 6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.656 9.436 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.787 10.724 7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.536 10.797 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.815 10.909 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.711 9.398 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.671 10.792 5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.671 12.255 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.538 10.947 4.580 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.668 12.220 8.863 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.281 12.782 10.063 1.00 0.00 C ATOM 1231 C ASN A 82 -9.389 11.860 10.568 1.00 0.00 C ATOM 1232 O ASN A 82 -10.452 11.819 9.949 1.00 0.00 O ATOM 1233 CB ASN A 82 -8.854 14.160 9.695 1.00 0.00 C ATOM 1234 CG ASN A 82 -9.826 14.713 10.724 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -9.440 15.464 11.615 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.093 14.356 10.592 1.00 0.00 N ATOM 0 H ASN A 82 -7.392 12.940 8.196 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.543 12.882 10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.031 14.864 9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.360 14.088 8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.793 14.707 11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.370 13.729 9.836 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.126 11.127 11.652 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.028 10.167 12.270 1.00 0.00 C ATOM 1245 C GLY A 83 -10.754 9.244 11.289 1.00 0.00 C ATOM 1246 O GLY A 83 -11.872 8.836 11.598 1.00 0.00 O ATOM 0 H GLY A 83 -8.234 11.194 12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.460 9.555 12.970 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.771 10.711 12.853 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.199 8.973 10.108 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.974 8.481 8.986 1.00 0.00 C ATOM 1252 C GLY A 84 -10.199 7.384 8.270 1.00 0.00 C ATOM 1253 O GLY A 84 -8.970 7.431 8.155 1.00 0.00 O ATOM 0 H GLY A 84 -9.205 9.090 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.932 8.095 9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.191 9.296 8.296 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.931 6.394 7.770 1.00 0.00 N ATOM 1258 CA GLU A 85 -10.397 5.102 7.377 1.00 0.00 C ATOM 1259 C GLU A 85 -10.851 4.804 5.953 1.00 0.00 C ATOM 1260 O GLU A 85 -12.056 4.707 5.690 1.00 0.00 O ATOM 1261 CB GLU A 85 -10.938 4.040 8.350 1.00 0.00 C ATOM 1262 CG GLU A 85 -10.252 4.077 9.725 1.00 0.00 C ATOM 1263 CD GLU A 85 -10.659 2.896 10.609 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -10.746 1.756 10.115 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -10.868 3.102 11.832 1.00 0.00 O ATOM 0 H GLU A 85 -11.937 6.474 7.625 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.308 5.098 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.010 4.188 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.805 3.052 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.171 4.071 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.504 5.010 10.230 1.00 0.00 H new ATOM 1272 N SER A 86 -9.912 4.673 5.020 1.00 0.00 N ATOM 1273 CA SER A 86 -10.222 4.297 3.650 1.00 0.00 C ATOM 1274 C SER A 86 -10.295 2.768 3.566 1.00 0.00 C ATOM 1275 O SER A 86 -10.146 2.062 4.571 1.00 0.00 O ATOM 1276 CB SER A 86 -9.218 4.924 2.690 1.00 0.00 C ATOM 1277 OG SER A 86 -8.785 6.186 3.155 1.00 0.00 O ATOM 0 H SER A 86 -8.919 4.825 5.195 1.00 0.00 H new ATOM 0 HA SER A 86 -11.195 4.683 3.346 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.360 4.262 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.672 5.033 1.705 1.00 0.00 H new ATOM 0 HG SER A 86 -8.712 6.806 2.399 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.551 2.244 2.372 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.595 0.801 2.184 1.00 0.00 C ATOM 1285 C ALA A 87 -9.161 0.267 2.207 1.00 0.00 C ATOM 1286 O ALA A 87 -8.260 0.952 1.706 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.285 0.444 0.862 1.00 0.00 C ATOM 0 H ALA A 87 -10.729 2.791 1.530 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.173 0.343 2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.306 -0.639 0.743 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.305 0.828 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.735 0.889 0.033 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.933 -0.970 2.677 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.694 -1.658 2.384 1.00 0.00 C ATOM 1295 C PRO A 88 -7.616 -1.828 0.868 1.00 0.00 C ATOM 1296 O PRO A 88 -8.613 -2.138 0.208 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.772 -2.991 3.134 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.272 -3.265 3.229 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.888 -1.867 3.311 1.00 0.00 C ATOM 0 HA PRO A 88 -6.796 -1.127 2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.253 -3.784 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.314 -2.923 4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.635 -3.813 2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.516 -3.863 4.107 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.851 -1.835 2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.065 -1.579 4.347 1.00 0.00 H new ATOM 1307 N THR A 89 -6.445 -1.603 0.286 1.00 0.00 N ATOM 1308 CA THR A 89 -6.178 -1.956 -1.095 1.00 0.00 C ATOM 1309 C THR A 89 -4.886 -2.748 -1.075 1.00 0.00 C ATOM 1310 O THR A 89 -3.791 -2.195 -0.973 1.00 0.00 O ATOM 1311 CB THR A 89 -6.243 -0.720 -1.993 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.599 -0.293 -1.957 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.861 -1.035 -3.441 1.00 0.00 C ATOM 0 H THR A 89 -5.654 -1.169 0.763 1.00 0.00 H new ATOM 0 HA THR A 89 -6.934 -2.595 -1.552 1.00 0.00 H new ATOM 0 HB THR A 89 -5.542 0.036 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.832 0.128 -2.811 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.922 -0.126 -4.039 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.843 -1.422 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.546 -1.781 -3.844 1.00 0.00 H new ATOM 1321 N THR A 90 -5.054 -4.063 -1.054 1.00 0.00 N ATOM 1322 CA THR A 90 -3.984 -5.023 -1.167 1.00 0.00 C ATOM 1323 C THR A 90 -3.897 -5.410 -2.643 1.00 0.00 C ATOM 1324 O THR A 90 -4.898 -5.393 -3.373 1.00 0.00 O ATOM 1325 CB THR A 90 -4.267 -6.200 -0.208 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.733 -5.708 1.047 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.056 -7.103 0.031 1.00 0.00 C ATOM 0 H THR A 90 -5.972 -4.497 -0.954 1.00 0.00 H new ATOM 0 HA THR A 90 -3.011 -4.631 -0.869 1.00 0.00 H new ATOM 0 HB THR A 90 -5.029 -6.807 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.911 -6.461 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.331 -7.907 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.727 -7.529 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.246 -6.518 0.466 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.688 -5.737 -3.083 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.438 -6.394 -4.350 1.00 0.00 C ATOM 1337 C LEU A 91 -1.483 -7.534 -4.023 1.00 0.00 C ATOM 1338 O LEU A 91 -0.540 -7.325 -3.254 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.909 -5.401 -5.399 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.864 -5.220 -6.592 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.525 -3.923 -7.329 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -2.772 -6.406 -7.557 1.00 0.00 C ATOM 0 H LEU A 91 -1.838 -5.546 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.342 -6.791 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.742 -4.434 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.942 -5.748 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.884 -5.170 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.202 -3.797 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.633 -3.079 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.498 -3.968 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.457 -6.251 -8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.753 -6.489 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.040 -7.323 -7.033 1.00 0.00 H new ATOM 1354 N THR A 92 -1.732 -8.725 -4.556 1.00 0.00 N ATOM 1355 CA THR A 92 -0.928 -9.912 -4.296 1.00 0.00 C ATOM 1356 C THR A 92 -0.382 -10.411 -5.636 1.00 0.00 C ATOM 1357 O THR A 92 -1.060 -10.293 -6.663 1.00 0.00 O ATOM 1358 CB THR A 92 -1.752 -10.927 -3.476 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.899 -11.797 -2.771 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.740 -11.739 -4.318 1.00 0.00 C ATOM 0 H THR A 92 -2.512 -8.895 -5.192 1.00 0.00 H new ATOM 0 HA THR A 92 -0.057 -9.710 -3.672 1.00 0.00 H new ATOM 0 HB THR A 92 -2.347 -10.337 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.157 -11.813 -1.826 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.283 -12.431 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.446 -11.064 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.195 -12.301 -5.077 1.00 0.00 H new ATOM 1368 N GLN A 93 0.869 -10.870 -5.657 1.00 0.00 N ATOM 1369 CA GLN A 93 1.614 -11.216 -6.862 1.00 0.00 C ATOM 1370 C GLN A 93 2.833 -12.033 -6.421 1.00 0.00 C ATOM 1371 O GLN A 93 3.490 -11.680 -5.432 1.00 0.00 O ATOM 1372 CB GLN A 93 2.090 -9.922 -7.561 1.00 0.00 C ATOM 1373 CG GLN A 93 2.302 -9.991 -9.075 1.00 0.00 C ATOM 1374 CD GLN A 93 0.999 -9.944 -9.866 1.00 0.00 C ATOM 1375 OE1 GLN A 93 0.168 -9.057 -9.696 1.00 0.00 O ATOM 1376 NE2 GLN A 93 0.779 -10.892 -10.761 1.00 0.00 N ATOM 0 H GLN A 93 1.409 -11.015 -4.804 1.00 0.00 H new ATOM 0 HA GLN A 93 0.993 -11.783 -7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.361 -9.138 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.029 -9.613 -7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.938 -9.162 -9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.835 -10.910 -9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.469 -11.630 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.081 -10.886 -11.310 1.00 0.00 H new ATOM 1385 N GLN A 94 3.180 -13.076 -7.169 1.00 0.00 N ATOM 1386 CA GLN A 94 4.500 -13.675 -7.088 1.00 0.00 C ATOM 1387 C GLN A 94 5.355 -13.082 -8.222 1.00 0.00 C ATOM 1388 O GLN A 94 4.808 -12.578 -9.211 1.00 0.00 O ATOM 1389 CB GLN A 94 4.380 -15.200 -7.243 1.00 0.00 C ATOM 1390 CG GLN A 94 5.466 -15.949 -6.460 1.00 0.00 C ATOM 1391 CD GLN A 94 5.636 -17.388 -6.920 1.00 0.00 C ATOM 1392 OE1 GLN A 94 6.655 -17.772 -7.485 1.00 0.00 O ATOM 1393 NE2 GLN A 94 4.667 -18.245 -6.672 1.00 0.00 N ATOM 0 H GLN A 94 2.557 -13.524 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 94 4.965 -13.466 -6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.398 -15.522 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.449 -15.463 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.414 -15.423 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.216 -15.938 -5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.817 -17.932 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.766 -19.222 -6.949 1.00 0.00 H new ATOM 1402 N THR A 95 6.674 -13.268 -8.134 1.00 0.00 N ATOM 1403 CA THR A 95 7.671 -12.992 -9.170 1.00 0.00 C ATOM 1404 C THR A 95 7.503 -11.584 -9.742 1.00 0.00 C ATOM 1405 O THR A 95 7.843 -10.630 -9.017 1.00 0.00 O ATOM 1406 CB THR A 95 7.707 -14.126 -10.220 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.444 -14.310 -10.820 1.00 0.00 O ATOM 1408 CG2 THR A 95 8.101 -15.474 -9.610 1.00 0.00 C ATOM 1409 OXT THR A 95 7.028 -11.442 -10.891 1.00 0.00 O ATOM 0 H THR A 95 7.100 -13.638 -7.285 1.00 0.00 H new ATOM 0 HA THR A 95 8.665 -12.990 -8.722 1.00 0.00 H new ATOM 0 HB THR A 95 8.451 -13.814 -10.953 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.024 -13.438 -10.973 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.111 -16.237 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.093 -15.396 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.379 -15.750 -8.841 1.00 0.00 H new