USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 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 57 GLN : amide:sc= 1.04 X(o=-1.3,f=-0.83) USER MOD Set 1.2: A 62 CYS SG : rot 110:sc= -2.29 USER MOD Set 2.1: A 30 CYS SG : rot -164:sc= -0.99 USER MOD Set 2.2: A 79 CYS SG : rot -99:sc= -1.07 USER MOD Set 3.1: A 25 THR OG1 : rot -96:sc= 0.983 USER MOD Set 3.2: A 67 CYS SG : rot 180:sc= 0.794 USER MOD Set 4.1: A 18 GLN : amide:sc= -1.16 K(o=-1.2,f=0.7) USER MOD Set 4.2: A 20 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 10 HIS : no HE2:sc= -8.74! C(o=-8.7!,f=-9.3!) USER MOD Single : A 17 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-0.99) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 164:sc= -1.03 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.196 (180deg=-0.42) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.89) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 65 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.04) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.1 USER MOD Single : A 81 CYS SG : rot -143:sc= 0.151 USER MOD Single : A 86 THR OG1 : rot -99:sc= -0.301 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 0.782 20.286 -0.091 1.00 0.00 N ATOM 67 CA PRO A 8 0.563 19.138 0.793 1.00 0.00 C ATOM 68 C PRO A 8 1.860 18.410 1.130 1.00 0.00 C ATOM 69 O PRO A 8 2.924 18.747 0.613 1.00 0.00 O ATOM 70 CB PRO A 8 -0.362 18.232 -0.024 1.00 0.00 C ATOM 71 CG PRO A 8 -0.086 18.591 -1.444 1.00 0.00 C ATOM 72 CD PRO A 8 0.245 20.058 -1.443 1.00 0.00 C ATOM 0 HA PRO A 8 0.147 19.438 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.154 17.179 0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.408 18.401 0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.742 18.004 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.952 18.387 -2.074 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.976 20.305 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.637 20.669 -1.633 1.00 0.00 H new ATOM 80 N ALA A 9 1.762 17.409 1.999 1.00 0.00 N ATOM 81 CA ALA A 9 2.928 16.632 2.403 1.00 0.00 C ATOM 82 C ALA A 9 3.505 15.855 1.224 1.00 0.00 C ATOM 83 O ALA A 9 2.804 15.074 0.579 1.00 0.00 O ATOM 84 CB ALA A 9 2.562 15.682 3.534 1.00 0.00 C ATOM 0 H ALA A 9 0.888 17.117 2.436 1.00 0.00 H new ATOM 0 HA ALA A 9 3.691 17.325 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.441 15.108 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.203 16.255 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.779 15.001 3.199 1.00 0.00 H new ATOM 90 N HIS A 10 4.786 16.076 0.947 1.00 0.00 N ATOM 91 CA HIS A 10 5.458 15.396 -0.156 1.00 0.00 C ATOM 92 C HIS A 10 5.995 14.039 0.289 1.00 0.00 C ATOM 93 O HIS A 10 6.357 13.854 1.451 1.00 0.00 O ATOM 94 CB HIS A 10 6.600 16.259 -0.694 1.00 0.00 C ATOM 95 CG HIS A 10 7.720 16.446 0.282 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.815 17.538 1.118 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.797 15.671 0.553 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.903 17.427 1.861 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.516 16.303 1.537 1.00 0.00 N ATOM 0 H HIS A 10 5.380 16.720 1.470 1.00 0.00 H new ATOM 0 HA HIS A 10 4.729 15.235 -0.950 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.993 15.802 -1.602 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.206 17.236 -0.974 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.150 18.311 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.044 14.731 0.083 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.234 18.135 2.606 1.00 0.00 H new ATOM 108 N PHE A 11 6.042 13.093 -0.643 1.00 0.00 N ATOM 109 CA PHE A 11 6.534 11.752 -0.346 1.00 0.00 C ATOM 110 C PHE A 11 8.056 11.741 -0.247 1.00 0.00 C ATOM 111 O PHE A 11 8.755 11.972 -1.235 1.00 0.00 O ATOM 112 CB PHE A 11 6.074 10.768 -1.423 1.00 0.00 C ATOM 113 CG PHE A 11 4.617 10.415 -1.330 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.179 9.454 -0.433 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.685 11.045 -2.140 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.838 9.128 -0.345 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.344 10.723 -2.056 1.00 0.00 C ATOM 118 CZ PHE A 11 1.920 9.762 -1.158 1.00 0.00 C ATOM 0 H PHE A 11 5.746 13.230 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 11 6.123 11.445 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.274 11.197 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.666 9.856 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.893 8.954 0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.011 11.796 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.509 8.378 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.628 11.222 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.872 9.507 -1.092 1.00 0.00 H new ATOM 128 N ILE A 12 8.563 11.470 0.951 1.00 0.00 N ATOM 129 CA ILE A 12 10.002 11.428 1.179 1.00 0.00 C ATOM 130 C ILE A 12 10.521 9.994 1.151 1.00 0.00 C ATOM 131 O ILE A 12 11.691 9.752 0.857 1.00 0.00 O ATOM 132 CB ILE A 12 10.378 12.071 2.527 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.732 11.301 3.682 1.00 0.00 C ATOM 134 CG2 ILE A 12 9.952 13.531 2.554 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.157 11.793 5.048 1.00 0.00 C ATOM 0 H ILE A 12 7.999 11.276 1.778 1.00 0.00 H new ATOM 0 HA ILE A 12 10.466 11.996 0.373 1.00 0.00 H new ATOM 0 HB ILE A 12 11.461 12.026 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.648 11.378 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.985 10.245 3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.224 13.972 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.453 14.071 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.873 13.598 2.418 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.661 11.202 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.237 11.690 5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.880 12.841 5.160 1.00 0.00 H new ATOM 147 N GLY A 13 9.641 9.045 1.456 1.00 0.00 N ATOM 148 CA GLY A 13 10.028 7.647 1.458 1.00 0.00 C ATOM 149 C GLY A 13 9.155 6.802 0.551 1.00 0.00 C ATOM 150 O GLY A 13 8.455 5.902 1.015 1.00 0.00 O ATOM 0 H GLY A 13 8.667 9.220 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.067 7.560 1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.972 7.259 2.475 1.00 0.00 H new ATOM 154 N ARG A 14 9.194 7.094 -0.745 1.00 0.00 N ATOM 155 CA ARG A 14 8.398 6.356 -1.718 1.00 0.00 C ATOM 156 C ARG A 14 8.286 4.885 -1.326 1.00 0.00 C ATOM 157 O ARG A 14 9.207 4.316 -0.739 1.00 0.00 O ATOM 158 CB ARG A 14 9.017 6.477 -3.112 1.00 0.00 C ATOM 159 CG ARG A 14 8.964 7.886 -3.681 1.00 0.00 C ATOM 160 CD ARG A 14 9.026 7.876 -5.201 1.00 0.00 C ATOM 161 NE ARG A 14 9.661 9.079 -5.731 1.00 0.00 N ATOM 162 CZ ARG A 14 10.182 9.158 -6.950 1.00 0.00 C ATOM 163 NH1 ARG A 14 10.143 8.110 -7.761 1.00 0.00 N ATOM 164 NH2 ARG A 14 10.744 10.288 -7.361 1.00 0.00 N ATOM 0 H ARG A 14 9.768 7.836 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 14 7.397 6.788 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.056 6.150 -3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.498 5.800 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.046 8.376 -3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.795 8.471 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.578 6.998 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.017 7.791 -5.604 1.00 0.00 H new ATOM 0 HE ARG A 14 9.707 9.904 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.712 7.240 -7.449 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.544 8.174 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.776 11.097 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.144 10.348 -8.297 1.00 0.00 H new ATOM 178 N LEU A 15 7.152 4.276 -1.655 1.00 0.00 N ATOM 179 CA LEU A 15 6.919 2.872 -1.337 1.00 0.00 C ATOM 180 C LEU A 15 8.074 2.003 -1.825 1.00 0.00 C ATOM 181 O LEU A 15 9.056 2.508 -2.370 1.00 0.00 O ATOM 182 CB LEU A 15 5.608 2.397 -1.967 1.00 0.00 C ATOM 183 CG LEU A 15 4.339 3.104 -1.491 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.296 3.132 -2.597 1.00 0.00 C ATOM 185 CD2 LEU A 15 3.784 2.424 -0.248 1.00 0.00 C ATOM 0 H LEU A 15 6.380 4.732 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 15 6.850 2.778 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.683 2.517 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.500 1.330 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 15 4.594 4.132 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.400 3.639 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.695 3.665 -3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.044 2.112 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.881 2.941 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.545 1.385 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.528 2.458 0.548 1.00 0.00 H new ATOM 197 N ARG A 16 7.949 0.695 -1.627 1.00 0.00 N ATOM 198 CA ARG A 16 8.983 -0.243 -2.047 1.00 0.00 C ATOM 199 C ARG A 16 8.370 -1.581 -2.451 1.00 0.00 C ATOM 200 O ARG A 16 7.773 -2.276 -1.629 1.00 0.00 O ATOM 201 CB ARG A 16 9.998 -0.454 -0.922 1.00 0.00 C ATOM 202 CG ARG A 16 9.400 -1.074 0.330 1.00 0.00 C ATOM 203 CD ARG A 16 10.194 -0.699 1.571 1.00 0.00 C ATOM 204 NE ARG A 16 9.704 -1.387 2.763 1.00 0.00 N ATOM 205 CZ ARG A 16 9.900 -2.680 2.997 1.00 0.00 C ATOM 206 NH1 ARG A 16 10.572 -3.420 2.127 1.00 0.00 N ATOM 207 NH2 ARG A 16 9.424 -3.234 4.105 1.00 0.00 N ATOM 0 H ARG A 16 7.142 0.261 -1.179 1.00 0.00 H new ATOM 0 HA ARG A 16 9.493 0.180 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.802 -1.094 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.446 0.506 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.368 -0.743 0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.378 -2.159 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.245 -0.945 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.138 0.379 1.725 1.00 0.00 H new ATOM 0 HE ARG A 16 9.183 -0.845 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.940 -2.997 1.275 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.721 -4.412 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.907 -2.667 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.575 -4.227 4.284 1.00 0.00 H new ATOM 221 N HIS A 17 8.523 -1.936 -3.723 1.00 0.00 N ATOM 222 CA HIS A 17 7.985 -3.190 -4.237 1.00 0.00 C ATOM 223 C HIS A 17 8.064 -4.288 -3.181 1.00 0.00 C ATOM 224 O HIS A 17 9.137 -4.574 -2.649 1.00 0.00 O ATOM 225 CB HIS A 17 8.745 -3.619 -5.493 1.00 0.00 C ATOM 226 CG HIS A 17 10.232 -3.633 -5.318 1.00 0.00 C ATOM 227 ND1 HIS A 17 10.920 -4.712 -4.804 1.00 0.00 N ATOM 228 CD2 HIS A 17 11.164 -2.691 -5.594 1.00 0.00 C ATOM 229 CE1 HIS A 17 12.210 -4.433 -4.770 1.00 0.00 C ATOM 230 NE2 HIS A 17 12.386 -3.212 -5.244 1.00 0.00 N ATOM 0 H HIS A 17 9.015 -1.373 -4.416 1.00 0.00 H new ATOM 0 HA HIS A 17 6.937 -3.030 -4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.413 -4.615 -5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.490 -2.944 -6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.981 -1.712 -6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.989 -5.091 -4.415 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.283 -2.734 -5.335 1.00 0.00 H new ATOM 239 N GLN A 18 6.922 -4.899 -2.882 1.00 0.00 N ATOM 240 CA GLN A 18 6.863 -5.964 -1.888 1.00 0.00 C ATOM 241 C GLN A 18 6.180 -7.203 -2.457 1.00 0.00 C ATOM 242 O GLN A 18 5.098 -7.114 -3.037 1.00 0.00 O ATOM 243 CB GLN A 18 6.120 -5.485 -0.640 1.00 0.00 C ATOM 244 CG GLN A 18 4.621 -5.738 -0.689 1.00 0.00 C ATOM 245 CD GLN A 18 3.921 -5.350 0.598 1.00 0.00 C ATOM 246 OE1 GLN A 18 3.025 -6.053 1.067 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.326 -4.226 1.177 1.00 0.00 N ATOM 0 H GLN A 18 6.026 -4.675 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 18 7.885 -6.228 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.536 -5.985 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.296 -4.417 -0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.189 -5.176 -1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.441 -6.794 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.072 -3.674 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.891 -3.914 2.045 1.00 0.00 H new ATOM 256 N GLU A 19 6.819 -8.356 -2.287 1.00 0.00 N ATOM 257 CA GLU A 19 6.272 -9.612 -2.786 1.00 0.00 C ATOM 258 C GLU A 19 5.500 -10.342 -1.690 1.00 0.00 C ATOM 259 O GLU A 19 6.090 -11.000 -0.833 1.00 0.00 O ATOM 260 CB GLU A 19 7.393 -10.507 -3.317 1.00 0.00 C ATOM 261 CG GLU A 19 6.945 -11.925 -3.628 1.00 0.00 C ATOM 262 CD GLU A 19 8.084 -12.807 -4.102 1.00 0.00 C ATOM 263 OE1 GLU A 19 8.388 -12.784 -5.312 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.671 -13.519 -3.261 1.00 0.00 O ATOM 0 H GLU A 19 7.715 -8.446 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 19 5.585 -9.382 -3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.806 -10.059 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.197 -10.542 -2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.497 -12.364 -2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.169 -11.897 -4.393 1.00 0.00 H new ATOM 271 N SER A 20 4.176 -10.221 -1.726 1.00 0.00 N ATOM 272 CA SER A 20 3.323 -10.865 -0.734 1.00 0.00 C ATOM 273 C SER A 20 2.932 -12.270 -1.184 1.00 0.00 C ATOM 274 O SER A 20 3.164 -12.653 -2.331 1.00 0.00 O ATOM 275 CB SER A 20 2.066 -10.028 -0.491 1.00 0.00 C ATOM 276 OG SER A 20 2.399 -8.682 -0.196 1.00 0.00 O ATOM 0 H SER A 20 3.672 -9.683 -2.431 1.00 0.00 H new ATOM 0 HA SER A 20 3.885 -10.943 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.426 -10.063 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.495 -10.454 0.334 1.00 0.00 H new ATOM 0 HG SER A 20 1.579 -8.167 -0.046 1.00 0.00 H new ATOM 282 N ILE A 21 2.339 -13.033 -0.272 1.00 0.00 N ATOM 283 CA ILE A 21 1.915 -14.394 -0.575 1.00 0.00 C ATOM 284 C ILE A 21 0.396 -14.490 -0.666 1.00 0.00 C ATOM 285 O ILE A 21 -0.322 -13.895 0.137 1.00 0.00 O ATOM 286 CB ILE A 21 2.418 -15.389 0.488 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.842 -15.844 0.160 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.482 -16.585 0.578 1.00 0.00 C ATOM 289 CD1 ILE A 21 3.896 -17.088 -0.699 1.00 0.00 C ATOM 0 H ILE A 21 2.141 -12.732 0.682 1.00 0.00 H new ATOM 0 HA ILE A 21 2.351 -14.653 -1.540 1.00 0.00 H new ATOM 0 HB ILE A 21 2.431 -14.888 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.364 -15.036 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.378 -16.031 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.850 -17.279 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.483 -16.246 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.441 -17.088 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.936 -17.352 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.403 -17.910 -0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.388 -16.899 -1.645 1.00 0.00 H new ATOM 301 N GLU A 22 -0.086 -15.243 -1.650 1.00 0.00 N ATOM 302 CA GLU A 22 -1.521 -15.416 -1.845 1.00 0.00 C ATOM 303 C GLU A 22 -2.201 -15.826 -0.542 1.00 0.00 C ATOM 304 O GLU A 22 -1.691 -16.664 0.200 1.00 0.00 O ATOM 305 CB GLU A 22 -1.787 -16.467 -2.925 1.00 0.00 C ATOM 306 CG GLU A 22 -3.214 -16.988 -2.928 1.00 0.00 C ATOM 307 CD GLU A 22 -3.369 -18.260 -3.739 1.00 0.00 C ATOM 308 OE1 GLU A 22 -3.617 -18.160 -4.959 1.00 0.00 O ATOM 309 OE2 GLU A 22 -3.242 -19.356 -3.153 1.00 0.00 O ATOM 0 H GLU A 22 0.495 -15.742 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.937 -14.461 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.564 -16.037 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.104 -17.304 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.531 -17.175 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.876 -16.222 -3.331 1.00 0.00 H new ATOM 316 N GLY A 23 -3.358 -15.228 -0.272 1.00 0.00 N ATOM 317 CA GLY A 23 -4.089 -15.543 0.941 1.00 0.00 C ATOM 318 C GLY A 23 -3.634 -14.712 2.125 1.00 0.00 C ATOM 319 O GLY A 23 -4.419 -14.426 3.029 1.00 0.00 O ATOM 0 H GLY A 23 -3.801 -14.532 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.153 -15.378 0.773 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.963 -16.600 1.173 1.00 0.00 H new ATOM 323 N ALA A 24 -2.363 -14.326 2.121 1.00 0.00 N ATOM 324 CA ALA A 24 -1.805 -13.523 3.202 1.00 0.00 C ATOM 325 C ALA A 24 -2.388 -12.114 3.197 1.00 0.00 C ATOM 326 O ALA A 24 -3.284 -11.804 2.412 1.00 0.00 O ATOM 327 CB ALA A 24 -0.288 -13.469 3.091 1.00 0.00 C ATOM 0 H ALA A 24 -1.700 -14.556 1.381 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.073 -13.995 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.115 -12.866 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.117 -14.479 3.152 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.009 -13.023 2.136 1.00 0.00 H new ATOM 333 N THR A 25 -1.874 -11.263 4.079 1.00 0.00 N ATOM 334 CA THR A 25 -2.344 -9.887 4.178 1.00 0.00 C ATOM 335 C THR A 25 -1.242 -8.901 3.808 1.00 0.00 C ATOM 336 O THR A 25 -0.233 -8.793 4.505 1.00 0.00 O ATOM 337 CB THR A 25 -2.850 -9.566 5.597 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.784 -10.565 6.021 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.510 -8.196 5.640 1.00 0.00 C ATOM 0 H THR A 25 -1.131 -11.503 4.736 1.00 0.00 H new ATOM 0 HA THR A 25 -3.170 -9.785 3.474 1.00 0.00 H new ATOM 0 HB THR A 25 -1.994 -9.560 6.271 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.697 -10.256 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.859 -7.992 6.652 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.788 -7.435 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.357 -8.178 4.954 1.00 0.00 H new ATOM 347 N ALA A 26 -1.442 -8.182 2.708 1.00 0.00 N ATOM 348 CA ALA A 26 -0.466 -7.202 2.248 1.00 0.00 C ATOM 349 C ALA A 26 -0.440 -5.982 3.162 1.00 0.00 C ATOM 350 O ALA A 26 -1.474 -5.368 3.426 1.00 0.00 O ATOM 351 CB ALA A 26 -0.770 -6.786 0.817 1.00 0.00 C ATOM 0 H ALA A 26 -2.271 -8.260 2.119 1.00 0.00 H new ATOM 0 HA ALA A 26 0.520 -7.666 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.033 -6.054 0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.729 -7.660 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.766 -6.345 0.770 1.00 0.00 H new ATOM 357 N THR A 27 0.749 -5.635 3.645 1.00 0.00 N ATOM 358 CA THR A 27 0.909 -4.489 4.531 1.00 0.00 C ATOM 359 C THR A 27 1.981 -3.537 4.012 1.00 0.00 C ATOM 360 O THR A 27 3.160 -3.675 4.340 1.00 0.00 O ATOM 361 CB THR A 27 1.280 -4.931 5.960 1.00 0.00 C ATOM 362 OG1 THR A 27 0.241 -5.752 6.504 1.00 0.00 O ATOM 363 CG2 THR A 27 1.503 -3.724 6.859 1.00 0.00 C ATOM 0 H THR A 27 1.615 -6.132 3.437 1.00 0.00 H new ATOM 0 HA THR A 27 -0.051 -3.973 4.555 1.00 0.00 H new ATOM 0 HB THR A 27 2.206 -5.503 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.485 -6.030 7.411 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.764 -4.061 7.862 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.314 -3.117 6.458 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.591 -3.129 6.902 1.00 0.00 H new ATOM 371 N LEU A 28 1.565 -2.572 3.200 1.00 0.00 N ATOM 372 CA LEU A 28 2.490 -1.595 2.635 1.00 0.00 C ATOM 373 C LEU A 28 2.813 -0.502 3.648 1.00 0.00 C ATOM 374 O LEU A 28 2.096 -0.322 4.633 1.00 0.00 O ATOM 375 CB LEU A 28 1.897 -0.975 1.369 1.00 0.00 C ATOM 376 CG LEU A 28 2.116 -1.756 0.073 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.958 -1.531 -0.887 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.433 -1.356 -0.575 1.00 0.00 C ATOM 0 H LEU A 28 0.593 -2.445 2.918 1.00 0.00 H new ATOM 0 HA LEU A 28 3.415 -2.112 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.824 -0.850 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.320 0.022 1.245 1.00 0.00 H new ATOM 0 HG LEU A 28 2.161 -2.818 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.131 -2.094 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.031 -1.868 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.882 -0.469 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.572 -1.922 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.417 -0.290 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.255 -1.569 0.109 1.00 0.00 H new ATOM 390 N ARG A 29 3.895 0.228 3.398 1.00 0.00 N ATOM 391 CA ARG A 29 4.313 1.305 4.288 1.00 0.00 C ATOM 392 C ARG A 29 5.067 2.385 3.518 1.00 0.00 C ATOM 393 O ARG A 29 5.942 2.086 2.705 1.00 0.00 O ATOM 394 CB ARG A 29 5.195 0.755 5.411 1.00 0.00 C ATOM 395 CG ARG A 29 5.404 1.733 6.555 1.00 0.00 C ATOM 396 CD ARG A 29 5.643 1.008 7.871 1.00 0.00 C ATOM 397 NE ARG A 29 6.363 1.840 8.831 1.00 0.00 N ATOM 398 CZ ARG A 29 7.675 2.042 8.789 1.00 0.00 C ATOM 399 NH1 ARG A 29 8.407 1.477 7.838 1.00 0.00 N ATOM 400 NH2 ARG A 29 8.259 2.812 9.698 1.00 0.00 N ATOM 0 H ARG A 29 4.498 0.093 2.587 1.00 0.00 H new ATOM 0 HA ARG A 29 3.418 1.750 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.744 -0.157 5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.165 0.480 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.255 2.377 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.531 2.379 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.686 0.707 8.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.210 0.096 7.685 1.00 0.00 H new ATOM 0 HE ARG A 29 5.829 2.291 9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.962 0.885 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.414 1.634 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.700 3.250 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.267 2.966 9.664 1.00 0.00 H new ATOM 414 N CYS A 30 4.721 3.641 3.778 1.00 0.00 N ATOM 415 CA CYS A 30 5.363 4.766 3.109 1.00 0.00 C ATOM 416 C CYS A 30 5.642 5.897 4.093 1.00 0.00 C ATOM 417 O CYS A 30 5.218 5.847 5.247 1.00 0.00 O ATOM 418 CB CYS A 30 4.485 5.274 1.964 1.00 0.00 C ATOM 419 SG CYS A 30 3.057 6.243 2.504 1.00 0.00 S ATOM 0 H CYS A 30 3.999 3.906 4.448 1.00 0.00 H new ATOM 0 HA CYS A 30 6.313 4.421 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.094 5.884 1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.133 4.421 1.384 1.00 0.00 H new ATOM 0 HG CYS A 30 2.204 6.339 1.528 1.00 0.00 H new ATOM 425 N GLU A 31 6.360 6.916 3.628 1.00 0.00 N ATOM 426 CA GLU A 31 6.697 8.058 4.469 1.00 0.00 C ATOM 427 C GLU A 31 6.312 9.368 3.788 1.00 0.00 C ATOM 428 O GLU A 31 6.425 9.503 2.569 1.00 0.00 O ATOM 429 CB GLU A 31 8.193 8.058 4.792 1.00 0.00 C ATOM 430 CG GLU A 31 8.526 8.683 6.136 1.00 0.00 C ATOM 431 CD GLU A 31 9.964 8.440 6.552 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.871 8.998 5.901 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.181 7.692 7.528 1.00 0.00 O ATOM 0 H GLU A 31 6.719 6.973 2.675 1.00 0.00 H new ATOM 0 HA GLU A 31 6.132 7.972 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.559 7.031 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.725 8.597 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.342 9.756 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.858 8.278 6.896 1.00 0.00 H new ATOM 440 N LEU A 32 5.858 10.330 4.583 1.00 0.00 N ATOM 441 CA LEU A 32 5.455 11.630 4.057 1.00 0.00 C ATOM 442 C LEU A 32 6.240 12.754 4.726 1.00 0.00 C ATOM 443 O LEU A 32 6.767 12.588 5.826 1.00 0.00 O ATOM 444 CB LEU A 32 3.955 11.845 4.267 1.00 0.00 C ATOM 445 CG LEU A 32 3.027 10.991 3.403 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.587 11.125 3.873 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.152 11.383 1.938 1.00 0.00 C ATOM 0 H LEU A 32 5.760 10.235 5.594 1.00 0.00 H new ATOM 0 HA LEU A 32 5.671 11.646 2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.724 11.651 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.729 12.895 4.080 1.00 0.00 H new ATOM 0 HG LEU A 32 3.324 9.947 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.941 10.510 3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.510 10.794 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.276 12.167 3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.484 10.765 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.881 12.432 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.180 11.233 1.608 1.00 0.00 H new ATOM 459 N SER A 33 6.312 13.899 4.054 1.00 0.00 N ATOM 460 CA SER A 33 7.034 15.051 4.583 1.00 0.00 C ATOM 461 C SER A 33 6.509 15.435 5.963 1.00 0.00 C ATOM 462 O SER A 33 7.210 16.067 6.753 1.00 0.00 O ATOM 463 CB SER A 33 6.909 16.240 3.628 1.00 0.00 C ATOM 464 OG SER A 33 5.640 16.860 3.750 1.00 0.00 O ATOM 0 H SER A 33 5.880 14.054 3.143 1.00 0.00 H new ATOM 0 HA SER A 33 8.085 14.778 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.694 16.966 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.056 15.903 2.602 1.00 0.00 H new ATOM 0 HG SER A 33 5.669 17.748 3.336 1.00 0.00 H new ATOM 470 N LYS A 34 5.270 15.047 6.246 1.00 0.00 N ATOM 471 CA LYS A 34 4.649 15.348 7.531 1.00 0.00 C ATOM 472 C LYS A 34 3.289 14.668 7.650 1.00 0.00 C ATOM 473 O LYS A 34 2.542 14.577 6.676 1.00 0.00 O ATOM 474 CB LYS A 34 4.491 16.861 7.702 1.00 0.00 C ATOM 475 CG LYS A 34 3.684 17.517 6.596 1.00 0.00 C ATOM 476 CD LYS A 34 3.199 18.898 7.004 1.00 0.00 C ATOM 477 CE LYS A 34 2.918 19.771 5.790 1.00 0.00 C ATOM 478 NZ LYS A 34 2.949 21.221 6.131 1.00 0.00 N ATOM 0 H LYS A 34 4.676 14.523 5.603 1.00 0.00 H new ATOM 0 HA LYS A 34 5.298 14.965 8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.010 17.062 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.479 17.319 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.295 17.596 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.829 16.889 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.294 18.804 7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.949 19.377 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.656 19.564 5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.942 19.516 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.753 21.783 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.228 21.424 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.888 21.471 6.501 1.00 0.00 H new ATOM 492 N ALA A 35 2.974 14.191 8.850 1.00 0.00 N ATOM 493 CA ALA A 35 1.703 13.522 9.097 1.00 0.00 C ATOM 494 C ALA A 35 0.581 14.158 8.283 1.00 0.00 C ATOM 495 O ALA A 35 0.192 15.299 8.530 1.00 0.00 O ATOM 496 CB ALA A 35 1.367 13.559 10.580 1.00 0.00 C ATOM 0 H ALA A 35 3.582 14.256 9.666 1.00 0.00 H new ATOM 0 HA ALA A 35 1.801 12.483 8.783 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.415 13.056 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.151 13.053 11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.294 14.595 10.911 1.00 0.00 H new ATOM 502 N ALA A 36 0.065 13.412 7.311 1.00 0.00 N ATOM 503 CA ALA A 36 -1.013 13.903 6.462 1.00 0.00 C ATOM 504 C ALA A 36 -1.818 12.748 5.876 1.00 0.00 C ATOM 505 O ALA A 36 -1.315 11.641 5.687 1.00 0.00 O ATOM 506 CB ALA A 36 -0.452 14.776 5.349 1.00 0.00 C ATOM 0 H ALA A 36 0.376 12.466 7.092 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.683 14.504 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.268 15.136 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.074 15.626 5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.241 14.192 4.743 1.00 0.00 H new ATOM 512 N PRO A 37 -3.101 13.010 5.581 1.00 0.00 N ATOM 513 CA PRO A 37 -4.003 12.005 5.012 1.00 0.00 C ATOM 514 C PRO A 37 -3.643 11.650 3.574 1.00 0.00 C ATOM 515 O PRO A 37 -3.305 12.523 2.774 1.00 0.00 O ATOM 516 CB PRO A 37 -5.373 12.686 5.068 1.00 0.00 C ATOM 517 CG PRO A 37 -5.072 14.145 5.049 1.00 0.00 C ATOM 518 CD PRO A 37 -3.767 14.308 5.780 1.00 0.00 C ATOM 0 HA PRO A 37 -3.958 11.062 5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.993 12.399 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.918 12.406 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.995 14.514 4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.865 14.714 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.177 15.129 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.923 14.522 6.837 1.00 0.00 H new ATOM 526 N VAL A 38 -3.718 10.363 3.250 1.00 0.00 N ATOM 527 CA VAL A 38 -3.402 9.893 1.907 1.00 0.00 C ATOM 528 C VAL A 38 -4.510 8.999 1.362 1.00 0.00 C ATOM 529 O VAL A 38 -5.529 8.787 2.019 1.00 0.00 O ATOM 530 CB VAL A 38 -2.073 9.115 1.883 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.930 9.994 2.369 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.179 7.852 2.725 1.00 0.00 C ATOM 0 H VAL A 38 -3.995 9.627 3.900 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.309 10.777 1.277 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.863 8.822 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.001 9.427 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.841 10.866 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.130 10.320 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.231 7.315 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.413 8.120 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.969 7.215 2.327 1.00 0.00 H new ATOM 542 N GLU A 39 -4.304 8.478 0.156 1.00 0.00 N ATOM 543 CA GLU A 39 -5.287 7.607 -0.477 1.00 0.00 C ATOM 544 C GLU A 39 -4.604 6.571 -1.366 1.00 0.00 C ATOM 545 O GLU A 39 -4.082 6.900 -2.431 1.00 0.00 O ATOM 546 CB GLU A 39 -6.275 8.433 -1.304 1.00 0.00 C ATOM 547 CG GLU A 39 -7.531 7.671 -1.690 1.00 0.00 C ATOM 548 CD GLU A 39 -8.579 7.679 -0.594 1.00 0.00 C ATOM 549 OE1 GLU A 39 -8.806 8.753 0.001 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.172 6.611 -0.332 1.00 0.00 O ATOM 0 H GLU A 39 -3.466 8.644 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.831 7.083 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.558 9.320 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.777 8.779 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.953 8.109 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.267 6.640 -1.928 1.00 0.00 H new ATOM 557 N TRP A 40 -4.613 5.321 -0.920 1.00 0.00 N ATOM 558 CA TRP A 40 -3.994 4.236 -1.674 1.00 0.00 C ATOM 559 C TRP A 40 -4.830 3.877 -2.897 1.00 0.00 C ATOM 560 O TRP A 40 -6.054 4.014 -2.886 1.00 0.00 O ATOM 561 CB TRP A 40 -3.815 3.005 -0.784 1.00 0.00 C ATOM 562 CG TRP A 40 -2.954 3.260 0.416 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.310 3.924 1.555 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.592 2.856 0.594 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.251 3.957 2.430 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.186 3.308 1.865 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.676 2.154 -0.195 1.00 0.00 C ATOM 568 CZ2 TRP A 40 0.095 3.081 2.361 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.595 1.930 0.298 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.971 2.392 1.567 1.00 0.00 C ATOM 0 H TRP A 40 -5.042 5.033 -0.041 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.015 4.575 -2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.794 2.659 -0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.375 2.200 -1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.281 4.359 1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.257 4.394 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.957 1.793 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.387 3.436 3.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.311 1.390 -0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.972 2.200 1.925 1.00 0.00 H new ATOM 581 N ARG A 41 -4.163 3.418 -3.951 1.00 0.00 N ATOM 582 CA ARG A 41 -4.846 3.041 -5.182 1.00 0.00 C ATOM 583 C ARG A 41 -4.244 1.767 -5.770 1.00 0.00 C ATOM 584 O ARG A 41 -3.049 1.710 -6.063 1.00 0.00 O ATOM 585 CB ARG A 41 -4.763 4.175 -6.205 1.00 0.00 C ATOM 586 CG ARG A 41 -5.647 5.365 -5.868 1.00 0.00 C ATOM 587 CD ARG A 41 -6.119 6.082 -7.123 1.00 0.00 C ATOM 588 NE ARG A 41 -7.078 7.141 -6.820 1.00 0.00 N ATOM 589 CZ ARG A 41 -7.712 7.846 -7.750 1.00 0.00 C ATOM 590 NH1 ARG A 41 -7.491 7.605 -9.035 1.00 0.00 N ATOM 591 NH2 ARG A 41 -8.570 8.795 -7.396 1.00 0.00 N ATOM 0 H ARG A 41 -3.150 3.298 -3.977 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.893 2.852 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.729 4.511 -6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.044 3.790 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.510 5.027 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.096 6.061 -5.235 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.260 6.508 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.576 5.362 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.271 7.351 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.833 6.877 -9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.979 8.148 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.743 8.984 -6.409 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.056 9.336 -8.111 1.00 0.00 H new ATOM 605 N LYS A 42 -5.078 0.747 -5.938 1.00 0.00 N ATOM 606 CA LYS A 42 -4.630 -0.525 -6.490 1.00 0.00 C ATOM 607 C LYS A 42 -4.956 -0.618 -7.978 1.00 0.00 C ATOM 608 O LYS A 42 -6.028 -1.085 -8.360 1.00 0.00 O ATOM 609 CB LYS A 42 -5.284 -1.689 -5.741 1.00 0.00 C ATOM 610 CG LYS A 42 -5.086 -3.035 -6.416 1.00 0.00 C ATOM 611 CD LYS A 42 -6.130 -4.043 -5.965 1.00 0.00 C ATOM 612 CE LYS A 42 -6.101 -5.297 -6.826 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.246 -6.201 -6.528 1.00 0.00 N ATOM 0 H LYS A 42 -6.069 0.777 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.548 -0.584 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.876 -1.735 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.352 -1.494 -5.645 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.141 -2.912 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.090 -3.415 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.953 -4.311 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.120 -3.590 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.125 -5.015 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.165 -5.830 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.351 -6.893 -7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.070 -6.701 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.118 -5.641 -6.445 1.00 0.00 H new ATOM 627 N GLY A 43 -4.023 -0.170 -8.813 1.00 0.00 N ATOM 628 CA GLY A 43 -4.230 -0.213 -10.248 1.00 0.00 C ATOM 629 C GLY A 43 -5.532 0.442 -10.666 1.00 0.00 C ATOM 630 O GLY A 43 -6.601 -0.159 -10.552 1.00 0.00 O ATOM 0 H GLY A 43 -3.128 0.222 -8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.399 0.286 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.225 -1.251 -10.582 1.00 0.00 H new ATOM 634 N ARG A 44 -5.443 1.676 -11.150 1.00 0.00 N ATOM 635 CA ARG A 44 -6.624 2.414 -11.583 1.00 0.00 C ATOM 636 C ARG A 44 -7.784 2.198 -10.616 1.00 0.00 C ATOM 637 O ARG A 44 -8.949 2.308 -10.997 1.00 0.00 O ATOM 638 CB ARG A 44 -7.033 1.981 -12.992 1.00 0.00 C ATOM 639 CG ARG A 44 -7.638 0.588 -13.050 1.00 0.00 C ATOM 640 CD ARG A 44 -8.517 0.413 -14.279 1.00 0.00 C ATOM 641 NE ARG A 44 -9.607 1.384 -14.315 1.00 0.00 N ATOM 642 CZ ARG A 44 -10.043 1.959 -15.431 1.00 0.00 C ATOM 643 NH1 ARG A 44 -9.484 1.660 -16.596 1.00 0.00 N ATOM 644 NH2 ARG A 44 -11.040 2.833 -15.382 1.00 0.00 N ATOM 0 H ARG A 44 -4.566 2.186 -11.252 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.375 3.475 -11.594 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.753 2.697 -13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.158 2.015 -13.642 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.841 -0.156 -13.062 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.228 0.409 -12.151 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.909 0.517 -15.177 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.930 -0.596 -14.289 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.059 1.635 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.718 0.988 -16.637 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.820 2.102 -17.451 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.472 3.064 -14.487 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.374 3.274 -16.239 1.00 0.00 H new ATOM 658 N GLU A 45 -7.457 1.891 -9.365 1.00 0.00 N ATOM 659 CA GLU A 45 -8.472 1.659 -8.345 1.00 0.00 C ATOM 660 C GLU A 45 -8.234 2.547 -7.127 1.00 0.00 C ATOM 661 O GLU A 45 -7.147 3.098 -6.951 1.00 0.00 O ATOM 662 CB GLU A 45 -8.477 0.188 -7.924 1.00 0.00 C ATOM 663 CG GLU A 45 -9.852 -0.329 -7.532 1.00 0.00 C ATOM 664 CD GLU A 45 -9.797 -1.697 -6.880 1.00 0.00 C ATOM 665 OE1 GLU A 45 -9.266 -2.634 -7.511 1.00 0.00 O ATOM 666 OE2 GLU A 45 -10.285 -1.828 -5.738 1.00 0.00 O ATOM 0 H GLU A 45 -6.497 1.797 -9.034 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.443 1.911 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.091 -0.417 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.796 0.057 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.320 0.378 -6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.484 -0.378 -8.419 1.00 0.00 H new ATOM 673 N SER A 46 -9.257 2.681 -6.290 1.00 0.00 N ATOM 674 CA SER A 46 -9.161 3.505 -5.091 1.00 0.00 C ATOM 675 C SER A 46 -9.413 2.673 -3.838 1.00 0.00 C ATOM 676 O SER A 46 -10.497 2.118 -3.654 1.00 0.00 O ATOM 677 CB SER A 46 -10.162 4.661 -5.159 1.00 0.00 C ATOM 678 OG SER A 46 -10.544 5.082 -3.861 1.00 0.00 O ATOM 0 H SER A 46 -10.162 2.229 -6.420 1.00 0.00 H new ATOM 0 HA SER A 46 -8.151 3.911 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.720 5.497 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.044 4.350 -5.718 1.00 0.00 H new ATOM 0 HG SER A 46 -11.182 5.822 -3.932 1.00 0.00 H new ATOM 684 N LEU A 47 -8.404 2.590 -2.978 1.00 0.00 N ATOM 685 CA LEU A 47 -8.514 1.825 -1.740 1.00 0.00 C ATOM 686 C LEU A 47 -8.913 2.727 -0.577 1.00 0.00 C ATOM 687 O LEU A 47 -8.265 3.739 -0.313 1.00 0.00 O ATOM 688 CB LEU A 47 -7.188 1.128 -1.429 1.00 0.00 C ATOM 689 CG LEU A 47 -6.504 0.431 -2.605 1.00 0.00 C ATOM 690 CD1 LEU A 47 -5.265 -0.315 -2.136 1.00 0.00 C ATOM 691 CD2 LEU A 47 -7.470 -0.518 -3.299 1.00 0.00 C ATOM 0 H LEU A 47 -7.500 3.043 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.290 1.072 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.499 1.867 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.364 0.389 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.195 1.191 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.791 -0.805 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.565 0.389 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.549 -1.065 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.965 -1.005 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.811 -1.273 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.327 0.043 -3.671 1.00 0.00 H new ATOM 703 N ARG A 48 -9.983 2.351 0.117 1.00 0.00 N ATOM 704 CA ARG A 48 -10.467 3.125 1.253 1.00 0.00 C ATOM 705 C ARG A 48 -10.630 2.239 2.485 1.00 0.00 C ATOM 706 O ARG A 48 -10.865 1.036 2.370 1.00 0.00 O ATOM 707 CB ARG A 48 -11.801 3.791 0.912 1.00 0.00 C ATOM 708 CG ARG A 48 -11.804 4.494 -0.436 1.00 0.00 C ATOM 709 CD ARG A 48 -13.163 5.102 -0.745 1.00 0.00 C ATOM 710 NE ARG A 48 -13.723 5.804 0.407 1.00 0.00 N ATOM 711 CZ ARG A 48 -14.459 5.212 1.341 1.00 0.00 C ATOM 712 NH1 ARG A 48 -14.722 3.915 1.260 1.00 0.00 N ATOM 713 NH2 ARG A 48 -14.934 5.918 2.359 1.00 0.00 N ATOM 0 H ARG A 48 -10.531 1.515 -0.088 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.729 3.896 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.587 3.036 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.046 4.514 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.045 5.276 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.536 3.784 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.069 5.795 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.849 4.315 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.539 6.803 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -14.359 3.369 0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.287 3.463 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.734 6.916 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.499 5.463 3.076 1.00 0.00 H new ATOM 727 N ASP A 49 -10.502 2.842 3.662 1.00 0.00 N ATOM 728 CA ASP A 49 -10.635 2.108 4.915 1.00 0.00 C ATOM 729 C ASP A 49 -12.016 1.470 5.027 1.00 0.00 C ATOM 730 O ASP A 49 -13.036 2.155 4.956 1.00 0.00 O ATOM 731 CB ASP A 49 -10.392 3.039 6.104 1.00 0.00 C ATOM 732 CG ASP A 49 -11.671 3.672 6.615 1.00 0.00 C ATOM 733 OD1 ASP A 49 -12.364 4.337 5.816 1.00 0.00 O ATOM 734 OD2 ASP A 49 -11.980 3.503 7.812 1.00 0.00 O ATOM 0 H ASP A 49 -10.306 3.837 3.774 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.887 1.316 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.920 2.478 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.694 3.823 5.811 1.00 0.00 H new ATOM 739 N GLY A 50 -12.041 0.152 5.202 1.00 0.00 N ATOM 740 CA GLY A 50 -13.302 -0.557 5.320 1.00 0.00 C ATOM 741 C GLY A 50 -13.177 -1.831 6.132 1.00 0.00 C ATOM 742 O GLY A 50 -12.362 -1.912 7.051 1.00 0.00 O ATOM 0 H GLY A 50 -11.211 -0.437 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.040 0.096 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.674 -0.799 4.324 1.00 0.00 H new ATOM 746 N ASP A 51 -13.988 -2.827 5.794 1.00 0.00 N ATOM 747 CA ASP A 51 -13.966 -4.104 6.499 1.00 0.00 C ATOM 748 C ASP A 51 -12.548 -4.458 6.937 1.00 0.00 C ATOM 749 O ASP A 51 -12.217 -4.387 8.120 1.00 0.00 O ATOM 750 CB ASP A 51 -14.530 -5.212 5.609 1.00 0.00 C ATOM 751 CG ASP A 51 -16.046 -5.245 5.616 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.630 -5.439 6.702 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.647 -5.076 4.535 1.00 0.00 O ATOM 0 H ASP A 51 -14.669 -2.775 5.036 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.589 -4.011 7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.177 -5.068 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.147 -6.175 5.946 1.00 0.00 H new ATOM 758 N ARG A 52 -11.715 -4.841 5.974 1.00 0.00 N ATOM 759 CA ARG A 52 -10.334 -5.208 6.260 1.00 0.00 C ATOM 760 C ARG A 52 -9.382 -4.075 5.890 1.00 0.00 C ATOM 761 O ARG A 52 -8.571 -3.638 6.707 1.00 0.00 O ATOM 762 CB ARG A 52 -9.953 -6.479 5.498 1.00 0.00 C ATOM 763 CG ARG A 52 -10.226 -7.758 6.272 1.00 0.00 C ATOM 764 CD ARG A 52 -9.299 -7.894 7.469 1.00 0.00 C ATOM 765 NE ARG A 52 -9.918 -8.643 8.559 1.00 0.00 N ATOM 766 CZ ARG A 52 -9.228 -9.249 9.519 1.00 0.00 C ATOM 767 NH1 ARG A 52 -7.904 -9.193 9.524 1.00 0.00 N ATOM 768 NH2 ARG A 52 -9.864 -9.911 10.477 1.00 0.00 N ATOM 0 H ARG A 52 -11.973 -4.905 4.989 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.249 -5.395 7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.505 -6.508 4.558 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.894 -6.437 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.262 -7.766 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.100 -8.617 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.381 -8.394 7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.018 -6.903 7.824 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.936 -8.704 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.412 -8.684 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.377 -9.659 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.883 -9.955 10.477 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.334 -10.376 11.214 1.00 0.00 H new ATOM 782 N HIS A 53 -9.485 -3.604 4.651 1.00 0.00 N ATOM 783 CA HIS A 53 -8.633 -2.521 4.171 1.00 0.00 C ATOM 784 C HIS A 53 -8.411 -1.480 5.264 1.00 0.00 C ATOM 785 O HIS A 53 -9.301 -0.684 5.566 1.00 0.00 O ATOM 786 CB HIS A 53 -9.255 -1.861 2.940 1.00 0.00 C ATOM 787 CG HIS A 53 -9.318 -2.762 1.746 1.00 0.00 C ATOM 788 ND1 HIS A 53 -10.282 -3.735 1.587 1.00 0.00 N ATOM 789 CD2 HIS A 53 -8.530 -2.832 0.647 1.00 0.00 C ATOM 790 CE1 HIS A 53 -10.083 -4.366 0.443 1.00 0.00 C ATOM 791 NE2 HIS A 53 -9.026 -3.836 -0.147 1.00 0.00 N ATOM 0 H HIS A 53 -10.150 -3.955 3.961 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.667 -2.946 3.897 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.263 -1.527 3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.679 -0.972 2.684 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.671 -2.213 0.435 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.682 -5.177 0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.641 -4.126 -1.046 1.00 0.00 H new ATOM 800 N SER A 54 -7.220 -1.491 5.853 1.00 0.00 N ATOM 801 CA SER A 54 -6.883 -0.551 6.916 1.00 0.00 C ATOM 802 C SER A 54 -5.838 0.454 6.440 1.00 0.00 C ATOM 803 O SER A 54 -4.817 0.079 5.863 1.00 0.00 O ATOM 804 CB SER A 54 -6.365 -1.301 8.144 1.00 0.00 C ATOM 805 OG SER A 54 -6.722 -0.630 9.340 1.00 0.00 O ATOM 0 H SER A 54 -6.472 -2.141 5.612 1.00 0.00 H new ATOM 0 HA SER A 54 -7.788 -0.007 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.772 -2.312 8.155 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.281 -1.395 8.086 1.00 0.00 H new ATOM 0 HG SER A 54 -6.381 -1.131 10.110 1.00 0.00 H new ATOM 811 N LEU A 55 -6.101 1.732 6.688 1.00 0.00 N ATOM 812 CA LEU A 55 -5.184 2.794 6.286 1.00 0.00 C ATOM 813 C LEU A 55 -4.609 3.507 7.505 1.00 0.00 C ATOM 814 O LEU A 55 -4.494 4.733 7.522 1.00 0.00 O ATOM 815 CB LEU A 55 -5.901 3.799 5.383 1.00 0.00 C ATOM 816 CG LEU A 55 -6.483 3.239 4.085 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.392 2.595 3.244 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.589 2.237 4.385 1.00 0.00 C ATOM 0 H LEU A 55 -6.941 2.059 7.165 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.362 2.340 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.710 4.256 5.953 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.200 4.594 5.130 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.912 4.064 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.826 2.202 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.634 3.339 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.933 1.781 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.992 1.849 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.185 1.415 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.384 2.729 4.946 1.00 0.00 H new ATOM 830 N ARG A 56 -4.249 2.732 8.523 1.00 0.00 N ATOM 831 CA ARG A 56 -3.685 3.290 9.746 1.00 0.00 C ATOM 832 C ARG A 56 -2.377 4.022 9.457 1.00 0.00 C ATOM 833 O ARG A 56 -1.629 3.642 8.556 1.00 0.00 O ATOM 834 CB ARG A 56 -3.446 2.183 10.774 1.00 0.00 C ATOM 835 CG ARG A 56 -2.631 1.019 10.237 1.00 0.00 C ATOM 836 CD ARG A 56 -3.525 -0.110 9.748 1.00 0.00 C ATOM 837 NE ARG A 56 -2.918 -1.421 9.959 1.00 0.00 N ATOM 838 CZ ARG A 56 -2.067 -1.982 9.107 1.00 0.00 C ATOM 839 NH1 ARG A 56 -1.726 -1.350 7.993 1.00 0.00 N ATOM 840 NH2 ARG A 56 -1.556 -3.178 9.369 1.00 0.00 N ATOM 0 H ARG A 56 -4.338 1.716 8.525 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.400 4.006 10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.934 2.606 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.408 1.810 11.125 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.998 1.363 9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.968 0.647 11.018 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.482 -0.066 10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.733 0.026 8.687 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.161 -1.934 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.117 -0.431 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.072 -1.783 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.816 -3.667 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.903 -3.608 8.714 1.00 0.00 H new ATOM 854 N GLN A 57 -2.109 5.071 10.228 1.00 0.00 N ATOM 855 CA GLN A 57 -0.893 5.856 10.053 1.00 0.00 C ATOM 856 C GLN A 57 -0.153 6.015 11.377 1.00 0.00 C ATOM 857 O GLN A 57 -0.759 5.963 12.448 1.00 0.00 O ATOM 858 CB GLN A 57 -1.226 7.231 9.473 1.00 0.00 C ATOM 859 CG GLN A 57 -1.977 7.169 8.153 1.00 0.00 C ATOM 860 CD GLN A 57 -2.452 8.531 7.686 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.616 8.890 7.865 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.550 9.299 7.085 1.00 0.00 N ATOM 0 H GLN A 57 -2.717 5.397 10.979 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.245 5.324 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.824 7.786 10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.301 7.789 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.330 6.734 7.392 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.836 6.506 8.259 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.596 8.961 6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.811 10.227 6.751 1.00 0.00 H new ATOM 871 N ASP A 58 1.159 6.209 11.297 1.00 0.00 N ATOM 872 CA ASP A 58 1.981 6.376 12.489 1.00 0.00 C ATOM 873 C ASP A 58 2.921 7.568 12.338 1.00 0.00 C ATOM 874 O ASP A 58 4.129 7.402 12.169 1.00 0.00 O ATOM 875 CB ASP A 58 2.788 5.106 12.761 1.00 0.00 C ATOM 876 CG ASP A 58 3.212 4.988 14.212 1.00 0.00 C ATOM 877 OD1 ASP A 58 2.354 5.186 15.097 1.00 0.00 O ATOM 878 OD2 ASP A 58 4.401 4.697 14.461 1.00 0.00 O ATOM 0 H ASP A 58 1.676 6.254 10.419 1.00 0.00 H new ATOM 0 HA ASP A 58 1.318 6.563 13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.192 4.235 12.488 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.673 5.099 12.125 1.00 0.00 H new ATOM 883 N GLY A 59 2.358 8.771 12.399 1.00 0.00 N ATOM 884 CA GLY A 59 3.160 9.973 12.265 1.00 0.00 C ATOM 885 C GLY A 59 3.969 9.992 10.983 1.00 0.00 C ATOM 886 O GLY A 59 5.069 9.444 10.928 1.00 0.00 O ATOM 0 H GLY A 59 1.361 8.934 12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.508 10.846 12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.834 10.053 13.118 1.00 0.00 H new ATOM 890 N ALA A 60 3.421 10.621 9.949 1.00 0.00 N ATOM 891 CA ALA A 60 4.098 10.709 8.662 1.00 0.00 C ATOM 892 C ALA A 60 4.457 9.323 8.135 1.00 0.00 C ATOM 893 O ALA A 60 5.496 9.139 7.501 1.00 0.00 O ATOM 894 CB ALA A 60 5.347 11.570 8.780 1.00 0.00 C ATOM 0 H ALA A 60 2.509 11.077 9.978 1.00 0.00 H new ATOM 0 HA ALA A 60 3.415 11.174 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.843 11.627 7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.068 12.573 9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.026 11.128 9.509 1.00 0.00 H new ATOM 900 N VAL A 61 3.590 8.352 8.401 1.00 0.00 N ATOM 901 CA VAL A 61 3.815 6.982 7.953 1.00 0.00 C ATOM 902 C VAL A 61 2.495 6.254 7.727 1.00 0.00 C ATOM 903 O VAL A 61 1.815 5.870 8.680 1.00 0.00 O ATOM 904 CB VAL A 61 4.658 6.190 8.970 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.721 4.721 8.582 1.00 0.00 C ATOM 906 CG2 VAL A 61 6.055 6.782 9.078 1.00 0.00 C ATOM 0 H VAL A 61 2.725 8.488 8.924 1.00 0.00 H new ATOM 0 HA VAL A 61 4.359 7.043 7.010 1.00 0.00 H new ATOM 0 HB VAL A 61 4.181 6.262 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.321 4.177 9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.713 4.307 8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.175 4.624 7.596 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.637 6.211 9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.544 6.741 8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.986 7.819 9.406 1.00 0.00 H new ATOM 916 N CYS A 62 2.138 6.067 6.461 1.00 0.00 N ATOM 917 CA CYS A 62 0.898 5.384 6.109 1.00 0.00 C ATOM 918 C CYS A 62 1.137 3.891 5.911 1.00 0.00 C ATOM 919 O CYS A 62 2.221 3.476 5.505 1.00 0.00 O ATOM 920 CB CYS A 62 0.300 5.991 4.839 1.00 0.00 C ATOM 921 SG CYS A 62 0.121 7.789 4.894 1.00 0.00 S ATOM 0 H CYS A 62 2.689 6.379 5.661 1.00 0.00 H new ATOM 0 HA CYS A 62 0.194 5.514 6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.930 5.725 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.678 5.544 4.662 1.00 0.00 H new ATOM 0 HG CYS A 62 0.975 8.335 4.080 1.00 0.00 H new ATOM 927 N GLU A 63 0.116 3.090 6.201 1.00 0.00 N ATOM 928 CA GLU A 63 0.217 1.642 6.056 1.00 0.00 C ATOM 929 C GLU A 63 -1.107 1.049 5.583 1.00 0.00 C ATOM 930 O GLU A 63 -2.124 1.145 6.270 1.00 0.00 O ATOM 931 CB GLU A 63 0.630 1.002 7.383 1.00 0.00 C ATOM 932 CG GLU A 63 2.134 0.869 7.552 1.00 0.00 C ATOM 933 CD GLU A 63 2.513 -0.047 8.700 1.00 0.00 C ATOM 934 OE1 GLU A 63 2.316 0.351 9.867 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.006 -1.162 8.431 1.00 0.00 O ATOM 0 H GLU A 63 -0.789 3.419 6.537 1.00 0.00 H new ATOM 0 HA GLU A 63 0.979 1.430 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.232 1.598 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.176 0.014 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.567 0.486 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.566 1.855 7.721 1.00 0.00 H new ATOM 942 N LEU A 64 -1.086 0.437 4.404 1.00 0.00 N ATOM 943 CA LEU A 64 -2.284 -0.172 3.837 1.00 0.00 C ATOM 944 C LEU A 64 -2.309 -1.674 4.101 1.00 0.00 C ATOM 945 O LEU A 64 -1.398 -2.399 3.701 1.00 0.00 O ATOM 946 CB LEU A 64 -2.352 0.094 2.332 1.00 0.00 C ATOM 947 CG LEU A 64 -3.380 -0.726 1.552 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.781 -0.478 2.089 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.310 -0.395 0.068 1.00 0.00 C ATOM 0 H LEU A 64 -0.253 0.349 3.822 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.152 0.277 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.569 1.151 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.367 -0.094 1.905 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.146 -1.783 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.498 -1.070 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.824 -0.765 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.026 0.580 1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.048 -0.988 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.518 0.665 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.314 -0.625 -0.309 1.00 0.00 H new ATOM 961 N GLN A 65 -3.358 -2.135 4.775 1.00 0.00 N ATOM 962 CA GLN A 65 -3.501 -3.551 5.091 1.00 0.00 C ATOM 963 C GLN A 65 -4.605 -4.186 4.253 1.00 0.00 C ATOM 964 O GLN A 65 -5.785 -3.878 4.427 1.00 0.00 O ATOM 965 CB GLN A 65 -3.803 -3.736 6.579 1.00 0.00 C ATOM 966 CG GLN A 65 -3.496 -5.133 7.093 1.00 0.00 C ATOM 967 CD GLN A 65 -3.916 -5.329 8.536 1.00 0.00 C ATOM 968 OE1 GLN A 65 -5.064 -5.074 8.902 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.985 -5.784 9.367 1.00 0.00 N ATOM 0 H GLN A 65 -4.121 -1.548 5.113 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.560 -4.047 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.224 -3.012 7.152 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.855 -3.515 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.005 -5.866 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.427 -5.323 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.046 -5.982 9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.209 -5.935 10.351 1.00 0.00 H new ATOM 978 N ILE A 66 -4.216 -5.074 3.344 1.00 0.00 N ATOM 979 CA ILE A 66 -5.173 -5.752 2.480 1.00 0.00 C ATOM 980 C ILE A 66 -5.162 -7.258 2.723 1.00 0.00 C ATOM 981 O ILE A 66 -4.255 -7.962 2.278 1.00 0.00 O ATOM 982 CB ILE A 66 -4.880 -5.482 0.992 1.00 0.00 C ATOM 983 CG1 ILE A 66 -5.050 -3.994 0.679 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.793 -6.321 0.111 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.814 -3.652 -0.776 1.00 0.00 C ATOM 0 H ILE A 66 -3.244 -5.340 3.187 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.157 -5.353 2.726 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.848 -5.763 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.057 -3.685 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.358 -3.420 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.573 -6.119 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.628 -7.378 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.833 -6.068 0.319 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.952 -2.581 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.797 -3.930 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.523 -4.199 -1.398 1.00 0.00 H new ATOM 997 N CYS A 67 -6.176 -7.745 3.429 1.00 0.00 N ATOM 998 CA CYS A 67 -6.285 -9.168 3.730 1.00 0.00 C ATOM 999 C CYS A 67 -6.851 -9.934 2.540 1.00 0.00 C ATOM 1000 O CYS A 67 -7.350 -9.339 1.586 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.169 -9.384 4.959 1.00 0.00 C ATOM 1002 SG CYS A 67 -6.869 -10.946 5.819 1.00 0.00 S ATOM 0 H CYS A 67 -6.935 -7.175 3.804 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.285 -9.547 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.010 -8.561 5.656 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.214 -9.345 4.653 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.662 -11.036 6.845 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.768 -11.260 2.602 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.275 -12.087 1.522 1.00 0.00 C ATOM 1010 C GLY A 68 -6.587 -11.801 0.202 1.00 0.00 C ATOM 1011 O GLY A 68 -7.243 -11.657 -0.830 1.00 0.00 O ATOM 0 H GLY A 68 -6.359 -11.776 3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.140 -13.138 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.347 -11.921 1.413 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.261 -11.717 0.234 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.483 -11.445 -0.970 1.00 0.00 C ATOM 1017 C LEU A 69 -4.821 -12.441 -2.074 1.00 0.00 C ATOM 1018 O LEU A 69 -5.318 -13.535 -1.806 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.987 -11.501 -0.657 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.363 -10.211 -0.123 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.896 -10.427 0.215 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.520 -9.085 -1.134 1.00 0.00 C ATOM 0 H LEU A 69 -4.703 -11.833 1.080 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.738 -10.444 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.819 -12.292 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.457 -11.788 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.886 -9.928 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.469 -9.498 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.808 -11.203 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.358 -10.735 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.070 -8.175 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.023 -9.360 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.579 -8.913 -1.325 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.547 -12.056 -3.316 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.818 -12.917 -4.460 1.00 0.00 C ATOM 1036 C ALA A 70 -3.855 -12.627 -5.607 1.00 0.00 C ATOM 1037 O ALA A 70 -3.605 -11.469 -5.942 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.258 -12.745 -4.921 1.00 0.00 C ATOM 0 H ALA A 70 -4.137 -11.153 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.669 -13.951 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.446 -13.394 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.934 -13.010 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.426 -11.707 -5.209 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.316 -13.685 -6.204 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.381 -13.543 -7.313 1.00 0.00 C ATOM 1046 C VAL A 71 -2.896 -12.542 -8.341 1.00 0.00 C ATOM 1047 O VAL A 71 -2.127 -12.004 -9.138 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.127 -14.893 -8.009 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.370 -14.688 -9.313 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.369 -15.835 -7.085 1.00 0.00 C ATOM 0 H VAL A 71 -3.511 -14.650 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.444 -13.178 -6.893 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.090 -15.348 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.200 -15.653 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.955 -14.053 -9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.412 -14.211 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.198 -16.784 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.411 -15.389 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.954 -16.007 -6.182 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.201 -12.297 -8.318 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.819 -11.358 -9.247 1.00 0.00 C ATOM 1062 C ALA A 72 -4.667 -9.922 -8.758 1.00 0.00 C ATOM 1063 O ALA A 72 -4.514 -8.997 -9.556 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.289 -11.699 -9.442 1.00 0.00 C ATOM 0 H ALA A 72 -4.852 -12.735 -7.666 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.307 -11.443 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.738 -10.990 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.378 -12.708 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.806 -11.643 -8.484 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.712 -9.742 -7.442 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.579 -8.417 -6.847 1.00 0.00 C ATOM 1072 C ASP A 73 -3.236 -7.791 -7.210 1.00 0.00 C ATOM 1073 O ASP A 73 -3.113 -6.569 -7.294 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.721 -8.502 -5.326 1.00 0.00 C ATOM 1075 CG ASP A 73 -6.055 -9.083 -4.901 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.707 -9.746 -5.735 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.447 -8.876 -3.734 1.00 0.00 O ATOM 0 H ASP A 73 -4.839 -10.496 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.373 -7.785 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.916 -9.116 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.608 -7.506 -4.897 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.233 -8.635 -7.424 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.900 -8.164 -7.780 1.00 0.00 C ATOM 1084 C ALA A 74 -0.950 -7.233 -8.986 1.00 0.00 C ATOM 1085 O ALA A 74 -1.775 -7.407 -9.883 1.00 0.00 O ATOM 1086 CB ALA A 74 0.020 -9.344 -8.059 1.00 0.00 C ATOM 0 H ALA A 74 -2.318 -9.649 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.504 -7.600 -6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.012 -8.977 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.090 -9.969 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.382 -9.931 -8.885 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.063 -6.242 -9.001 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.025 -5.298 -10.102 1.00 0.00 C ATOM 1094 C GLY A 75 0.839 -4.089 -9.799 1.00 0.00 C ATOM 1095 O GLY A 75 2.040 -4.096 -10.063 1.00 0.00 O ATOM 0 H GLY A 75 0.629 -6.077 -8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.355 -5.798 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.039 -4.969 -10.329 1.00 0.00 H new ATOM 1099 N GLU A 76 0.225 -3.049 -9.243 1.00 0.00 N ATOM 1100 CA GLU A 76 0.946 -1.827 -8.907 1.00 0.00 C ATOM 1101 C GLU A 76 0.062 -0.876 -8.105 1.00 0.00 C ATOM 1102 O GLU A 76 -0.948 -0.380 -8.606 1.00 0.00 O ATOM 1103 CB GLU A 76 1.439 -1.133 -10.178 1.00 0.00 C ATOM 1104 CG GLU A 76 1.927 0.287 -9.946 1.00 0.00 C ATOM 1105 CD GLU A 76 2.392 0.960 -11.223 1.00 0.00 C ATOM 1106 OE1 GLU A 76 1.528 1.331 -12.045 1.00 0.00 O ATOM 1107 OE2 GLU A 76 3.618 1.116 -11.400 1.00 0.00 O ATOM 0 H GLU A 76 -0.769 -3.028 -9.016 1.00 0.00 H new ATOM 0 HA GLU A 76 1.805 -2.100 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.249 -1.720 -10.612 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.631 -1.116 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.124 0.875 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.747 0.273 -9.228 1.00 0.00 H new ATOM 1114 N TYR A 77 0.448 -0.628 -6.859 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.311 0.261 -5.987 1.00 0.00 C ATOM 1116 C TYR A 77 0.305 1.656 -5.962 1.00 0.00 C ATOM 1117 O TYR A 77 1.462 1.843 -6.339 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.367 -0.309 -4.568 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.207 -1.561 -4.451 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -0.915 -2.690 -5.206 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.293 -1.614 -3.585 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -1.680 -3.836 -5.103 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.062 -2.756 -3.475 1.00 0.00 C ATOM 1124 CZ TYR A 77 -2.753 -3.864 -4.236 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.516 -5.003 -4.129 1.00 0.00 O ATOM 0 H TYR A 77 1.282 -1.030 -6.430 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.324 0.338 -6.382 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.647 -0.529 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.766 0.451 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.076 -2.672 -5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.539 -0.748 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.439 -4.705 -5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.902 -2.781 -2.796 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.231 -4.857 -3.475 1.00 0.00 H new ATOM 1135 N SER A 78 -0.477 2.633 -5.514 1.00 0.00 N ATOM 1136 CA SER A 78 -0.011 4.013 -5.443 1.00 0.00 C ATOM 1137 C SER A 78 -0.653 4.743 -4.266 1.00 0.00 C ATOM 1138 O SER A 78 -1.809 4.493 -3.923 1.00 0.00 O ATOM 1139 CB SER A 78 -0.327 4.749 -6.747 1.00 0.00 C ATOM 1140 OG SER A 78 -0.329 3.857 -7.848 1.00 0.00 O ATOM 0 H SER A 78 -1.436 2.495 -5.195 1.00 0.00 H new ATOM 0 HA SER A 78 1.069 3.998 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.299 5.236 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.410 5.535 -6.913 1.00 0.00 H new ATOM 0 HG SER A 78 -0.535 4.351 -8.669 1.00 0.00 H new ATOM 1146 N CYS A 79 0.106 5.644 -3.653 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.386 6.410 -2.513 1.00 0.00 C ATOM 1148 C CYS A 79 -0.509 7.889 -2.865 1.00 0.00 C ATOM 1149 O CYS A 79 0.491 8.568 -3.095 1.00 0.00 O ATOM 1150 CB CYS A 79 0.545 6.234 -1.313 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.007 7.090 0.181 1.00 0.00 S ATOM 0 H CYS A 79 1.064 5.862 -3.926 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.375 6.033 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.642 5.170 -1.095 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.538 6.596 -1.581 1.00 0.00 H new ATOM 0 HG CYS A 79 0.632 8.216 0.297 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.743 8.382 -2.906 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.997 9.781 -3.230 1.00 0.00 C ATOM 1159 C VAL A 80 -2.163 10.616 -1.966 1.00 0.00 C ATOM 1160 O VAL A 80 -2.851 10.211 -1.028 1.00 0.00 O ATOM 1161 CB VAL A 80 -3.257 9.934 -4.103 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -3.189 11.218 -4.917 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -3.426 8.726 -5.011 1.00 0.00 C ATOM 0 H VAL A 80 -2.582 7.833 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.132 10.140 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.127 9.992 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.087 11.310 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.119 12.072 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.312 11.193 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.321 8.851 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.555 8.634 -5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.523 7.826 -4.404 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.530 11.784 -1.948 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.607 12.678 -0.798 1.00 0.00 C ATOM 1175 C CYS A 81 -2.258 14.003 -1.182 1.00 0.00 C ATOM 1176 O CYS A 81 -3.102 14.525 -0.455 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.211 12.928 -0.226 1.00 0.00 C ATOM 1178 SG CYS A 81 -0.205 13.850 1.330 1.00 0.00 S ATOM 0 H CYS A 81 -0.958 12.134 -2.717 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.223 12.199 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.283 11.969 -0.070 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.379 13.474 -0.962 1.00 0.00 H new ATOM 0 HG CYS A 81 0.819 14.650 1.356 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.857 14.542 -2.329 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.410 15.803 -2.789 1.00 0.00 C ATOM 1186 C GLY A 82 -1.967 16.151 -4.196 1.00 0.00 C ATOM 1187 O GLY A 82 -2.719 15.968 -5.153 1.00 0.00 O ATOM 0 H GLY A 82 -1.160 14.129 -2.948 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.498 15.753 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.107 16.599 -2.109 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.743 16.656 -4.322 1.00 0.00 N ATOM 1192 CA GLU A 83 -0.204 17.033 -5.623 1.00 0.00 C ATOM 1193 C GLU A 83 0.767 15.974 -6.137 1.00 0.00 C ATOM 1194 O GLU A 83 1.041 15.898 -7.335 1.00 0.00 O ATOM 1195 CB GLU A 83 0.503 18.387 -5.534 1.00 0.00 C ATOM 1196 CG GLU A 83 -0.449 19.572 -5.544 1.00 0.00 C ATOM 1197 CD GLU A 83 0.276 20.902 -5.612 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.139 21.153 -4.746 1.00 0.00 O ATOM 1199 OE2 GLU A 83 -0.020 21.692 -6.534 1.00 0.00 O ATOM 0 H GLU A 83 -0.107 16.813 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.036 17.110 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.098 18.417 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.196 18.481 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.122 19.485 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.067 19.545 -4.646 1.00 0.00 H new ATOM 1206 N GLU A 84 1.284 15.159 -5.223 1.00 0.00 N ATOM 1207 CA GLU A 84 2.225 14.105 -5.583 1.00 0.00 C ATOM 1208 C GLU A 84 1.646 12.728 -5.270 1.00 0.00 C ATOM 1209 O GLU A 84 0.596 12.614 -4.637 1.00 0.00 O ATOM 1210 CB GLU A 84 3.548 14.296 -4.839 1.00 0.00 C ATOM 1211 CG GLU A 84 3.400 14.304 -3.327 1.00 0.00 C ATOM 1212 CD GLU A 84 3.068 15.678 -2.780 1.00 0.00 C ATOM 1213 OE1 GLU A 84 3.905 16.594 -2.926 1.00 0.00 O ATOM 1214 OE2 GLU A 84 1.970 15.839 -2.207 1.00 0.00 O ATOM 0 H GLU A 84 1.067 15.208 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 84 2.408 14.167 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.234 13.498 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.001 15.235 -5.156 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.616 13.603 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.326 13.951 -2.873 1.00 0.00 H new ATOM 1221 N ARG A 85 2.338 11.686 -5.718 1.00 0.00 N ATOM 1222 CA ARG A 85 1.893 10.317 -5.488 1.00 0.00 C ATOM 1223 C ARG A 85 2.980 9.319 -5.876 1.00 0.00 C ATOM 1224 O ARG A 85 3.640 9.471 -6.904 1.00 0.00 O ATOM 1225 CB ARG A 85 0.617 10.032 -6.282 1.00 0.00 C ATOM 1226 CG ARG A 85 0.149 8.590 -6.186 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.600 8.162 -7.438 1.00 0.00 C ATOM 1228 NE ARG A 85 -1.542 9.182 -7.888 1.00 0.00 N ATOM 1229 CZ ARG A 85 -2.077 9.205 -9.104 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.762 8.267 -9.987 1.00 0.00 N ATOM 1231 NH2 ARG A 85 -2.927 10.166 -9.439 1.00 0.00 N ATOM 0 H ARG A 85 3.209 11.764 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 85 1.683 10.204 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.177 10.687 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.788 10.281 -7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.008 7.937 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.498 8.474 -5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.115 7.952 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.137 7.235 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.804 9.918 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.108 7.526 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.174 8.286 -10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.171 10.889 -8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.337 10.182 -10.373 1.00 0.00 H new ATOM 1245 N THR A 86 3.163 8.297 -5.045 1.00 0.00 N ATOM 1246 CA THR A 86 4.170 7.276 -5.299 1.00 0.00 C ATOM 1247 C THR A 86 3.525 5.955 -5.703 1.00 0.00 C ATOM 1248 O THR A 86 2.305 5.802 -5.631 1.00 0.00 O ATOM 1249 CB THR A 86 5.059 7.043 -4.063 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.024 6.022 -4.339 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.219 6.642 -2.860 1.00 0.00 C ATOM 0 H THR A 86 2.626 8.155 -4.190 1.00 0.00 H new ATOM 0 HA THR A 86 4.789 7.641 -6.119 1.00 0.00 H new ATOM 0 HB THR A 86 5.574 7.976 -3.832 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.715 5.170 -3.966 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.869 6.483 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.505 7.434 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.680 5.721 -3.083 1.00 0.00 H new ATOM 1259 N SER A 87 4.350 5.003 -6.127 1.00 0.00 N ATOM 1260 CA SER A 87 3.858 3.696 -6.544 1.00 0.00 C ATOM 1261 C SER A 87 4.841 2.596 -6.154 1.00 0.00 C ATOM 1262 O SER A 87 6.044 2.832 -6.049 1.00 0.00 O ATOM 1263 CB SER A 87 3.625 3.674 -8.056 1.00 0.00 C ATOM 1264 OG SER A 87 4.666 4.348 -8.742 1.00 0.00 O ATOM 0 H SER A 87 5.362 5.113 -6.191 1.00 0.00 H new ATOM 0 HA SER A 87 2.912 3.512 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.565 2.642 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.669 4.144 -8.287 1.00 0.00 H new ATOM 0 HG SER A 87 4.495 4.319 -9.706 1.00 0.00 H new ATOM 1270 N ALA A 88 4.318 1.393 -5.940 1.00 0.00 N ATOM 1271 CA ALA A 88 5.148 0.255 -5.563 1.00 0.00 C ATOM 1272 C ALA A 88 4.571 -1.048 -6.106 1.00 0.00 C ATOM 1273 O ALA A 88 3.552 -1.540 -5.619 1.00 0.00 O ATOM 1274 CB ALA A 88 5.289 0.183 -4.050 1.00 0.00 C ATOM 0 H ALA A 88 3.324 1.181 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 88 6.136 0.395 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.911 -0.671 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.753 1.099 -3.684 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.304 0.070 -3.598 1.00 0.00 H new ATOM 1280 N THR A 89 5.229 -1.605 -7.118 1.00 0.00 N ATOM 1281 CA THR A 89 4.781 -2.851 -7.728 1.00 0.00 C ATOM 1282 C THR A 89 4.602 -3.943 -6.679 1.00 0.00 C ATOM 1283 O THR A 89 5.480 -4.169 -5.846 1.00 0.00 O ATOM 1284 CB THR A 89 5.774 -3.341 -8.798 1.00 0.00 C ATOM 1285 OG1 THR A 89 5.985 -2.317 -9.777 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.259 -4.601 -9.478 1.00 0.00 C ATOM 0 H THR A 89 6.074 -1.213 -7.533 1.00 0.00 H new ATOM 0 HA THR A 89 3.821 -2.644 -8.201 1.00 0.00 H new ATOM 0 HB THR A 89 6.719 -3.573 -8.306 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.619 -2.636 -10.453 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.977 -4.928 -10.230 1.00 0.00 H new ATOM 0 HG22 THR A 89 5.128 -5.388 -8.735 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.303 -4.391 -9.957 1.00 0.00 H new ATOM 1294 N LEU A 90 3.459 -4.618 -6.726 1.00 0.00 N ATOM 1295 CA LEU A 90 3.164 -5.689 -5.779 1.00 0.00 C ATOM 1296 C LEU A 90 3.197 -7.049 -6.469 1.00 0.00 C ATOM 1297 O LEU A 90 2.542 -7.256 -7.491 1.00 0.00 O ATOM 1298 CB LEU A 90 1.795 -5.464 -5.135 1.00 0.00 C ATOM 1299 CG LEU A 90 1.343 -6.525 -4.132 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.286 -6.569 -2.939 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.084 -6.255 -3.676 1.00 0.00 C ATOM 0 H LEU A 90 2.722 -4.443 -7.409 1.00 0.00 H new ATOM 0 HA LEU A 90 3.930 -5.677 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.807 -4.498 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.049 -5.400 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 90 1.368 -7.497 -4.625 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.948 -7.330 -2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.293 -6.811 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.294 -5.597 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.389 -7.020 -2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.135 -5.275 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.751 -6.276 -4.538 1.00 0.00 H new ATOM 1313 N THR A 91 3.961 -7.977 -5.900 1.00 0.00 N ATOM 1314 CA THR A 91 4.079 -9.318 -6.459 1.00 0.00 C ATOM 1315 C THR A 91 3.452 -10.355 -5.534 1.00 0.00 C ATOM 1316 O THR A 91 3.924 -10.572 -4.418 1.00 0.00 O ATOM 1317 CB THR A 91 5.551 -9.694 -6.711 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.128 -8.800 -7.670 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.665 -11.126 -7.213 1.00 0.00 C ATOM 0 H THR A 91 4.507 -7.824 -5.052 1.00 0.00 H new ATOM 0 HA THR A 91 3.546 -9.313 -7.410 1.00 0.00 H new ATOM 0 HB THR A 91 6.091 -9.612 -5.768 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.064 -9.045 -7.823 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.714 -11.369 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.251 -11.806 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.112 -11.229 -8.146 1.00 0.00 H new ATOM 1327 N VAL A 92 2.387 -10.994 -6.006 1.00 0.00 N ATOM 1328 CA VAL A 92 1.696 -12.011 -5.221 1.00 0.00 C ATOM 1329 C VAL A 92 2.188 -13.409 -5.579 1.00 0.00 C ATOM 1330 O VAL A 92 2.356 -13.739 -6.753 1.00 0.00 O ATOM 1331 CB VAL A 92 0.172 -11.945 -5.434 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.514 -13.118 -4.751 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.380 -10.623 -4.922 1.00 0.00 C ATOM 0 H VAL A 92 1.984 -10.826 -6.928 1.00 0.00 H new ATOM 0 HA VAL A 92 1.918 -11.808 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.031 -12.008 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.590 -13.054 -4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.139 -14.052 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.305 -13.089 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.458 -10.593 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.167 -10.528 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.089 -9.800 -5.461 1.00 0.00 H new ATOM 1343 N LYS A 93 2.417 -14.229 -4.559 1.00 0.00 N ATOM 1344 CA LYS A 93 2.888 -15.593 -4.764 1.00 0.00 C ATOM 1345 C LYS A 93 1.778 -16.600 -4.480 1.00 0.00 C ATOM 1346 O LYS A 93 0.728 -16.246 -3.946 1.00 0.00 O ATOM 1347 CB LYS A 93 4.093 -15.879 -3.864 1.00 0.00 C ATOM 1348 CG LYS A 93 5.173 -14.814 -3.938 1.00 0.00 C ATOM 1349 CD LYS A 93 5.527 -14.477 -5.377 1.00 0.00 C ATOM 1350 CE LYS A 93 6.202 -15.648 -6.073 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.596 -15.311 -7.469 1.00 0.00 N ATOM 0 H LYS A 93 2.284 -13.972 -3.581 1.00 0.00 H new ATOM 0 HA LYS A 93 3.189 -15.694 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.752 -15.968 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.523 -16.841 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.833 -13.914 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.064 -15.161 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.623 -14.201 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.188 -13.610 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.085 -15.946 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.526 -16.503 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.053 -16.135 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.750 -15.051 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.261 -14.511 -7.459 1.00 0.00 H new ATOM 1365 N ALA A 94 2.020 -17.857 -4.840 1.00 0.00 N ATOM 1366 CA ALA A 94 1.042 -18.915 -4.620 1.00 0.00 C ATOM 1367 C ALA A 94 1.326 -19.665 -3.323 1.00 0.00 C ATOM 1368 O ALA A 94 2.360 -20.319 -3.185 1.00 0.00 O ATOM 1369 CB ALA A 94 1.034 -19.879 -5.797 1.00 0.00 C ATOM 0 H ALA A 94 2.884 -18.167 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 94 0.058 -18.454 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.299 -20.664 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.775 -19.339 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.022 -20.326 -5.908 1.00 0.00 H new