USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 85 THR OG1 : rot -48:sc= 0.891 USER MOD Set 1.2: A 106 HIS : no HE2:sc= -0.47 K(o=0.42,f=-1.2) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.967 K(o=0.97,f=-1.7!) USER MOD Single : A 39 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.9!) USER MOD Single : A 43 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 49 THR OG1 : rot -54:sc= 0.58 USER MOD Single : A 52 SER OG : rot 68:sc= -0.921! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -88:sc= -1.39! USER MOD Single : A 72 GLN : amide:sc= -0.666 K(o=-0.67,f=-4.2!) USER MOD Single : A 76 TYR OH : rot 0:sc= 0.767 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -20:sc= -0.217 USER MOD Single : A 82 GLN : amide:sc=-0.00146 K(o=-0.0015,f=-0.75) USER MOD Single : A 84 SER OG : rot 175:sc= -1.19 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0234 F(o=-1.1,f=-0.023) USER MOD Single : A 93 ASN : amide:sc= -0.244 K(o=-0.24,f=-3.5) USER MOD Single : A 96 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.15) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl -164:sc= -0.089 (180deg=-0.439) USER MOD Single : B 230 SER OG : rot -31:sc= 0.0668 USER MOD Single : B 244 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.09) USER MOD Single : B 248 LYS NZ :NH3+ -173:sc= -0.0258 (180deg=-0.117) USER MOD Single : B 249 GLN :FLIP amide:sc= -0.935 F(o=-1.9,f=-0.93) USER MOD Single : B 250 ASN : amide:sc= 0.868 K(o=0.87,f=-1.4) USER MOD Single : B 253 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.446 8.781 5.014 1.00 0.00 N ATOM 102 CA ALA A 31 3.302 8.349 3.626 1.00 0.00 C ATOM 103 C ALA A 31 3.068 6.863 3.564 1.00 0.00 C ATOM 104 O ALA A 31 2.762 6.318 2.503 1.00 0.00 O ATOM 105 CB ALA A 31 4.539 8.706 2.802 1.00 0.00 C ATOM 0 HA ALA A 31 2.443 8.871 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.400 8.371 1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.686 9.786 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.414 8.216 3.228 1.00 0.00 H new ATOM 111 N TYR A 32 3.186 6.217 4.700 1.00 0.00 N ATOM 112 CA TYR A 32 3.077 4.788 4.773 1.00 0.00 C ATOM 113 C TYR A 32 1.796 4.399 5.477 1.00 0.00 C ATOM 114 O TYR A 32 1.334 5.102 6.392 1.00 0.00 O ATOM 115 CB TYR A 32 4.263 4.221 5.552 1.00 0.00 C ATOM 116 CG TYR A 32 5.613 4.723 5.092 1.00 0.00 C ATOM 117 CD1 TYR A 32 5.997 4.629 3.769 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.498 5.296 5.986 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.221 5.083 3.347 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.726 5.749 5.569 1.00 0.00 C ATOM 121 CZ TYR A 32 8.079 5.638 4.249 1.00 0.00 C ATOM 122 OH TYR A 32 9.307 6.081 3.829 1.00 0.00 O ATOM 0 H TYR A 32 3.360 6.671 5.596 1.00 0.00 H new ATOM 0 HA TYR A 32 3.071 4.385 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.139 4.465 6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.247 3.134 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.320 4.189 3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.220 5.389 7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.503 5.001 2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.410 6.191 6.278 1.00 0.00 H new ATOM 0 HH TYR A 32 9.800 6.451 4.591 1.00 0.00 H new ATOM 132 N ILE A 33 1.211 3.307 5.051 1.00 0.00 N ATOM 133 CA ILE A 33 0.029 2.767 5.678 1.00 0.00 C ATOM 134 C ILE A 33 0.128 1.273 5.785 1.00 0.00 C ATOM 135 O ILE A 33 0.878 0.628 5.037 1.00 0.00 O ATOM 136 CB ILE A 33 -1.285 3.114 4.941 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.200 2.735 3.462 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.637 4.576 5.122 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.502 2.864 2.729 1.00 0.00 C ATOM 0 H ILE A 33 1.543 2.764 4.254 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.012 3.232 6.663 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.089 2.526 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.456 3.367 2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.847 1.707 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.565 4.795 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.764 4.791 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.836 5.196 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.362 2.578 1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.244 2.211 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.847 3.897 2.779 1.00 0.00 H new ATOM 151 N TYR A 34 -0.604 0.743 6.712 1.00 0.00 N ATOM 152 CA TYR A 34 -0.692 -0.649 6.947 1.00 0.00 C ATOM 153 C TYR A 34 -2.030 -1.125 6.459 1.00 0.00 C ATOM 154 O TYR A 34 -3.068 -0.592 6.865 1.00 0.00 O ATOM 155 CB TYR A 34 -0.542 -0.932 8.456 1.00 0.00 C ATOM 156 CG TYR A 34 -1.004 -2.302 8.892 1.00 0.00 C ATOM 157 CD1 TYR A 34 -0.242 -3.430 8.659 1.00 0.00 C ATOM 158 CD2 TYR A 34 -2.225 -2.451 9.523 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.688 -4.679 9.049 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.687 -3.682 9.913 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.914 -4.804 9.674 1.00 0.00 C ATOM 162 OH TYR A 34 -2.371 -6.059 10.053 1.00 0.00 O ATOM 0 H TYR A 34 -1.177 1.297 7.348 1.00 0.00 H new ATOM 0 HA TYR A 34 0.103 -1.175 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.506 -0.813 8.731 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.105 -0.181 9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.714 -3.335 8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.830 -1.577 9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.081 -5.553 8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.645 -3.775 10.402 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.249 -5.972 10.480 1.00 0.00 H new ATOM 172 N ILE A 35 -2.012 -2.064 5.577 1.00 0.00 N ATOM 173 CA ILE A 35 -3.215 -2.671 5.108 1.00 0.00 C ATOM 174 C ILE A 35 -3.247 -4.070 5.696 1.00 0.00 C ATOM 175 O ILE A 35 -2.281 -4.811 5.576 1.00 0.00 O ATOM 176 CB ILE A 35 -3.204 -2.795 3.573 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.792 -1.481 2.939 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.608 -3.155 3.095 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.122 -1.647 1.599 1.00 0.00 C ATOM 0 H ILE A 35 -1.160 -2.436 5.157 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.077 -2.071 5.400 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.492 -3.568 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.674 -0.851 2.821 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.114 -0.957 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.611 -3.245 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.911 -4.103 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.306 -2.374 3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.854 -0.668 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.222 -2.251 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.805 -2.143 0.909 1.00 0.00 H new ATOM 191 N GLY A 36 -4.315 -4.403 6.325 1.00 0.00 N ATOM 192 CA GLY A 36 -4.476 -5.681 6.944 1.00 0.00 C ATOM 193 C GLY A 36 -5.691 -6.384 6.420 1.00 0.00 C ATOM 194 O GLY A 36 -6.591 -5.736 5.888 1.00 0.00 O ATOM 0 H GLY A 36 -5.121 -3.787 6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.592 -6.291 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.561 -5.558 8.024 1.00 0.00 H new ATOM 198 N ASN A 37 -5.720 -7.687 6.604 1.00 0.00 N ATOM 199 CA ASN A 37 -6.754 -8.590 6.085 1.00 0.00 C ATOM 200 C ASN A 37 -6.695 -8.704 4.600 1.00 0.00 C ATOM 201 O ASN A 37 -7.701 -8.591 3.901 1.00 0.00 O ATOM 202 CB ASN A 37 -8.180 -8.293 6.561 1.00 0.00 C ATOM 203 CG ASN A 37 -8.410 -8.670 7.996 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.773 -9.582 8.529 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.331 -8.013 8.624 1.00 0.00 N ATOM 0 H ASN A 37 -5.002 -8.176 7.138 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.508 -9.557 6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.386 -7.230 6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.887 -8.833 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.551 -8.243 9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.837 -7.265 8.150 1.00 0.00 H new ATOM 212 N LEU A 38 -5.511 -8.930 4.111 1.00 0.00 N ATOM 213 CA LEU A 38 -5.317 -9.160 2.710 1.00 0.00 C ATOM 214 C LEU A 38 -5.824 -10.506 2.320 1.00 0.00 C ATOM 215 O LEU A 38 -5.784 -11.458 3.105 1.00 0.00 O ATOM 216 CB LEU A 38 -3.861 -8.975 2.265 1.00 0.00 C ATOM 217 CG LEU A 38 -3.489 -7.587 1.748 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.271 -7.286 0.489 1.00 0.00 C ATOM 219 CD2 LEU A 38 -3.752 -6.525 2.789 1.00 0.00 C ATOM 0 H LEU A 38 -4.657 -8.960 4.668 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.897 -8.398 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.212 -9.213 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.646 -9.702 1.482 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.422 -7.579 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.003 -6.295 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.036 -8.030 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.338 -7.316 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.477 -5.549 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.810 -6.525 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.159 -6.733 3.679 1.00 0.00 H new ATOM 231 N ASN A 39 -6.340 -10.571 1.144 1.00 0.00 N ATOM 232 CA ASN A 39 -6.864 -11.783 0.616 1.00 0.00 C ATOM 233 C ASN A 39 -5.803 -12.385 -0.226 1.00 0.00 C ATOM 234 O ASN A 39 -5.059 -11.660 -0.873 1.00 0.00 O ATOM 235 CB ASN A 39 -8.119 -11.491 -0.202 1.00 0.00 C ATOM 236 CG ASN A 39 -8.930 -12.729 -0.506 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.878 -13.714 0.216 1.00 0.00 O ATOM 238 ND2 ASN A 39 -9.720 -12.673 -1.524 1.00 0.00 N ATOM 0 H ASN A 39 -6.412 -9.774 0.512 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.148 -12.474 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.742 -10.780 0.341 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.832 -11.013 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.324 -13.465 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.741 -11.837 -2.108 1.00 0.00 H new ATOM 245 N ARG A 40 -5.726 -13.687 -0.230 1.00 0.00 N ATOM 246 CA ARG A 40 -4.688 -14.418 -0.953 1.00 0.00 C ATOM 247 C ARG A 40 -4.676 -14.118 -2.458 1.00 0.00 C ATOM 248 O ARG A 40 -3.657 -14.271 -3.123 1.00 0.00 O ATOM 249 CB ARG A 40 -4.793 -15.925 -0.633 1.00 0.00 C ATOM 250 CG ARG A 40 -6.173 -16.548 -0.852 1.00 0.00 C ATOM 251 CD ARG A 40 -6.496 -16.717 -2.309 1.00 0.00 C ATOM 252 NE ARG A 40 -7.812 -17.297 -2.513 1.00 0.00 N ATOM 253 CZ ARG A 40 -8.387 -17.513 -3.695 1.00 0.00 C ATOM 254 NH1 ARG A 40 -7.737 -17.260 -4.822 1.00 0.00 N ATOM 255 NH2 ARG A 40 -9.612 -18.001 -3.743 1.00 0.00 N ATOM 0 H ARG A 40 -6.382 -14.288 0.269 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.718 -14.065 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.070 -16.461 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.504 -16.079 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.214 -17.519 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.931 -15.920 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.446 -15.748 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.744 -17.353 -2.775 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.340 -17.561 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.785 -16.895 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.189 -17.430 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.112 -18.210 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.059 -18.169 -4.644 1.00 0.00 H new ATOM 269 N GLU A 41 -5.791 -13.636 -2.970 1.00 0.00 N ATOM 270 CA GLU A 41 -5.876 -13.324 -4.382 1.00 0.00 C ATOM 271 C GLU A 41 -5.656 -11.841 -4.640 1.00 0.00 C ATOM 272 O GLU A 41 -5.802 -11.363 -5.764 1.00 0.00 O ATOM 273 CB GLU A 41 -7.173 -13.822 -5.005 1.00 0.00 C ATOM 274 CG GLU A 41 -8.427 -13.274 -4.390 1.00 0.00 C ATOM 275 CD GLU A 41 -9.664 -13.786 -5.077 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.067 -13.214 -6.120 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.275 -14.744 -4.589 1.00 0.00 O ATOM 0 H GLU A 41 -6.641 -13.454 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.067 -13.863 -4.876 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.168 -13.571 -6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.198 -14.909 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.461 -13.544 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.409 -12.185 -4.440 1.00 0.00 H new ATOM 284 N LEU A 42 -5.316 -11.119 -3.602 1.00 0.00 N ATOM 285 CA LEU A 42 -4.984 -9.730 -3.741 1.00 0.00 C ATOM 286 C LEU A 42 -3.497 -9.569 -3.869 1.00 0.00 C ATOM 287 O LEU A 42 -2.732 -9.882 -2.953 1.00 0.00 O ATOM 288 CB LEU A 42 -5.543 -8.885 -2.599 1.00 0.00 C ATOM 289 CG LEU A 42 -7.057 -8.686 -2.612 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.508 -7.927 -1.376 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.470 -7.940 -3.875 1.00 0.00 C ATOM 0 H LEU A 42 -5.263 -11.476 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.455 -9.361 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.263 -9.351 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.065 -7.906 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.539 -9.664 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.590 -7.796 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.234 -8.490 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.024 -6.950 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.551 -7.801 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.979 -6.967 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.176 -8.517 -4.751 1.00 0.00 H new ATOM 303 N THR A 43 -3.104 -9.134 -5.014 1.00 0.00 N ATOM 304 CA THR A 43 -1.730 -8.931 -5.342 1.00 0.00 C ATOM 305 C THR A 43 -1.401 -7.449 -5.284 1.00 0.00 C ATOM 306 O THR A 43 -2.303 -6.613 -5.059 1.00 0.00 O ATOM 307 CB THR A 43 -1.396 -9.496 -6.746 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.250 -8.910 -7.745 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.527 -11.016 -6.775 1.00 0.00 C ATOM 0 H THR A 43 -3.745 -8.902 -5.773 1.00 0.00 H new ATOM 0 HA THR A 43 -1.123 -9.467 -4.612 1.00 0.00 H new ATOM 0 HB THR A 43 -0.361 -9.237 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.176 -9.192 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.286 -11.383 -7.773 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.839 -11.454 -6.052 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.549 -11.298 -6.521 1.00 0.00 H new ATOM 317 N GLU A 44 -0.125 -7.125 -5.465 1.00 0.00 N ATOM 318 CA GLU A 44 0.357 -5.747 -5.489 1.00 0.00 C ATOM 319 C GLU A 44 -0.431 -4.959 -6.533 1.00 0.00 C ATOM 320 O GLU A 44 -0.891 -3.852 -6.267 1.00 0.00 O ATOM 321 CB GLU A 44 1.843 -5.749 -5.869 1.00 0.00 C ATOM 322 CG GLU A 44 2.749 -6.451 -4.866 1.00 0.00 C ATOM 323 CD GLU A 44 4.102 -6.796 -5.448 1.00 0.00 C ATOM 324 OE1 GLU A 44 4.993 -5.934 -5.506 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.298 -7.961 -5.871 1.00 0.00 O ATOM 0 H GLU A 44 0.611 -7.818 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 44 0.226 -5.288 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.956 -6.230 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.178 -4.718 -5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.885 -5.811 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.263 -7.363 -4.519 1.00 0.00 H new ATOM 332 N GLY A 45 -0.634 -5.582 -7.691 1.00 0.00 N ATOM 333 CA GLY A 45 -1.391 -4.978 -8.769 1.00 0.00 C ATOM 334 C GLY A 45 -2.830 -4.633 -8.385 1.00 0.00 C ATOM 335 O GLY A 45 -3.322 -3.551 -8.726 1.00 0.00 O ATOM 0 H GLY A 45 -0.278 -6.514 -7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.883 -4.071 -9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.404 -5.659 -9.620 1.00 0.00 H new ATOM 339 N ASP A 46 -3.499 -5.535 -7.654 1.00 0.00 N ATOM 340 CA ASP A 46 -4.891 -5.308 -7.227 1.00 0.00 C ATOM 341 C ASP A 46 -4.946 -4.122 -6.301 1.00 0.00 C ATOM 342 O ASP A 46 -5.757 -3.203 -6.492 1.00 0.00 O ATOM 343 CB ASP A 46 -5.481 -6.522 -6.479 1.00 0.00 C ATOM 344 CG ASP A 46 -5.582 -7.792 -7.287 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.542 -7.948 -8.066 1.00 0.00 O ATOM 346 OD2 ASP A 46 -4.730 -8.690 -7.112 1.00 0.00 O ATOM 0 H ASP A 46 -3.104 -6.424 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.477 -5.137 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.868 -6.719 -5.599 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.476 -6.259 -6.121 1.00 0.00 H new ATOM 351 N ILE A 47 -4.058 -4.134 -5.311 1.00 0.00 N ATOM 352 CA ILE A 47 -3.974 -3.077 -4.320 1.00 0.00 C ATOM 353 C ILE A 47 -3.706 -1.734 -4.981 1.00 0.00 C ATOM 354 O ILE A 47 -4.379 -0.753 -4.691 1.00 0.00 O ATOM 355 CB ILE A 47 -2.872 -3.363 -3.255 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.225 -4.593 -2.412 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.637 -2.156 -2.368 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.226 -4.873 -1.304 1.00 0.00 C ATOM 0 H ILE A 47 -3.377 -4.881 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.938 -3.044 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.946 -3.572 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.213 -4.452 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.287 -5.465 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.863 -2.387 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.318 -1.312 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.561 -1.900 -1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.538 -5.757 -0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.241 -5.046 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.181 -4.017 -0.630 1.00 0.00 H new ATOM 370 N LEU A 48 -2.785 -1.724 -5.925 1.00 0.00 N ATOM 371 CA LEU A 48 -2.380 -0.504 -6.597 1.00 0.00 C ATOM 372 C LEU A 48 -3.533 0.156 -7.286 1.00 0.00 C ATOM 373 O LEU A 48 -3.724 1.346 -7.138 1.00 0.00 O ATOM 374 CB LEU A 48 -1.277 -0.782 -7.600 1.00 0.00 C ATOM 375 CG LEU A 48 0.122 -0.976 -7.043 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.053 -1.456 -8.140 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.638 0.330 -6.457 1.00 0.00 C ATOM 0 H LEU A 48 -2.297 -2.560 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.005 0.175 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.546 -1.677 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.248 0.044 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 48 0.087 -1.726 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.055 -1.593 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.690 -2.404 -8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.084 -0.716 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.642 0.179 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.666 1.092 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.024 0.655 -5.655 1.00 0.00 H new ATOM 389 N THR A 49 -4.315 -0.615 -7.994 1.00 0.00 N ATOM 390 CA THR A 49 -5.456 -0.100 -8.702 1.00 0.00 C ATOM 391 C THR A 49 -6.480 0.541 -7.758 1.00 0.00 C ATOM 392 O THR A 49 -6.943 1.660 -8.002 1.00 0.00 O ATOM 393 CB THR A 49 -6.103 -1.220 -9.497 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.137 -1.741 -10.418 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.305 -0.709 -10.247 1.00 0.00 C ATOM 0 H THR A 49 -4.178 -1.621 -8.096 1.00 0.00 H new ATOM 0 HA THR A 49 -5.109 0.682 -9.377 1.00 0.00 H new ATOM 0 HB THR A 49 -6.436 -2.005 -8.818 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.779 -1.011 -10.965 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.756 -1.525 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.033 -0.311 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.997 0.080 -10.933 1.00 0.00 H new ATOM 403 N VAL A 50 -6.777 -0.144 -6.675 1.00 0.00 N ATOM 404 CA VAL A 50 -7.737 0.337 -5.699 1.00 0.00 C ATOM 405 C VAL A 50 -7.221 1.600 -5.006 1.00 0.00 C ATOM 406 O VAL A 50 -7.918 2.605 -4.915 1.00 0.00 O ATOM 407 CB VAL A 50 -8.055 -0.767 -4.657 1.00 0.00 C ATOM 408 CG1 VAL A 50 -8.990 -0.256 -3.582 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.652 -1.984 -5.347 1.00 0.00 C ATOM 0 H VAL A 50 -6.363 -1.047 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.658 0.590 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.121 -1.056 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.193 -1.054 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.526 0.584 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.925 0.070 -4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.871 -2.752 -4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.572 -1.698 -5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.941 -2.375 -6.075 1.00 0.00 H new ATOM 419 N PHE A 51 -5.981 1.550 -4.591 1.00 0.00 N ATOM 420 CA PHE A 51 -5.338 2.630 -3.894 1.00 0.00 C ATOM 421 C PHE A 51 -5.106 3.839 -4.794 1.00 0.00 C ATOM 422 O PHE A 51 -5.012 4.966 -4.329 1.00 0.00 O ATOM 423 CB PHE A 51 -4.071 2.122 -3.216 1.00 0.00 C ATOM 424 CG PHE A 51 -4.365 1.296 -1.957 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.277 0.251 -1.975 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.725 1.573 -0.768 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.534 -0.492 -0.851 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.981 0.838 0.359 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.880 -0.197 0.326 1.00 0.00 C ATOM 0 H PHE A 51 -5.379 0.739 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.004 2.993 -3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.505 1.513 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.441 2.971 -2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.796 0.018 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.011 2.382 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.245 -1.304 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.471 1.075 1.281 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.074 -0.777 1.216 1.00 0.00 H new ATOM 439 N SER A 52 -5.106 3.608 -6.089 1.00 0.00 N ATOM 440 CA SER A 52 -4.977 4.678 -7.047 1.00 0.00 C ATOM 441 C SER A 52 -6.242 5.535 -7.114 1.00 0.00 C ATOM 442 O SER A 52 -6.191 6.668 -7.574 1.00 0.00 O ATOM 443 CB SER A 52 -4.617 4.146 -8.414 1.00 0.00 C ATOM 444 OG SER A 52 -3.332 3.567 -8.423 1.00 0.00 O ATOM 0 H SER A 52 -5.195 2.680 -6.502 1.00 0.00 H new ATOM 0 HA SER A 52 -4.164 5.318 -6.706 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.353 3.404 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.657 4.956 -9.142 1.00 0.00 H new ATOM 0 HG SER A 52 -3.339 2.747 -7.887 1.00 0.00 H new ATOM 450 N GLU A 53 -7.374 5.011 -6.645 1.00 0.00 N ATOM 451 CA GLU A 53 -8.589 5.818 -6.594 1.00 0.00 C ATOM 452 C GLU A 53 -8.406 6.897 -5.512 1.00 0.00 C ATOM 453 O GLU A 53 -8.920 8.012 -5.613 1.00 0.00 O ATOM 454 CB GLU A 53 -9.824 4.968 -6.234 1.00 0.00 C ATOM 455 CG GLU A 53 -11.138 5.738 -6.368 1.00 0.00 C ATOM 456 CD GLU A 53 -12.301 5.124 -5.619 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.997 4.230 -6.158 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.582 5.588 -4.493 1.00 0.00 O ATOM 0 H GLU A 53 -7.474 4.055 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.753 6.258 -7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.856 4.091 -6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.724 4.606 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.987 6.756 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.398 5.808 -7.424 1.00 0.00 H new ATOM 465 N TYR A 54 -7.603 6.566 -4.515 1.00 0.00 N ATOM 466 CA TYR A 54 -7.408 7.412 -3.360 1.00 0.00 C ATOM 467 C TYR A 54 -6.182 8.294 -3.511 1.00 0.00 C ATOM 468 O TYR A 54 -5.898 9.135 -2.665 1.00 0.00 O ATOM 469 CB TYR A 54 -7.321 6.557 -2.103 1.00 0.00 C ATOM 470 CG TYR A 54 -8.514 5.632 -1.941 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.784 6.133 -1.692 1.00 0.00 C ATOM 472 CD2 TYR A 54 -8.362 4.265 -2.054 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.868 5.284 -1.562 1.00 0.00 C ATOM 474 CE2 TYR A 54 -9.430 3.408 -1.923 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.687 3.922 -1.679 1.00 0.00 C ATOM 476 OH TYR A 54 -11.763 3.075 -1.548 1.00 0.00 O ATOM 0 H TYR A 54 -7.068 5.698 -4.488 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.267 8.078 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.407 5.963 -2.135 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.249 7.207 -1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.928 7.199 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.381 3.858 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.852 5.686 -1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.286 2.341 -2.010 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.465 2.148 -1.659 1.00 0.00 H new ATOM 486 N GLY A 55 -5.457 8.117 -4.584 1.00 0.00 N ATOM 487 CA GLY A 55 -4.329 8.953 -4.818 1.00 0.00 C ATOM 488 C GLY A 55 -3.321 8.322 -5.710 1.00 0.00 C ATOM 489 O GLY A 55 -3.650 7.450 -6.502 1.00 0.00 O ATOM 0 H GLY A 55 -5.631 7.408 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.663 9.891 -5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.861 9.199 -3.865 1.00 0.00 H new ATOM 493 N VAL A 56 -2.096 8.756 -5.588 1.00 0.00 N ATOM 494 CA VAL A 56 -1.028 8.252 -6.418 1.00 0.00 C ATOM 495 C VAL A 56 -0.094 7.363 -5.604 1.00 0.00 C ATOM 496 O VAL A 56 0.686 7.866 -4.778 1.00 0.00 O ATOM 497 CB VAL A 56 -0.219 9.409 -7.064 1.00 0.00 C ATOM 498 CG1 VAL A 56 0.904 8.874 -7.942 1.00 0.00 C ATOM 499 CG2 VAL A 56 -1.137 10.306 -7.872 1.00 0.00 C ATOM 0 H VAL A 56 -1.808 9.466 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.481 7.663 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 56 0.231 9.994 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.452 9.708 -8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.582 8.271 -7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.483 8.259 -8.737 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.556 11.113 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.615 9.723 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.901 10.728 -7.219 1.00 0.00 H new ATOM 509 N PRO A 57 -0.194 6.041 -5.773 1.00 0.00 N ATOM 510 CA PRO A 57 0.672 5.094 -5.095 1.00 0.00 C ATOM 511 C PRO A 57 2.033 5.006 -5.793 1.00 0.00 C ATOM 512 O PRO A 57 2.114 5.021 -7.029 1.00 0.00 O ATOM 513 CB PRO A 57 -0.093 3.778 -5.243 1.00 0.00 C ATOM 514 CG PRO A 57 -0.796 3.908 -6.538 1.00 0.00 C ATOM 515 CD PRO A 57 -1.174 5.354 -6.649 1.00 0.00 C ATOM 0 HA PRO A 57 0.884 5.363 -4.060 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.583 2.923 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.795 3.631 -4.422 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.153 3.607 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.678 3.269 -6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.108 5.707 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.198 5.527 -6.317 1.00 0.00 H new ATOM 523 N VAL A 58 3.095 4.940 -5.027 1.00 0.00 N ATOM 524 CA VAL A 58 4.416 4.866 -5.634 1.00 0.00 C ATOM 525 C VAL A 58 5.118 3.540 -5.349 1.00 0.00 C ATOM 526 O VAL A 58 6.006 3.128 -6.103 1.00 0.00 O ATOM 527 CB VAL A 58 5.340 6.061 -5.252 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.773 7.371 -5.749 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.559 6.137 -3.764 1.00 0.00 C ATOM 0 H VAL A 58 3.081 4.935 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 58 4.233 4.930 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 58 6.301 5.886 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.440 8.186 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.678 7.338 -6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.791 7.535 -5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.208 6.982 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.601 6.268 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.027 5.216 -3.418 1.00 0.00 H new ATOM 539 N ASP A 59 4.722 2.864 -4.287 1.00 0.00 N ATOM 540 CA ASP A 59 5.350 1.598 -3.919 1.00 0.00 C ATOM 541 C ASP A 59 4.386 0.783 -3.101 1.00 0.00 C ATOM 542 O ASP A 59 3.605 1.349 -2.318 1.00 0.00 O ATOM 543 CB ASP A 59 6.633 1.852 -3.121 1.00 0.00 C ATOM 544 CG ASP A 59 7.408 0.597 -2.784 1.00 0.00 C ATOM 545 OD1 ASP A 59 7.685 -0.221 -3.686 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.826 0.454 -1.630 1.00 0.00 O ATOM 0 H ASP A 59 3.973 3.164 -3.663 1.00 0.00 H new ATOM 0 HA ASP A 59 5.610 1.051 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.277 2.522 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.377 2.368 -2.196 1.00 0.00 H new ATOM 551 N VAL A 60 4.408 -0.513 -3.300 1.00 0.00 N ATOM 552 CA VAL A 60 3.539 -1.421 -2.604 1.00 0.00 C ATOM 553 C VAL A 60 4.285 -2.746 -2.369 1.00 0.00 C ATOM 554 O VAL A 60 4.983 -3.249 -3.256 1.00 0.00 O ATOM 555 CB VAL A 60 2.216 -1.658 -3.408 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.474 -2.338 -4.736 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.182 -2.417 -2.597 1.00 0.00 C ATOM 0 H VAL A 60 5.039 -0.969 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 60 3.260 -0.988 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 60 1.803 -0.671 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.529 -2.483 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.133 -1.716 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.945 -3.306 -4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.282 -2.558 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.585 -3.389 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.936 -1.850 -1.699 1.00 0.00 H new ATOM 567 N ILE A 61 4.224 -3.242 -1.168 1.00 0.00 N ATOM 568 CA ILE A 61 4.832 -4.504 -0.820 1.00 0.00 C ATOM 569 C ILE A 61 3.768 -5.453 -0.300 1.00 0.00 C ATOM 570 O ILE A 61 2.993 -5.090 0.594 1.00 0.00 O ATOM 571 CB ILE A 61 5.944 -4.316 0.243 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.049 -3.407 -0.303 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.527 -5.661 0.673 1.00 0.00 C ATOM 574 CD1 ILE A 61 8.050 -2.992 0.736 1.00 0.00 C ATOM 0 H ILE A 61 3.748 -2.782 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 61 5.292 -4.925 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 61 5.500 -3.846 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.568 -3.924 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.595 -2.515 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.305 -5.499 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.738 -6.280 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.955 -6.166 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.803 -2.350 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.543 -2.447 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.531 -3.877 1.152 1.00 0.00 H new ATOM 586 N LEU A 62 3.712 -6.635 -0.855 1.00 0.00 N ATOM 587 CA LEU A 62 2.777 -7.626 -0.410 1.00 0.00 C ATOM 588 C LEU A 62 3.558 -8.620 0.429 1.00 0.00 C ATOM 589 O LEU A 62 4.591 -9.137 -0.021 1.00 0.00 O ATOM 590 CB LEU A 62 2.162 -8.367 -1.611 1.00 0.00 C ATOM 591 CG LEU A 62 0.684 -8.800 -1.495 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.381 -9.529 -0.193 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.215 -7.609 -1.661 1.00 0.00 C ATOM 0 H LEU A 62 4.311 -6.934 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 62 1.971 -7.158 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.258 -7.726 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.761 -9.258 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 62 0.493 -9.513 -2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.672 -9.808 -0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.996 -10.427 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.602 -8.875 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.255 -7.924 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.005 -6.876 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.049 -7.161 -2.641 1.00 0.00 H new ATOM 605 N SER A 63 3.108 -8.876 1.616 1.00 0.00 N ATOM 606 CA SER A 63 3.766 -9.819 2.452 1.00 0.00 C ATOM 607 C SER A 63 3.171 -11.198 2.177 1.00 0.00 C ATOM 608 O SER A 63 1.955 -11.418 2.342 1.00 0.00 O ATOM 609 CB SER A 63 3.582 -9.410 3.908 1.00 0.00 C ATOM 610 OG SER A 63 2.233 -9.468 4.297 1.00 0.00 O ATOM 0 H SER A 63 2.282 -8.440 2.027 1.00 0.00 H new ATOM 0 HA SER A 63 4.836 -9.850 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.174 -10.065 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.959 -8.398 4.052 1.00 0.00 H new ATOM 0 HG SER A 63 1.799 -8.612 4.101 1.00 0.00 H new ATOM 616 N ARG A 64 3.967 -12.109 1.707 1.00 0.00 N ATOM 617 CA ARG A 64 3.460 -13.413 1.446 1.00 0.00 C ATOM 618 C ARG A 64 4.195 -14.418 2.272 1.00 0.00 C ATOM 619 O ARG A 64 5.414 -14.519 2.218 1.00 0.00 O ATOM 620 CB ARG A 64 3.477 -13.756 -0.051 1.00 0.00 C ATOM 621 CG ARG A 64 2.586 -12.838 -0.889 1.00 0.00 C ATOM 622 CD ARG A 64 2.566 -13.211 -2.369 1.00 0.00 C ATOM 623 NE ARG A 64 2.012 -14.553 -2.610 1.00 0.00 N ATOM 624 CZ ARG A 64 1.095 -14.875 -3.544 1.00 0.00 C ATOM 625 NH1 ARG A 64 0.608 -13.943 -4.373 1.00 0.00 N ATOM 626 NH2 ARG A 64 0.670 -16.134 -3.648 1.00 0.00 N ATOM 0 H ARG A 64 4.956 -11.973 1.500 1.00 0.00 H new ATOM 0 HA ARG A 64 2.410 -13.438 1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.501 -13.694 -0.420 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.152 -14.788 -0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.569 -12.873 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.933 -11.810 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.977 -12.476 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.581 -13.165 -2.765 1.00 0.00 H new ATOM 0 HE ARG A 64 2.353 -15.309 -2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.931 -12.978 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.086 -14.198 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.039 -16.850 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.024 -16.381 -4.354 1.00 0.00 H new ATOM 728 N GLN A 72 0.450 -13.156 3.982 1.00 0.00 N ATOM 729 CA GLN A 72 0.533 -12.949 5.410 1.00 0.00 C ATOM 730 C GLN A 72 -0.718 -12.244 5.876 1.00 0.00 C ATOM 731 O GLN A 72 -1.001 -12.152 7.080 1.00 0.00 O ATOM 732 CB GLN A 72 1.739 -12.116 5.757 1.00 0.00 C ATOM 733 CG GLN A 72 3.058 -12.827 5.632 1.00 0.00 C ATOM 734 CD GLN A 72 3.294 -13.796 6.760 1.00 0.00 C ATOM 735 OE1 GLN A 72 2.363 -14.365 7.340 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.521 -13.995 7.076 1.00 0.00 N ATOM 0 HA GLN A 72 0.627 -13.916 5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.754 -11.238 5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.632 -11.757 6.781 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.091 -13.362 4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.863 -12.093 5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.263 -13.507 6.574 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.755 -14.642 7.829 1.00 0.00 H new ATOM 745 N GLY A 73 -1.466 -11.743 4.917 1.00 0.00 N ATOM 746 CA GLY A 73 -2.685 -11.071 5.212 1.00 0.00 C ATOM 747 C GLY A 73 -2.492 -9.613 5.510 1.00 0.00 C ATOM 748 O GLY A 73 -3.375 -8.985 6.060 1.00 0.00 O ATOM 0 H GLY A 73 -1.238 -11.796 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.366 -11.177 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.161 -11.551 6.067 1.00 0.00 H new ATOM 752 N PHE A 74 -1.359 -9.065 5.150 1.00 0.00 N ATOM 753 CA PHE A 74 -1.134 -7.651 5.331 1.00 0.00 C ATOM 754 C PHE A 74 -0.288 -7.141 4.180 1.00 0.00 C ATOM 755 O PHE A 74 0.369 -7.930 3.504 1.00 0.00 O ATOM 756 CB PHE A 74 -0.490 -7.316 6.719 1.00 0.00 C ATOM 757 CG PHE A 74 0.942 -7.753 6.925 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.246 -9.024 7.384 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.987 -6.875 6.661 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.566 -9.411 7.570 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.298 -7.258 6.842 1.00 0.00 C ATOM 762 CZ PHE A 74 3.587 -8.527 7.295 1.00 0.00 C ATOM 0 H PHE A 74 -0.580 -9.573 4.731 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.098 -7.142 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.541 -6.237 6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.101 -7.774 7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.449 -9.720 7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.768 -5.878 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.793 -10.404 7.930 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.098 -6.565 6.629 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.614 -8.829 7.435 1.00 0.00 H new ATOM 772 N ALA A 75 -0.338 -5.879 3.909 1.00 0.00 N ATOM 773 CA ALA A 75 0.477 -5.316 2.881 1.00 0.00 C ATOM 774 C ALA A 75 0.789 -3.874 3.193 1.00 0.00 C ATOM 775 O ALA A 75 0.192 -3.273 4.098 1.00 0.00 O ATOM 776 CB ALA A 75 -0.187 -5.454 1.530 1.00 0.00 C ATOM 0 H ALA A 75 -0.941 -5.211 4.390 1.00 0.00 H new ATOM 0 HA ALA A 75 1.417 -5.867 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.453 -5.018 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.349 -6.509 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.145 -4.935 1.541 1.00 0.00 H new ATOM 782 N TYR A 76 1.700 -3.336 2.451 1.00 0.00 N ATOM 783 CA TYR A 76 2.171 -1.993 2.619 1.00 0.00 C ATOM 784 C TYR A 76 2.055 -1.244 1.317 1.00 0.00 C ATOM 785 O TYR A 76 2.377 -1.790 0.275 1.00 0.00 O ATOM 786 CB TYR A 76 3.642 -2.053 3.067 1.00 0.00 C ATOM 787 CG TYR A 76 4.486 -0.852 2.702 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.435 0.328 3.417 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.362 -0.930 1.634 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.246 1.390 3.072 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.160 0.115 1.281 1.00 0.00 C ATOM 792 CZ TYR A 76 6.109 1.271 1.996 1.00 0.00 C ATOM 793 OH TYR A 76 6.937 2.304 1.656 1.00 0.00 O ATOM 0 H TYR A 76 2.155 -3.832 1.685 1.00 0.00 H new ATOM 0 HA TYR A 76 1.574 -1.473 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.669 -2.178 4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.100 -2.942 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.756 0.421 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.414 -1.846 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.208 2.309 3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.830 0.027 0.438 1.00 0.00 H new ATOM 0 HH TYR A 76 6.800 3.051 2.276 1.00 0.00 H new ATOM 803 N LEU A 77 1.609 -0.018 1.377 1.00 0.00 N ATOM 804 CA LEU A 77 1.570 0.824 0.216 1.00 0.00 C ATOM 805 C LEU A 77 1.872 2.241 0.647 1.00 0.00 C ATOM 806 O LEU A 77 1.474 2.661 1.734 1.00 0.00 O ATOM 807 CB LEU A 77 0.225 0.702 -0.571 1.00 0.00 C ATOM 808 CG LEU A 77 0.167 1.433 -1.943 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.843 0.788 -2.861 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.227 2.873 -1.768 1.00 0.00 C ATOM 0 H LEU A 77 1.264 0.422 2.230 1.00 0.00 H new ATOM 0 HA LEU A 77 2.330 0.497 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.019 -0.355 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.577 1.088 0.058 1.00 0.00 H new ATOM 0 HG LEU A 77 1.164 1.365 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.862 1.320 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.567 -0.252 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.831 0.830 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.260 3.362 -2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.210 2.927 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.504 3.376 -1.134 1.00 0.00 H new ATOM 822 N LYS A 78 2.623 2.938 -0.152 1.00 0.00 N ATOM 823 CA LYS A 78 2.971 4.301 0.127 1.00 0.00 C ATOM 824 C LYS A 78 2.570 5.168 -1.043 1.00 0.00 C ATOM 825 O LYS A 78 2.631 4.736 -2.221 1.00 0.00 O ATOM 826 CB LYS A 78 4.459 4.485 0.417 1.00 0.00 C ATOM 827 CG LYS A 78 5.349 4.202 -0.752 1.00 0.00 C ATOM 828 CD LYS A 78 6.755 4.729 -0.544 1.00 0.00 C ATOM 829 CE LYS A 78 6.785 6.248 -0.441 1.00 0.00 C ATOM 830 NZ LYS A 78 8.162 6.756 -0.434 1.00 0.00 N ATOM 0 H LYS A 78 3.014 2.576 -1.021 1.00 0.00 H new ATOM 0 HA LYS A 78 2.432 4.597 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.629 5.509 0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.741 3.830 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.388 3.126 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.923 4.653 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.174 4.296 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.388 4.409 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.239 6.682 -1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.275 6.563 0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.149 7.793 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.674 6.360 0.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.640 6.475 -1.314 1.00 0.00 H new ATOM 844 N TYR A 79 2.154 6.346 -0.747 1.00 0.00 N ATOM 845 CA TYR A 79 1.716 7.268 -1.753 1.00 0.00 C ATOM 846 C TYR A 79 2.730 8.337 -1.984 1.00 0.00 C ATOM 847 O TYR A 79 3.647 8.527 -1.183 1.00 0.00 O ATOM 848 CB TYR A 79 0.403 7.914 -1.370 1.00 0.00 C ATOM 849 CG TYR A 79 -0.765 6.992 -1.376 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.998 6.138 -0.325 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.651 6.993 -2.431 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.077 5.315 -0.316 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.733 6.170 -2.436 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.944 5.334 -1.379 1.00 0.00 C ATOM 855 OH TYR A 79 -4.019 4.532 -1.373 1.00 0.00 O ATOM 0 H TYR A 79 2.104 6.708 0.205 1.00 0.00 H new ATOM 0 HA TYR A 79 1.581 6.694 -2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.503 8.347 -0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.204 8.737 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.311 6.121 0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.484 7.657 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.251 4.652 0.519 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.420 6.178 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.877 3.800 -0.737 1.00 0.00 H new ATOM 865 N GLU A 80 2.563 9.025 -3.091 1.00 0.00 N ATOM 866 CA GLU A 80 3.383 10.158 -3.427 1.00 0.00 C ATOM 867 C GLU A 80 3.010 11.322 -2.507 1.00 0.00 C ATOM 868 O GLU A 80 3.835 12.207 -2.228 1.00 0.00 O ATOM 869 CB GLU A 80 3.152 10.569 -4.883 1.00 0.00 C ATOM 870 CG GLU A 80 4.080 11.671 -5.361 1.00 0.00 C ATOM 871 CD GLU A 80 3.705 12.203 -6.709 1.00 0.00 C ATOM 872 OE1 GLU A 80 4.114 11.624 -7.728 1.00 0.00 O ATOM 873 OE2 GLU A 80 3.002 13.229 -6.779 1.00 0.00 O ATOM 0 H GLU A 80 1.848 8.809 -3.786 1.00 0.00 H new ATOM 0 HA GLU A 80 4.433 9.895 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.280 9.696 -5.522 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.120 10.900 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.070 12.487 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.101 11.290 -5.397 1.00 0.00 H new ATOM 880 N ASP A 81 1.768 11.322 -2.038 1.00 0.00 N ATOM 881 CA ASP A 81 1.307 12.378 -1.176 1.00 0.00 C ATOM 882 C ASP A 81 0.588 11.800 0.039 1.00 0.00 C ATOM 883 O ASP A 81 -0.168 10.832 -0.070 1.00 0.00 O ATOM 884 CB ASP A 81 0.381 13.336 -1.920 1.00 0.00 C ATOM 885 CG ASP A 81 0.225 14.639 -1.184 1.00 0.00 C ATOM 886 OD1 ASP A 81 -0.302 14.651 -0.076 1.00 0.00 O ATOM 887 OD2 ASP A 81 0.650 15.690 -1.719 1.00 0.00 O ATOM 0 H ASP A 81 1.074 10.603 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 81 2.181 12.937 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.778 13.526 -2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.596 12.871 -2.049 1.00 0.00 H new ATOM 892 N GLN A 82 0.835 12.395 1.174 1.00 0.00 N ATOM 893 CA GLN A 82 0.268 11.990 2.452 1.00 0.00 C ATOM 894 C GLN A 82 -1.244 12.266 2.579 1.00 0.00 C ATOM 895 O GLN A 82 -1.909 11.691 3.434 1.00 0.00 O ATOM 896 CB GLN A 82 1.070 12.602 3.575 1.00 0.00 C ATOM 897 CG GLN A 82 2.498 12.120 3.541 1.00 0.00 C ATOM 898 CD GLN A 82 3.405 12.842 4.477 1.00 0.00 C ATOM 899 OE1 GLN A 82 3.209 14.020 4.784 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.406 12.156 4.936 1.00 0.00 N ATOM 0 H GLN A 82 1.455 13.202 1.248 1.00 0.00 H new ATOM 0 HA GLN A 82 0.343 10.905 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.047 13.689 3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.618 12.344 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.517 11.057 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.882 12.225 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.529 11.183 4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.070 12.589 5.578 1.00 0.00 H new ATOM 909 N ARG A 83 -1.776 13.172 1.771 1.00 0.00 N ATOM 910 CA ARG A 83 -3.208 13.418 1.732 1.00 0.00 C ATOM 911 C ARG A 83 -3.941 12.146 1.268 1.00 0.00 C ATOM 912 O ARG A 83 -5.060 11.862 1.659 1.00 0.00 O ATOM 913 CB ARG A 83 -3.540 14.597 0.810 1.00 0.00 C ATOM 914 CG ARG A 83 -2.719 15.869 1.061 1.00 0.00 C ATOM 915 CD ARG A 83 -2.618 16.200 2.532 1.00 0.00 C ATOM 916 NE ARG A 83 -3.922 16.303 3.132 1.00 0.00 N ATOM 917 CZ ARG A 83 -4.172 16.325 4.444 1.00 0.00 C ATOM 918 NH1 ARG A 83 -3.177 16.221 5.318 1.00 0.00 N ATOM 919 NH2 ARG A 83 -5.420 16.460 4.878 1.00 0.00 N ATOM 0 H ARG A 83 -1.233 13.751 1.131 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.543 13.677 2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.390 14.284 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.597 14.838 0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.718 15.741 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.176 16.705 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.040 15.430 3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.080 17.139 2.660 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.722 16.364 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.217 16.124 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.373 16.238 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.186 16.547 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.613 16.477 5.879 1.00 0.00 H new ATOM 933 N SER A 84 -3.301 11.437 0.397 1.00 0.00 N ATOM 934 CA SER A 84 -3.797 10.206 -0.157 1.00 0.00 C ATOM 935 C SER A 84 -3.849 9.051 0.859 1.00 0.00 C ATOM 936 O SER A 84 -4.775 8.231 0.811 1.00 0.00 O ATOM 937 CB SER A 84 -2.996 9.845 -1.382 1.00 0.00 C ATOM 938 OG SER A 84 -3.098 10.859 -2.359 1.00 0.00 O ATOM 0 H SER A 84 -2.385 11.703 0.034 1.00 0.00 H new ATOM 0 HA SER A 84 -4.836 10.371 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.951 9.699 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.354 8.900 -1.792 1.00 0.00 H new ATOM 0 HG SER A 84 -2.509 10.647 -3.113 1.00 0.00 H new ATOM 944 N THR A 85 -2.861 8.969 1.764 1.00 0.00 N ATOM 945 CA THR A 85 -2.818 7.862 2.715 1.00 0.00 C ATOM 946 C THR A 85 -4.069 7.868 3.599 1.00 0.00 C ATOM 947 O THR A 85 -4.731 6.845 3.765 1.00 0.00 O ATOM 948 CB THR A 85 -1.530 7.897 3.593 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.435 9.121 4.314 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.296 7.744 2.737 1.00 0.00 C ATOM 0 H THR A 85 -2.100 9.642 1.852 1.00 0.00 H new ATOM 0 HA THR A 85 -2.794 6.937 2.139 1.00 0.00 H new ATOM 0 HB THR A 85 -1.596 7.067 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.587 9.873 3.704 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.591 7.771 3.370 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.336 6.792 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.251 8.559 2.014 1.00 0.00 H new ATOM 958 N ILE A 86 -4.421 9.048 4.080 1.00 0.00 N ATOM 959 CA ILE A 86 -5.613 9.249 4.889 1.00 0.00 C ATOM 960 C ILE A 86 -6.878 8.961 4.100 1.00 0.00 C ATOM 961 O ILE A 86 -7.802 8.333 4.627 1.00 0.00 O ATOM 962 CB ILE A 86 -5.651 10.645 5.567 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.301 11.739 4.575 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.724 10.690 6.757 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.079 13.078 5.194 1.00 0.00 C ATOM 0 H ILE A 86 -3.884 9.900 3.919 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.565 8.523 5.701 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.668 10.819 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.401 11.448 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.103 11.819 3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.768 11.678 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.030 9.938 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.704 10.486 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.834 13.802 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.985 13.394 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.256 13.018 5.906 1.00 0.00 H new ATOM 977 N LEU A 87 -6.885 9.363 2.824 1.00 0.00 N ATOM 978 CA LEU A 87 -8.030 9.114 1.924 1.00 0.00 C ATOM 979 C LEU A 87 -8.316 7.643 1.800 1.00 0.00 C ATOM 980 O LEU A 87 -9.471 7.207 1.884 1.00 0.00 O ATOM 981 CB LEU A 87 -7.730 9.632 0.508 1.00 0.00 C ATOM 982 CG LEU A 87 -7.831 11.117 0.281 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.372 11.470 -1.133 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.263 11.507 0.452 1.00 0.00 C ATOM 0 H LEU A 87 -6.112 9.863 2.386 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.886 9.633 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.721 9.318 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.412 9.138 -0.184 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.196 11.648 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.451 12.547 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.336 11.160 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.002 10.956 -1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.369 12.580 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.875 10.971 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.591 11.255 1.461 1.00 0.00 H new ATOM 996 N ALA A 88 -7.273 6.885 1.643 1.00 0.00 N ATOM 997 CA ALA A 88 -7.401 5.470 1.481 1.00 0.00 C ATOM 998 C ALA A 88 -7.820 4.801 2.775 1.00 0.00 C ATOM 999 O ALA A 88 -8.687 3.948 2.772 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.124 4.892 0.917 1.00 0.00 C ATOM 0 H ALA A 88 -6.313 7.229 1.624 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.197 5.270 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.234 3.814 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.917 5.345 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.299 5.100 1.598 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.251 5.238 3.883 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.575 4.668 5.191 1.00 0.00 C ATOM 1008 C VAL A 89 -9.078 4.776 5.513 1.00 0.00 C ATOM 1009 O VAL A 89 -9.700 3.795 5.876 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.736 5.317 6.332 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.202 4.824 7.689 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.265 4.996 6.156 1.00 0.00 C ATOM 0 H VAL A 89 -6.560 5.987 3.910 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.315 3.611 5.134 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.877 6.397 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.602 5.290 8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.250 5.086 7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.088 3.741 7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.693 5.457 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.123 3.916 6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.920 5.384 5.198 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.645 5.939 5.271 1.00 0.00 N ATOM 1023 CA ASP A 90 -11.063 6.244 5.620 1.00 0.00 C ATOM 1024 C ASP A 90 -12.006 5.292 4.951 1.00 0.00 C ATOM 1025 O ASP A 90 -12.942 4.770 5.559 1.00 0.00 O ATOM 1026 CB ASP A 90 -11.530 7.644 5.134 1.00 0.00 C ATOM 1027 CG ASP A 90 -10.821 8.838 5.695 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -10.624 8.919 6.923 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -10.514 9.760 4.916 1.00 0.00 O ATOM 0 H ASP A 90 -9.156 6.716 4.827 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.085 6.177 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.434 7.674 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.591 7.744 5.363 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.750 5.063 3.704 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.687 4.369 2.850 1.00 0.00 C ATOM 1036 C ASN A 91 -12.384 2.915 2.700 1.00 0.00 C ATOM 1037 O ASN A 91 -13.258 2.126 2.372 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.790 5.072 1.501 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.336 6.488 1.636 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -14.243 6.697 2.568 1.00 0.00 O flip ATOM 1041 ND2 ASN A 91 -12.957 7.393 0.896 1.00 0.00 N flip ATOM 0 H ASN A 91 -10.888 5.348 3.239 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.660 4.410 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.806 5.106 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.437 4.495 0.840 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.253 7.207 0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.346 8.331 0.996 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.186 2.537 2.970 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.822 1.156 2.803 1.00 0.00 C ATOM 1050 C LEU A 92 -10.949 0.420 4.088 1.00 0.00 C ATOM 1051 O LEU A 92 -11.242 -0.773 4.100 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.424 1.034 2.258 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.262 1.260 0.781 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.827 1.599 0.491 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.641 -0.004 0.037 1.00 0.00 C ATOM 0 H LEU A 92 -10.441 3.148 3.304 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.508 0.709 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.788 1.746 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.051 0.038 2.494 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.906 2.079 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.701 1.764 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.550 2.503 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.187 0.776 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.525 0.156 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.993 -0.821 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.678 -0.258 0.256 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.730 1.113 5.181 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.834 0.478 6.468 1.00 0.00 C ATOM 1069 C ASN A 93 -12.285 0.081 6.709 1.00 0.00 C ATOM 1070 O ASN A 93 -13.188 0.923 6.653 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.367 1.442 7.538 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.286 0.830 8.908 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.038 -0.370 9.066 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -10.460 1.632 9.896 1.00 0.00 N ATOM 0 H ASN A 93 -10.482 2.102 5.203 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.210 -0.415 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.385 1.828 7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.047 2.293 7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.395 1.284 10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.663 2.617 9.724 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.508 -1.176 6.977 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.847 -1.665 7.196 1.00 0.00 C ATOM 1083 C GLY A 94 -14.550 -2.082 5.904 1.00 0.00 C ATOM 1084 O GLY A 94 -15.693 -2.546 5.939 1.00 0.00 O ATOM 0 H GLY A 94 -11.779 -1.885 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.810 -2.517 7.874 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.435 -0.891 7.689 1.00 0.00 H new ATOM 1088 N PHE A 95 -13.878 -1.926 4.771 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.456 -2.286 3.480 1.00 0.00 C ATOM 1090 C PHE A 95 -14.113 -3.731 3.174 1.00 0.00 C ATOM 1091 O PHE A 95 -12.984 -4.160 3.386 1.00 0.00 O ATOM 1092 CB PHE A 95 -13.939 -1.348 2.370 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.481 -1.637 0.989 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.790 -1.337 0.667 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -13.682 -2.211 0.016 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.287 -1.601 -0.594 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.182 -2.473 -1.242 1.00 0.00 C ATOM 1098 CZ PHE A 95 -15.483 -2.166 -1.544 1.00 0.00 C ATOM 0 H PHE A 95 -12.930 -1.552 4.718 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.540 -2.175 3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.191 -0.321 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.851 -1.412 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.433 -0.890 1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.655 -2.457 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.313 -1.361 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.547 -2.921 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.872 -2.370 -2.531 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.073 -4.477 2.704 1.00 0.00 N ATOM 1109 CA LYS A 96 -14.869 -5.878 2.459 1.00 0.00 C ATOM 1110 C LYS A 96 -14.504 -6.139 1.010 1.00 0.00 C ATOM 1111 O LYS A 96 -15.232 -5.746 0.080 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.096 -6.742 2.871 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.459 -6.753 4.368 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.025 -5.417 4.852 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.345 -5.437 6.338 1.00 0.00 C ATOM 1116 NZ LYS A 96 -17.841 -4.126 6.817 1.00 0.00 N ATOM 0 H LYS A 96 -16.009 -4.137 2.482 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.032 -6.179 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -16.963 -6.390 2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.910 -7.769 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.190 -7.540 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.571 -6.998 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.306 -4.624 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.929 -5.182 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.095 -6.203 6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.451 -5.713 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.967 -4.158 7.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.153 -3.385 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.753 -3.913 6.364 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.372 -6.769 0.823 1.00 0.00 N ATOM 1131 CA ILE A 97 -12.924 -7.205 -0.473 1.00 0.00 C ATOM 1132 C ILE A 97 -12.621 -8.689 -0.341 1.00 0.00 C ATOM 1133 O ILE A 97 -12.093 -9.116 0.690 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.611 -6.457 -0.910 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -11.829 -4.943 -0.960 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.121 -6.949 -2.260 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.626 -4.145 -1.433 1.00 0.00 C ATOM 0 H ILE A 97 -12.727 -6.996 1.579 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.687 -6.996 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.850 -6.677 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.670 -4.732 -1.620 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.110 -4.597 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.212 -6.413 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.910 -8.017 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.889 -6.771 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -10.872 -3.083 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.786 -4.321 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.355 -4.458 -2.441 1.00 0.00 H new ATOM 1149 N GLY A 98 -12.948 -9.466 -1.359 1.00 0.00 N ATOM 1150 CA GLY A 98 -12.676 -10.899 -1.359 1.00 0.00 C ATOM 1151 C GLY A 98 -13.290 -11.651 -0.178 1.00 0.00 C ATOM 1152 O GLY A 98 -12.811 -12.730 0.194 1.00 0.00 O ATOM 0 H GLY A 98 -13.407 -9.128 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.054 -11.330 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.597 -11.053 -1.353 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.319 -11.083 0.421 1.00 0.00 N ATOM 1157 CA GLY A 99 -14.967 -11.722 1.536 1.00 0.00 C ATOM 1158 C GLY A 99 -14.304 -11.428 2.877 1.00 0.00 C ATOM 1159 O GLY A 99 -14.574 -12.116 3.867 1.00 0.00 O ATOM 0 H GLY A 99 -14.718 -10.184 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.007 -11.398 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.975 -12.800 1.372 1.00 0.00 H new ATOM 1163 N ARG A 100 -13.436 -10.440 2.921 1.00 0.00 N ATOM 1164 CA ARG A 100 -12.790 -10.050 4.160 1.00 0.00 C ATOM 1165 C ARG A 100 -12.677 -8.538 4.258 1.00 0.00 C ATOM 1166 O ARG A 100 -12.532 -7.856 3.249 1.00 0.00 O ATOM 1167 CB ARG A 100 -11.435 -10.756 4.338 1.00 0.00 C ATOM 1168 CG ARG A 100 -10.514 -10.723 3.123 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.199 -11.409 3.435 1.00 0.00 C ATOM 1170 NE ARG A 100 -9.383 -12.799 3.899 1.00 0.00 N ATOM 1171 CZ ARG A 100 -8.498 -13.493 4.644 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -7.248 -13.056 4.799 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -8.843 -14.657 5.153 1.00 0.00 N ATOM 0 H ARG A 100 -13.159 -9.888 2.109 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.417 -10.379 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -10.914 -10.299 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -11.619 -11.797 4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -10.997 -11.216 2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.331 -9.690 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.571 -11.407 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.669 -10.841 4.200 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.248 -13.272 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -6.952 -12.188 4.352 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.588 -13.589 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.777 -15.031 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.177 -15.185 5.717 1.00 0.00 H new ATOM 1187 N ALA A 101 -12.773 -8.024 5.459 1.00 0.00 N ATOM 1188 CA ALA A 101 -12.781 -6.598 5.685 1.00 0.00 C ATOM 1189 C ALA A 101 -11.389 -6.053 5.854 1.00 0.00 C ATOM 1190 O ALA A 101 -10.674 -6.430 6.784 1.00 0.00 O ATOM 1191 CB ALA A 101 -13.619 -6.265 6.895 1.00 0.00 C ATOM 0 H ALA A 101 -12.848 -8.582 6.309 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.218 -6.127 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.616 -5.187 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.642 -6.606 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.205 -6.762 7.772 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.025 -5.151 4.982 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.738 -4.521 5.007 1.00 0.00 C ATOM 1199 C LEU A 102 -9.544 -3.678 6.218 1.00 0.00 C ATOM 1200 O LEU A 102 -10.454 -2.981 6.674 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.486 -3.684 3.762 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.911 -4.415 2.569 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.670 -3.444 1.432 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.615 -5.070 2.981 1.00 0.00 C ATOM 0 H LEU A 102 -11.626 -4.830 4.223 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.014 -5.335 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.428 -3.226 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.807 -2.873 4.026 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.613 -5.175 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.256 -3.980 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.613 -2.978 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.968 -2.675 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.189 -5.601 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.914 -4.308 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.805 -5.775 3.790 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.387 -3.768 6.755 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.025 -2.995 7.880 1.00 0.00 C ATOM 1218 C LYS A 103 -6.923 -2.047 7.472 1.00 0.00 C ATOM 1219 O LYS A 103 -5.873 -2.475 7.092 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.596 -3.926 9.030 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.011 -3.249 10.266 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.002 -2.340 10.969 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.371 -1.752 12.220 1.00 0.00 C ATOM 1224 NZ LYS A 103 -8.278 -0.834 12.930 1.00 0.00 N ATOM 0 H LYS A 103 -7.652 -4.391 6.420 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.869 -2.407 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.463 -4.511 9.338 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.858 -4.629 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.669 -4.013 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.136 -2.668 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.313 -1.539 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.899 -2.901 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.079 -2.560 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.460 -1.219 11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.801 -0.460 13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.537 -0.047 12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.137 -1.346 13.215 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.168 -0.773 7.512 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.133 0.162 7.123 1.00 0.00 C ATOM 1240 C ILE A 104 -5.814 1.019 8.306 1.00 0.00 C ATOM 1241 O ILE A 104 -6.724 1.551 8.953 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.544 1.104 5.969 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.468 0.414 4.972 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.288 1.585 5.240 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.864 -0.756 4.223 1.00 0.00 C ATOM 0 H ILE A 104 -8.052 -0.354 7.802 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.286 -0.431 6.777 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.085 1.946 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.352 0.064 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.806 1.153 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.573 2.250 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.645 2.121 5.938 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.750 0.727 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.605 -1.173 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.998 -0.416 3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.553 -1.522 4.934 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.568 1.133 8.614 1.00 0.00 N ATOM 1258 CA ASP A 105 -4.136 1.923 9.731 1.00 0.00 C ATOM 1259 C ASP A 105 -2.832 2.572 9.342 1.00 0.00 C ATOM 1260 O ASP A 105 -2.124 2.041 8.501 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.954 1.008 10.948 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.915 1.754 12.267 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.957 2.344 12.665 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.888 1.720 12.963 1.00 0.00 O ATOM 0 H ASP A 105 -3.811 0.682 8.100 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.866 2.690 9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.769 0.284 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.029 0.443 10.832 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.523 3.709 9.886 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.266 4.358 9.555 1.00 0.00 C ATOM 1271 C HIS A 106 -0.149 3.725 10.329 1.00 0.00 C ATOM 1272 O HIS A 106 -0.308 3.387 11.503 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.282 5.870 9.806 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.177 6.652 8.901 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -1.755 7.265 7.733 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.481 6.956 9.028 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -2.794 7.911 7.210 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -3.871 7.754 7.961 1.00 0.00 N ATOM 0 H HIS A 106 -3.107 4.211 10.554 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.112 4.219 8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.588 6.048 10.837 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.266 6.251 9.704 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -0.813 7.228 7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.123 6.631 9.833 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -2.762 8.486 6.296 1.00 0.00 H new ATOM 1286 N THR A 107 0.951 3.557 9.698 1.00 0.00 N ATOM 1287 CA THR A 107 2.076 2.945 10.304 1.00 0.00 C ATOM 1288 C THR A 107 3.289 3.568 9.659 1.00 0.00 C ATOM 1289 O THR A 107 3.149 4.211 8.616 1.00 0.00 O ATOM 1290 CB THR A 107 2.070 1.392 10.048 1.00 0.00 C ATOM 1291 OG1 THR A 107 3.060 0.761 10.856 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.367 1.076 8.577 1.00 0.00 C ATOM 0 H THR A 107 1.100 3.844 8.731 1.00 0.00 H new ATOM 0 HA THR A 107 2.069 3.095 11.384 1.00 0.00 H new ATOM 0 HB THR A 107 1.079 1.017 10.303 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.049 -0.205 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.357 -0.004 8.428 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.608 1.537 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.348 1.470 8.311 1.00 0.00 H new ATOM 1300 N PHE A 108 4.439 3.440 10.251 1.00 0.00 N ATOM 1301 CA PHE A 108 5.605 3.900 9.576 1.00 0.00 C ATOM 1302 C PHE A 108 6.375 2.668 9.189 1.00 0.00 C ATOM 1303 O PHE A 108 6.920 1.964 10.043 1.00 0.00 O ATOM 1304 CB PHE A 108 6.446 4.798 10.499 1.00 0.00 C ATOM 1305 CG PHE A 108 5.672 5.945 11.103 1.00 0.00 C ATOM 1306 CD1 PHE A 108 5.251 7.007 10.321 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.356 5.949 12.452 1.00 0.00 C ATOM 1308 CE1 PHE A 108 4.533 8.052 10.870 1.00 0.00 C ATOM 1309 CE2 PHE A 108 4.638 6.991 13.007 1.00 0.00 C ATOM 1310 CZ PHE A 108 4.227 8.044 12.214 1.00 0.00 C ATOM 0 H PHE A 108 4.590 3.032 11.174 1.00 0.00 H new ATOM 0 HA PHE A 108 5.348 4.498 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.862 4.190 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.288 5.198 9.933 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.487 7.019 9.267 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.675 5.128 13.077 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.212 8.874 10.247 1.00 0.00 H new ATOM 0 HE2 PHE A 108 4.398 6.982 14.060 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.667 8.860 12.646 1.00 0.00 H new ATOM 1320 N TYR A 109 6.399 2.390 7.931 1.00 0.00 N ATOM 1321 CA TYR A 109 7.056 1.221 7.432 1.00 0.00 C ATOM 1322 C TYR A 109 8.322 1.613 6.713 1.00 0.00 C ATOM 1323 O TYR A 109 8.369 2.661 6.077 1.00 0.00 O ATOM 1324 CB TYR A 109 6.101 0.435 6.521 1.00 0.00 C ATOM 1325 CG TYR A 109 6.624 -0.903 6.010 1.00 0.00 C ATOM 1326 CD1 TYR A 109 6.399 -2.079 6.712 1.00 0.00 C ATOM 1327 CD2 TYR A 109 7.314 -0.983 4.815 1.00 0.00 C ATOM 1328 CE1 TYR A 109 6.852 -3.297 6.230 1.00 0.00 C ATOM 1329 CE2 TYR A 109 7.773 -2.179 4.330 1.00 0.00 C ATOM 1330 CZ TYR A 109 7.542 -3.342 5.037 1.00 0.00 C ATOM 1331 OH TYR A 109 7.979 -4.561 4.537 1.00 0.00 O ATOM 0 H TYR A 109 5.963 2.967 7.212 1.00 0.00 H new ATOM 0 HA TYR A 109 7.333 0.571 8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.173 0.257 7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.852 1.059 5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.862 -2.044 7.649 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.496 -0.081 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.666 -4.205 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.315 -2.212 3.396 1.00 0.00 H new ATOM 0 HH TYR A 109 8.447 -4.418 3.688 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.203 15.152 -4.750 1.00 0.00 N ATOM 1498 CA ILE B 226 -6.073 14.458 -5.309 1.00 0.00 C ATOM 1499 C ILE B 226 -6.513 13.624 -6.504 1.00 0.00 C ATOM 1500 O ILE B 226 -7.533 12.912 -6.436 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.308 13.588 -4.252 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.661 14.476 -3.182 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.263 12.694 -4.893 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.539 14.785 -2.016 1.00 0.00 C ATOM 0 HA ILE B 226 -5.361 15.211 -5.646 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.047 12.942 -3.779 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -3.758 13.986 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.351 15.413 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.760 12.111 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.746 12.020 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.532 13.308 -5.418 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -4.999 15.417 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.432 15.307 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -5.829 13.857 -1.523 1.00 0.00 H new ATOM 1516 N MET B 227 -5.782 13.745 -7.594 1.00 0.00 N ATOM 1517 CA MET B 227 -6.088 13.032 -8.821 1.00 0.00 C ATOM 1518 C MET B 227 -5.656 11.574 -8.727 1.00 0.00 C ATOM 1519 O MET B 227 -4.585 11.278 -8.183 1.00 0.00 O ATOM 1520 CB MET B 227 -5.418 13.694 -10.030 1.00 0.00 C ATOM 1521 CG MET B 227 -5.928 15.089 -10.353 1.00 0.00 C ATOM 1522 SD MET B 227 -5.193 15.769 -11.862 1.00 0.00 S ATOM 1523 CE MET B 227 -3.460 15.840 -11.409 1.00 0.00 C ATOM 0 H MET B 227 -4.957 14.342 -7.655 1.00 0.00 H new ATOM 0 HA MET B 227 -7.169 13.071 -8.958 1.00 0.00 H new ATOM 0 HB2 MET B 227 -4.344 13.747 -9.850 1.00 0.00 H new ATOM 0 HB3 MET B 227 -5.563 13.057 -10.903 1.00 0.00 H new ATOM 0 HG2 MET B 227 -7.012 15.059 -10.463 1.00 0.00 H new ATOM 0 HG3 MET B 227 -5.711 15.754 -9.517 1.00 0.00 H new ATOM 0 HE1 MET B 227 -2.928 16.487 -12.106 1.00 0.00 H new ATOM 0 HE2 MET B 227 -3.364 16.238 -10.399 1.00 0.00 H new ATOM 0 HE3 MET B 227 -3.033 14.838 -11.446 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.478 10.651 -9.262 1.00 0.00 N ATOM 1534 CA PRO B 228 -6.209 9.205 -9.215 1.00 0.00 C ATOM 1535 C PRO B 228 -4.918 8.801 -9.940 1.00 0.00 C ATOM 1536 O PRO B 228 -4.555 9.378 -10.979 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.430 8.586 -9.909 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.992 9.684 -10.738 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.745 10.939 -9.963 1.00 0.00 C ATOM 0 HA PRO B 228 -6.062 8.866 -8.190 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -7.145 7.732 -10.524 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -8.158 8.227 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -7.509 9.725 -11.714 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -9.057 9.536 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -7.657 11.807 -10.617 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.555 11.148 -9.264 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.248 7.810 -9.380 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.990 7.322 -9.907 1.00 0.00 C ATOM 1549 C GLY B 229 -3.119 6.606 -11.242 1.00 0.00 C ATOM 1550 O GLY B 229 -4.229 6.299 -11.707 1.00 0.00 O ATOM 0 H GLY B 229 -4.564 7.320 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.304 8.162 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.543 6.642 -9.182 1.00 0.00 H new ATOM 1554 N SER B 230 -1.988 6.291 -11.831 1.00 0.00 N ATOM 1555 CA SER B 230 -1.925 5.680 -13.140 1.00 0.00 C ATOM 1556 C SER B 230 -2.266 4.188 -13.079 1.00 0.00 C ATOM 1557 O SER B 230 -2.513 3.558 -14.111 1.00 0.00 O ATOM 1558 CB SER B 230 -0.534 5.902 -13.759 1.00 0.00 C ATOM 1559 OG SER B 230 -0.471 5.459 -15.111 1.00 0.00 O ATOM 0 H SER B 230 -1.074 6.454 -11.409 1.00 0.00 H new ATOM 0 HA SER B 230 -2.672 6.157 -13.775 1.00 0.00 H new ATOM 0 HB2 SER B 230 -0.283 6.962 -13.713 1.00 0.00 H new ATOM 0 HB3 SER B 230 0.213 5.371 -13.169 1.00 0.00 H new ATOM 0 HG SER B 230 -1.081 4.703 -15.236 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.279 3.621 -11.883 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.597 2.197 -11.727 1.00 0.00 C ATOM 1567 C ARG B 231 -4.105 1.993 -11.657 1.00 0.00 C ATOM 1568 O ARG B 231 -4.583 0.861 -11.585 1.00 0.00 O ATOM 1569 CB ARG B 231 -1.961 1.630 -10.457 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.471 1.844 -10.350 1.00 0.00 C ATOM 1571 CD ARG B 231 0.299 1.106 -11.420 1.00 0.00 C ATOM 1572 NE ARG B 231 1.735 1.362 -11.312 1.00 0.00 N ATOM 1573 CZ ARG B 231 2.687 0.673 -11.944 1.00 0.00 C ATOM 1574 NH1 ARG B 231 2.361 -0.331 -12.747 1.00 0.00 N ATOM 1575 NH2 ARG B 231 3.961 1.005 -11.782 1.00 0.00 N ATOM 0 H ARG B 231 -2.077 4.111 -11.012 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.195 1.673 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.443 2.084 -9.591 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.165 0.560 -10.411 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.254 2.910 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.130 1.514 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG B 231 0.111 0.036 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG B 231 -0.055 1.414 -12.404 1.00 0.00 H new ATOM 0 HE ARG B 231 2.032 2.127 -10.706 1.00 0.00 H new ATOM 0 HH11 ARG B 231 1.381 -0.578 -12.883 1.00 0.00 H new ATOM 0 HH12 ARG B 231 3.091 -0.856 -13.229 1.00 0.00 H new ATOM 0 HH21 ARG B 231 4.211 1.786 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG B 231 4.690 0.480 -12.264 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.842 3.086 -11.665 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.270 3.032 -11.562 1.00 0.00 C ATOM 1591 C TRP B 232 -6.915 2.670 -12.871 1.00 0.00 C ATOM 1592 O TRP B 232 -6.580 3.197 -13.945 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.860 4.362 -11.040 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.353 4.332 -10.761 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.025 3.423 -10.001 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.344 5.263 -11.219 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.358 3.733 -9.940 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.583 4.855 -10.676 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.309 6.397 -12.024 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.766 5.542 -10.914 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.486 7.079 -12.261 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.699 6.651 -11.709 1.00 0.00 C ATOM 0 H TRP B 232 -4.461 4.029 -11.743 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.492 2.247 -10.839 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.339 4.639 -10.123 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.657 5.145 -11.771 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.569 2.574 -9.513 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.066 3.208 -9.427 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.379 6.737 -12.455 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.702 5.213 -10.488 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.470 7.960 -12.885 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.600 7.209 -11.916 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.784 1.754 -12.761 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.707 1.380 -13.765 1.00 0.00 C ATOM 1615 C ASP B 233 -9.985 1.581 -13.073 1.00 0.00 C ATOM 1616 O ASP B 233 -10.002 1.330 -11.904 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.575 -0.095 -14.155 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.638 -0.526 -15.153 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -9.505 -0.208 -16.357 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -10.643 -1.196 -14.752 1.00 0.00 O ATOM 0 H ASP B 233 -7.883 1.201 -11.910 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.575 1.941 -14.690 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.587 -0.268 -14.582 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.648 -0.713 -13.260 1.00 0.00 H new ATOM 1625 N GLY B 234 -10.961 2.148 -13.759 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.346 2.465 -13.303 1.00 0.00 C ATOM 1627 C GLY B 234 -12.997 1.445 -12.386 1.00 0.00 C ATOM 1628 O GLY B 234 -13.977 0.783 -12.726 1.00 0.00 O ATOM 0 H GLY B 234 -10.817 2.430 -14.729 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.326 3.426 -12.788 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -12.977 2.588 -14.183 1.00 0.00 H new ATOM 1714 N GLY B 240 -19.060 2.711 2.136 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.468 2.555 2.327 1.00 0.00 C ATOM 1716 C GLY B 240 -21.129 3.838 2.706 1.00 0.00 C ATOM 1717 O GLY B 240 -22.240 4.088 2.321 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.918 2.173 1.410 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.648 1.812 3.104 1.00 0.00 H new ATOM 1721 N PHE B 241 -20.452 4.647 3.456 1.00 0.00 N ATOM 1722 CA PHE B 241 -21.006 5.920 3.884 1.00 0.00 C ATOM 1723 C PHE B 241 -20.983 6.981 2.772 1.00 0.00 C ATOM 1724 O PHE B 241 -21.911 7.778 2.646 1.00 0.00 O ATOM 1725 CB PHE B 241 -20.351 6.413 5.195 1.00 0.00 C ATOM 1726 CG PHE B 241 -18.835 6.408 5.206 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -18.116 7.499 4.763 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -18.137 5.307 5.677 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -16.737 7.498 4.784 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -16.760 5.301 5.702 1.00 0.00 C ATOM 1731 CZ PHE B 241 -16.059 6.395 5.255 1.00 0.00 C ATOM 0 H PHE B 241 -19.508 4.460 3.794 1.00 0.00 H new ATOM 0 HA PHE B 241 -22.060 5.749 4.103 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -20.696 7.428 5.394 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -20.706 5.789 6.015 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -18.641 8.367 4.394 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -18.680 4.442 6.029 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -16.190 8.360 4.432 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -16.231 4.436 6.073 1.00 0.00 H new ATOM 0 HZ PHE B 241 -14.979 6.390 5.273 1.00 0.00 H new ATOM 1741 N GLU B 242 -19.956 6.939 1.940 1.00 0.00 N ATOM 1742 CA GLU B 242 -19.746 7.933 0.884 1.00 0.00 C ATOM 1743 C GLU B 242 -20.851 7.869 -0.135 1.00 0.00 C ATOM 1744 O GLU B 242 -21.321 8.901 -0.626 1.00 0.00 O ATOM 1745 CB GLU B 242 -18.406 7.740 0.161 1.00 0.00 C ATOM 1746 CG GLU B 242 -17.251 7.364 1.055 1.00 0.00 C ATOM 1747 CD GLU B 242 -17.122 5.869 1.223 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -17.937 5.253 1.940 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -16.210 5.289 0.630 1.00 0.00 O ATOM 0 H GLU B 242 -19.238 6.215 1.972 1.00 0.00 H new ATOM 0 HA GLU B 242 -19.741 8.906 1.376 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -18.527 6.966 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -18.156 8.663 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -16.326 7.762 0.637 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -17.385 7.827 2.032 1.00 0.00 H new ATOM 1756 N GLU B 243 -21.273 6.653 -0.441 1.00 0.00 N ATOM 1757 CA GLU B 243 -22.322 6.437 -1.418 1.00 0.00 C ATOM 1758 C GLU B 243 -23.615 7.053 -0.945 1.00 0.00 C ATOM 1759 O GLU B 243 -24.361 7.566 -1.728 1.00 0.00 O ATOM 1760 CB GLU B 243 -22.544 4.956 -1.747 1.00 0.00 C ATOM 1761 CG GLU B 243 -22.923 4.108 -0.557 1.00 0.00 C ATOM 1762 CD GLU B 243 -23.477 2.770 -0.942 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -22.726 1.906 -1.407 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -24.701 2.569 -0.813 1.00 0.00 O ATOM 0 H GLU B 243 -20.902 5.799 -0.024 1.00 0.00 H new ATOM 0 HA GLU B 243 -21.991 6.922 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -23.328 4.876 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -21.633 4.553 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -22.045 3.964 0.073 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -23.661 4.642 0.042 1.00 0.00 H new ATOM 1771 N LYS B 244 -23.850 7.014 0.357 1.00 0.00 N ATOM 1772 CA LYS B 244 -25.055 7.545 0.938 1.00 0.00 C ATOM 1773 C LYS B 244 -25.084 9.041 0.748 1.00 0.00 C ATOM 1774 O LYS B 244 -26.097 9.609 0.356 1.00 0.00 O ATOM 1775 CB LYS B 244 -25.087 7.192 2.413 1.00 0.00 C ATOM 1776 CG LYS B 244 -24.789 5.729 2.666 1.00 0.00 C ATOM 1777 CD LYS B 244 -25.780 4.823 1.983 1.00 0.00 C ATOM 1778 CE LYS B 244 -25.501 3.367 2.276 1.00 0.00 C ATOM 1779 NZ LYS B 244 -26.287 2.474 1.401 1.00 0.00 N ATOM 0 H LYS B 244 -23.204 6.611 1.035 1.00 0.00 H new ATOM 0 HA LYS B 244 -25.931 7.116 0.451 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -24.360 7.805 2.946 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -26.068 7.435 2.820 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -23.784 5.498 2.313 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -24.802 5.537 3.739 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -26.789 5.073 2.312 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -25.745 4.991 0.907 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -24.438 3.166 2.141 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -25.736 3.154 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -26.229 1.499 1.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -27.280 2.782 1.393 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -25.906 2.511 0.434 1.00 0.00 H new ATOM 1793 N TRP B 245 -23.936 9.657 0.954 1.00 0.00 N ATOM 1794 CA TRP B 245 -23.780 11.091 0.800 1.00 0.00 C ATOM 1795 C TRP B 245 -24.002 11.477 -0.659 1.00 0.00 C ATOM 1796 O TRP B 245 -24.674 12.458 -0.968 1.00 0.00 O ATOM 1797 CB TRP B 245 -22.385 11.537 1.273 1.00 0.00 C ATOM 1798 CG TRP B 245 -22.069 11.163 2.703 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -22.957 10.855 3.687 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -20.771 11.080 3.309 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -22.298 10.570 4.846 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -20.960 10.707 4.648 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -19.471 11.277 2.849 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -19.907 10.535 5.530 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -18.423 11.109 3.726 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -18.646 10.741 5.051 1.00 0.00 C ATOM 0 H TRP B 245 -23.082 9.175 1.234 1.00 0.00 H new ATOM 0 HA TRP B 245 -24.522 11.597 1.417 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -21.633 11.096 0.619 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -22.305 12.619 1.166 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -24.030 10.839 3.567 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -22.740 10.297 5.724 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -19.288 11.557 1.822 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -20.077 10.249 6.557 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -17.412 11.265 3.381 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -17.802 10.616 5.714 1.00 0.00 H new ATOM 1817 N PHE B 246 -23.479 10.664 -1.535 1.00 0.00 N ATOM 1818 CA PHE B 246 -23.616 10.832 -2.969 1.00 0.00 C ATOM 1819 C PHE B 246 -25.052 10.509 -3.445 1.00 0.00 C ATOM 1820 O PHE B 246 -25.548 11.085 -4.403 1.00 0.00 O ATOM 1821 CB PHE B 246 -22.549 9.954 -3.664 1.00 0.00 C ATOM 1822 CG PHE B 246 -22.879 9.494 -5.053 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -22.599 10.270 -6.162 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -23.480 8.262 -5.234 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -22.916 9.818 -7.429 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -23.797 7.808 -6.486 1.00 0.00 C ATOM 1827 CZ PHE B 246 -23.516 8.584 -7.590 1.00 0.00 C ATOM 0 H PHE B 246 -22.931 9.844 -1.273 1.00 0.00 H new ATOM 0 HA PHE B 246 -23.448 11.874 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -21.614 10.514 -3.700 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -22.371 9.075 -3.044 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -22.130 11.235 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -23.703 7.648 -4.374 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -22.695 10.429 -8.292 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -24.267 6.843 -6.609 1.00 0.00 H new ATOM 0 HZ PHE B 246 -23.764 8.228 -8.579 1.00 0.00 H new ATOM 1837 N ALA B 247 -25.702 9.606 -2.784 1.00 0.00 N ATOM 1838 CA ALA B 247 -27.043 9.230 -3.145 1.00 0.00 C ATOM 1839 C ALA B 247 -28.044 10.301 -2.739 1.00 0.00 C ATOM 1840 O ALA B 247 -28.963 10.608 -3.486 1.00 0.00 O ATOM 1841 CB ALA B 247 -27.396 7.887 -2.536 1.00 0.00 C ATOM 0 H ALA B 247 -25.325 9.106 -1.979 1.00 0.00 H new ATOM 0 HA ALA B 247 -27.092 9.136 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -28.413 7.616 -2.818 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -26.704 7.128 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -27.325 7.950 -1.450 1.00 0.00 H new ATOM 1847 N LYS B 248 -27.839 10.912 -1.582 1.00 0.00 N ATOM 1848 CA LYS B 248 -28.781 11.908 -1.064 1.00 0.00 C ATOM 1849 C LYS B 248 -28.542 13.268 -1.671 1.00 0.00 C ATOM 1850 O LYS B 248 -29.386 14.163 -1.582 1.00 0.00 O ATOM 1851 CB LYS B 248 -28.724 11.973 0.471 1.00 0.00 C ATOM 1852 CG LYS B 248 -27.361 12.336 1.066 1.00 0.00 C ATOM 1853 CD LYS B 248 -27.123 13.837 1.179 1.00 0.00 C ATOM 1854 CE LYS B 248 -25.730 14.141 1.720 1.00 0.00 C ATOM 1855 NZ LYS B 248 -25.506 13.598 3.086 1.00 0.00 N ATOM 0 H LYS B 248 -27.033 10.740 -0.981 1.00 0.00 H new ATOM 0 HA LYS B 248 -29.783 11.592 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -29.457 12.704 0.814 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -29.029 11.005 0.870 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -27.275 11.888 2.056 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -26.577 11.898 0.449 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -27.244 14.301 0.200 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -27.874 14.277 1.835 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -24.984 13.725 1.043 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -25.580 15.220 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -24.591 13.935 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -26.267 13.920 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -25.503 12.559 3.050 1.00 0.00 H new ATOM 1869 N GLN B 249 -27.402 13.421 -2.311 1.00 0.00 N ATOM 1870 CA GLN B 249 -27.042 14.688 -2.914 1.00 0.00 C ATOM 1871 C GLN B 249 -27.780 14.883 -4.228 1.00 0.00 C ATOM 1872 O GLN B 249 -27.626 15.904 -4.882 1.00 0.00 O ATOM 1873 CB GLN B 249 -25.533 14.800 -3.128 1.00 0.00 C ATOM 1874 CG GLN B 249 -24.979 13.954 -4.246 1.00 0.00 C ATOM 1875 CD GLN B 249 -23.488 14.121 -4.450 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -22.773 14.412 -3.402 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -22.983 13.978 -5.563 1.00 0.00 N flip ATOM 0 H GLN B 249 -26.708 12.683 -2.427 1.00 0.00 H new ATOM 0 HA GLN B 249 -27.339 15.477 -2.224 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -25.287 15.843 -3.327 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -25.029 14.525 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -25.194 12.906 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -25.495 14.207 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -23.571 13.750 -6.364 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -21.976 14.087 -5.684 1.00 0.00 H new ATOM 1886 N ASN B 250 -28.581 13.880 -4.595 1.00 0.00 N ATOM 1887 CA ASN B 250 -29.365 13.889 -5.842 1.00 0.00 C ATOM 1888 C ASN B 250 -30.214 15.160 -5.950 1.00 0.00 C ATOM 1889 O ASN B 250 -30.345 15.738 -7.026 1.00 0.00 O ATOM 1890 CB ASN B 250 -30.242 12.626 -5.990 1.00 0.00 C ATOM 1891 CG ASN B 250 -31.422 12.576 -5.041 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -32.522 13.005 -5.366 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -31.205 12.057 -3.885 1.00 0.00 N ATOM 0 H ASN B 250 -28.708 13.035 -4.038 1.00 0.00 H new ATOM 0 HA ASN B 250 -28.651 13.882 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -30.611 12.571 -7.014 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -29.621 11.745 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -31.962 11.993 -3.205 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -30.276 11.710 -3.648 1.00 0.00 H new ATOM 1900 N GLU B 251 -30.772 15.585 -4.830 1.00 0.00 N ATOM 1901 CA GLU B 251 -31.488 16.823 -4.748 1.00 0.00 C ATOM 1902 C GLU B 251 -30.996 17.595 -3.543 1.00 0.00 C ATOM 1903 O GLU B 251 -31.257 17.233 -2.391 1.00 0.00 O ATOM 1904 CB GLU B 251 -33.004 16.630 -4.728 1.00 0.00 C ATOM 1905 CG GLU B 251 -33.573 16.122 -6.054 1.00 0.00 C ATOM 1906 CD GLU B 251 -35.065 15.915 -6.031 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -35.800 16.818 -5.603 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -35.551 14.853 -6.476 1.00 0.00 O ATOM 0 H GLU B 251 -30.734 15.069 -3.951 1.00 0.00 H new ATOM 0 HA GLU B 251 -31.288 17.400 -5.651 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -33.262 15.925 -3.938 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -33.480 17.578 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -33.326 16.833 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -33.088 15.180 -6.311 1.00 0.00 H new ATOM 1915 N ILE B 252 -30.272 18.643 -3.819 1.00 0.00 N ATOM 1916 CA ILE B 252 -29.592 19.421 -2.793 1.00 0.00 C ATOM 1917 C ILE B 252 -30.472 20.497 -2.197 1.00 0.00 C ATOM 1918 O ILE B 252 -30.353 20.830 -1.026 1.00 0.00 O ATOM 1919 CB ILE B 252 -28.290 20.074 -3.330 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -28.560 20.900 -4.607 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -27.226 19.016 -3.581 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -27.363 21.670 -5.122 1.00 0.00 C ATOM 0 H ILE B 252 -30.129 18.993 -4.766 1.00 0.00 H new ATOM 0 HA ILE B 252 -29.341 18.707 -2.009 1.00 0.00 H new ATOM 0 HB ILE B 252 -27.919 20.760 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -28.909 20.229 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -29.369 21.603 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -26.321 19.492 -3.957 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -27.002 18.497 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -27.592 18.300 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -27.643 22.221 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -27.025 22.370 -4.358 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -26.558 20.975 -5.359 1.00 0.00 H new ATOM 1934 N ASN B 253 -31.359 21.018 -2.995 1.00 0.00 N ATOM 1935 CA ASN B 253 -32.198 22.139 -2.573 1.00 0.00 C ATOM 1936 C ASN B 253 -33.500 21.651 -1.983 1.00 0.00 C ATOM 1937 O ASN B 253 -34.160 22.351 -1.231 1.00 0.00 O ATOM 1938 CB ASN B 253 -32.486 23.056 -3.769 1.00 0.00 C ATOM 1939 CG ASN B 253 -33.374 22.409 -4.824 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -34.599 22.541 -4.801 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -32.773 21.698 -5.743 1.00 0.00 N ATOM 0 H ASN B 253 -31.532 20.694 -3.947 1.00 0.00 H new ATOM 0 HA ASN B 253 -31.659 22.696 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -32.964 23.968 -3.412 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -31.542 23.349 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -33.320 21.234 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -31.757 21.608 -5.735 1.00 0.00 H new ATOM 1948 N GLU B 254 -33.843 20.444 -2.305 1.00 0.00 N ATOM 1949 CA GLU B 254 -35.103 19.889 -1.897 1.00 0.00 C ATOM 1950 C GLU B 254 -34.986 19.286 -0.487 1.00 0.00 C ATOM 1951 O GLU B 254 -33.884 18.994 -0.012 1.00 0.00 O ATOM 1952 CB GLU B 254 -35.576 18.877 -2.939 1.00 0.00 C ATOM 1953 CG GLU B 254 -37.073 18.936 -3.253 1.00 0.00 C ATOM 1954 CD GLU B 254 -37.948 18.489 -2.121 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -38.177 17.281 -1.994 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -38.372 19.340 -1.306 1.00 0.00 O ATOM 0 H GLU B 254 -33.262 19.813 -2.857 1.00 0.00 H new ATOM 0 HA GLU B 254 -35.858 20.673 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -35.018 19.038 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -35.331 17.874 -2.589 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -37.338 19.958 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -37.276 18.314 -4.124 1.00 0.00 H new