USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 617 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 33 THR OG1 : rot -170:sc= 0.585 USER MOD Set 1.2: A 35 THR OG1 : rot -34:sc= 0.271 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.12 X(o=-0.21,f=-0.2) USER MOD Set 2.2: A 25 TYR OH : rot -150:sc= -0.0922 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 91:sc= 1.29 USER MOD Single : A 26 SER OG : rot -150:sc= -0.0948 USER MOD Single : A 37 THR OG1 : rot 140:sc= 0.00154 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0875 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.32) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 65 GLN : amide:sc= 0.559 K(o=0.56,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -150:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.796 -11.829 0.677 1.00 0.00 N ATOM 67 CA PHE A 8 2.197 -10.460 0.962 1.00 0.00 C ATOM 68 C PHE A 8 1.000 -9.516 1.078 1.00 0.00 C ATOM 69 O PHE A 8 0.920 -8.702 1.996 1.00 0.00 O ATOM 70 CB PHE A 8 3.148 -9.991 -0.137 1.00 0.00 C ATOM 71 CG PHE A 8 3.407 -8.504 -0.108 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.140 -7.947 0.951 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.908 -7.677 -1.129 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.396 -6.570 0.973 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.208 -6.308 -1.133 1.00 0.00 C ATOM 76 CZ PHE A 8 3.952 -5.753 -0.078 1.00 0.00 C ATOM 0 HA PHE A 8 2.699 -10.441 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.096 -10.520 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.732 -10.262 -1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.506 -8.578 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.293 -8.097 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 8 4.937 -6.136 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.868 -5.681 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.182 -4.698 -0.076 1.00 0.00 H new ATOM 86 N LYS A 9 0.067 -9.620 0.130 1.00 0.00 N ATOM 87 CA LYS A 9 -1.024 -8.669 0.006 1.00 0.00 C ATOM 88 C LYS A 9 -1.945 -8.627 1.229 1.00 0.00 C ATOM 89 O LYS A 9 -2.401 -7.540 1.582 1.00 0.00 O ATOM 90 CB LYS A 9 -1.792 -8.909 -1.299 1.00 0.00 C ATOM 91 CG LYS A 9 -2.400 -10.309 -1.492 1.00 0.00 C ATOM 92 CD LYS A 9 -3.406 -10.316 -2.655 1.00 0.00 C ATOM 93 CE LYS A 9 -2.739 -10.379 -4.035 1.00 0.00 C ATOM 94 NZ LYS A 9 -2.367 -11.762 -4.417 1.00 0.00 N ATOM 0 H LYS A 9 0.052 -10.364 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.579 -7.675 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.597 -8.176 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.118 -8.712 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.607 -11.030 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.897 -10.623 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.074 -11.170 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.023 -9.419 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.417 -9.968 -4.783 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.847 -9.752 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.920 -11.754 -5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.699 -12.147 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.220 -12.356 -4.445 1.00 0.00 H new ATOM 108 N ALA A 10 -2.190 -9.772 1.864 1.00 0.00 N ATOM 109 CA ALA A 10 -2.948 -9.894 3.101 1.00 0.00 C ATOM 110 C ALA A 10 -2.235 -9.149 4.210 1.00 0.00 C ATOM 111 O ALA A 10 -2.784 -8.210 4.776 1.00 0.00 O ATOM 112 CB ALA A 10 -3.098 -11.376 3.472 1.00 0.00 C ATOM 0 H ALA A 10 -1.853 -10.670 1.516 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.939 -9.462 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.666 -11.464 4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.624 -11.900 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.111 -11.819 3.608 1.00 0.00 H new ATOM 118 N GLU A 11 -1.003 -9.557 4.505 1.00 0.00 N ATOM 119 CA GLU A 11 -0.223 -9.000 5.598 1.00 0.00 C ATOM 120 C GLU A 11 -0.094 -7.484 5.473 1.00 0.00 C ATOM 121 O GLU A 11 -0.148 -6.759 6.468 1.00 0.00 O ATOM 122 CB GLU A 11 1.174 -9.608 5.545 1.00 0.00 C ATOM 123 CG GLU A 11 1.248 -11.082 5.909 1.00 0.00 C ATOM 124 CD GLU A 11 0.671 -11.367 7.296 1.00 0.00 C ATOM 125 OE1 GLU A 11 0.843 -10.523 8.201 1.00 0.00 O ATOM 126 OE2 GLU A 11 0.104 -12.472 7.481 1.00 0.00 O ATOM 0 H GLU A 11 -0.518 -10.289 3.986 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.725 -9.228 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.573 -9.477 4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.823 -9.050 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.705 -11.665 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.287 -11.411 5.876 1.00 0.00 H new ATOM 133 N LEU A 12 0.114 -7.006 4.247 1.00 0.00 N ATOM 134 CA LEU A 12 0.249 -5.594 3.956 1.00 0.00 C ATOM 135 C LEU A 12 -1.082 -4.865 4.145 1.00 0.00 C ATOM 136 O LEU A 12 -1.091 -3.768 4.698 1.00 0.00 O ATOM 137 CB LEU A 12 0.783 -5.444 2.531 1.00 0.00 C ATOM 138 CG LEU A 12 1.261 -4.007 2.270 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.641 -3.728 2.880 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.243 -3.750 0.768 1.00 0.00 C ATOM 0 H LEU A 12 0.193 -7.602 3.423 1.00 0.00 H new ATOM 0 HA LEU A 12 0.952 -5.136 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.607 -6.140 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.003 -5.707 1.817 1.00 0.00 H new ATOM 0 HG LEU A 12 0.579 -3.315 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.932 -2.699 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.599 -3.877 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.374 -4.409 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.580 -2.733 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.907 -4.457 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.229 -3.877 0.389 1.00 0.00 H new ATOM 152 N ASN A 13 -2.198 -5.462 3.710 1.00 0.00 N ATOM 153 CA ASN A 13 -3.528 -4.893 3.915 1.00 0.00 C ATOM 154 C ASN A 13 -3.789 -4.715 5.400 1.00 0.00 C ATOM 155 O ASN A 13 -4.105 -3.610 5.833 1.00 0.00 O ATOM 156 CB ASN A 13 -4.614 -5.776 3.291 1.00 0.00 C ATOM 157 CG ASN A 13 -6.013 -5.214 3.524 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.526 -4.485 2.679 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.662 -5.567 4.621 1.00 0.00 N ATOM 0 H ASN A 13 -2.201 -6.350 3.208 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.562 -3.922 3.422 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.435 -5.869 2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.552 -6.779 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.612 -5.233 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.212 -6.174 5.307 1.00 0.00 H new ATOM 166 N GLU A 14 -3.643 -5.789 6.178 1.00 0.00 N ATOM 167 CA GLU A 14 -3.894 -5.763 7.622 1.00 0.00 C ATOM 168 C GLU A 14 -3.032 -4.710 8.342 1.00 0.00 C ATOM 169 O GLU A 14 -3.500 -4.070 9.285 1.00 0.00 O ATOM 170 CB GLU A 14 -3.663 -7.159 8.228 1.00 0.00 C ATOM 171 CG GLU A 14 -4.551 -8.281 7.659 1.00 0.00 C ATOM 172 CD GLU A 14 -6.018 -8.234 8.089 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.630 -7.140 8.071 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.597 -9.312 8.344 1.00 0.00 O ATOM 0 H GLU A 14 -3.348 -6.700 5.827 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.936 -5.478 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.619 -7.434 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.825 -7.101 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.507 -8.240 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.132 -9.241 7.959 1.00 0.00 H new ATOM 181 N PHE A 15 -1.794 -4.493 7.885 1.00 0.00 N ATOM 182 CA PHE A 15 -0.896 -3.459 8.390 1.00 0.00 C ATOM 183 C PHE A 15 -1.428 -2.057 8.049 1.00 0.00 C ATOM 184 O PHE A 15 -1.634 -1.220 8.936 1.00 0.00 O ATOM 185 CB PHE A 15 0.509 -3.704 7.813 1.00 0.00 C ATOM 186 CG PHE A 15 1.520 -2.610 8.090 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.233 -2.593 9.303 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.745 -1.601 7.131 1.00 0.00 C ATOM 189 CE1 PHE A 15 3.151 -1.560 9.558 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.645 -0.556 7.398 1.00 0.00 C ATOM 191 CZ PHE A 15 3.342 -0.533 8.618 1.00 0.00 C ATOM 0 H PHE A 15 -1.382 -5.048 7.135 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.841 -3.510 9.477 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.892 -4.641 8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.424 -3.833 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 15 2.075 -3.371 10.035 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.223 -1.632 6.186 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.712 -1.555 10.481 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.800 0.226 6.669 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.025 0.275 8.833 1.00 0.00 H new ATOM 201 N LEU A 16 -1.624 -1.780 6.757 1.00 0.00 N ATOM 202 CA LEU A 16 -2.014 -0.475 6.218 1.00 0.00 C ATOM 203 C LEU A 16 -3.369 -0.027 6.744 1.00 0.00 C ATOM 204 O LEU A 16 -3.566 1.165 6.964 1.00 0.00 O ATOM 205 CB LEU A 16 -2.101 -0.558 4.693 1.00 0.00 C ATOM 206 CG LEU A 16 -0.736 -0.615 3.992 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.970 -1.084 2.559 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.031 0.747 4.008 1.00 0.00 C ATOM 0 H LEU A 16 -1.511 -2.486 6.030 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.259 0.246 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.676 -1.443 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.652 0.307 4.323 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.082 -1.308 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.017 -1.135 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.432 -2.071 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.629 -0.381 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.931 0.665 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.649 1.483 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.127 1.063 5.039 1.00 0.00 H new ATOM 220 N THR A 17 -4.271 -0.977 6.983 1.00 0.00 N ATOM 221 CA THR A 17 -5.595 -0.757 7.543 1.00 0.00 C ATOM 222 C THR A 17 -5.533 0.137 8.783 1.00 0.00 C ATOM 223 O THR A 17 -6.413 0.979 8.961 1.00 0.00 O ATOM 224 CB THR A 17 -6.227 -2.136 7.815 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.505 -2.756 6.576 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.518 -2.096 8.629 1.00 0.00 C ATOM 0 H THR A 17 -4.088 -1.960 6.782 1.00 0.00 H new ATOM 0 HA THR A 17 -6.228 -0.217 6.839 1.00 0.00 H new ATOM 0 HB THR A 17 -5.502 -2.689 8.412 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.732 -3.290 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.890 -3.111 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.322 -1.642 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.265 -1.506 8.098 1.00 0.00 H new ATOM 234 N ARG A 18 -4.518 -0.018 9.639 1.00 0.00 N ATOM 235 CA ARG A 18 -4.373 0.819 10.828 1.00 0.00 C ATOM 236 C ARG A 18 -3.568 2.072 10.530 1.00 0.00 C ATOM 237 O ARG A 18 -3.919 3.144 11.016 1.00 0.00 O ATOM 238 CB ARG A 18 -3.752 0.020 11.969 1.00 0.00 C ATOM 239 CG ARG A 18 -4.742 -1.037 12.447 1.00 0.00 C ATOM 240 CD ARG A 18 -4.125 -1.893 13.546 1.00 0.00 C ATOM 241 NE ARG A 18 -5.100 -2.909 13.932 1.00 0.00 N ATOM 242 CZ ARG A 18 -6.111 -2.743 14.786 1.00 0.00 C ATOM 243 NH1 ARG A 18 -6.200 -1.650 15.542 1.00 0.00 N ATOM 244 NH2 ARG A 18 -7.033 -3.689 14.873 1.00 0.00 N ATOM 0 H ARG A 18 -3.784 -0.718 9.528 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.367 1.141 11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.830 -0.455 11.635 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.488 0.685 12.791 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.646 -0.554 12.819 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.039 -1.669 11.610 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.207 -2.362 13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.858 -1.276 14.404 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.999 -3.832 13.509 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.488 -0.923 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.980 -1.540 16.190 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.962 -4.525 14.293 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.814 -3.582 15.520 1.00 0.00 H new ATOM 258 N GLU A 19 -2.505 1.962 9.731 1.00 0.00 N ATOM 259 CA GLU A 19 -1.629 3.090 9.416 1.00 0.00 C ATOM 260 C GLU A 19 -2.364 4.225 8.689 1.00 0.00 C ATOM 261 O GLU A 19 -1.899 5.366 8.704 1.00 0.00 O ATOM 262 CB GLU A 19 -0.416 2.596 8.610 1.00 0.00 C ATOM 263 CG GLU A 19 0.733 2.108 9.510 1.00 0.00 C ATOM 264 CD GLU A 19 1.377 3.189 10.398 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.063 4.397 10.272 1.00 0.00 O ATOM 266 OE2 GLU A 19 2.176 2.821 11.291 1.00 0.00 O ATOM 0 H GLU A 19 -2.228 1.088 9.284 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.281 3.515 10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.727 1.784 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.055 3.403 7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.357 1.311 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.507 1.671 8.879 1.00 0.00 H new ATOM 273 N LEU A 20 -3.508 3.927 8.066 1.00 0.00 N ATOM 274 CA LEU A 20 -4.316 4.851 7.278 1.00 0.00 C ATOM 275 C LEU A 20 -5.801 4.745 7.663 1.00 0.00 C ATOM 276 O LEU A 20 -6.683 5.041 6.848 1.00 0.00 O ATOM 277 CB LEU A 20 -4.066 4.538 5.795 1.00 0.00 C ATOM 278 CG LEU A 20 -2.611 4.738 5.332 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.483 4.141 3.928 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.209 6.220 5.361 1.00 0.00 C ATOM 0 H LEU A 20 -3.911 2.991 8.101 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.032 5.884 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.356 3.505 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.716 5.170 5.190 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.928 4.231 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.461 4.267 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.728 3.079 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.169 4.651 3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.176 6.323 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.862 6.787 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.303 6.603 6.377 1.00 0.00 H new ATOM 292 N ALA A 21 -6.076 4.290 8.894 1.00 0.00 N ATOM 293 CA ALA A 21 -7.415 4.004 9.398 1.00 0.00 C ATOM 294 C ALA A 21 -8.335 5.215 9.258 1.00 0.00 C ATOM 295 O ALA A 21 -9.399 5.116 8.641 1.00 0.00 O ATOM 296 CB ALA A 21 -7.340 3.566 10.864 1.00 0.00 C ATOM 0 H ALA A 21 -5.346 4.107 9.583 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.834 3.195 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.344 3.354 11.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.727 2.668 10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.895 4.363 11.460 1.00 0.00 H new ATOM 302 N GLU A 22 -7.914 6.340 9.841 1.00 0.00 N ATOM 303 CA GLU A 22 -8.639 7.602 9.821 1.00 0.00 C ATOM 304 C GLU A 22 -8.805 8.099 8.389 1.00 0.00 C ATOM 305 O GLU A 22 -9.891 8.532 8.011 1.00 0.00 O ATOM 306 CB GLU A 22 -7.867 8.657 10.624 1.00 0.00 C ATOM 307 CG GLU A 22 -7.776 8.391 12.127 1.00 0.00 C ATOM 308 CD GLU A 22 -9.133 8.145 12.788 1.00 0.00 C ATOM 309 OE1 GLU A 22 -10.136 8.821 12.464 1.00 0.00 O ATOM 310 OE2 GLU A 22 -9.194 7.189 13.594 1.00 0.00 O ATOM 0 H GLU A 22 -7.034 6.394 10.353 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.622 7.441 10.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.856 8.729 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.341 9.626 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.136 7.525 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.295 9.242 12.610 1.00 0.00 H new ATOM 317 N ASP A 23 -7.725 8.042 7.604 1.00 0.00 N ATOM 318 CA ASP A 23 -7.592 8.772 6.350 1.00 0.00 C ATOM 319 C ASP A 23 -8.580 8.318 5.299 1.00 0.00 C ATOM 320 O ASP A 23 -8.961 9.112 4.436 1.00 0.00 O ATOM 321 CB ASP A 23 -6.176 8.626 5.778 1.00 0.00 C ATOM 322 CG ASP A 23 -5.234 9.486 6.607 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.847 9.036 7.716 1.00 0.00 O ATOM 324 OD2 ASP A 23 -5.089 10.669 6.245 1.00 0.00 O ATOM 0 H ASP A 23 -6.907 7.476 7.830 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.799 9.815 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.861 7.583 5.806 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.154 8.938 4.734 1.00 0.00 H new ATOM 329 N GLY A 24 -8.958 7.042 5.316 1.00 0.00 N ATOM 330 CA GLY A 24 -9.817 6.481 4.291 1.00 0.00 C ATOM 331 C GLY A 24 -9.113 5.513 3.369 1.00 0.00 C ATOM 332 O GLY A 24 -9.404 5.500 2.169 1.00 0.00 O ATOM 0 H GLY A 24 -8.677 6.377 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.653 5.970 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.237 7.293 3.698 1.00 0.00 H new ATOM 336 N TYR A 25 -8.253 4.664 3.932 1.00 0.00 N ATOM 337 CA TYR A 25 -7.803 3.436 3.298 1.00 0.00 C ATOM 338 C TYR A 25 -8.987 2.610 2.778 1.00 0.00 C ATOM 339 O TYR A 25 -10.095 2.695 3.316 1.00 0.00 O ATOM 340 CB TYR A 25 -7.032 2.638 4.351 1.00 0.00 C ATOM 341 CG TYR A 25 -6.311 1.434 3.800 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.276 1.617 2.866 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.693 0.138 4.190 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.623 0.504 2.312 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.015 -0.978 3.674 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.978 -0.796 2.737 1.00 0.00 C ATOM 347 OH TYR A 25 -4.323 -1.874 2.244 1.00 0.00 O ATOM 0 H TYR A 25 -7.847 4.817 4.855 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.173 3.671 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.307 3.295 4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.727 2.310 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.983 2.615 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.507 0.001 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.854 0.641 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.287 -1.973 3.994 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.928 -2.645 2.227 1.00 0.00 H new ATOM 357 N SER A 26 -8.744 1.777 1.771 1.00 0.00 N ATOM 358 CA SER A 26 -9.684 0.801 1.233 1.00 0.00 C ATOM 359 C SER A 26 -8.974 -0.541 1.041 1.00 0.00 C ATOM 360 O SER A 26 -9.527 -1.574 1.434 1.00 0.00 O ATOM 361 CB SER A 26 -10.258 1.330 -0.089 1.00 0.00 C ATOM 362 OG SER A 26 -11.508 1.970 0.075 1.00 0.00 O ATOM 0 H SER A 26 -7.846 1.764 1.287 1.00 0.00 H new ATOM 0 HA SER A 26 -10.510 0.647 1.927 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.551 2.031 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.368 0.502 -0.790 1.00 0.00 H new ATOM 0 HG SER A 26 -12.040 1.864 -0.741 1.00 0.00 H new ATOM 368 N GLY A 27 -7.770 -0.535 0.470 1.00 0.00 N ATOM 369 CA GLY A 27 -7.034 -1.746 0.163 1.00 0.00 C ATOM 370 C GLY A 27 -5.740 -1.389 -0.546 1.00 0.00 C ATOM 371 O GLY A 27 -5.298 -0.239 -0.505 1.00 0.00 O ATOM 0 H GLY A 27 -7.280 0.321 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.819 -2.295 1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.637 -2.400 -0.467 1.00 0.00 H new ATOM 375 N VAL A 28 -5.087 -2.360 -1.172 1.00 0.00 N ATOM 376 CA VAL A 28 -3.803 -2.143 -1.816 1.00 0.00 C ATOM 377 C VAL A 28 -3.622 -3.192 -2.909 1.00 0.00 C ATOM 378 O VAL A 28 -4.122 -4.317 -2.797 1.00 0.00 O ATOM 379 CB VAL A 28 -2.715 -2.202 -0.714 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.724 -3.526 0.080 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.307 -1.917 -1.238 1.00 0.00 C ATOM 0 H VAL A 28 -5.433 -3.317 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.733 -1.170 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.985 -1.398 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.939 -3.503 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.691 -3.652 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.548 -4.359 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.594 -1.974 -0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.045 -2.654 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.277 -0.919 -1.676 1.00 0.00 H new ATOM 391 N GLU A 29 -2.863 -2.847 -3.944 1.00 0.00 N ATOM 392 CA GLU A 29 -2.508 -3.756 -5.022 1.00 0.00 C ATOM 393 C GLU A 29 -0.994 -3.857 -5.115 1.00 0.00 C ATOM 394 O GLU A 29 -0.254 -2.944 -4.728 1.00 0.00 O ATOM 395 CB GLU A 29 -3.200 -3.377 -6.342 1.00 0.00 C ATOM 396 CG GLU A 29 -4.699 -3.697 -6.175 1.00 0.00 C ATOM 397 CD GLU A 29 -5.596 -3.406 -7.378 1.00 0.00 C ATOM 398 OE1 GLU A 29 -5.113 -3.286 -8.521 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.845 -3.467 -7.221 1.00 0.00 O ATOM 0 H GLU A 29 -2.472 -1.912 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.883 -4.755 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.054 -2.320 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.776 -3.939 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.797 -4.753 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.076 -3.131 -5.323 1.00 0.00 H new ATOM 406 N VAL A 30 -0.547 -5.016 -5.590 1.00 0.00 N ATOM 407 CA VAL A 30 0.856 -5.399 -5.691 1.00 0.00 C ATOM 408 C VAL A 30 1.142 -5.802 -7.133 1.00 0.00 C ATOM 409 O VAL A 30 0.278 -6.372 -7.813 1.00 0.00 O ATOM 410 CB VAL A 30 1.202 -6.523 -4.673 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.348 -7.801 -4.746 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.690 -6.890 -4.741 1.00 0.00 C ATOM 0 H VAL A 30 -1.178 -5.742 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 30 1.498 -4.557 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 30 0.954 -6.075 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.685 -8.508 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.698 -7.550 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.451 -8.251 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.904 -7.678 -4.019 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.933 -7.241 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.292 -6.012 -4.509 1.00 0.00 H new ATOM 422 N ARG A 31 2.380 -5.560 -7.569 1.00 0.00 N ATOM 423 CA ARG A 31 2.960 -6.143 -8.771 1.00 0.00 C ATOM 424 C ARG A 31 4.347 -6.661 -8.409 1.00 0.00 C ATOM 425 O ARG A 31 4.977 -6.150 -7.475 1.00 0.00 O ATOM 426 CB ARG A 31 3.014 -5.085 -9.891 1.00 0.00 C ATOM 427 CG ARG A 31 1.619 -4.838 -10.493 1.00 0.00 C ATOM 428 CD ARG A 31 1.623 -3.666 -11.477 1.00 0.00 C ATOM 429 NE ARG A 31 0.458 -3.693 -12.380 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.791 -3.285 -12.117 1.00 0.00 C ATOM 431 NH1 ARG A 31 -1.117 -2.860 -10.901 1.00 0.00 N ATOM 432 NH2 ARG A 31 -1.713 -3.308 -13.073 1.00 0.00 N ATOM 0 H ARG A 31 3.021 -4.935 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 31 2.355 -6.970 -9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.412 -4.151 -9.494 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.697 -5.415 -10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.279 -5.739 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.908 -4.637 -9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.629 -2.728 -10.922 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.539 -3.693 -12.067 1.00 0.00 H new ATOM 0 HE ARG A 31 0.622 -4.066 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.415 -2.843 -10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.069 -2.551 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.470 -3.636 -14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.664 -2.997 -12.872 1.00 0.00 H new ATOM 446 N VAL A 32 4.820 -7.665 -9.138 1.00 0.00 N ATOM 447 CA VAL A 32 6.241 -7.942 -9.296 1.00 0.00 C ATOM 448 C VAL A 32 6.570 -7.301 -10.640 1.00 0.00 C ATOM 449 O VAL A 32 5.795 -7.466 -11.583 1.00 0.00 O ATOM 450 CB VAL A 32 6.495 -9.468 -9.335 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.978 -9.824 -9.523 1.00 0.00 C ATOM 452 CG2 VAL A 32 6.022 -10.187 -8.065 1.00 0.00 C ATOM 0 H VAL A 32 4.219 -8.317 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 32 6.851 -7.557 -8.479 1.00 0.00 H new ATOM 0 HB VAL A 32 5.915 -9.804 -10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.092 -10.908 -9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.337 -9.404 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.558 -9.413 -8.697 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.227 -11.254 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.551 -9.785 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.950 -10.033 -7.937 1.00 0.00 H new ATOM 462 N THR A 33 7.682 -6.580 -10.741 1.00 0.00 N ATOM 463 CA THR A 33 8.216 -6.191 -12.043 1.00 0.00 C ATOM 464 C THR A 33 9.633 -6.750 -12.187 1.00 0.00 C ATOM 465 O THR A 33 10.245 -7.126 -11.173 1.00 0.00 O ATOM 466 CB THR A 33 8.061 -4.676 -12.308 1.00 0.00 C ATOM 467 OG1 THR A 33 9.200 -3.918 -11.942 1.00 0.00 O ATOM 468 CG2 THR A 33 6.792 -4.075 -11.693 1.00 0.00 C ATOM 0 H THR A 33 8.228 -6.255 -9.943 1.00 0.00 H new ATOM 0 HA THR A 33 7.627 -6.637 -12.845 1.00 0.00 H new ATOM 0 HB THR A 33 7.961 -4.607 -13.391 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.985 -2.963 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.748 -3.009 -11.918 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.915 -4.571 -12.110 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.809 -4.217 -10.612 1.00 0.00 H new ATOM 476 N PRO A 34 10.204 -6.757 -13.405 1.00 0.00 N ATOM 477 CA PRO A 34 11.585 -7.153 -13.621 1.00 0.00 C ATOM 478 C PRO A 34 12.573 -6.098 -13.096 1.00 0.00 C ATOM 479 O PRO A 34 13.780 -6.308 -13.199 1.00 0.00 O ATOM 480 CB PRO A 34 11.707 -7.402 -15.127 1.00 0.00 C ATOM 481 CG PRO A 34 10.630 -6.524 -15.754 1.00 0.00 C ATOM 482 CD PRO A 34 9.581 -6.355 -14.658 1.00 0.00 C ATOM 0 HA PRO A 34 11.843 -8.053 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.698 -7.135 -15.493 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.551 -8.453 -15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.036 -5.561 -16.066 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.204 -6.993 -16.641 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.242 -5.320 -14.605 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.704 -6.968 -14.866 1.00 0.00 H new ATOM 490 N THR A 35 12.103 -4.989 -12.507 1.00 0.00 N ATOM 491 CA THR A 35 12.974 -3.950 -11.975 1.00 0.00 C ATOM 492 C THR A 35 12.876 -3.857 -10.450 1.00 0.00 C ATOM 493 O THR A 35 13.913 -3.815 -9.792 1.00 0.00 O ATOM 494 CB THR A 35 12.759 -2.612 -12.707 1.00 0.00 C ATOM 495 OG1 THR A 35 11.534 -1.982 -12.388 1.00 0.00 O ATOM 496 CG2 THR A 35 12.814 -2.758 -14.231 1.00 0.00 C ATOM 0 H THR A 35 11.109 -4.794 -12.390 1.00 0.00 H new ATOM 0 HA THR A 35 14.008 -4.229 -12.176 1.00 0.00 H new ATOM 0 HB THR A 35 13.584 -1.993 -12.356 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.847 -2.663 -12.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.656 -1.785 -14.696 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.789 -3.146 -14.524 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.036 -3.447 -14.559 1.00 0.00 H new ATOM 504 N ARG A 36 11.664 -3.834 -9.875 1.00 0.00 N ATOM 505 CA ARG A 36 11.451 -3.782 -8.428 1.00 0.00 C ATOM 506 C ARG A 36 10.023 -4.205 -8.086 1.00 0.00 C ATOM 507 O ARG A 36 9.193 -4.371 -8.982 1.00 0.00 O ATOM 508 CB ARG A 36 11.776 -2.376 -7.881 1.00 0.00 C ATOM 509 CG ARG A 36 11.050 -1.203 -8.555 1.00 0.00 C ATOM 510 CD ARG A 36 11.183 0.065 -7.701 1.00 0.00 C ATOM 511 NE ARG A 36 12.582 0.502 -7.487 1.00 0.00 N ATOM 512 CZ ARG A 36 13.090 1.714 -7.744 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.378 2.637 -8.373 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.331 1.996 -7.383 1.00 0.00 N ATOM 0 H ARG A 36 10.797 -3.851 -10.412 1.00 0.00 H new ATOM 0 HA ARG A 36 12.130 -4.485 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.540 -2.359 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.850 -2.212 -7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.469 -1.028 -9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.997 -1.449 -8.693 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.630 0.873 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.716 -0.111 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 36 13.225 -0.192 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.425 2.430 -8.671 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.783 3.554 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.897 1.291 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.722 2.918 -7.577 1.00 0.00 H new ATOM 528 N THR A 37 9.712 -4.349 -6.797 1.00 0.00 N ATOM 529 CA THR A 37 8.322 -4.391 -6.364 1.00 0.00 C ATOM 530 C THR A 37 7.708 -3.000 -6.562 1.00 0.00 C ATOM 531 O THR A 37 8.384 -1.983 -6.382 1.00 0.00 O ATOM 532 CB THR A 37 8.246 -4.798 -4.882 1.00 0.00 C ATOM 533 OG1 THR A 37 8.970 -5.991 -4.663 1.00 0.00 O ATOM 534 CG2 THR A 37 6.792 -4.998 -4.432 1.00 0.00 C ATOM 0 H THR A 37 10.397 -4.437 -6.046 1.00 0.00 H new ATOM 0 HA THR A 37 7.770 -5.125 -6.951 1.00 0.00 H new ATOM 0 HB THR A 37 8.684 -3.990 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.457 -5.927 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.773 -5.285 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.239 -4.068 -4.565 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.331 -5.783 -5.031 1.00 0.00 H new ATOM 542 N GLU A 38 6.402 -2.958 -6.816 1.00 0.00 N ATOM 543 CA GLU A 38 5.591 -1.763 -6.683 1.00 0.00 C ATOM 544 C GLU A 38 4.429 -2.093 -5.748 1.00 0.00 C ATOM 545 O GLU A 38 3.884 -3.205 -5.780 1.00 0.00 O ATOM 546 CB GLU A 38 5.059 -1.321 -8.047 1.00 0.00 C ATOM 547 CG GLU A 38 6.167 -0.882 -9.021 1.00 0.00 C ATOM 548 CD GLU A 38 5.657 0.118 -10.065 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.461 0.075 -10.436 1.00 0.00 O ATOM 550 OE2 GLU A 38 6.416 1.025 -10.472 1.00 0.00 O ATOM 0 H GLU A 38 5.873 -3.773 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 38 6.189 -0.946 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.497 -2.142 -8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.361 -0.496 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.985 -0.432 -8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.572 -1.758 -9.527 1.00 0.00 H new ATOM 557 N ILE A 39 4.051 -1.108 -4.933 1.00 0.00 N ATOM 558 CA ILE A 39 2.990 -1.188 -3.937 1.00 0.00 C ATOM 559 C ILE A 39 2.092 0.019 -4.160 1.00 0.00 C ATOM 560 O ILE A 39 2.595 1.138 -4.083 1.00 0.00 O ATOM 561 CB ILE A 39 3.617 -1.171 -2.518 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.533 -2.389 -2.265 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.523 -1.095 -1.440 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.318 -2.305 -0.949 1.00 0.00 C ATOM 0 H ILE A 39 4.499 -0.192 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 39 2.411 -2.107 -4.027 1.00 0.00 H new ATOM 0 HB ILE A 39 4.239 -0.278 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.926 -3.294 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.236 -2.482 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.985 -1.084 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.939 -0.185 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.868 -1.962 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.939 -3.194 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.952 -1.418 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.621 -2.243 -0.113 1.00 0.00 H new ATOM 576 N ILE A 40 0.794 -0.171 -4.403 1.00 0.00 N ATOM 577 CA ILE A 40 -0.115 0.913 -4.752 1.00 0.00 C ATOM 578 C ILE A 40 -1.326 0.841 -3.810 1.00 0.00 C ATOM 579 O ILE A 40 -2.212 0.008 -4.010 1.00 0.00 O ATOM 580 CB ILE A 40 -0.502 0.856 -6.255 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.654 0.730 -7.285 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.268 2.157 -6.568 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.239 -0.672 -7.490 1.00 0.00 C ATOM 0 H ILE A 40 0.346 -1.086 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 40 0.369 1.880 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.074 -0.065 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.294 1.093 -8.248 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.461 1.394 -6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.562 2.163 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.158 2.215 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.626 3.015 -6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.037 -0.629 -8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.641 -1.040 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.456 -1.346 -7.838 1.00 0.00 H new ATOM 595 N ILE A 41 -1.354 1.667 -2.756 1.00 0.00 N ATOM 596 CA ILE A 41 -2.498 1.791 -1.847 1.00 0.00 C ATOM 597 C ILE A 41 -3.679 2.359 -2.622 1.00 0.00 C ATOM 598 O ILE A 41 -3.553 3.392 -3.280 1.00 0.00 O ATOM 599 CB ILE A 41 -2.146 2.670 -0.618 1.00 0.00 C ATOM 600 CG1 ILE A 41 -1.431 1.801 0.426 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.392 3.241 0.085 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.026 1.513 0.120 1.00 0.00 C ATOM 0 H ILE A 41 -0.573 2.275 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.764 0.807 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.532 3.491 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.494 2.296 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.963 0.854 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.083 3.847 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.954 3.859 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.022 2.422 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.448 0.893 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.101 0.987 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.578 2.451 0.060 1.00 0.00 H new ATOM 614 N LEU A 42 -4.834 1.726 -2.444 1.00 0.00 N ATOM 615 CA LEU A 42 -6.149 2.223 -2.796 1.00 0.00 C ATOM 616 C LEU A 42 -6.694 2.918 -1.551 1.00 0.00 C ATOM 617 O LEU A 42 -7.011 2.246 -0.561 1.00 0.00 O ATOM 618 CB LEU A 42 -7.049 1.036 -3.177 1.00 0.00 C ATOM 619 CG LEU A 42 -6.569 0.256 -4.410 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.312 -1.075 -4.467 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.821 1.054 -5.689 1.00 0.00 C ATOM 0 H LEU A 42 -4.874 0.797 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.113 2.911 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.110 0.353 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.058 1.404 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.496 0.081 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.981 -1.640 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.103 -1.647 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.384 -0.891 -4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.473 0.482 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.888 1.250 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.281 2.000 -5.640 1.00 0.00 H new ATOM 633 N ALA A 43 -6.772 4.248 -1.576 1.00 0.00 N ATOM 634 CA ALA A 43 -7.426 5.025 -0.521 1.00 0.00 C ATOM 635 C ALA A 43 -8.218 6.173 -1.149 1.00 0.00 C ATOM 636 O ALA A 43 -8.131 6.410 -2.355 1.00 0.00 O ATOM 637 CB ALA A 43 -6.384 5.540 0.485 1.00 0.00 C ATOM 0 H ALA A 43 -6.384 4.818 -2.328 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.122 4.388 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.884 6.116 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.865 4.694 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.664 6.175 -0.030 1.00 0.00 H new ATOM 643 N THR A 44 -9.004 6.888 -0.347 1.00 0.00 N ATOM 644 CA THR A 44 -9.787 8.013 -0.855 1.00 0.00 C ATOM 645 C THR A 44 -8.947 9.294 -0.925 1.00 0.00 C ATOM 646 O THR A 44 -9.069 10.085 -1.864 1.00 0.00 O ATOM 647 CB THR A 44 -11.047 8.182 0.009 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.774 8.007 1.384 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.111 7.146 -0.344 1.00 0.00 C ATOM 0 H THR A 44 -9.116 6.710 0.651 1.00 0.00 H new ATOM 0 HA THR A 44 -10.099 7.805 -1.878 1.00 0.00 H new ATOM 0 HB THR A 44 -11.398 9.195 -0.191 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.600 8.124 1.899 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.988 7.295 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.394 7.257 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.713 6.145 -0.180 1.00 0.00 H new ATOM 657 N ARG A 45 -8.060 9.522 0.045 1.00 0.00 N ATOM 658 CA ARG A 45 -7.446 10.825 0.297 1.00 0.00 C ATOM 659 C ARG A 45 -5.948 10.691 0.072 1.00 0.00 C ATOM 660 O ARG A 45 -5.141 10.827 0.986 1.00 0.00 O ATOM 661 CB ARG A 45 -7.812 11.328 1.706 1.00 0.00 C ATOM 662 CG ARG A 45 -9.297 11.175 2.071 1.00 0.00 C ATOM 663 CD ARG A 45 -10.252 12.024 1.236 1.00 0.00 C ATOM 664 NE ARG A 45 -11.634 11.942 1.747 1.00 0.00 N ATOM 665 CZ ARG A 45 -12.697 12.528 1.177 1.00 0.00 C ATOM 666 NH1 ARG A 45 -12.553 13.199 0.041 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.903 12.437 1.722 1.00 0.00 N ATOM 0 H ARG A 45 -7.744 8.795 0.687 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.825 11.580 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.213 10.787 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.538 12.380 1.785 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.577 10.127 1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.427 11.434 3.122 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.920 13.062 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.226 11.690 0.199 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.792 11.400 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.635 13.268 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.361 13.645 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.033 11.915 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.700 12.889 1.275 1.00 0.00 H new ATOM 681 N THR A 46 -5.589 10.411 -1.172 1.00 0.00 N ATOM 682 CA THR A 46 -4.242 10.183 -1.677 1.00 0.00 C ATOM 683 C THR A 46 -3.218 11.191 -1.141 1.00 0.00 C ATOM 684 O THR A 46 -2.183 10.775 -0.623 1.00 0.00 O ATOM 685 CB THR A 46 -4.325 10.166 -3.214 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.270 11.134 -3.671 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.832 8.795 -3.674 1.00 0.00 C ATOM 0 H THR A 46 -6.286 10.331 -1.913 1.00 0.00 H new ATOM 0 HA THR A 46 -3.870 9.224 -1.316 1.00 0.00 H new ATOM 0 HB THR A 46 -3.334 10.383 -3.613 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.312 11.114 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.893 8.776 -4.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.144 8.020 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.820 8.612 -3.252 1.00 0.00 H new ATOM 695 N GLN A 47 -3.505 12.499 -1.186 1.00 0.00 N ATOM 696 CA GLN A 47 -2.580 13.510 -0.670 1.00 0.00 C ATOM 697 C GLN A 47 -2.277 13.300 0.821 1.00 0.00 C ATOM 698 O GLN A 47 -1.166 13.562 1.270 1.00 0.00 O ATOM 699 CB GLN A 47 -3.149 14.920 -0.900 1.00 0.00 C ATOM 700 CG GLN A 47 -2.042 15.984 -0.819 1.00 0.00 C ATOM 701 CD GLN A 47 -2.615 17.390 -0.698 1.00 0.00 C ATOM 702 OE1 GLN A 47 -2.952 18.043 -1.684 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.719 17.904 0.511 1.00 0.00 N ATOM 0 H GLN A 47 -4.369 12.878 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.643 13.405 -1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.631 14.966 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.916 15.132 -0.155 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.402 15.778 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.414 15.923 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.437 17.356 1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.081 18.850 0.634 1.00 0.00 H new ATOM 712 N ASN A 48 -3.244 12.825 1.605 1.00 0.00 N ATOM 713 CA ASN A 48 -3.068 12.643 3.041 1.00 0.00 C ATOM 714 C ASN A 48 -2.319 11.343 3.347 1.00 0.00 C ATOM 715 O ASN A 48 -1.526 11.300 4.284 1.00 0.00 O ATOM 716 CB ASN A 48 -4.430 12.679 3.748 1.00 0.00 C ATOM 717 CG ASN A 48 -4.361 13.504 5.030 1.00 0.00 C ATOM 718 OD1 ASN A 48 -3.341 13.586 5.715 1.00 0.00 O ATOM 719 ND2 ASN A 48 -5.425 14.222 5.341 1.00 0.00 N ATOM 0 H ASN A 48 -4.167 12.557 1.262 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.460 13.464 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.179 13.102 3.079 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.749 11.663 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.402 14.845 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.270 14.154 4.773 1.00 0.00 H new ATOM 726 N VAL A 49 -2.509 10.311 2.515 1.00 0.00 N ATOM 727 CA VAL A 49 -1.704 9.089 2.534 1.00 0.00 C ATOM 728 C VAL A 49 -0.244 9.434 2.214 1.00 0.00 C ATOM 729 O VAL A 49 0.662 8.929 2.868 1.00 0.00 O ATOM 730 CB VAL A 49 -2.279 8.053 1.541 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.447 6.765 1.487 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.726 7.674 1.892 1.00 0.00 C ATOM 0 H VAL A 49 -3.237 10.304 1.801 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.738 8.641 3.527 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.247 8.539 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.895 6.072 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.430 7.001 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.424 6.305 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.096 6.944 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.757 7.244 2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.353 8.565 1.860 1.00 0.00 H new ATOM 742 N LEU A 50 -0.004 10.311 1.231 1.00 0.00 N ATOM 743 CA LEU A 50 1.333 10.829 0.958 1.00 0.00 C ATOM 744 C LEU A 50 1.850 11.584 2.183 1.00 0.00 C ATOM 745 O LEU A 50 2.995 11.398 2.602 1.00 0.00 O ATOM 746 CB LEU A 50 1.295 11.767 -0.264 1.00 0.00 C ATOM 747 CG LEU A 50 1.173 11.040 -1.612 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.900 12.042 -2.734 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.481 10.306 -1.902 1.00 0.00 C ATOM 0 H LEU A 50 -0.727 10.676 0.611 1.00 0.00 H new ATOM 0 HA LEU A 50 2.003 9.997 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.454 12.452 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.201 12.373 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 50 0.346 10.332 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.816 11.512 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.031 12.571 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.720 12.758 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.403 9.787 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.300 11.024 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.675 9.582 -1.111 1.00 0.00 H new ATOM 761 N GLY A 51 1.000 12.412 2.777 1.00 0.00 N ATOM 762 CA GLY A 51 1.339 13.289 3.874 1.00 0.00 C ATOM 763 C GLY A 51 2.068 14.526 3.368 1.00 0.00 C ATOM 764 O GLY A 51 2.410 14.654 2.187 1.00 0.00 O ATOM 0 H GLY A 51 0.023 12.489 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.433 13.585 4.403 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.967 12.758 4.590 1.00 0.00 H new ATOM 768 N GLU A 52 2.332 15.450 4.287 1.00 0.00 N ATOM 769 CA GLU A 52 2.980 16.723 4.019 1.00 0.00 C ATOM 770 C GLU A 52 4.349 16.502 3.369 1.00 0.00 C ATOM 771 O GLU A 52 5.247 15.932 3.989 1.00 0.00 O ATOM 772 CB GLU A 52 3.081 17.509 5.330 1.00 0.00 C ATOM 773 CG GLU A 52 3.785 18.854 5.108 1.00 0.00 C ATOM 774 CD GLU A 52 3.752 19.779 6.329 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.160 19.438 7.381 1.00 0.00 O ATOM 776 OE2 GLU A 52 4.346 20.877 6.237 1.00 0.00 O ATOM 0 H GLU A 52 2.091 15.326 5.270 1.00 0.00 H new ATOM 0 HA GLU A 52 2.390 17.305 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.083 17.678 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.630 16.924 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.823 18.669 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.317 19.363 4.265 1.00 0.00 H new ATOM 783 N LYS A 53 4.520 16.933 2.115 1.00 0.00 N ATOM 784 CA LYS A 53 5.750 16.736 1.335 1.00 0.00 C ATOM 785 C LYS A 53 6.124 15.247 1.268 1.00 0.00 C ATOM 786 O LYS A 53 7.304 14.880 1.252 1.00 0.00 O ATOM 787 CB LYS A 53 6.883 17.635 1.866 1.00 0.00 C ATOM 788 CG LYS A 53 6.526 19.130 1.920 1.00 0.00 C ATOM 789 CD LYS A 53 6.448 19.781 0.537 1.00 0.00 C ATOM 790 CE LYS A 53 6.267 21.305 0.583 1.00 0.00 C ATOM 791 NZ LYS A 53 7.548 22.044 0.554 1.00 0.00 N ATOM 0 H LYS A 53 3.796 17.437 1.603 1.00 0.00 H new ATOM 0 HA LYS A 53 5.574 17.047 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.158 17.302 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.762 17.505 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.568 19.250 2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.271 19.653 2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.358 19.548 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.618 19.342 -0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.655 21.618 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.721 21.573 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.360 23.066 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.125 21.771 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.061 21.815 -0.321 1.00 0.00 H new ATOM 805 N GLY A 54 5.125 14.364 1.252 1.00 0.00 N ATOM 806 CA GLY A 54 5.338 12.933 1.177 1.00 0.00 C ATOM 807 C GLY A 54 5.838 12.337 2.495 1.00 0.00 C ATOM 808 O GLY A 54 6.512 11.305 2.464 1.00 0.00 O ATOM 0 H GLY A 54 4.142 14.632 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.405 12.446 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.061 12.719 0.390 1.00 0.00 H new ATOM 812 N ARG A 55 5.611 12.982 3.649 1.00 0.00 N ATOM 813 CA ARG A 55 6.146 12.494 4.924 1.00 0.00 C ATOM 814 C ARG A 55 5.677 11.077 5.224 1.00 0.00 C ATOM 815 O ARG A 55 6.513 10.223 5.517 1.00 0.00 O ATOM 816 CB ARG A 55 5.779 13.434 6.093 1.00 0.00 C ATOM 817 CG ARG A 55 7.000 13.803 6.940 1.00 0.00 C ATOM 818 CD ARG A 55 7.396 12.673 7.897 1.00 0.00 C ATOM 819 NE ARG A 55 8.498 13.060 8.791 1.00 0.00 N ATOM 820 CZ ARG A 55 8.437 13.918 9.814 1.00 0.00 C ATOM 821 NH1 ARG A 55 7.321 14.583 10.090 1.00 0.00 N ATOM 822 NH2 ARG A 55 9.515 14.171 10.546 1.00 0.00 N ATOM 0 H ARG A 55 5.063 13.839 3.723 1.00 0.00 H new ATOM 0 HA ARG A 55 7.231 12.481 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.324 14.342 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.032 12.952 6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.840 14.034 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.785 14.705 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.531 12.385 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.690 11.797 7.319 1.00 0.00 H new ATOM 0 HE ARG A 55 9.404 12.628 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.489 14.443 9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.296 15.233 10.875 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.398 13.709 10.329 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.460 14.827 11.325 1.00 0.00 H new ATOM 836 N ARG A 56 4.360 10.838 5.182 1.00 0.00 N ATOM 837 CA ARG A 56 3.824 9.535 5.549 1.00 0.00 C ATOM 838 C ARG A 56 4.309 8.491 4.562 1.00 0.00 C ATOM 839 O ARG A 56 4.756 7.455 5.032 1.00 0.00 O ATOM 840 CB ARG A 56 2.287 9.535 5.682 1.00 0.00 C ATOM 841 CG ARG A 56 1.836 9.138 7.097 1.00 0.00 C ATOM 842 CD ARG A 56 2.151 10.210 8.151 1.00 0.00 C ATOM 843 NE ARG A 56 2.331 9.616 9.482 1.00 0.00 N ATOM 844 CZ ARG A 56 2.490 10.288 10.628 1.00 0.00 C ATOM 845 NH1 ARG A 56 2.263 11.597 10.707 1.00 0.00 N ATOM 846 NH2 ARG A 56 2.885 9.638 11.711 1.00 0.00 N ATOM 0 H ARG A 56 3.660 11.524 4.901 1.00 0.00 H new ATOM 0 HA ARG A 56 4.199 9.284 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.902 10.526 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.859 8.843 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.763 8.948 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.323 8.205 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.055 10.748 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.342 10.940 8.183 1.00 0.00 H new ATOM 0 HE ARG A 56 2.335 8.598 9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.960 12.113 9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.392 12.084 11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.065 8.635 11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.010 10.140 12.590 1.00 0.00 H new ATOM 860 N ILE A 57 4.301 8.751 3.246 1.00 0.00 N ATOM 861 CA ILE A 57 4.778 7.742 2.298 1.00 0.00 C ATOM 862 C ILE A 57 6.226 7.342 2.604 1.00 0.00 C ATOM 863 O ILE A 57 6.533 6.149 2.603 1.00 0.00 O ATOM 864 CB ILE A 57 4.492 8.119 0.831 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.840 6.958 -0.123 1.00 0.00 C ATOM 866 CG2 ILE A 57 5.167 9.418 0.376 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.960 6.975 -1.378 1.00 0.00 C ATOM 0 H ILE A 57 3.980 9.624 2.827 1.00 0.00 H new ATOM 0 HA ILE A 57 4.193 6.833 2.439 1.00 0.00 H new ATOM 0 HB ILE A 57 3.419 8.308 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.889 7.026 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.714 6.009 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.916 9.612 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.817 10.245 0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.248 9.321 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.234 6.143 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.913 6.881 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.106 7.914 -1.912 1.00 0.00 H new ATOM 879 N ARG A 58 7.121 8.281 2.952 1.00 0.00 N ATOM 880 CA ARG A 58 8.490 7.914 3.301 1.00 0.00 C ATOM 881 C ARG A 58 8.573 7.098 4.590 1.00 0.00 C ATOM 882 O ARG A 58 9.329 6.124 4.628 1.00 0.00 O ATOM 883 CB ARG A 58 9.397 9.148 3.373 1.00 0.00 C ATOM 884 CG ARG A 58 10.759 8.779 2.778 1.00 0.00 C ATOM 885 CD ARG A 58 11.861 9.783 3.122 1.00 0.00 C ATOM 886 NE ARG A 58 11.592 11.100 2.531 1.00 0.00 N ATOM 887 CZ ARG A 58 12.064 12.258 2.990 1.00 0.00 C ATOM 888 NH1 ARG A 58 13.097 12.297 3.828 1.00 0.00 N ATOM 889 NH2 ARG A 58 11.463 13.376 2.620 1.00 0.00 N ATOM 0 H ARG A 58 6.920 9.280 2.997 1.00 0.00 H new ATOM 0 HA ARG A 58 8.850 7.271 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.954 9.978 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.510 9.476 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.050 7.792 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.667 8.708 1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.943 9.879 4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.820 9.410 2.762 1.00 0.00 H new ATOM 0 HE ARG A 58 10.997 11.131 1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.542 11.430 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.444 13.194 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.657 13.339 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.806 14.275 2.958 1.00 0.00 H new ATOM 903 N GLU A 59 7.856 7.482 5.650 1.00 0.00 N ATOM 904 CA GLU A 59 7.814 6.696 6.882 1.00 0.00 C ATOM 905 C GLU A 59 7.315 5.289 6.552 1.00 0.00 C ATOM 906 O GLU A 59 8.020 4.307 6.786 1.00 0.00 O ATOM 907 CB GLU A 59 6.943 7.396 7.938 1.00 0.00 C ATOM 908 CG GLU A 59 7.729 7.803 9.189 1.00 0.00 C ATOM 909 CD GLU A 59 8.191 6.658 10.106 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.861 5.478 9.845 1.00 0.00 O ATOM 911 OE2 GLU A 59 8.902 6.923 11.106 1.00 0.00 O ATOM 0 H GLU A 59 7.296 8.334 5.678 1.00 0.00 H new ATOM 0 HA GLU A 59 8.812 6.612 7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.489 8.283 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.129 6.732 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.608 8.364 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.111 8.483 9.775 1.00 0.00 H new ATOM 918 N LEU A 60 6.146 5.207 5.907 1.00 0.00 N ATOM 919 CA LEU A 60 5.478 3.970 5.526 1.00 0.00 C ATOM 920 C LEU A 60 6.325 3.114 4.587 1.00 0.00 C ATOM 921 O LEU A 60 6.204 1.896 4.641 1.00 0.00 O ATOM 922 CB LEU A 60 4.071 4.224 4.960 1.00 0.00 C ATOM 923 CG LEU A 60 3.076 4.774 6.009 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.680 4.896 5.388 1.00 0.00 C ATOM 925 CD2 LEU A 60 2.962 3.894 7.261 1.00 0.00 C ATOM 0 H LEU A 60 5.623 6.037 5.628 1.00 0.00 H new ATOM 0 HA LEU A 60 5.353 3.393 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.142 4.930 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.679 3.293 4.551 1.00 0.00 H new ATOM 0 HG LEU A 60 3.467 5.745 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.984 5.284 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.718 5.576 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.344 3.915 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.248 4.338 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.620 2.899 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.937 3.819 7.743 1.00 0.00 H new ATOM 937 N THR A 61 7.222 3.697 3.792 1.00 0.00 N ATOM 938 CA THR A 61 8.212 2.955 3.022 1.00 0.00 C ATOM 939 C THR A 61 9.143 2.207 3.972 1.00 0.00 C ATOM 940 O THR A 61 9.243 0.988 3.888 1.00 0.00 O ATOM 941 CB THR A 61 9.000 3.900 2.104 1.00 0.00 C ATOM 942 OG1 THR A 61 8.121 4.564 1.224 1.00 0.00 O ATOM 943 CG2 THR A 61 10.061 3.175 1.275 1.00 0.00 C ATOM 0 H THR A 61 7.280 4.707 3.665 1.00 0.00 H new ATOM 0 HA THR A 61 7.703 2.228 2.389 1.00 0.00 H new ATOM 0 HB THR A 61 9.508 4.610 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.699 5.316 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.585 3.894 0.646 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.774 2.689 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.582 2.425 0.646 1.00 0.00 H new ATOM 951 N ALA A 62 9.841 2.929 4.850 1.00 0.00 N ATOM 952 CA ALA A 62 10.900 2.392 5.692 1.00 0.00 C ATOM 953 C ALA A 62 10.365 1.319 6.638 1.00 0.00 C ATOM 954 O ALA A 62 10.977 0.259 6.774 1.00 0.00 O ATOM 955 CB ALA A 62 11.491 3.547 6.492 1.00 0.00 C ATOM 0 H ALA A 62 9.679 3.925 4.995 1.00 0.00 H new ATOM 0 HA ALA A 62 11.661 1.924 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.289 3.174 7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.894 4.294 5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.713 4.000 7.107 1.00 0.00 H new ATOM 961 N VAL A 63 9.238 1.593 7.295 1.00 0.00 N ATOM 962 CA VAL A 63 8.584 0.649 8.189 1.00 0.00 C ATOM 963 C VAL A 63 8.266 -0.629 7.406 1.00 0.00 C ATOM 964 O VAL A 63 8.666 -1.697 7.866 1.00 0.00 O ATOM 965 CB VAL A 63 7.380 1.322 8.890 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.312 1.716 7.895 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.703 0.490 9.976 1.00 0.00 C ATOM 0 H VAL A 63 8.752 2.486 7.218 1.00 0.00 H new ATOM 0 HA VAL A 63 9.237 0.345 9.007 1.00 0.00 H new ATOM 0 HB VAL A 63 7.829 2.190 9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.481 2.186 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.729 2.419 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.956 0.828 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.873 1.054 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.327 -0.437 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.424 0.258 10.760 1.00 0.00 H new ATOM 977 N VAL A 64 7.627 -0.541 6.228 1.00 0.00 N ATOM 978 CA VAL A 64 7.282 -1.684 5.381 1.00 0.00 C ATOM 979 C VAL A 64 8.550 -2.423 4.985 1.00 0.00 C ATOM 980 O VAL A 64 8.607 -3.640 5.128 1.00 0.00 O ATOM 981 CB VAL A 64 6.472 -1.217 4.143 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.525 -2.153 2.921 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.004 -1.003 4.556 1.00 0.00 C ATOM 0 H VAL A 64 7.331 0.351 5.833 1.00 0.00 H new ATOM 0 HA VAL A 64 6.647 -2.374 5.937 1.00 0.00 H new ATOM 0 HB VAL A 64 6.948 -0.293 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.926 -1.732 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.558 -2.259 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.129 -3.131 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.427 -0.674 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.592 -1.939 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.953 -0.244 5.336 1.00 0.00 H new ATOM 993 N GLN A 65 9.559 -1.706 4.495 1.00 0.00 N ATOM 994 CA GLN A 65 10.809 -2.265 4.017 1.00 0.00 C ATOM 995 C GLN A 65 11.391 -3.235 5.042 1.00 0.00 C ATOM 996 O GLN A 65 11.759 -4.358 4.697 1.00 0.00 O ATOM 997 CB GLN A 65 11.793 -1.130 3.700 1.00 0.00 C ATOM 998 CG GLN A 65 11.998 -0.915 2.200 1.00 0.00 C ATOM 999 CD GLN A 65 13.143 0.064 1.977 1.00 0.00 C ATOM 1000 OE1 GLN A 65 12.957 1.210 1.578 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.354 -0.348 2.288 1.00 0.00 N ATOM 0 H GLN A 65 9.522 -0.689 4.420 1.00 0.00 H new ATOM 0 HA GLN A 65 10.624 -2.828 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.428 -0.205 4.147 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.754 -1.350 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.218 -1.865 1.713 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.083 -0.530 1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.499 -1.302 2.619 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.147 0.287 2.198 1.00 0.00 H new ATOM 1010 N LYS A 66 11.410 -2.820 6.311 1.00 0.00 N ATOM 1011 CA LYS A 66 11.957 -3.606 7.404 1.00 0.00 C ATOM 1012 C LYS A 66 10.993 -4.748 7.699 1.00 0.00 C ATOM 1013 O LYS A 66 11.387 -5.910 7.620 1.00 0.00 O ATOM 1014 CB LYS A 66 12.218 -2.685 8.606 1.00 0.00 C ATOM 1015 CG LYS A 66 13.291 -1.635 8.261 1.00 0.00 C ATOM 1016 CD LYS A 66 13.334 -0.466 9.255 1.00 0.00 C ATOM 1017 CE LYS A 66 13.919 0.790 8.587 1.00 0.00 C ATOM 1018 NZ LYS A 66 15.332 0.641 8.177 1.00 0.00 N ATOM 0 H LYS A 66 11.040 -1.916 6.605 1.00 0.00 H new ATOM 0 HA LYS A 66 12.918 -4.053 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.293 -2.186 8.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.543 -3.277 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.268 -2.118 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.101 -1.246 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.329 -0.255 9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.938 -0.739 10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.320 1.037 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.837 1.630 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.660 1.523 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.916 0.434 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.415 -0.140 7.495 1.00 0.00 H new ATOM 1032 N ARG A 67 9.713 -4.440 7.934 1.00 0.00 N ATOM 1033 CA ARG A 67 8.669 -5.397 8.299 1.00 0.00 C ATOM 1034 C ARG A 67 8.659 -6.587 7.349 1.00 0.00 C ATOM 1035 O ARG A 67 8.778 -7.733 7.787 1.00 0.00 O ATOM 1036 CB ARG A 67 7.299 -4.687 8.323 1.00 0.00 C ATOM 1037 CG ARG A 67 6.332 -5.254 9.374 1.00 0.00 C ATOM 1038 CD ARG A 67 5.156 -6.005 8.736 1.00 0.00 C ATOM 1039 NE ARG A 67 4.246 -6.560 9.749 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.506 -7.562 10.594 1.00 0.00 C ATOM 1041 NH1 ARG A 67 5.537 -8.380 10.401 1.00 0.00 N ATOM 1042 NH2 ARG A 67 3.719 -7.747 11.644 1.00 0.00 N ATOM 0 H ARG A 67 9.366 -3.483 7.872 1.00 0.00 H new ATOM 0 HA ARG A 67 8.879 -5.784 9.296 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.452 -3.626 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.840 -4.768 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.874 -5.928 10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.950 -4.440 9.990 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.604 -5.328 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.537 -6.811 8.109 1.00 0.00 H new ATOM 0 HE ARG A 67 3.320 -6.136 9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.148 -8.249 9.595 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.717 -9.138 11.059 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.924 -7.128 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.908 -8.509 12.295 1.00 0.00 H new ATOM 1056 N PHE A 68 8.534 -6.298 6.056 1.00 0.00 N ATOM 1057 CA PHE A 68 8.351 -7.244 4.966 1.00 0.00 C ATOM 1058 C PHE A 68 9.682 -7.716 4.372 1.00 0.00 C ATOM 1059 O PHE A 68 9.672 -8.503 3.425 1.00 0.00 O ATOM 1060 CB PHE A 68 7.448 -6.576 3.917 1.00 0.00 C ATOM 1061 CG PHE A 68 6.033 -6.393 4.420 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.132 -7.459 4.295 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.626 -5.213 5.068 1.00 0.00 C ATOM 1064 CE1 PHE A 68 3.839 -7.360 4.824 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.331 -5.107 5.599 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.441 -6.190 5.494 1.00 0.00 C ATOM 0 H PHE A 68 8.560 -5.334 5.724 1.00 0.00 H new ATOM 0 HA PHE A 68 7.876 -8.151 5.341 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.864 -5.606 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.435 -7.182 3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.437 -8.362 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.313 -4.385 5.157 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.148 -8.183 4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.019 -4.195 6.087 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.454 -6.123 5.927 1.00 0.00 H new ATOM 1076 N GLY A 69 10.820 -7.266 4.920 1.00 0.00 N ATOM 1077 CA GLY A 69 12.152 -7.655 4.475 1.00 0.00 C ATOM 1078 C GLY A 69 12.297 -7.444 2.976 1.00 0.00 C ATOM 1079 O GLY A 69 12.622 -8.389 2.253 1.00 0.00 O ATOM 0 H GLY A 69 10.833 -6.609 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.904 -7.070 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.332 -8.702 4.720 1.00 0.00 H new ATOM 1083 N PHE A 70 11.958 -6.252 2.487 1.00 0.00 N ATOM 1084 CA PHE A 70 12.162 -5.904 1.088 1.00 0.00 C ATOM 1085 C PHE A 70 13.644 -5.648 0.840 1.00 0.00 C ATOM 1086 O PHE A 70 14.324 -5.142 1.738 1.00 0.00 O ATOM 1087 CB PHE A 70 11.364 -4.647 0.724 1.00 0.00 C ATOM 1088 CG PHE A 70 9.950 -4.971 0.309 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.724 -5.621 -0.918 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.867 -4.672 1.154 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.430 -6.002 -1.286 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.561 -5.015 0.768 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.352 -5.682 -0.452 1.00 0.00 C ATOM 0 H PHE A 70 11.538 -5.509 3.046 1.00 0.00 H new ATOM 0 HA PHE A 70 11.818 -6.732 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.344 -3.971 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.868 -4.121 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.553 -5.827 -1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.039 -4.179 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.263 -6.540 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.723 -4.768 1.404 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.349 -5.950 -0.749 1.00 0.00 H new ATOM 1103 N PRO A 71 14.145 -5.911 -0.373 1.00 0.00 N ATOM 1104 CA PRO A 71 15.402 -5.347 -0.815 1.00 0.00 C ATOM 1105 C PRO A 71 15.257 -3.828 -0.933 1.00 0.00 C ATOM 1106 O PRO A 71 14.368 -3.325 -1.629 1.00 0.00 O ATOM 1107 CB PRO A 71 15.693 -6.029 -2.148 1.00 0.00 C ATOM 1108 CG PRO A 71 14.326 -6.443 -2.685 1.00 0.00 C ATOM 1109 CD PRO A 71 13.543 -6.735 -1.414 1.00 0.00 C ATOM 0 HA PRO A 71 16.229 -5.513 -0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.199 -5.352 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.344 -6.893 -2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.864 -5.649 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.393 -7.319 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.488 -6.493 -1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.599 -7.792 -1.156 1.00 0.00 H new ATOM 1117 N GLU A 72 16.132 -3.095 -0.245 1.00 0.00 N ATOM 1118 CA GLU A 72 16.265 -1.655 -0.424 1.00 0.00 C ATOM 1119 C GLU A 72 16.688 -1.374 -1.874 1.00 0.00 C ATOM 1120 O GLU A 72 17.253 -2.246 -2.541 1.00 0.00 O ATOM 1121 CB GLU A 72 17.254 -1.139 0.632 1.00 0.00 C ATOM 1122 CG GLU A 72 17.286 0.388 0.780 1.00 0.00 C ATOM 1123 CD GLU A 72 17.488 0.775 2.250 1.00 0.00 C ATOM 1124 OE1 GLU A 72 18.550 0.476 2.837 1.00 0.00 O ATOM 1125 OE2 GLU A 72 16.518 1.288 2.864 1.00 0.00 O ATOM 0 H GLU A 72 16.767 -3.485 0.451 1.00 0.00 H new ATOM 0 HA GLU A 72 15.326 -1.123 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.000 -1.580 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.254 -1.488 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.091 0.802 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.355 0.816 0.409 1.00 0.00 H new ATOM 1132 N GLY A 73 16.355 -0.192 -2.394 1.00 0.00 N ATOM 1133 CA GLY A 73 16.489 0.134 -3.811 1.00 0.00 C ATOM 1134 C GLY A 73 15.432 -0.542 -4.696 1.00 0.00 C ATOM 1135 O GLY A 73 15.244 -0.144 -5.846 1.00 0.00 O ATOM 0 H GLY A 73 15.980 0.574 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.419 1.215 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.481 -0.163 -4.152 1.00 0.00 H new ATOM 1139 N SER A 74 14.715 -1.546 -4.187 1.00 0.00 N ATOM 1140 CA SER A 74 13.979 -2.500 -5.002 1.00 0.00 C ATOM 1141 C SER A 74 12.550 -2.720 -4.490 1.00 0.00 C ATOM 1142 O SER A 74 11.931 -3.754 -4.755 1.00 0.00 O ATOM 1143 CB SER A 74 14.825 -3.762 -5.105 1.00 0.00 C ATOM 1144 OG SER A 74 16.012 -3.479 -5.828 1.00 0.00 O ATOM 0 H SER A 74 14.632 -1.717 -3.185 1.00 0.00 H new ATOM 0 HA SER A 74 13.821 -2.114 -6.009 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.072 -4.129 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.262 -4.550 -5.604 1.00 0.00 H new ATOM 0 HG SER A 74 16.557 -4.291 -5.893 1.00 0.00 H new ATOM 1150 N VAL A 75 11.989 -1.697 -3.853 1.00 0.00 N ATOM 1151 CA VAL A 75 10.553 -1.516 -3.656 1.00 0.00 C ATOM 1152 C VAL A 75 10.228 -0.035 -3.903 1.00 0.00 C ATOM 1153 O VAL A 75 11.050 0.831 -3.582 1.00 0.00 O ATOM 1154 CB VAL A 75 10.154 -2.053 -2.258 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.884 -1.390 -1.075 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.646 -1.949 -1.999 1.00 0.00 C ATOM 0 H VAL A 75 12.541 -0.943 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 75 9.954 -2.091 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 75 10.465 -3.097 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.538 -1.832 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.958 -1.548 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.673 -0.321 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.420 -2.338 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.338 -0.905 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.107 -2.529 -2.748 1.00 0.00 H new ATOM 1166 N GLU A 76 9.053 0.269 -4.458 1.00 0.00 N ATOM 1167 CA GLU A 76 8.486 1.616 -4.545 1.00 0.00 C ATOM 1168 C GLU A 76 7.069 1.600 -3.996 1.00 0.00 C ATOM 1169 O GLU A 76 6.338 0.615 -4.154 1.00 0.00 O ATOM 1170 CB GLU A 76 8.431 2.128 -5.993 1.00 0.00 C ATOM 1171 CG GLU A 76 9.621 3.030 -6.333 1.00 0.00 C ATOM 1172 CD GLU A 76 9.468 4.465 -5.817 1.00 0.00 C ATOM 1173 OE1 GLU A 76 8.714 5.254 -6.430 1.00 0.00 O ATOM 1174 OE2 GLU A 76 10.146 4.827 -4.834 1.00 0.00 O ATOM 0 H GLU A 76 8.449 -0.440 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 76 9.130 2.278 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.414 1.279 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.504 2.680 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.528 2.596 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.751 3.053 -7.415 1.00 0.00 H new ATOM 1181 N LEU A 77 6.680 2.729 -3.409 1.00 0.00 N ATOM 1182 CA LEU A 77 5.353 2.972 -2.874 1.00 0.00 C ATOM 1183 C LEU A 77 4.674 4.056 -3.703 1.00 0.00 C ATOM 1184 O LEU A 77 5.272 5.088 -4.009 1.00 0.00 O ATOM 1185 CB LEU A 77 5.408 3.386 -1.390 1.00 0.00 C ATOM 1186 CG LEU A 77 5.492 2.215 -0.390 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.866 1.539 -0.381 1.00 0.00 C ATOM 1188 CD2 LEU A 77 5.155 2.732 1.016 1.00 0.00 C ATOM 0 H LEU A 77 7.307 3.525 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 77 4.779 2.047 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.272 4.034 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.522 3.978 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 77 4.772 1.459 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.865 0.723 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.084 1.145 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.628 2.268 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.212 1.910 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.867 3.508 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.147 3.146 1.019 1.00 0.00 H new ATOM 1200 N TYR A 78 3.394 3.836 -3.993 1.00 0.00 N ATOM 1201 CA TYR A 78 2.482 4.704 -4.719 1.00 0.00 C ATOM 1202 C TYR A 78 1.140 4.777 -3.975 1.00 0.00 C ATOM 1203 O TYR A 78 0.874 3.965 -3.077 1.00 0.00 O ATOM 1204 CB TYR A 78 2.275 4.128 -6.122 1.00 0.00 C ATOM 1205 CG TYR A 78 3.553 3.886 -6.903 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.137 4.956 -7.602 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.181 2.620 -6.909 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.314 4.769 -8.341 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.353 2.425 -7.658 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.911 3.491 -8.403 1.00 0.00 C ATOM 1211 OH TYR A 78 6.985 3.280 -9.213 1.00 0.00 O ATOM 0 H TYR A 78 2.934 2.974 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 78 2.896 5.710 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.733 3.186 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.642 4.810 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.675 5.932 -7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.761 1.805 -6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.763 5.601 -8.862 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.831 1.457 -7.665 1.00 0.00 H new ATOM 0 HH TYR A 78 6.982 2.351 -9.524 1.00 0.00 H new ATOM 1221 N ALA A 79 0.271 5.711 -4.362 1.00 0.00 N ATOM 1222 CA ALA A 79 -1.043 5.965 -3.783 1.00 0.00 C ATOM 1223 C ALA A 79 -2.033 6.286 -4.911 1.00 0.00 C ATOM 1224 O ALA A 79 -1.942 7.353 -5.528 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.944 7.147 -2.806 1.00 0.00 C ATOM 0 H ALA A 79 0.480 6.346 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.393 5.087 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.924 7.342 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.236 6.906 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.602 8.033 -3.341 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.976 5.391 -5.194 1.00 0.00 N ATOM 1232 CA GLU A 80 -4.021 5.576 -6.197 1.00 0.00 C ATOM 1233 C GLU A 80 -5.337 5.889 -5.495 1.00 0.00 C ATOM 1234 O GLU A 80 -5.532 5.524 -4.330 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.203 4.305 -7.033 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.479 4.686 -8.488 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.754 3.483 -9.391 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -3.884 2.587 -9.502 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -5.811 3.517 -10.061 1.00 0.00 O ATOM 0 H GLU A 80 -3.036 4.491 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.730 6.396 -6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.308 3.686 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.028 3.713 -6.638 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.335 5.360 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.624 5.237 -8.880 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.266 6.549 -6.190 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.582 6.767 -5.626 1.00 0.00 C ATOM 1248 C LYS A 81 -8.484 5.575 -5.894 1.00 0.00 C ATOM 1249 O LYS A 81 -8.438 4.970 -6.968 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.198 8.067 -6.139 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.922 8.707 -4.954 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.692 9.979 -5.288 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.755 11.027 -5.892 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.172 12.406 -5.582 1.00 0.00 N ATOM 0 H LYS A 81 -6.128 6.932 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.476 6.868 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.428 8.733 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.892 7.870 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.616 7.979 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.190 8.935 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.495 9.752 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.159 10.376 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.744 10.864 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.719 10.897 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.504 13.076 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.126 12.574 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.181 12.543 -4.551 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.360 5.292 -4.941 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.458 4.354 -5.122 1.00 0.00 C ATOM 1270 C VAL A 82 -11.477 4.974 -6.078 1.00 0.00 C ATOM 1271 O VAL A 82 -11.572 6.207 -6.173 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.100 4.033 -3.762 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -10.110 3.362 -2.811 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -11.713 5.248 -3.081 1.00 0.00 C ATOM 0 H VAL A 82 -9.328 5.711 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.092 3.420 -5.548 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.909 3.339 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.603 3.152 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.758 2.429 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.262 4.026 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.148 4.950 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.940 5.997 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.491 5.669 -3.718 1.00 0.00 H new