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 61 TYR OH : rot -157:sc= 1.21 USER MOD Set 1.2: A 63 THR OG1 : rot 10:sc= 0.63 USER MOD Set 2.1: A 18 THR OG1 : rot -126:sc= 0.781 USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0.739 USER MOD Set 2.3: A 21 SER OG : rot 180:sc= -0.185 USER MOD Single : A 8 GLN : amide:sc= -0.307 K(o=-0.31,f=-3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00782 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 27 THR OG1 : rot 33:sc= 0.97 USER MOD Single : A 30 ASN : amide:sc= -0.0188 X(o=-0.019,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.408 USER MOD Single : A 32 SER OG : rot 60:sc= 0.0826 USER MOD Single : A 33 THR OG1 : rot 60:sc= 0.668 USER MOD Single : A 37 TYR OH : rot 139:sc= 1.93 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.23 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 62 TYR OH : rot -154:sc= 1.22 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0.00264 USER MOD Single : A 76 SER OG : rot -19:sc= 0.714 USER MOD Single : A 79 THR OG1 : rot 140:sc=-0.000593 USER MOD Single : A 82 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.077) USER MOD Single : A 86 SER OG : rot 60:sc= -0.224 USER MOD Single : A 89 THR OG1 : rot 41:sc= 0.991 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0397 USER MOD Single : A 92 THR OG1 : rot 125:sc= 1.25 USER MOD Single : A 93 GLN : amide:sc=-0.00416 K(o=-0.0042,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 100:sc= 0.826 USER MOD ----------------------------------------------------------------- ATOM 77 N VAL A 6 -14.569 7.174 3.162 1.00 0.00 N ATOM 78 CA VAL A 6 -13.233 7.657 2.811 1.00 0.00 C ATOM 79 C VAL A 6 -12.850 7.053 1.446 1.00 0.00 C ATOM 80 O VAL A 6 -13.019 5.846 1.273 1.00 0.00 O ATOM 81 CB VAL A 6 -12.240 7.239 3.922 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.879 7.902 3.701 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.713 7.568 5.349 1.00 0.00 C ATOM 0 HA VAL A 6 -13.208 8.744 2.732 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.170 6.154 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.193 7.597 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.478 7.596 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.995 8.986 3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -11.960 7.242 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.863 8.643 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.652 7.051 5.549 1.00 0.00 H new ATOM 93 N PRO A 7 -12.316 7.825 0.479 1.00 0.00 N ATOM 94 CA PRO A 7 -12.014 7.331 -0.864 1.00 0.00 C ATOM 95 C PRO A 7 -10.682 6.565 -0.899 1.00 0.00 C ATOM 96 O PRO A 7 -9.632 7.120 -0.564 1.00 0.00 O ATOM 97 CB PRO A 7 -11.998 8.572 -1.754 1.00 0.00 C ATOM 98 CG PRO A 7 -11.543 9.682 -0.810 1.00 0.00 C ATOM 99 CD PRO A 7 -12.141 9.270 0.535 1.00 0.00 C ATOM 0 HA PRO A 7 -12.755 6.610 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.314 8.454 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.983 8.779 -2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.456 9.749 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.909 10.657 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.481 9.550 1.356 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.094 9.771 0.707 1.00 0.00 H new ATOM 107 N GLN A 8 -10.709 5.299 -1.324 1.00 0.00 N ATOM 108 CA GLN A 8 -9.531 4.445 -1.435 1.00 0.00 C ATOM 109 C GLN A 8 -8.693 4.820 -2.652 1.00 0.00 C ATOM 110 O GLN A 8 -9.168 5.551 -3.523 1.00 0.00 O ATOM 111 CB GLN A 8 -9.946 2.970 -1.347 1.00 0.00 C ATOM 112 CG GLN A 8 -10.651 2.455 -2.604 1.00 0.00 C ATOM 113 CD GLN A 8 -9.781 1.510 -3.424 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.972 1.939 -4.235 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.890 0.206 -3.248 1.00 0.00 N ATOM 0 H GLN A 8 -11.571 4.832 -1.606 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.861 4.610 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.060 2.362 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.607 2.838 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.567 1.940 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.943 3.302 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.561 -0.163 -2.575 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.303 -0.432 -3.786 1.00 0.00 H new ATOM 124 N LEU A 9 -7.436 4.374 -2.700 1.00 0.00 N ATOM 125 CA LEU A 9 -6.541 4.683 -3.811 1.00 0.00 C ATOM 126 C LEU A 9 -6.919 3.870 -5.052 1.00 0.00 C ATOM 127 O LEU A 9 -6.258 2.893 -5.412 1.00 0.00 O ATOM 128 CB LEU A 9 -5.068 4.493 -3.421 1.00 0.00 C ATOM 129 CG LEU A 9 -4.482 5.615 -2.549 1.00 0.00 C ATOM 130 CD1 LEU A 9 -3.103 5.158 -2.058 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.356 6.944 -3.307 1.00 0.00 C ATOM 0 H LEU A 9 -7.015 3.793 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.662 5.737 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.967 3.548 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.474 4.411 -4.331 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.158 5.798 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.662 5.936 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.209 4.243 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.456 4.969 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.937 7.702 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.700 6.811 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.341 7.264 -3.647 1.00 0.00 H new ATOM 143 N THR A 10 -7.930 4.345 -5.769 1.00 0.00 N ATOM 144 CA THR A 10 -8.335 3.915 -7.104 1.00 0.00 C ATOM 145 C THR A 10 -7.185 4.021 -8.129 1.00 0.00 C ATOM 146 O THR A 10 -7.268 3.478 -9.234 1.00 0.00 O ATOM 147 CB THR A 10 -9.567 4.757 -7.496 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.543 4.644 -6.472 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.214 4.302 -8.803 1.00 0.00 C ATOM 0 H THR A 10 -8.529 5.089 -5.411 1.00 0.00 H new ATOM 0 HA THR A 10 -8.595 2.857 -7.100 1.00 0.00 H new ATOM 0 HB THR A 10 -9.220 5.782 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.330 5.177 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.074 4.934 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.490 4.380 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.540 3.266 -8.706 1.00 0.00 H new ATOM 157 N ASP A 11 -6.075 4.670 -7.772 1.00 0.00 N ATOM 158 CA ASP A 11 -4.875 4.758 -8.590 1.00 0.00 C ATOM 159 C ASP A 11 -3.684 3.980 -8.026 1.00 0.00 C ATOM 160 O ASP A 11 -2.593 4.058 -8.577 1.00 0.00 O ATOM 161 CB ASP A 11 -4.550 6.229 -8.831 1.00 0.00 C ATOM 162 CG ASP A 11 -3.540 6.402 -9.959 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.641 5.706 -10.997 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.685 7.305 -9.856 1.00 0.00 O ATOM 0 H ASP A 11 -5.989 5.160 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.080 4.270 -9.543 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.465 6.769 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.154 6.669 -7.916 1.00 0.00 H new ATOM 169 N LEU A 12 -3.874 3.219 -6.943 1.00 0.00 N ATOM 170 CA LEU A 12 -2.859 2.292 -6.429 1.00 0.00 C ATOM 171 C LEU A 12 -2.452 1.307 -7.528 1.00 0.00 C ATOM 172 O LEU A 12 -3.299 0.538 -7.999 1.00 0.00 O ATOM 173 CB LEU A 12 -3.378 1.570 -5.164 1.00 0.00 C ATOM 174 CG LEU A 12 -2.376 0.745 -4.332 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.017 -0.621 -4.933 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.131 1.552 -3.962 1.00 0.00 C ATOM 0 H LEU A 12 -4.736 3.228 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.970 2.851 -6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.816 2.322 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.185 0.904 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.909 0.514 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.307 -1.130 -4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.919 -1.225 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.569 -0.479 -5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.455 0.929 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.627 1.880 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.423 2.422 -3.374 1.00 0.00 H new ATOM 188 N SER A 13 -1.177 1.327 -7.908 1.00 0.00 N ATOM 189 CA SER A 13 -0.517 0.320 -8.718 1.00 0.00 C ATOM 190 C SER A 13 0.900 0.086 -8.205 1.00 0.00 C ATOM 191 O SER A 13 1.423 0.866 -7.404 1.00 0.00 O ATOM 192 CB SER A 13 -0.561 0.712 -10.205 1.00 0.00 C ATOM 193 OG SER A 13 0.037 1.971 -10.447 1.00 0.00 O ATOM 0 H SER A 13 -0.549 2.086 -7.643 1.00 0.00 H new ATOM 0 HA SER A 13 -1.048 -0.628 -8.632 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.050 -0.049 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.597 0.734 -10.542 1.00 0.00 H new ATOM 0 HG SER A 13 -0.012 2.178 -11.404 1.00 0.00 H new ATOM 199 N PHE A 14 1.533 -1.005 -8.637 1.00 0.00 N ATOM 200 CA PHE A 14 2.964 -1.205 -8.493 1.00 0.00 C ATOM 201 C PHE A 14 3.594 -1.079 -9.863 1.00 0.00 C ATOM 202 O PHE A 14 2.938 -1.286 -10.884 1.00 0.00 O ATOM 203 CB PHE A 14 3.244 -2.583 -7.907 1.00 0.00 C ATOM 204 CG PHE A 14 2.531 -2.900 -6.615 1.00 0.00 C ATOM 205 CD1 PHE A 14 2.136 -1.895 -5.706 1.00 0.00 C ATOM 206 CD2 PHE A 14 2.225 -4.240 -6.352 1.00 0.00 C ATOM 207 CE1 PHE A 14 1.361 -2.225 -4.584 1.00 0.00 C ATOM 208 CE2 PHE A 14 1.491 -4.567 -5.213 1.00 0.00 C ATOM 209 CZ PHE A 14 1.025 -3.560 -4.351 1.00 0.00 C ATOM 0 H PHE A 14 1.057 -1.779 -9.100 1.00 0.00 H new ATOM 0 HA PHE A 14 3.384 -0.460 -7.817 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.969 -3.335 -8.647 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.317 -2.676 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.431 -0.870 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.555 -5.016 -7.027 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.027 -1.453 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.279 -5.602 -4.991 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.405 -3.819 -3.506 1.00 0.00 H new ATOM 219 N VAL A 15 4.866 -0.729 -9.892 1.00 0.00 N ATOM 220 CA VAL A 15 5.727 -0.600 -11.028 1.00 0.00 C ATOM 221 C VAL A 15 7.128 -1.038 -10.610 1.00 0.00 C ATOM 222 O VAL A 15 7.351 -1.291 -9.430 1.00 0.00 O ATOM 223 CB VAL A 15 5.628 0.828 -11.583 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.230 1.483 -11.572 1.00 0.00 C ATOM 225 CG2 VAL A 15 6.477 1.830 -10.785 1.00 0.00 C ATOM 0 H VAL A 15 5.361 -0.508 -9.028 1.00 0.00 H new ATOM 0 HA VAL A 15 5.432 -1.247 -11.854 1.00 0.00 H new ATOM 0 HB VAL A 15 5.961 0.659 -12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.296 2.488 -11.989 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.543 0.885 -12.172 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.862 1.539 -10.547 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.371 2.824 -11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.139 1.849 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.524 1.529 -10.820 1.00 0.00 H new ATOM 235 N ASP A 16 8.081 -1.104 -11.542 1.00 0.00 N ATOM 236 CA ASP A 16 9.497 -1.362 -11.262 1.00 0.00 C ATOM 237 C ASP A 16 9.640 -2.571 -10.336 1.00 0.00 C ATOM 238 O ASP A 16 10.372 -2.543 -9.347 1.00 0.00 O ATOM 239 CB ASP A 16 10.206 -0.091 -10.736 1.00 0.00 C ATOM 240 CG ASP A 16 10.145 1.082 -11.715 1.00 0.00 C ATOM 241 OD1 ASP A 16 10.154 0.834 -12.947 1.00 0.00 O ATOM 242 OD2 ASP A 16 9.985 2.245 -11.274 1.00 0.00 O ATOM 0 H ASP A 16 7.886 -0.977 -12.535 1.00 0.00 H new ATOM 0 HA ASP A 16 10.007 -1.617 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.749 0.208 -9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.249 -0.326 -10.525 1.00 0.00 H new ATOM 247 N ILE A 17 8.884 -3.631 -10.644 1.00 0.00 N ATOM 248 CA ILE A 17 8.842 -4.885 -9.898 1.00 0.00 C ATOM 249 C ILE A 17 10.075 -5.685 -10.330 1.00 0.00 C ATOM 250 O ILE A 17 9.961 -6.722 -10.983 1.00 0.00 O ATOM 251 CB ILE A 17 7.487 -5.610 -10.148 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.252 -4.701 -9.890 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.335 -6.867 -9.265 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.456 -4.419 -11.169 1.00 0.00 C ATOM 0 H ILE A 17 8.262 -3.635 -11.452 1.00 0.00 H new ATOM 0 HA ILE A 17 8.883 -4.739 -8.819 1.00 0.00 H new ATOM 0 HB ILE A 17 7.513 -5.887 -11.202 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.600 -5.177 -9.158 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.583 -3.758 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.376 -7.343 -9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.142 -7.566 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.380 -6.581 -8.214 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.604 -3.780 -10.934 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.097 -3.917 -11.893 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.099 -5.359 -11.590 1.00 0.00 H new ATOM 266 N THR A 18 11.264 -5.141 -10.084 1.00 0.00 N ATOM 267 CA THR A 18 12.514 -5.879 -10.211 1.00 0.00 C ATOM 268 C THR A 18 12.543 -7.017 -9.178 1.00 0.00 C ATOM 269 O THR A 18 11.807 -7.044 -8.191 1.00 0.00 O ATOM 270 CB THR A 18 13.725 -4.912 -10.147 1.00 0.00 C ATOM 271 OG1 THR A 18 14.973 -5.572 -10.018 1.00 0.00 O ATOM 272 CG2 THR A 18 13.678 -3.860 -9.045 1.00 0.00 C ATOM 0 H THR A 18 11.386 -4.172 -9.790 1.00 0.00 H new ATOM 0 HA THR A 18 12.585 -6.355 -11.189 1.00 0.00 H new ATOM 0 HB THR A 18 13.639 -4.414 -11.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.450 -5.220 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.574 -3.241 -9.095 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.796 -3.234 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.631 -4.352 -8.074 1.00 0.00 H new ATOM 280 N ASP A 19 13.478 -7.939 -9.367 1.00 0.00 N ATOM 281 CA ASP A 19 13.818 -8.998 -8.423 1.00 0.00 C ATOM 282 C ASP A 19 14.623 -8.450 -7.231 1.00 0.00 C ATOM 283 O ASP A 19 15.130 -9.225 -6.421 1.00 0.00 O ATOM 284 CB ASP A 19 14.585 -10.085 -9.192 1.00 0.00 C ATOM 285 CG ASP A 19 14.601 -11.440 -8.490 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.534 -12.096 -8.471 1.00 0.00 O ATOM 287 OD2 ASP A 19 15.686 -11.877 -8.039 1.00 0.00 O ATOM 0 H ASP A 19 14.043 -7.972 -10.215 1.00 0.00 H new ATOM 0 HA ASP A 19 12.912 -9.428 -7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.138 -10.203 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.612 -9.753 -9.345 1.00 0.00 H new ATOM 292 N SER A 20 14.822 -7.128 -7.150 1.00 0.00 N ATOM 293 CA SER A 20 15.657 -6.412 -6.186 1.00 0.00 C ATOM 294 C SER A 20 14.990 -5.287 -5.394 1.00 0.00 C ATOM 295 O SER A 20 15.677 -4.596 -4.633 1.00 0.00 O ATOM 296 CB SER A 20 16.913 -5.973 -6.930 1.00 0.00 C ATOM 297 OG SER A 20 16.696 -4.905 -7.847 1.00 0.00 O ATOM 0 H SER A 20 14.370 -6.489 -7.804 1.00 0.00 H new ATOM 0 HA SER A 20 15.893 -7.101 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.666 -5.668 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.320 -6.827 -7.471 1.00 0.00 H new ATOM 0 HG SER A 20 17.541 -4.674 -8.286 1.00 0.00 H new ATOM 303 N SER A 21 13.712 -5.024 -5.645 1.00 0.00 N ATOM 304 CA SER A 21 12.842 -4.016 -5.028 1.00 0.00 C ATOM 305 C SER A 21 11.464 -4.051 -5.714 1.00 0.00 C ATOM 306 O SER A 21 11.351 -4.605 -6.809 1.00 0.00 O ATOM 307 CB SER A 21 13.452 -2.589 -5.047 1.00 0.00 C ATOM 308 OG SER A 21 14.566 -2.402 -5.914 1.00 0.00 O ATOM 0 H SER A 21 13.207 -5.559 -6.351 1.00 0.00 H new ATOM 0 HA SER A 21 12.733 -4.268 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.671 -1.884 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.758 -2.332 -4.033 1.00 0.00 H new ATOM 0 HG SER A 21 14.875 -1.474 -5.855 1.00 0.00 H new ATOM 314 N ILE A 22 10.446 -3.405 -5.129 1.00 0.00 N ATOM 315 CA ILE A 22 9.191 -3.118 -5.833 1.00 0.00 C ATOM 316 C ILE A 22 8.959 -1.612 -5.773 1.00 0.00 C ATOM 317 O ILE A 22 9.213 -0.993 -4.737 1.00 0.00 O ATOM 318 CB ILE A 22 8.016 -3.969 -5.282 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.910 -4.086 -6.348 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.427 -3.426 -3.971 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.688 -4.912 -5.916 1.00 0.00 C ATOM 0 H ILE A 22 10.469 -3.070 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 22 9.256 -3.410 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 22 8.426 -4.952 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.577 -3.084 -6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.335 -4.534 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.611 -4.070 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.202 -3.406 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.050 -2.416 -4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.962 -4.940 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.002 -5.928 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.232 -4.455 -5.038 1.00 0.00 H new ATOM 333 N GLY A 23 8.473 -1.018 -6.859 1.00 0.00 N ATOM 334 CA GLY A 23 8.004 0.354 -6.888 1.00 0.00 C ATOM 335 C GLY A 23 6.491 0.374 -6.721 1.00 0.00 C ATOM 336 O GLY A 23 5.795 -0.587 -7.050 1.00 0.00 O ATOM 0 H GLY A 23 8.395 -1.491 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.477 0.929 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.283 0.826 -7.830 1.00 0.00 H new ATOM 340 N LEU A 24 5.957 1.500 -6.268 1.00 0.00 N ATOM 341 CA LEU A 24 4.533 1.766 -6.137 1.00 0.00 C ATOM 342 C LEU A 24 4.228 3.061 -6.862 1.00 0.00 C ATOM 343 O LEU A 24 5.093 3.932 -6.979 1.00 0.00 O ATOM 344 CB LEU A 24 4.110 1.890 -4.673 1.00 0.00 C ATOM 345 CG LEU A 24 4.223 0.566 -3.895 1.00 0.00 C ATOM 346 CD1 LEU A 24 5.438 0.598 -2.977 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.979 0.321 -3.040 1.00 0.00 C ATOM 0 H LEU A 24 6.532 2.288 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 24 3.978 0.932 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.728 2.644 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.080 2.244 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 24 4.322 -0.236 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.507 -0.344 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.340 0.740 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.337 1.420 -2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.087 -0.621 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.862 1.136 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.100 0.273 -3.682 1.00 0.00 H new ATOM 359 N ARG A 25 2.984 3.213 -7.307 1.00 0.00 N ATOM 360 CA ARG A 25 2.485 4.455 -7.861 1.00 0.00 C ATOM 361 C ARG A 25 1.071 4.643 -7.335 1.00 0.00 C ATOM 362 O ARG A 25 0.342 3.661 -7.206 1.00 0.00 O ATOM 363 CB ARG A 25 2.540 4.330 -9.389 1.00 0.00 C ATOM 364 CG ARG A 25 2.369 5.664 -10.114 1.00 0.00 C ATOM 365 CD ARG A 25 2.158 5.406 -11.616 1.00 0.00 C ATOM 366 NE ARG A 25 1.440 6.520 -12.245 1.00 0.00 N ATOM 367 CZ ARG A 25 0.149 6.815 -12.046 1.00 0.00 C ATOM 368 NH1 ARG A 25 -0.673 5.960 -11.436 1.00 0.00 N ATOM 369 NH2 ARG A 25 -0.288 8.001 -12.436 1.00 0.00 N ATOM 0 H ARG A 25 2.291 2.465 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 25 3.073 5.327 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.495 3.889 -9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.760 3.644 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.517 6.207 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.249 6.289 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.123 5.269 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.596 4.482 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 25 1.965 7.117 -12.884 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.322 5.060 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.653 6.207 -11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.353 8.662 -12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.266 8.255 -12.298 1.00 0.00 H new ATOM 383 N TRP A 26 0.683 5.871 -6.996 1.00 0.00 N ATOM 384 CA TRP A 26 -0.707 6.236 -6.746 1.00 0.00 C ATOM 385 C TRP A 26 -0.900 7.756 -6.916 1.00 0.00 C ATOM 386 O TRP A 26 0.008 8.472 -7.343 1.00 0.00 O ATOM 387 CB TRP A 26 -1.156 5.678 -5.379 1.00 0.00 C ATOM 388 CG TRP A 26 -0.462 6.215 -4.171 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.704 7.402 -3.576 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.600 5.589 -3.393 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.178 7.581 -2.537 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.041 6.519 -2.412 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.280 4.355 -3.453 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.163 6.286 -1.606 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.362 4.083 -2.592 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.845 5.061 -1.710 1.00 0.00 C ATOM 0 H TRP A 26 1.334 6.649 -6.886 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.364 5.778 -7.485 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.224 5.867 -5.269 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.024 4.596 -5.394 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.471 8.102 -3.870 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.190 8.402 -1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.967 3.609 -4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.501 7.041 -0.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.826 3.108 -2.612 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.729 4.875 -1.118 1.00 0.00 H new ATOM 407 N THR A 27 -2.095 8.259 -6.607 1.00 0.00 N ATOM 408 CA THR A 27 -2.485 9.660 -6.700 1.00 0.00 C ATOM 409 C THR A 27 -2.343 10.262 -5.299 1.00 0.00 C ATOM 410 O THR A 27 -3.100 9.838 -4.423 1.00 0.00 O ATOM 411 CB THR A 27 -3.933 9.727 -7.224 1.00 0.00 C ATOM 412 OG1 THR A 27 -4.005 9.338 -8.584 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.578 11.114 -7.166 1.00 0.00 C ATOM 0 H THR A 27 -2.854 7.668 -6.268 1.00 0.00 H new ATOM 0 HA THR A 27 -1.860 10.227 -7.390 1.00 0.00 H new ATOM 0 HB THR A 27 -4.469 9.053 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.332 8.649 -8.763 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.594 11.059 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.604 11.460 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.996 11.812 -7.768 1.00 0.00 H new ATOM 421 N PRO A 28 -1.340 11.113 -5.002 1.00 0.00 N ATOM 422 CA PRO A 28 -1.269 11.754 -3.703 1.00 0.00 C ATOM 423 C PRO A 28 -2.547 12.566 -3.477 1.00 0.00 C ATOM 424 O PRO A 28 -2.991 13.330 -4.337 1.00 0.00 O ATOM 425 CB PRO A 28 -0.007 12.613 -3.710 1.00 0.00 C ATOM 426 CG PRO A 28 0.243 12.914 -5.182 1.00 0.00 C ATOM 427 CD PRO A 28 -0.426 11.760 -5.930 1.00 0.00 C ATOM 0 HA PRO A 28 -1.207 11.042 -2.880 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.147 13.529 -3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.835 12.084 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.186 13.874 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.310 12.963 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.963 12.129 -6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.320 11.052 -6.290 1.00 0.00 H new ATOM 435 N LEU A 29 -3.177 12.342 -2.333 1.00 0.00 N ATOM 436 CA LEU A 29 -4.427 12.934 -1.903 1.00 0.00 C ATOM 437 C LEU A 29 -4.049 14.122 -1.051 1.00 0.00 C ATOM 438 O LEU A 29 -3.707 13.945 0.113 1.00 0.00 O ATOM 439 CB LEU A 29 -5.322 11.915 -1.166 1.00 0.00 C ATOM 440 CG LEU A 29 -5.390 10.570 -1.904 1.00 0.00 C ATOM 441 CD1 LEU A 29 -6.133 9.501 -1.111 1.00 0.00 C ATOM 442 CD2 LEU A 29 -6.040 10.704 -3.288 1.00 0.00 C ATOM 0 H LEU A 29 -2.800 11.698 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.034 13.255 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.937 11.757 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.327 12.323 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.353 10.257 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.150 8.572 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.626 9.335 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.155 9.831 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.067 9.728 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.056 11.082 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.459 11.397 -3.897 1.00 0.00 H new ATOM 454 N ASN A 30 -4.061 15.322 -1.621 1.00 0.00 N ATOM 455 CA ASN A 30 -3.642 16.544 -0.938 1.00 0.00 C ATOM 456 C ASN A 30 -4.695 17.022 0.072 1.00 0.00 C ATOM 457 O ASN A 30 -4.827 18.233 0.296 1.00 0.00 O ATOM 458 CB ASN A 30 -3.304 17.628 -1.980 1.00 0.00 C ATOM 459 CG ASN A 30 -2.086 17.282 -2.822 1.00 0.00 C ATOM 460 OD1 ASN A 30 -2.144 17.257 -4.046 1.00 0.00 O ATOM 461 ND2 ASN A 30 -0.951 16.996 -2.208 1.00 0.00 N ATOM 0 H ASN A 30 -4.365 15.477 -2.582 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.744 16.331 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.162 17.775 -2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.128 18.574 -1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.123 16.754 -2.753 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.903 17.017 -1.189 1.00 0.00 H new ATOM 468 N SER A 31 -5.488 16.106 0.643 1.00 0.00 N ATOM 469 CA SER A 31 -6.534 16.490 1.578 1.00 0.00 C ATOM 470 C SER A 31 -5.808 17.044 2.811 1.00 0.00 C ATOM 471 O SER A 31 -4.856 16.429 3.295 1.00 0.00 O ATOM 472 CB SER A 31 -7.472 15.301 1.876 1.00 0.00 C ATOM 473 OG SER A 31 -7.191 14.578 3.048 1.00 0.00 O ATOM 0 H SER A 31 -5.420 15.103 0.471 1.00 0.00 H new ATOM 0 HA SER A 31 -7.198 17.255 1.176 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.494 15.676 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.436 14.614 1.031 1.00 0.00 H new ATOM 0 HG SER A 31 -7.840 13.850 3.147 1.00 0.00 H new ATOM 479 N SER A 32 -6.200 18.214 3.315 1.00 0.00 N ATOM 480 CA SER A 32 -5.543 18.880 4.441 1.00 0.00 C ATOM 481 C SER A 32 -5.920 18.219 5.774 1.00 0.00 C ATOM 482 O SER A 32 -6.450 18.869 6.679 1.00 0.00 O ATOM 483 CB SER A 32 -5.879 20.376 4.392 1.00 0.00 C ATOM 484 OG SER A 32 -7.223 20.610 3.979 1.00 0.00 O ATOM 0 H SER A 32 -6.996 18.735 2.947 1.00 0.00 H new ATOM 0 HA SER A 32 -4.461 18.774 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.721 20.815 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.197 20.878 3.706 1.00 0.00 H new ATOM 0 HG SER A 32 -7.838 20.180 4.609 1.00 0.00 H new ATOM 490 N THR A 33 -5.753 16.899 5.872 1.00 0.00 N ATOM 491 CA THR A 33 -6.337 16.055 6.907 1.00 0.00 C ATOM 492 C THR A 33 -5.942 14.572 6.702 1.00 0.00 C ATOM 493 O THR A 33 -6.121 13.757 7.615 1.00 0.00 O ATOM 494 CB THR A 33 -7.866 16.324 6.875 1.00 0.00 C ATOM 495 OG1 THR A 33 -8.194 17.161 7.968 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.776 15.106 6.934 1.00 0.00 C ATOM 0 H THR A 33 -5.186 16.373 5.207 1.00 0.00 H new ATOM 0 HA THR A 33 -5.958 16.292 7.901 1.00 0.00 H new ATOM 0 HB THR A 33 -8.048 16.773 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.697 18.003 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.817 15.428 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.572 14.458 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.592 14.559 7.858 1.00 0.00 H new ATOM 504 N ILE A 34 -5.415 14.193 5.531 1.00 0.00 N ATOM 505 CA ILE A 34 -4.798 12.891 5.300 1.00 0.00 C ATOM 506 C ILE A 34 -3.632 12.752 6.293 1.00 0.00 C ATOM 507 O ILE A 34 -2.921 13.730 6.542 1.00 0.00 O ATOM 508 CB ILE A 34 -4.413 12.819 3.800 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.458 11.402 3.189 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.113 13.583 3.528 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.118 10.740 2.913 1.00 0.00 C ATOM 0 H ILE A 34 -5.408 14.795 4.708 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.455 12.041 5.484 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.203 13.335 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.025 10.758 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.013 11.452 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.867 13.516 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.241 14.629 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.305 13.148 4.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.282 9.751 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.549 11.349 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.560 10.645 3.845 1.00 0.00 H new ATOM 523 N ILE A 35 -3.403 11.563 6.851 1.00 0.00 N ATOM 524 CA ILE A 35 -2.196 11.326 7.637 1.00 0.00 C ATOM 525 C ILE A 35 -1.107 10.961 6.636 1.00 0.00 C ATOM 526 O ILE A 35 -0.154 11.716 6.439 1.00 0.00 O ATOM 527 CB ILE A 35 -2.402 10.253 8.727 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.329 10.776 9.847 1.00 0.00 C ATOM 529 CG2 ILE A 35 -1.081 9.796 9.364 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.498 9.825 10.076 1.00 0.00 C ATOM 0 H ILE A 35 -4.028 10.761 6.774 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.913 12.215 8.200 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.858 9.400 8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.761 10.889 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.706 11.764 9.581 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.285 9.041 10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.434 9.372 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.585 10.650 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.135 10.216 10.869 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.077 9.733 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.119 8.845 10.366 1.00 0.00 H new ATOM 542 N GLY A 36 -1.277 9.819 5.977 1.00 0.00 N ATOM 543 CA GLY A 36 -0.256 9.190 5.170 1.00 0.00 C ATOM 544 C GLY A 36 -0.875 8.042 4.387 1.00 0.00 C ATOM 545 O GLY A 36 -2.100 7.883 4.333 1.00 0.00 O ATOM 0 H GLY A 36 -2.154 9.298 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.184 9.917 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.550 8.821 5.804 1.00 0.00 H new ATOM 549 N TYR A 37 -0.008 7.227 3.798 1.00 0.00 N ATOM 550 CA TYR A 37 -0.369 5.918 3.287 1.00 0.00 C ATOM 551 C TYR A 37 0.582 4.952 3.986 1.00 0.00 C ATOM 552 O TYR A 37 1.759 5.278 4.185 1.00 0.00 O ATOM 553 CB TYR A 37 -0.209 5.866 1.750 1.00 0.00 C ATOM 554 CG TYR A 37 -0.570 7.160 1.038 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.898 7.417 0.652 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.418 8.144 0.840 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.249 8.672 0.120 1.00 0.00 C ATOM 558 CE2 TYR A 37 0.074 9.401 0.323 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.269 9.682 0.001 1.00 0.00 C ATOM 560 OH TYR A 37 -1.618 10.944 -0.358 1.00 0.00 O ATOM 0 H TYR A 37 0.975 7.463 3.662 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.411 5.667 3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.824 5.611 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.834 5.063 1.359 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.650 6.650 0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.447 7.929 1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.264 8.862 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.836 10.152 0.172 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.108 11.589 0.176 1.00 0.00 H new ATOM 570 N ARG A 38 0.084 3.799 4.419 1.00 0.00 N ATOM 571 CA ARG A 38 0.825 2.830 5.207 1.00 0.00 C ATOM 572 C ARG A 38 0.801 1.524 4.448 1.00 0.00 C ATOM 573 O ARG A 38 -0.275 0.987 4.173 1.00 0.00 O ATOM 574 CB ARG A 38 0.242 2.745 6.624 1.00 0.00 C ATOM 575 CG ARG A 38 0.736 1.538 7.443 1.00 0.00 C ATOM 576 CD ARG A 38 -0.178 0.333 7.187 1.00 0.00 C ATOM 577 NE ARG A 38 -0.805 -0.218 8.400 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.782 0.369 9.104 1.00 0.00 C ATOM 579 NH1 ARG A 38 -1.988 1.680 9.026 1.00 0.00 N ATOM 580 NH2 ARG A 38 -2.599 -0.345 9.860 1.00 0.00 N ATOM 0 H ARG A 38 -0.874 3.508 4.224 1.00 0.00 H new ATOM 0 HA ARG A 38 1.866 3.120 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.491 3.660 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.845 2.701 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.762 1.294 7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.741 1.784 8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.961 0.627 6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.402 -0.452 6.703 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.467 -1.122 8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.398 2.254 8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.736 2.112 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.490 -1.358 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.338 0.117 10.390 1.00 0.00 H new ATOM 594 N ILE A 39 1.968 1.035 4.075 1.00 0.00 N ATOM 595 CA ILE A 39 2.126 -0.213 3.367 1.00 0.00 C ATOM 596 C ILE A 39 2.373 -1.280 4.445 1.00 0.00 C ATOM 597 O ILE A 39 2.875 -0.989 5.532 1.00 0.00 O ATOM 598 CB ILE A 39 3.228 -0.037 2.296 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.834 0.951 1.169 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.627 -1.362 1.619 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.973 2.445 1.500 1.00 0.00 C ATOM 0 H ILE A 39 2.852 1.509 4.262 1.00 0.00 H new ATOM 0 HA ILE A 39 1.255 -0.537 2.797 1.00 0.00 H new ATOM 0 HB ILE A 39 4.070 0.363 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.447 0.735 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.799 0.757 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.404 -1.173 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.004 -2.055 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.756 -1.797 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.669 3.039 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.337 2.690 2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.011 2.668 1.747 1.00 0.00 H new ATOM 613 N THR A 40 1.938 -2.507 4.166 1.00 0.00 N ATOM 614 CA THR A 40 2.120 -3.670 5.007 1.00 0.00 C ATOM 615 C THR A 40 2.301 -4.809 4.003 1.00 0.00 C ATOM 616 O THR A 40 1.339 -5.248 3.373 1.00 0.00 O ATOM 617 CB THR A 40 0.892 -3.900 5.913 1.00 0.00 C ATOM 618 OG1 THR A 40 0.686 -2.847 6.833 1.00 0.00 O ATOM 619 CG2 THR A 40 1.054 -5.165 6.751 1.00 0.00 C ATOM 0 H THR A 40 1.428 -2.718 3.308 1.00 0.00 H new ATOM 0 HA THR A 40 2.964 -3.575 5.691 1.00 0.00 H new ATOM 0 HB THR A 40 0.047 -3.973 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.103 -3.041 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.173 -5.301 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.166 -6.026 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.939 -5.073 7.381 1.00 0.00 H new ATOM 627 N VAL A 41 3.529 -5.263 3.794 1.00 0.00 N ATOM 628 CA VAL A 41 3.799 -6.481 3.038 1.00 0.00 C ATOM 629 C VAL A 41 3.705 -7.668 3.986 1.00 0.00 C ATOM 630 O VAL A 41 4.336 -7.680 5.052 1.00 0.00 O ATOM 631 CB VAL A 41 5.132 -6.428 2.253 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.876 -6.514 0.751 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.888 -5.097 2.444 1.00 0.00 C ATOM 0 H VAL A 41 4.367 -4.798 4.143 1.00 0.00 H new ATOM 0 HA VAL A 41 3.044 -6.591 2.259 1.00 0.00 H new ATOM 0 HB VAL A 41 5.716 -7.265 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.826 -6.475 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.369 -7.451 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.250 -5.677 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.814 -5.119 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.266 -4.272 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.119 -4.958 3.500 1.00 0.00 H new ATOM 643 N VAL A 42 2.909 -8.659 3.606 1.00 0.00 N ATOM 644 CA VAL A 42 2.835 -9.940 4.291 1.00 0.00 C ATOM 645 C VAL A 42 3.138 -11.028 3.253 1.00 0.00 C ATOM 646 O VAL A 42 3.098 -10.759 2.051 1.00 0.00 O ATOM 647 CB VAL A 42 1.503 -10.084 5.068 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.027 -8.784 5.729 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.364 -10.532 4.181 1.00 0.00 C ATOM 0 H VAL A 42 2.287 -8.593 2.800 1.00 0.00 H new ATOM 0 HA VAL A 42 3.582 -10.036 5.079 1.00 0.00 H new ATOM 0 HB VAL A 42 1.739 -10.829 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.089 -8.965 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.779 -8.440 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.874 -8.022 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.547 -10.618 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.213 -9.801 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.604 -11.501 3.742 1.00 0.00 H new ATOM 659 N ALA A 43 3.432 -12.244 3.700 1.00 0.00 N ATOM 660 CA ALA A 43 3.617 -13.394 2.839 1.00 0.00 C ATOM 661 C ALA A 43 2.261 -14.072 2.694 1.00 0.00 C ATOM 662 O ALA A 43 1.752 -14.671 3.650 1.00 0.00 O ATOM 663 CB ALA A 43 4.659 -14.342 3.423 1.00 0.00 C ATOM 0 H ALA A 43 3.549 -12.456 4.691 1.00 0.00 H new ATOM 0 HA ALA A 43 3.989 -13.091 1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.783 -15.199 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.611 -13.820 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.329 -14.686 4.403 1.00 0.00 H new ATOM 669 N ALA A 44 1.712 -13.978 1.488 1.00 0.00 N ATOM 670 CA ALA A 44 0.428 -14.490 1.046 1.00 0.00 C ATOM 671 C ALA A 44 -0.730 -14.144 1.992 1.00 0.00 C ATOM 672 O ALA A 44 -0.629 -13.365 2.944 1.00 0.00 O ATOM 673 CB ALA A 44 0.564 -16.009 0.828 1.00 0.00 C ATOM 0 H ALA A 44 2.200 -13.499 0.731 1.00 0.00 H new ATOM 0 HA ALA A 44 0.165 -14.000 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.391 -16.416 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.324 -16.201 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.855 -16.486 1.764 1.00 0.00 H new ATOM 708 N ILE A 48 1.489 -13.710 7.824 1.00 0.00 N ATOM 709 CA ILE A 48 2.896 -13.620 8.166 1.00 0.00 C ATOM 710 C ILE A 48 3.495 -12.280 7.691 1.00 0.00 C ATOM 711 O ILE A 48 3.639 -12.073 6.489 1.00 0.00 O ATOM 712 CB ILE A 48 3.588 -14.919 7.683 1.00 0.00 C ATOM 713 CG1 ILE A 48 3.434 -15.969 8.807 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.027 -14.705 7.222 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.108 -17.323 8.577 1.00 0.00 C ATOM 0 HA ILE A 48 3.066 -13.580 9.242 1.00 0.00 H new ATOM 0 HB ILE A 48 3.102 -15.286 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.832 -15.543 9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.370 -16.141 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.450 -15.656 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.042 -13.999 6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.618 -14.307 8.047 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.927 -17.970 9.435 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.697 -17.786 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.181 -17.179 8.451 1.00 0.00 H new ATOM 727 N PRO A 49 3.765 -11.322 8.593 1.00 0.00 N ATOM 728 CA PRO A 49 4.224 -9.995 8.227 1.00 0.00 C ATOM 729 C PRO A 49 5.691 -10.044 7.796 1.00 0.00 C ATOM 730 O PRO A 49 6.544 -10.547 8.532 1.00 0.00 O ATOM 731 CB PRO A 49 4.030 -9.149 9.485 1.00 0.00 C ATOM 732 CG PRO A 49 4.172 -10.144 10.632 1.00 0.00 C ATOM 733 CD PRO A 49 3.694 -11.463 10.036 1.00 0.00 C ATOM 0 HA PRO A 49 3.675 -9.577 7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.776 -8.357 9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.052 -8.668 9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.204 -10.212 10.976 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.568 -9.852 11.491 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.319 -12.289 10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.675 -11.684 10.353 1.00 0.00 H new ATOM 741 N ILE A 50 6.002 -9.489 6.624 1.00 0.00 N ATOM 742 CA ILE A 50 7.375 -9.259 6.193 1.00 0.00 C ATOM 743 C ILE A 50 7.819 -7.919 6.788 1.00 0.00 C ATOM 744 O ILE A 50 8.780 -7.858 7.558 1.00 0.00 O ATOM 745 CB ILE A 50 7.490 -9.275 4.649 1.00 0.00 C ATOM 746 CG1 ILE A 50 6.936 -10.543 3.977 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.928 -8.930 4.210 1.00 0.00 C ATOM 748 CD1 ILE A 50 7.899 -11.707 4.089 1.00 0.00 C ATOM 0 H ILE A 50 5.303 -9.186 5.946 1.00 0.00 H new ATOM 0 HA ILE A 50 8.028 -10.057 6.547 1.00 0.00 H new ATOM 0 HB ILE A 50 6.828 -8.490 4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.985 -10.812 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.734 -10.338 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.990 -8.946 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.191 -7.937 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.620 -9.663 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.470 -12.583 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.841 -11.448 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.080 -11.929 5.141 1.00 0.00 H new ATOM 760 N PHE A 51 7.145 -6.835 6.400 1.00 0.00 N ATOM 761 CA PHE A 51 7.593 -5.463 6.588 1.00 0.00 C ATOM 762 C PHE A 51 6.357 -4.571 6.607 1.00 0.00 C ATOM 763 O PHE A 51 5.306 -4.930 6.068 1.00 0.00 O ATOM 764 CB PHE A 51 8.553 -5.149 5.430 1.00 0.00 C ATOM 765 CG PHE A 51 9.066 -3.738 5.203 1.00 0.00 C ATOM 766 CD1 PHE A 51 10.279 -3.295 5.769 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.428 -2.927 4.253 1.00 0.00 C ATOM 768 CE1 PHE A 51 10.841 -2.061 5.373 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.016 -1.725 3.846 1.00 0.00 C ATOM 770 CZ PHE A 51 10.218 -1.274 4.390 1.00 0.00 C ATOM 0 H PHE A 51 6.242 -6.895 5.930 1.00 0.00 H new ATOM 0 HA PHE A 51 8.125 -5.298 7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.426 -5.790 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.058 -5.461 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.781 -3.902 6.508 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.480 -3.232 3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.758 -1.719 5.830 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.526 -1.130 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 51 10.659 -0.344 4.064 1.00 0.00 H new ATOM 780 N GLU A 52 6.464 -3.417 7.243 1.00 0.00 N ATOM 781 CA GLU A 52 5.440 -2.386 7.270 1.00 0.00 C ATOM 782 C GLU A 52 6.171 -1.064 7.230 1.00 0.00 C ATOM 783 O GLU A 52 7.339 -0.982 7.639 1.00 0.00 O ATOM 784 CB GLU A 52 4.518 -2.519 8.494 1.00 0.00 C ATOM 785 CG GLU A 52 5.112 -2.063 9.844 1.00 0.00 C ATOM 786 CD GLU A 52 4.893 -0.574 10.156 1.00 0.00 C ATOM 787 OE1 GLU A 52 3.719 -0.166 10.309 1.00 0.00 O ATOM 788 OE2 GLU A 52 5.880 0.173 10.359 1.00 0.00 O ATOM 0 H GLU A 52 7.297 -3.163 7.774 1.00 0.00 H new ATOM 0 HA GLU A 52 4.770 -2.476 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.612 -1.943 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.218 -3.563 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.671 -2.659 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.182 -2.270 9.846 1.00 0.00 H new ATOM 795 N ASP A 53 5.508 -0.062 6.677 1.00 0.00 N ATOM 796 CA ASP A 53 6.197 1.075 6.121 1.00 0.00 C ATOM 797 C ASP A 53 5.234 2.220 5.874 1.00 0.00 C ATOM 798 O ASP A 53 4.018 2.038 5.774 1.00 0.00 O ATOM 799 CB ASP A 53 6.987 0.676 4.868 1.00 0.00 C ATOM 800 CG ASP A 53 6.292 -0.220 3.826 1.00 0.00 C ATOM 801 OD1 ASP A 53 5.702 -1.273 4.151 1.00 0.00 O ATOM 802 OD2 ASP A 53 6.511 0.069 2.629 1.00 0.00 O ATOM 0 H ASP A 53 4.491 -0.019 6.604 1.00 0.00 H new ATOM 0 HA ASP A 53 6.927 1.434 6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.299 1.591 4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.894 0.166 5.194 1.00 0.00 H new ATOM 807 N PHE A 54 5.790 3.424 5.798 1.00 0.00 N ATOM 808 CA PHE A 54 5.058 4.674 5.831 1.00 0.00 C ATOM 809 C PHE A 54 5.654 5.603 4.786 1.00 0.00 C ATOM 810 O PHE A 54 6.836 5.491 4.445 1.00 0.00 O ATOM 811 CB PHE A 54 5.209 5.289 7.233 1.00 0.00 C ATOM 812 CG PHE A 54 3.912 5.411 7.995 1.00 0.00 C ATOM 813 CD1 PHE A 54 3.248 4.255 8.440 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.376 6.681 8.269 1.00 0.00 C ATOM 815 CE1 PHE A 54 2.027 4.377 9.118 1.00 0.00 C ATOM 816 CE2 PHE A 54 2.155 6.801 8.953 1.00 0.00 C ATOM 817 CZ PHE A 54 1.456 5.640 9.324 1.00 0.00 C ATOM 0 H PHE A 54 6.798 3.555 5.709 1.00 0.00 H new ATOM 0 HA PHE A 54 4.001 4.517 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.903 4.680 7.813 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.657 6.278 7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.675 3.279 8.261 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.905 7.568 7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.524 3.494 9.483 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.757 7.776 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.475 5.721 9.769 1.00 0.00 H new ATOM 827 N VAL A 55 4.857 6.541 4.288 1.00 0.00 N ATOM 828 CA VAL A 55 5.336 7.630 3.467 1.00 0.00 C ATOM 829 C VAL A 55 4.842 8.954 4.072 1.00 0.00 C ATOM 830 O VAL A 55 4.121 8.944 5.069 1.00 0.00 O ATOM 831 CB VAL A 55 4.900 7.344 2.012 1.00 0.00 C ATOM 832 CG1 VAL A 55 6.108 6.852 1.207 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.758 6.332 1.816 1.00 0.00 C ATOM 0 H VAL A 55 3.850 6.561 4.449 1.00 0.00 H new ATOM 0 HA VAL A 55 6.422 7.720 3.444 1.00 0.00 H new ATOM 0 HB VAL A 55 4.506 8.299 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.803 6.650 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.884 7.617 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.497 5.939 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.549 6.221 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.051 5.368 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.864 6.689 2.326 1.00 0.00 H new ATOM 843 N ASP A 56 5.139 10.082 3.416 1.00 0.00 N ATOM 844 CA ASP A 56 5.050 11.402 4.048 1.00 0.00 C ATOM 845 C ASP A 56 3.605 11.794 4.344 1.00 0.00 C ATOM 846 O ASP A 56 3.269 12.073 5.492 1.00 0.00 O ATOM 847 CB ASP A 56 5.713 12.486 3.176 1.00 0.00 C ATOM 848 CG ASP A 56 6.418 13.570 3.999 1.00 0.00 C ATOM 849 OD1 ASP A 56 5.748 14.317 4.749 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.654 13.693 3.874 1.00 0.00 O ATOM 0 H ASP A 56 5.444 10.106 2.443 1.00 0.00 H new ATOM 0 HA ASP A 56 5.587 11.331 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.436 12.016 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.955 12.952 2.546 1.00 0.00 H new ATOM 855 N SER A 57 2.776 11.816 3.291 1.00 0.00 N ATOM 856 CA SER A 57 1.467 12.457 3.188 1.00 0.00 C ATOM 857 C SER A 57 1.082 12.739 1.736 1.00 0.00 C ATOM 858 O SER A 57 -0.044 12.414 1.353 1.00 0.00 O ATOM 859 CB SER A 57 1.386 13.719 4.083 1.00 0.00 C ATOM 860 OG SER A 57 0.255 14.528 3.841 1.00 0.00 O ATOM 0 H SER A 57 3.029 11.347 2.421 1.00 0.00 H new ATOM 0 HA SER A 57 0.725 11.754 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.381 13.410 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.285 14.316 3.932 1.00 0.00 H new ATOM 0 HG SER A 57 0.272 15.302 4.442 1.00 0.00 H new ATOM 866 N SER A 58 1.986 13.241 0.888 1.00 0.00 N ATOM 867 CA SER A 58 1.649 13.514 -0.513 1.00 0.00 C ATOM 868 C SER A 58 2.682 12.888 -1.438 1.00 0.00 C ATOM 869 O SER A 58 3.030 13.413 -2.498 1.00 0.00 O ATOM 870 CB SER A 58 1.334 14.992 -0.758 1.00 0.00 C ATOM 871 OG SER A 58 2.443 15.844 -0.584 1.00 0.00 O ATOM 0 H SER A 58 2.948 13.465 1.144 1.00 0.00 H new ATOM 0 HA SER A 58 0.709 13.022 -0.763 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.952 15.110 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.539 15.302 -0.080 1.00 0.00 H new ATOM 0 HG SER A 58 2.174 16.770 -0.757 1.00 0.00 H new ATOM 877 N VAL A 59 3.141 11.708 -1.033 1.00 0.00 N ATOM 878 CA VAL A 59 3.939 10.864 -1.908 1.00 0.00 C ATOM 879 C VAL A 59 2.986 10.248 -2.944 1.00 0.00 C ATOM 880 O VAL A 59 1.909 9.794 -2.560 1.00 0.00 O ATOM 881 CB VAL A 59 4.665 9.811 -1.056 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.466 8.861 -1.946 1.00 0.00 C ATOM 883 CG2 VAL A 59 5.643 10.471 -0.073 1.00 0.00 C ATOM 0 H VAL A 59 2.973 11.317 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 59 4.709 11.423 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 59 3.901 9.263 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.973 8.122 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.792 8.354 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.205 9.429 -2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.142 9.701 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.387 11.042 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.095 11.139 0.592 1.00 0.00 H new ATOM 893 N GLY A 60 3.368 10.247 -4.230 1.00 0.00 N ATOM 894 CA GLY A 60 2.645 9.594 -5.329 1.00 0.00 C ATOM 895 C GLY A 60 3.451 8.489 -6.022 1.00 0.00 C ATOM 896 O GLY A 60 2.904 7.740 -6.831 1.00 0.00 O ATOM 0 H GLY A 60 4.218 10.717 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.719 9.169 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.366 10.346 -6.067 1.00 0.00 H new ATOM 900 N TYR A 61 4.718 8.321 -5.652 1.00 0.00 N ATOM 901 CA TYR A 61 5.621 7.258 -6.097 1.00 0.00 C ATOM 902 C TYR A 61 6.474 6.852 -4.895 1.00 0.00 C ATOM 903 O TYR A 61 7.049 7.726 -4.244 1.00 0.00 O ATOM 904 CB TYR A 61 6.500 7.733 -7.256 1.00 0.00 C ATOM 905 CG TYR A 61 7.437 6.643 -7.730 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.644 6.399 -7.049 1.00 0.00 C ATOM 907 CD2 TYR A 61 7.056 5.806 -8.792 1.00 0.00 C ATOM 908 CE1 TYR A 61 9.453 5.312 -7.416 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.883 4.739 -9.179 1.00 0.00 C ATOM 910 CZ TYR A 61 9.090 4.475 -8.494 1.00 0.00 C ATOM 911 OH TYR A 61 9.901 3.438 -8.849 1.00 0.00 O ATOM 0 H TYR A 61 5.170 8.958 -4.996 1.00 0.00 H new ATOM 0 HA TYR A 61 5.051 6.405 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.868 8.055 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.080 8.600 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.949 7.049 -6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.126 5.983 -9.311 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.362 5.114 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.593 4.113 -10.010 1.00 0.00 H new ATOM 0 HH TYR A 61 9.731 3.195 -9.783 1.00 0.00 H new ATOM 921 N TYR A 62 6.589 5.562 -4.597 1.00 0.00 N ATOM 922 CA TYR A 62 7.403 5.033 -3.500 1.00 0.00 C ATOM 923 C TYR A 62 8.064 3.741 -3.989 1.00 0.00 C ATOM 924 O TYR A 62 7.754 3.251 -5.073 1.00 0.00 O ATOM 925 CB TYR A 62 6.524 4.940 -2.243 1.00 0.00 C ATOM 926 CG TYR A 62 7.037 4.116 -1.075 1.00 0.00 C ATOM 927 CD1 TYR A 62 8.307 4.344 -0.502 1.00 0.00 C ATOM 928 CD2 TYR A 62 6.188 3.163 -0.490 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.767 3.533 0.549 1.00 0.00 C ATOM 930 CE2 TYR A 62 6.635 2.360 0.563 1.00 0.00 C ATOM 931 CZ TYR A 62 7.942 2.518 1.071 1.00 0.00 C ATOM 932 OH TYR A 62 8.417 1.673 2.020 1.00 0.00 O ATOM 0 H TYR A 62 6.107 4.833 -5.124 1.00 0.00 H new ATOM 0 HA TYR A 62 8.230 5.678 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.346 5.954 -1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.558 4.533 -2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.928 5.146 -0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.179 3.049 -0.858 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.755 3.688 0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.978 1.616 0.989 1.00 0.00 H new ATOM 0 HH TYR A 62 7.930 0.824 1.975 1.00 0.00 H new ATOM 942 N THR A 63 9.055 3.225 -3.271 1.00 0.00 N ATOM 943 CA THR A 63 9.785 2.008 -3.620 1.00 0.00 C ATOM 944 C THR A 63 10.301 1.345 -2.345 1.00 0.00 C ATOM 945 O THR A 63 10.656 2.031 -1.390 1.00 0.00 O ATOM 946 CB THR A 63 10.929 2.369 -4.583 1.00 0.00 C ATOM 947 OG1 THR A 63 10.394 2.734 -5.837 1.00 0.00 O ATOM 948 CG2 THR A 63 11.898 1.216 -4.864 1.00 0.00 C ATOM 0 H THR A 63 9.383 3.653 -2.405 1.00 0.00 H new ATOM 0 HA THR A 63 9.131 1.296 -4.123 1.00 0.00 H new ATOM 0 HB THR A 63 11.472 3.175 -4.090 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.421 2.827 -5.763 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.674 1.552 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.356 0.890 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.354 0.384 -5.311 1.00 0.00 H new ATOM 956 N VAL A 64 10.362 0.016 -2.354 1.00 0.00 N ATOM 957 CA VAL A 64 10.552 -0.834 -1.189 1.00 0.00 C ATOM 958 C VAL A 64 11.572 -1.910 -1.533 1.00 0.00 C ATOM 959 O VAL A 64 11.748 -2.228 -2.709 1.00 0.00 O ATOM 960 CB VAL A 64 9.208 -1.469 -0.783 1.00 0.00 C ATOM 961 CG1 VAL A 64 9.248 -1.886 0.683 1.00 0.00 C ATOM 962 CG2 VAL A 64 8.009 -0.544 -1.028 1.00 0.00 C ATOM 0 H VAL A 64 10.276 -0.520 -3.217 1.00 0.00 H new ATOM 0 HA VAL A 64 10.918 -0.245 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 64 9.070 -2.344 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.294 -2.334 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.047 -2.612 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.432 -1.010 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.092 -1.048 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.131 0.371 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.951 -0.297 -2.088 1.00 0.00 H new ATOM 972 N THR A 65 12.208 -2.497 -0.524 1.00 0.00 N ATOM 973 CA THR A 65 13.296 -3.450 -0.678 1.00 0.00 C ATOM 974 C THR A 65 13.112 -4.584 0.342 1.00 0.00 C ATOM 975 O THR A 65 12.183 -4.560 1.157 1.00 0.00 O ATOM 976 CB THR A 65 14.659 -2.736 -0.485 1.00 0.00 C ATOM 977 OG1 THR A 65 14.554 -1.327 -0.348 1.00 0.00 O ATOM 978 CG2 THR A 65 15.640 -3.025 -1.621 1.00 0.00 C ATOM 0 H THR A 65 11.972 -2.316 0.452 1.00 0.00 H new ATOM 0 HA THR A 65 13.283 -3.874 -1.682 1.00 0.00 H new ATOM 0 HB THR A 65 15.036 -3.152 0.449 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.447 -0.942 -0.228 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.577 -2.500 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.829 -4.097 -1.675 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.215 -2.684 -2.565 1.00 0.00 H new ATOM 986 N GLY A 66 14.000 -5.580 0.322 1.00 0.00 N ATOM 987 CA GLY A 66 13.950 -6.704 1.250 1.00 0.00 C ATOM 988 C GLY A 66 12.792 -7.639 0.913 1.00 0.00 C ATOM 989 O GLY A 66 12.240 -8.296 1.795 1.00 0.00 O ATOM 0 H GLY A 66 14.774 -5.627 -0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.890 -7.255 1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.839 -6.334 2.269 1.00 0.00 H new ATOM 993 N LEU A 67 12.340 -7.620 -0.340 1.00 0.00 N ATOM 994 CA LEU A 67 11.541 -8.678 -0.928 1.00 0.00 C ATOM 995 C LEU A 67 12.482 -9.854 -1.209 1.00 0.00 C ATOM 996 O LEU A 67 13.709 -9.693 -1.212 1.00 0.00 O ATOM 997 CB LEU A 67 10.884 -8.131 -2.214 1.00 0.00 C ATOM 998 CG LEU A 67 9.345 -8.225 -2.224 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.758 -7.005 -2.944 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.878 -9.502 -2.928 1.00 0.00 C ATOM 0 H LEU A 67 12.526 -6.850 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 67 10.743 -9.019 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.174 -7.088 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.276 -8.679 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 67 8.998 -8.250 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.670 -7.074 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.061 -6.096 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.125 -6.977 -3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.789 -9.544 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.235 -9.501 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.278 -10.372 -2.407 1.00 0.00 H new ATOM 1012 N GLU A 68 11.922 -11.031 -1.461 1.00 0.00 N ATOM 1013 CA GLU A 68 12.640 -12.203 -1.935 1.00 0.00 C ATOM 1014 C GLU A 68 11.727 -12.954 -2.914 1.00 0.00 C ATOM 1015 O GLU A 68 10.516 -13.027 -2.681 1.00 0.00 O ATOM 1016 CB GLU A 68 13.124 -13.053 -0.757 1.00 0.00 C ATOM 1017 CG GLU A 68 14.342 -13.912 -1.124 1.00 0.00 C ATOM 1018 CD GLU A 68 14.927 -14.669 0.069 1.00 0.00 C ATOM 1019 OE1 GLU A 68 14.325 -15.672 0.528 1.00 0.00 O ATOM 1020 OE2 GLU A 68 16.004 -14.276 0.575 1.00 0.00 O ATOM 0 H GLU A 68 10.924 -11.199 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 68 13.546 -11.923 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.380 -12.401 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.314 -13.700 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.055 -14.627 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.113 -13.273 -1.554 1.00 0.00 H new ATOM 1027 N PRO A 69 12.236 -13.419 -4.065 1.00 0.00 N ATOM 1028 CA PRO A 69 11.436 -14.176 -5.017 1.00 0.00 C ATOM 1029 C PRO A 69 11.028 -15.543 -4.461 1.00 0.00 C ATOM 1030 O PRO A 69 11.679 -16.097 -3.575 1.00 0.00 O ATOM 1031 CB PRO A 69 12.326 -14.327 -6.253 1.00 0.00 C ATOM 1032 CG PRO A 69 13.745 -14.231 -5.704 1.00 0.00 C ATOM 1033 CD PRO A 69 13.605 -13.271 -4.534 1.00 0.00 C ATOM 0 HA PRO A 69 10.500 -13.666 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.156 -15.281 -6.753 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.128 -13.544 -6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.119 -15.204 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.441 -13.853 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.317 -13.510 -3.744 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.804 -12.245 -4.843 1.00 0.00 H new ATOM 1041 N GLY A 70 10.009 -16.145 -5.069 1.00 0.00 N ATOM 1042 CA GLY A 70 9.592 -17.521 -4.861 1.00 0.00 C ATOM 1043 C GLY A 70 8.436 -17.660 -3.873 1.00 0.00 C ATOM 1044 O GLY A 70 7.795 -18.714 -3.852 1.00 0.00 O ATOM 0 H GLY A 70 9.427 -15.660 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.297 -17.952 -5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.442 -18.100 -4.499 1.00 0.00 H new ATOM 1048 N ILE A 71 8.127 -16.621 -3.096 1.00 0.00 N ATOM 1049 CA ILE A 71 6.988 -16.575 -2.183 1.00 0.00 C ATOM 1050 C ILE A 71 5.985 -15.552 -2.720 1.00 0.00 C ATOM 1051 O ILE A 71 6.344 -14.633 -3.461 1.00 0.00 O ATOM 1052 CB ILE A 71 7.489 -16.322 -0.736 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.220 -17.560 -0.161 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.408 -15.845 0.255 1.00 0.00 C ATOM 1055 CD1 ILE A 71 7.357 -18.818 0.019 1.00 0.00 C ATOM 0 H ILE A 71 8.680 -15.764 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 71 6.457 -17.525 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 71 8.189 -15.493 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.054 -17.805 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.645 -17.292 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.856 -15.696 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.982 -14.905 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.621 -16.596 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.968 -19.623 0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.537 -18.602 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.953 -19.123 -0.946 1.00 0.00 H new ATOM 1067 N ASP A 72 4.711 -15.772 -2.398 1.00 0.00 N ATOM 1068 CA ASP A 72 3.582 -14.894 -2.689 1.00 0.00 C ATOM 1069 C ASP A 72 3.565 -13.788 -1.645 1.00 0.00 C ATOM 1070 O ASP A 72 3.642 -14.081 -0.453 1.00 0.00 O ATOM 1071 CB ASP A 72 2.295 -15.721 -2.663 1.00 0.00 C ATOM 1072 CG ASP A 72 1.049 -14.900 -2.977 1.00 0.00 C ATOM 1073 OD1 ASP A 72 0.979 -14.335 -4.092 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.081 -14.980 -2.187 1.00 0.00 O ATOM 0 H ASP A 72 4.425 -16.615 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 72 3.668 -14.440 -3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.378 -16.534 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.184 -16.178 -1.680 1.00 0.00 H new ATOM 1079 N TYR A 73 3.521 -12.528 -2.073 1.00 0.00 N ATOM 1080 CA TYR A 73 3.537 -11.371 -1.182 1.00 0.00 C ATOM 1081 C TYR A 73 2.217 -10.627 -1.346 1.00 0.00 C ATOM 1082 O TYR A 73 1.932 -10.158 -2.447 1.00 0.00 O ATOM 1083 CB TYR A 73 4.725 -10.438 -1.485 1.00 0.00 C ATOM 1084 CG TYR A 73 6.075 -10.864 -0.931 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.687 -12.048 -1.374 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.751 -10.046 -0.004 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.938 -12.441 -0.869 1.00 0.00 C ATOM 1088 CE2 TYR A 73 8.012 -10.423 0.492 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.600 -11.639 0.084 1.00 0.00 C ATOM 1090 OH TYR A 73 9.806 -12.029 0.580 1.00 0.00 O ATOM 0 H TYR A 73 3.473 -12.279 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 73 3.656 -11.710 -0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.815 -10.339 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.491 -9.448 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.191 -12.663 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.298 -9.124 0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.393 -13.359 -1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.532 -9.780 1.187 1.00 0.00 H new ATOM 0 HH TYR A 73 10.125 -11.364 1.225 1.00 0.00 H new ATOM 1100 N ASP A 74 1.441 -10.487 -0.266 1.00 0.00 N ATOM 1101 CA ASP A 74 0.277 -9.611 -0.195 1.00 0.00 C ATOM 1102 C ASP A 74 0.799 -8.233 0.169 1.00 0.00 C ATOM 1103 O ASP A 74 1.177 -7.963 1.312 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.776 -10.071 0.826 1.00 0.00 C ATOM 1105 CG ASP A 74 -1.913 -10.887 0.211 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -1.681 -12.023 -0.261 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.053 -10.359 0.207 1.00 0.00 O ATOM 0 H ASP A 74 1.613 -10.994 0.602 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.237 -9.620 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.287 -10.668 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.196 -9.195 1.321 1.00 0.00 H new ATOM 1112 N ILE A 75 0.876 -7.366 -0.832 1.00 0.00 N ATOM 1113 CA ILE A 75 1.463 -6.044 -0.727 1.00 0.00 C ATOM 1114 C ILE A 75 0.275 -5.131 -0.433 1.00 0.00 C ATOM 1115 O ILE A 75 -0.426 -4.694 -1.353 1.00 0.00 O ATOM 1116 CB ILE A 75 2.206 -5.745 -2.029 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.263 -6.836 -2.314 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.884 -4.359 -1.942 1.00 0.00 C ATOM 1119 CD1 ILE A 75 3.456 -6.919 -3.809 1.00 0.00 C ATOM 0 H ILE A 75 0.520 -7.573 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 75 2.210 -5.918 0.057 1.00 0.00 H new ATOM 0 HB ILE A 75 1.486 -5.740 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.204 -6.593 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.935 -7.797 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.411 -4.153 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.126 -3.593 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.593 -4.352 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.199 -7.683 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.510 -7.178 -4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.799 -5.955 -4.186 1.00 0.00 H new ATOM 1131 N SER A 76 -0.045 -4.934 0.846 1.00 0.00 N ATOM 1132 CA SER A 76 -1.193 -4.126 1.238 1.00 0.00 C ATOM 1133 C SER A 76 -0.761 -2.698 1.517 1.00 0.00 C ATOM 1134 O SER A 76 0.384 -2.455 1.886 1.00 0.00 O ATOM 1135 CB SER A 76 -1.984 -4.811 2.359 1.00 0.00 C ATOM 1136 OG SER A 76 -1.270 -4.979 3.560 1.00 0.00 O ATOM 0 H SER A 76 0.479 -5.326 1.629 1.00 0.00 H new ATOM 0 HA SER A 76 -1.903 -4.049 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.881 -4.226 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.314 -5.789 2.008 1.00 0.00 H new ATOM 0 HG SER A 76 -0.309 -4.909 3.382 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.660 -1.746 1.289 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.464 -0.321 1.324 1.00 0.00 C ATOM 1144 C VAL A 77 -2.807 0.216 1.822 1.00 0.00 C ATOM 1145 O VAL A 77 -3.855 -0.090 1.241 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.083 0.205 -0.079 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.754 1.708 -0.011 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.054 -0.610 -0.742 1.00 0.00 C ATOM 0 H VAL A 77 -2.624 -1.984 1.056 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.646 -0.002 1.970 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.950 0.070 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.487 2.067 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.625 2.255 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.083 1.867 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.276 -0.192 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.946 -0.564 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.259 -1.648 -0.852 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.799 0.975 2.911 1.00 0.00 N ATOM 1159 CA ILE A 78 -3.976 1.570 3.523 1.00 0.00 C ATOM 1160 C ILE A 78 -3.776 3.080 3.471 1.00 0.00 C ATOM 1161 O ILE A 78 -2.666 3.577 3.667 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.178 0.992 4.944 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.614 -0.486 4.810 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.219 1.765 5.775 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -4.982 -1.154 6.135 1.00 0.00 C ATOM 0 H ILE A 78 -1.938 1.200 3.410 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.900 1.333 2.995 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.231 1.084 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.471 -0.541 4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.807 -1.050 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.311 1.307 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.900 2.801 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.184 1.735 5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.276 -2.188 5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.121 -1.134 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.811 -0.617 6.595 1.00 0.00 H new ATOM 1177 N THR A 79 -4.851 3.797 3.170 1.00 0.00 N ATOM 1178 CA THR A 79 -4.917 5.242 3.083 1.00 0.00 C ATOM 1179 C THR A 79 -5.665 5.744 4.318 1.00 0.00 C ATOM 1180 O THR A 79 -6.846 5.412 4.486 1.00 0.00 O ATOM 1181 CB THR A 79 -5.637 5.586 1.777 1.00 0.00 C ATOM 1182 OG1 THR A 79 -4.987 4.963 0.691 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.682 7.093 1.544 1.00 0.00 C ATOM 0 H THR A 79 -5.749 3.356 2.969 1.00 0.00 H new ATOM 0 HA THR A 79 -3.937 5.718 3.067 1.00 0.00 H new ATOM 0 HB THR A 79 -6.661 5.221 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.656 4.622 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.200 7.301 0.608 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.212 7.573 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.666 7.483 1.491 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.989 6.509 5.179 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.461 6.921 6.494 1.00 0.00 C ATOM 1193 C LEU A 80 -5.637 8.436 6.528 1.00 0.00 C ATOM 1194 O LEU A 80 -4.797 9.183 6.023 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.516 6.445 7.619 1.00 0.00 C ATOM 1196 CG LEU A 80 -3.024 6.216 7.293 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.195 6.364 8.571 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.767 4.807 6.755 1.00 0.00 C ATOM 0 H LEU A 80 -4.060 6.871 4.965 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.427 6.448 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.569 7.177 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.915 5.509 8.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.745 6.951 6.538 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.142 6.203 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.329 7.367 8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.524 5.628 9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.705 4.688 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.070 4.072 7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.343 4.656 5.842 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.734 8.888 7.132 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.162 10.279 7.227 1.00 0.00 C ATOM 1212 C ILE A 81 -7.617 10.570 8.668 1.00 0.00 C ATOM 1213 O ILE A 81 -7.599 9.671 9.513 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.282 10.573 6.187 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.659 9.991 6.577 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.959 10.056 4.770 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.830 10.862 6.106 1.00 0.00 C ATOM 0 H ILE A 81 -7.385 8.254 7.595 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.330 10.943 6.993 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.328 11.662 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.760 8.993 6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.708 9.881 7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.783 10.296 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.047 10.531 4.409 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.818 8.976 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.771 10.402 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.750 11.853 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.803 10.951 5.020 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.109 11.796 8.906 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.939 12.165 10.061 1.00 0.00 C ATOM 1231 C ASN A 82 -9.874 11.030 10.473 1.00 0.00 C ATOM 1232 O ASN A 82 -10.886 10.796 9.814 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.803 13.409 9.760 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.987 13.517 10.717 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.820 13.564 11.929 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -12.212 13.516 10.209 1.00 0.00 N ATOM 0 H ASN A 82 -7.934 12.582 8.280 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.245 12.381 10.874 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.189 14.306 9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.167 13.360 8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.021 13.555 10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.345 13.477 9.198 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.544 10.372 11.586 1.00 0.00 N ATOM 1244 CA GLY A 83 -10.434 9.458 12.267 1.00 0.00 C ATOM 1245 C GLY A 83 -11.009 8.374 11.363 1.00 0.00 C ATOM 1246 O GLY A 83 -12.152 7.968 11.586 1.00 0.00 O ATOM 0 H GLY A 83 -8.635 10.468 12.038 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.896 8.986 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.255 10.024 12.707 1.00 0.00 H new ATOM 1250 N GLY A 84 -10.295 7.952 10.321 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.823 7.020 9.352 1.00 0.00 C ATOM 1252 C GLY A 84 -9.730 6.508 8.435 1.00 0.00 C ATOM 1253 O GLY A 84 -8.702 7.154 8.226 1.00 0.00 O ATOM 0 H GLY A 84 -9.338 8.251 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.292 6.182 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.600 7.506 8.761 1.00 0.00 H new ATOM 1257 N GLU A 85 -10.000 5.355 7.842 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.155 4.646 6.907 1.00 0.00 C ATOM 1259 C GLU A 85 -10.057 4.275 5.733 1.00 0.00 C ATOM 1260 O GLU A 85 -11.263 4.072 5.907 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.558 3.386 7.568 1.00 0.00 C ATOM 1262 CG GLU A 85 -7.166 3.571 8.182 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.135 4.001 9.657 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.712 5.041 10.031 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.449 3.320 10.457 1.00 0.00 O ATOM 0 H GLU A 85 -10.875 4.861 8.016 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.312 5.255 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.240 3.046 8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.506 2.593 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.620 2.633 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.627 4.315 7.595 1.00 0.00 H new ATOM 1272 N SER A 86 -9.480 4.159 4.542 1.00 0.00 N ATOM 1273 CA SER A 86 -10.227 3.835 3.336 1.00 0.00 C ATOM 1274 C SER A 86 -10.374 2.311 3.225 1.00 0.00 C ATOM 1275 O SER A 86 -9.988 1.572 4.144 1.00 0.00 O ATOM 1276 CB SER A 86 -9.542 4.465 2.121 1.00 0.00 C ATOM 1277 OG SER A 86 -8.910 5.700 2.433 1.00 0.00 O ATOM 0 H SER A 86 -8.480 4.287 4.387 1.00 0.00 H new ATOM 0 HA SER A 86 -11.233 4.252 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.801 3.771 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.280 4.626 1.335 1.00 0.00 H new ATOM 0 HG SER A 86 -8.230 5.554 3.124 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.870 1.799 2.097 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.762 0.372 1.799 1.00 0.00 C ATOM 1285 C ALA A 87 -9.277 -0.004 1.735 1.00 0.00 C ATOM 1286 O ALA A 87 -8.468 0.816 1.271 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.420 0.022 0.463 1.00 0.00 C ATOM 0 H ALA A 87 -11.347 2.347 1.381 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.275 -0.183 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.319 -1.047 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.477 0.286 0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.933 0.577 -0.339 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.883 -1.209 2.177 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.528 -1.675 1.960 1.00 0.00 C ATOM 1295 C PRO A 88 -7.312 -1.811 0.456 1.00 0.00 C ATOM 1296 O PRO A 88 -8.170 -2.330 -0.265 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.418 -3.020 2.677 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.860 -3.529 2.710 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.707 -2.256 2.765 1.00 0.00 C ATOM 0 HA PRO A 88 -6.769 -0.994 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.762 -3.707 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.010 -2.907 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.092 -4.124 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.038 -4.164 3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.637 -2.380 2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.979 -2.010 3.792 1.00 0.00 H new ATOM 1307 N THR A 89 -6.160 -1.357 -0.012 1.00 0.00 N ATOM 1308 CA THR A 89 -5.719 -1.552 -1.377 1.00 0.00 C ATOM 1309 C THR A 89 -4.558 -2.535 -1.305 1.00 0.00 C ATOM 1310 O THR A 89 -3.438 -2.142 -0.981 1.00 0.00 O ATOM 1311 CB THR A 89 -5.385 -0.206 -2.045 1.00 0.00 C ATOM 1312 OG1 THR A 89 -4.894 0.773 -1.138 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.641 0.390 -2.671 1.00 0.00 C ATOM 0 H THR A 89 -5.496 -0.834 0.559 1.00 0.00 H new ATOM 0 HA THR A 89 -6.496 -1.971 -2.017 1.00 0.00 H new ATOM 0 HB THR A 89 -4.612 -0.434 -2.779 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.278 0.351 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.396 1.342 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.034 -0.296 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.392 0.550 -1.898 1.00 0.00 H new ATOM 1321 N THR A 90 -4.847 -3.814 -1.528 1.00 0.00 N ATOM 1322 CA THR A 90 -3.860 -4.883 -1.525 1.00 0.00 C ATOM 1323 C THR A 90 -3.771 -5.439 -2.936 1.00 0.00 C ATOM 1324 O THR A 90 -4.779 -5.517 -3.647 1.00 0.00 O ATOM 1325 CB THR A 90 -4.227 -5.965 -0.492 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.508 -5.353 0.756 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.094 -6.991 -0.317 1.00 0.00 C ATOM 0 H THR A 90 -5.794 -4.140 -1.720 1.00 0.00 H new ATOM 0 HA THR A 90 -2.882 -4.503 -1.229 1.00 0.00 H new ATOM 0 HB THR A 90 -5.107 -6.494 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.743 -6.042 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.390 -7.738 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.896 -7.480 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.192 -6.483 0.024 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.561 -5.810 -3.339 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.274 -6.502 -4.579 1.00 0.00 C ATOM 1337 C LEU A 91 -1.322 -7.623 -4.201 1.00 0.00 C ATOM 1338 O LEU A 91 -0.213 -7.333 -3.755 1.00 0.00 O ATOM 1339 CB LEU A 91 -1.686 -5.539 -5.613 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.638 -4.462 -6.153 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -1.867 -3.486 -7.052 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.800 -5.047 -6.949 1.00 0.00 C ATOM 0 H LEU A 91 -1.724 -5.627 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.169 -6.908 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.824 -5.042 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.317 -6.124 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.051 -3.947 -5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.549 -2.725 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.075 -3.009 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.429 -4.030 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.440 -4.240 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.413 -5.606 -7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.379 -5.714 -6.310 1.00 0.00 H new ATOM 1354 N THR A 92 -1.762 -8.879 -4.277 1.00 0.00 N ATOM 1355 CA THR A 92 -0.853 -9.998 -4.073 1.00 0.00 C ATOM 1356 C THR A 92 -0.136 -10.320 -5.389 1.00 0.00 C ATOM 1357 O THR A 92 -0.658 -10.020 -6.477 1.00 0.00 O ATOM 1358 CB THR A 92 -1.590 -11.186 -3.434 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.660 -11.931 -2.695 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.296 -12.103 -4.434 1.00 0.00 C ATOM 0 H THR A 92 -2.728 -9.141 -4.475 1.00 0.00 H new ATOM 0 HA THR A 92 -0.073 -9.735 -3.358 1.00 0.00 H new ATOM 0 HB THR A 92 -2.379 -10.772 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.975 -12.025 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.790 -12.914 -3.898 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.038 -11.531 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.564 -12.519 -5.126 1.00 0.00 H new ATOM 1368 N GLN A 93 1.047 -10.929 -5.318 1.00 0.00 N ATOM 1369 CA GLN A 93 1.769 -11.460 -6.467 1.00 0.00 C ATOM 1370 C GLN A 93 2.840 -12.425 -5.976 1.00 0.00 C ATOM 1371 O GLN A 93 3.663 -12.057 -5.129 1.00 0.00 O ATOM 1372 CB GLN A 93 2.410 -10.307 -7.266 1.00 0.00 C ATOM 1373 CG GLN A 93 3.252 -10.737 -8.483 1.00 0.00 C ATOM 1374 CD GLN A 93 2.407 -11.402 -9.565 1.00 0.00 C ATOM 1375 OE1 GLN A 93 2.070 -12.582 -9.475 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.020 -10.663 -10.591 1.00 0.00 N ATOM 0 H GLN A 93 1.540 -11.069 -4.436 1.00 0.00 H new ATOM 0 HA GLN A 93 1.079 -11.990 -7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.618 -9.641 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.043 -9.729 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.754 -9.865 -8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.031 -11.427 -8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.307 -9.686 -10.653 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.435 -11.070 -11.321 1.00 0.00 H new ATOM 1385 N GLN A 94 2.902 -13.605 -6.592 1.00 0.00 N ATOM 1386 CA GLN A 94 3.976 -14.557 -6.413 1.00 0.00 C ATOM 1387 C GLN A 94 5.020 -14.404 -7.520 1.00 0.00 C ATOM 1388 O GLN A 94 5.081 -15.220 -8.449 1.00 0.00 O ATOM 1389 CB GLN A 94 3.384 -15.962 -6.312 1.00 0.00 C ATOM 1390 CG GLN A 94 4.433 -16.943 -5.784 1.00 0.00 C ATOM 1391 CD GLN A 94 3.857 -18.328 -5.543 1.00 0.00 C ATOM 1392 OE1 GLN A 94 3.530 -19.043 -6.492 1.00 0.00 O ATOM 1393 NE2 GLN A 94 3.745 -18.761 -4.296 1.00 0.00 N ATOM 0 H GLN A 94 2.185 -13.925 -7.243 1.00 0.00 H new ATOM 0 HA GLN A 94 4.509 -14.365 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.519 -15.953 -5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.032 -16.287 -7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.254 -17.012 -6.498 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.851 -16.559 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.020 -18.158 -3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.384 -19.697 -4.112 1.00 0.00 H new ATOM 1402 N THR A 95 5.876 -13.391 -7.380 1.00 0.00 N ATOM 1403 CA THR A 95 7.096 -13.242 -8.171 1.00 0.00 C ATOM 1404 C THR A 95 6.756 -13.194 -9.668 1.00 0.00 C ATOM 1405 O THR A 95 7.489 -13.783 -10.500 1.00 0.00 O ATOM 1406 CB THR A 95 8.064 -14.372 -7.752 1.00 0.00 C ATOM 1407 OG1 THR A 95 8.070 -14.525 -6.343 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.516 -14.168 -8.166 1.00 0.00 C ATOM 1409 OXT THR A 95 5.781 -12.508 -10.039 1.00 0.00 O ATOM 0 H THR A 95 5.738 -12.640 -6.703 1.00 0.00 H new ATOM 0 HA THR A 95 7.603 -12.296 -7.979 1.00 0.00 H new ATOM 0 HB THR A 95 7.681 -15.248 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.499 -15.282 -6.094 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.114 -15.014 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.578 -14.093 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.897 -13.251 -7.717 1.00 0.00 H new