USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.4!) USER MOD Single : A 18 THR OG1 : rot 129:sc= 0.207 USER MOD Single : A 20 SER OG : rot 39:sc= 0.427 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= 0.0637 (180deg=0.004) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.18) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.973 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.5) USER MOD Single : A 50 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -140:sc= -1.15 USER MOD Single : A 71 ASN : amide:sc= -0.48 K(o=-0.48,f=-1.5!) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00631) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -0.026 K(o=-0.026,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.109 -14.421 6.287 1.00 0.00 N ATOM 24 CA GLU A 4 3.899 -13.293 6.751 1.00 0.00 C ATOM 25 C GLU A 4 4.697 -12.692 5.593 1.00 0.00 C ATOM 26 O GLU A 4 5.150 -11.551 5.671 1.00 0.00 O ATOM 27 CB GLU A 4 4.823 -13.704 7.898 1.00 0.00 C ATOM 28 CG GLU A 4 5.033 -12.546 8.875 1.00 0.00 C ATOM 29 CD GLU A 4 5.437 -13.062 10.259 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.756 -13.993 10.738 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.419 -12.513 10.804 1.00 0.00 O ATOM 0 HA GLU A 4 3.219 -12.531 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.396 -14.557 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.784 -14.026 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.805 -11.878 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.116 -11.962 8.954 1.00 0.00 H new ATOM 38 N ALA A 5 4.845 -13.487 4.543 1.00 0.00 N ATOM 39 CA ALA A 5 5.581 -13.049 3.370 1.00 0.00 C ATOM 40 C ALA A 5 4.745 -12.022 2.603 1.00 0.00 C ATOM 41 O ALA A 5 5.230 -11.404 1.656 1.00 0.00 O ATOM 42 CB ALA A 5 5.944 -14.262 2.511 1.00 0.00 C ATOM 0 H ALA A 5 4.467 -14.432 4.481 1.00 0.00 H new ATOM 0 HA ALA A 5 6.513 -12.565 3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.496 -13.932 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.562 -14.947 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.033 -14.772 2.198 1.00 0.00 H new ATOM 48 N ILE A 6 3.503 -11.872 3.040 1.00 0.00 N ATOM 49 CA ILE A 6 2.596 -10.930 2.408 1.00 0.00 C ATOM 50 C ILE A 6 2.633 -9.603 3.166 1.00 0.00 C ATOM 51 O ILE A 6 2.804 -8.544 2.565 1.00 0.00 O ATOM 52 CB ILE A 6 1.194 -11.533 2.292 1.00 0.00 C ATOM 53 CG1 ILE A 6 1.023 -12.277 0.967 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.119 -10.462 2.491 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.404 -12.807 0.815 1.00 0.00 C ATOM 0 H ILE A 6 3.104 -12.387 3.824 1.00 0.00 H new ATOM 0 HA ILE A 6 2.915 -10.722 1.387 1.00 0.00 H new ATOM 0 HB ILE A 6 1.071 -12.266 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.257 -11.609 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.730 -13.106 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.868 -10.916 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.227 -10.017 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.231 -9.689 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.498 -13.332 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.626 -13.494 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.106 -11.974 0.840 1.00 0.00 H new ATOM 67 N LYS A 7 2.470 -9.702 4.478 1.00 0.00 N ATOM 68 CA LYS A 7 2.484 -8.522 5.326 1.00 0.00 C ATOM 69 C LYS A 7 3.848 -7.837 5.217 1.00 0.00 C ATOM 70 O LYS A 7 3.935 -6.610 5.243 1.00 0.00 O ATOM 71 CB LYS A 7 2.092 -8.887 6.759 1.00 0.00 C ATOM 72 CG LYS A 7 1.174 -7.822 7.363 1.00 0.00 C ATOM 73 CD LYS A 7 1.534 -7.554 8.825 1.00 0.00 C ATOM 74 CE LYS A 7 0.653 -8.376 9.767 1.00 0.00 C ATOM 75 NZ LYS A 7 0.968 -8.060 11.179 1.00 0.00 N ATOM 0 H LYS A 7 2.328 -10.582 4.974 1.00 0.00 H new ATOM 0 HA LYS A 7 1.738 -7.802 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.589 -9.854 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.988 -8.989 7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.256 -6.899 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.137 -8.149 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.582 -7.799 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.415 -6.493 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.398 -8.167 9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.807 -9.439 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.361 -8.627 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.966 -8.282 11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.799 -7.049 11.355 1.00 0.00 H new ATOM 89 N ASN A 8 4.880 -8.660 5.096 1.00 0.00 N ATOM 90 CA ASN A 8 6.235 -8.149 4.983 1.00 0.00 C ATOM 91 C ASN A 8 6.432 -7.536 3.595 1.00 0.00 C ATOM 92 O ASN A 8 6.768 -6.360 3.474 1.00 0.00 O ATOM 93 CB ASN A 8 7.262 -9.270 5.154 1.00 0.00 C ATOM 94 CG ASN A 8 8.458 -8.796 5.985 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.683 -7.613 6.177 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.209 -9.785 6.463 1.00 0.00 N ATOM 0 H ASN A 8 4.804 -9.677 5.074 1.00 0.00 H new ATOM 0 HA ASN A 8 6.380 -7.404 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.794 -10.126 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.605 -9.606 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.031 -9.574 7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.963 -10.755 6.264 1.00 0.00 H new ATOM 103 N GLY A 9 6.213 -8.363 2.583 1.00 0.00 N ATOM 104 CA GLY A 9 6.361 -7.917 1.208 1.00 0.00 C ATOM 105 C GLY A 9 5.624 -6.596 0.977 1.00 0.00 C ATOM 106 O GLY A 9 6.192 -5.652 0.431 1.00 0.00 O ATOM 0 H GLY A 9 5.934 -9.339 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.418 -7.793 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.972 -8.678 0.531 1.00 0.00 H new ATOM 110 N VAL A 10 4.370 -6.573 1.403 1.00 0.00 N ATOM 111 CA VAL A 10 3.549 -5.384 1.250 1.00 0.00 C ATOM 112 C VAL A 10 4.283 -4.182 1.849 1.00 0.00 C ATOM 113 O VAL A 10 4.414 -3.144 1.202 1.00 0.00 O ATOM 114 CB VAL A 10 2.172 -5.615 1.874 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.536 -4.291 2.303 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.256 -6.377 0.913 1.00 0.00 C ATOM 0 H VAL A 10 3.902 -7.359 1.854 1.00 0.00 H new ATOM 0 HA VAL A 10 3.381 -5.169 0.195 1.00 0.00 H new ATOM 0 HB VAL A 10 2.306 -6.227 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.558 -4.483 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.175 -3.802 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.422 -3.644 1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.283 -6.528 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.132 -5.802 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.700 -7.344 0.677 1.00 0.00 H new ATOM 126 N LEU A 11 4.743 -4.364 3.079 1.00 0.00 N ATOM 127 CA LEU A 11 5.460 -3.307 3.773 1.00 0.00 C ATOM 128 C LEU A 11 6.768 -3.015 3.035 1.00 0.00 C ATOM 129 O LEU A 11 7.091 -1.859 2.770 1.00 0.00 O ATOM 130 CB LEU A 11 5.652 -3.669 5.247 1.00 0.00 C ATOM 131 CG LEU A 11 5.308 -2.572 6.258 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.974 -2.843 7.607 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.665 -1.189 5.708 1.00 0.00 C ATOM 0 H LEU A 11 4.633 -5.227 3.612 1.00 0.00 H new ATOM 0 HA LEU A 11 4.879 -2.385 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.041 -4.544 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.692 -3.960 5.397 1.00 0.00 H new ATOM 0 HG LEU A 11 4.231 -2.584 6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.714 -2.049 8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.628 -3.800 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.056 -2.873 7.479 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.411 -0.428 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.733 -1.146 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.105 -1.007 4.791 1.00 0.00 H new ATOM 145 N ASP A 12 7.486 -4.085 2.725 1.00 0.00 N ATOM 146 CA ASP A 12 8.753 -3.958 2.023 1.00 0.00 C ATOM 147 C ASP A 12 8.536 -3.173 0.729 1.00 0.00 C ATOM 148 O ASP A 12 9.192 -2.158 0.497 1.00 0.00 O ATOM 149 CB ASP A 12 9.318 -5.332 1.655 1.00 0.00 C ATOM 150 CG ASP A 12 10.843 -5.435 1.696 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.464 -4.470 2.191 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.354 -6.478 1.232 1.00 0.00 O ATOM 0 H ASP A 12 7.215 -5.043 2.947 1.00 0.00 H new ATOM 0 HA ASP A 12 9.454 -3.444 2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.900 -6.074 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.978 -5.591 0.652 1.00 0.00 H new ATOM 157 N ILE A 13 7.616 -3.672 -0.083 1.00 0.00 N ATOM 158 CA ILE A 13 7.306 -3.030 -1.349 1.00 0.00 C ATOM 159 C ILE A 13 6.893 -1.579 -1.092 1.00 0.00 C ATOM 160 O ILE A 13 6.937 -0.747 -1.997 1.00 0.00 O ATOM 161 CB ILE A 13 6.260 -3.839 -2.118 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.927 -4.829 -3.075 1.00 0.00 C ATOM 163 CG2 ILE A 13 5.276 -2.916 -2.840 1.00 0.00 C ATOM 164 CD1 ILE A 13 6.217 -6.183 -3.047 1.00 0.00 C ATOM 0 H ILE A 13 7.075 -4.514 0.111 1.00 0.00 H new ATOM 0 HA ILE A 13 8.188 -3.003 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 13 5.685 -4.424 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.911 -4.427 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.974 -4.958 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.543 -3.516 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.765 -2.287 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.818 -2.286 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.712 -6.867 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.256 -6.593 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.177 -6.055 -3.347 1.00 0.00 H new ATOM 176 N LEU A 14 6.503 -1.319 0.148 1.00 0.00 N ATOM 177 CA LEU A 14 6.083 0.017 0.535 1.00 0.00 C ATOM 178 C LEU A 14 7.319 0.864 0.847 1.00 0.00 C ATOM 179 O LEU A 14 7.579 1.861 0.174 1.00 0.00 O ATOM 180 CB LEU A 14 5.076 -0.049 1.685 1.00 0.00 C ATOM 181 CG LEU A 14 3.715 0.599 1.423 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.586 -0.426 1.552 1.00 0.00 C ATOM 183 CD2 LEU A 14 3.498 1.807 2.336 1.00 0.00 C ATOM 0 H LEU A 14 6.469 -2.011 0.897 1.00 0.00 H new ATOM 0 HA LEU A 14 5.560 0.505 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.914 -1.096 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.521 0.427 2.559 1.00 0.00 H new ATOM 0 HG LEU A 14 3.703 0.965 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.629 0.060 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.737 -1.227 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.586 -0.843 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.523 2.249 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.538 1.488 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.278 2.546 2.153 1.00 0.00 H new ATOM 195 N ALA A 15 8.047 0.437 1.869 1.00 0.00 N ATOM 196 CA ALA A 15 9.249 1.144 2.278 1.00 0.00 C ATOM 197 C ALA A 15 10.142 1.374 1.058 1.00 0.00 C ATOM 198 O ALA A 15 10.884 2.353 1.004 1.00 0.00 O ATOM 199 CB ALA A 15 9.957 0.351 3.379 1.00 0.00 C ATOM 0 H ALA A 15 7.828 -0.389 2.426 1.00 0.00 H new ATOM 0 HA ALA A 15 8.998 2.122 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.859 0.881 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.291 0.242 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.227 -0.635 3.001 1.00 0.00 H new ATOM 205 N ASP A 16 10.039 0.456 0.108 1.00 0.00 N ATOM 206 CA ASP A 16 10.828 0.546 -1.109 1.00 0.00 C ATOM 207 C ASP A 16 10.226 1.614 -2.023 1.00 0.00 C ATOM 208 O ASP A 16 10.955 2.358 -2.678 1.00 0.00 O ATOM 209 CB ASP A 16 10.823 -0.783 -1.868 1.00 0.00 C ATOM 210 CG ASP A 16 12.194 -1.446 -2.017 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.881 -1.113 -3.007 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.524 -2.271 -1.138 1.00 0.00 O ATOM 0 H ASP A 16 9.421 -0.354 0.157 1.00 0.00 H new ATOM 0 HA ASP A 16 11.851 0.798 -0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 16 10.155 -1.475 -1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.407 -0.616 -2.861 1.00 0.00 H new ATOM 217 N LEU A 17 8.902 1.657 -2.039 1.00 0.00 N ATOM 218 CA LEU A 17 8.194 2.623 -2.862 1.00 0.00 C ATOM 219 C LEU A 17 8.454 4.032 -2.326 1.00 0.00 C ATOM 220 O LEU A 17 8.837 4.926 -3.079 1.00 0.00 O ATOM 221 CB LEU A 17 6.710 2.264 -2.953 1.00 0.00 C ATOM 222 CG LEU A 17 6.203 1.849 -4.336 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.775 0.380 -4.345 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.081 2.776 -4.809 1.00 0.00 C ATOM 0 H LEU A 17 8.301 1.038 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 17 8.568 2.597 -3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.510 1.450 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.128 3.122 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 17 7.024 1.949 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.419 0.111 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.626 -0.248 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.975 0.230 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.738 2.459 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.251 2.731 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.454 3.799 -4.866 1.00 0.00 H new ATOM 236 N THR A 18 8.235 4.187 -1.028 1.00 0.00 N ATOM 237 CA THR A 18 8.441 5.472 -0.383 1.00 0.00 C ATOM 238 C THR A 18 9.920 5.862 -0.432 1.00 0.00 C ATOM 239 O THR A 18 10.250 7.033 -0.610 1.00 0.00 O ATOM 240 CB THR A 18 7.883 5.382 1.039 1.00 0.00 C ATOM 241 OG1 THR A 18 8.814 4.550 1.725 1.00 0.00 O ATOM 242 CG2 THR A 18 6.568 4.602 1.103 1.00 0.00 C ATOM 0 H THR A 18 7.917 3.444 -0.406 1.00 0.00 H new ATOM 0 HA THR A 18 7.910 6.267 -0.906 1.00 0.00 H new ATOM 0 HB THR A 18 7.729 6.387 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.095 4.989 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.215 4.568 2.134 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.822 5.095 0.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.729 3.587 0.741 1.00 0.00 H new ATOM 250 N GLY A 19 10.769 4.859 -0.270 1.00 0.00 N ATOM 251 CA GLY A 19 12.205 5.082 -0.293 1.00 0.00 C ATOM 252 C GLY A 19 12.744 5.334 1.117 1.00 0.00 C ATOM 253 O GLY A 19 13.834 5.878 1.281 1.00 0.00 O ATOM 0 H GLY A 19 10.491 3.889 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.704 4.216 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.434 5.935 -0.931 1.00 0.00 H new ATOM 257 N SER A 20 11.954 4.926 2.100 1.00 0.00 N ATOM 258 CA SER A 20 12.338 5.100 3.490 1.00 0.00 C ATOM 259 C SER A 20 11.520 4.161 4.380 1.00 0.00 C ATOM 260 O SER A 20 10.475 3.662 3.967 1.00 0.00 O ATOM 261 CB SER A 20 12.148 6.551 3.936 1.00 0.00 C ATOM 262 OG SER A 20 13.338 7.319 3.773 1.00 0.00 O ATOM 0 H SER A 20 11.050 4.475 1.961 1.00 0.00 H new ATOM 0 HA SER A 20 13.395 4.853 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.342 7.005 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.843 6.572 4.982 1.00 0.00 H new ATOM 0 HG SER A 20 13.781 7.063 2.937 1.00 0.00 H new ATOM 268 N ASP A 21 12.029 3.949 5.585 1.00 0.00 N ATOM 269 CA ASP A 21 11.360 3.079 6.537 1.00 0.00 C ATOM 270 C ASP A 21 10.189 3.830 7.172 1.00 0.00 C ATOM 271 O ASP A 21 9.478 3.282 8.013 1.00 0.00 O ATOM 272 CB ASP A 21 12.311 2.652 7.656 1.00 0.00 C ATOM 273 CG ASP A 21 11.915 3.126 9.057 1.00 0.00 C ATOM 274 OD1 ASP A 21 11.716 4.350 9.207 1.00 0.00 O ATOM 275 OD2 ASP A 21 11.820 2.252 9.946 1.00 0.00 O ATOM 0 H ASP A 21 12.897 4.365 5.924 1.00 0.00 H new ATOM 0 HA ASP A 21 11.015 2.195 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.376 1.564 7.662 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.308 3.030 7.429 1.00 0.00 H new ATOM 280 N ASP A 22 10.023 5.073 6.746 1.00 0.00 N ATOM 281 CA ASP A 22 8.951 5.906 7.263 1.00 0.00 C ATOM 282 C ASP A 22 7.700 5.049 7.470 1.00 0.00 C ATOM 283 O ASP A 22 7.082 5.093 8.533 1.00 0.00 O ATOM 284 CB ASP A 22 8.598 7.025 6.280 1.00 0.00 C ATOM 285 CG ASP A 22 9.509 7.118 5.054 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.571 6.113 4.314 1.00 0.00 O ATOM 287 OD2 ASP A 22 10.123 8.193 4.884 1.00 0.00 O ATOM 0 H ASP A 22 10.614 5.524 6.048 1.00 0.00 H new ATOM 0 HA ASP A 22 9.289 6.344 8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.572 6.881 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.628 7.977 6.810 1.00 0.00 H new ATOM 292 N VAL A 23 7.365 4.288 6.439 1.00 0.00 N ATOM 293 CA VAL A 23 6.200 3.421 6.495 1.00 0.00 C ATOM 294 C VAL A 23 6.596 2.082 7.119 1.00 0.00 C ATOM 295 O VAL A 23 5.805 1.468 7.834 1.00 0.00 O ATOM 296 CB VAL A 23 5.590 3.273 5.099 1.00 0.00 C ATOM 297 CG1 VAL A 23 5.140 4.629 4.552 1.00 0.00 C ATOM 298 CG2 VAL A 23 6.571 2.593 4.142 1.00 0.00 C ATOM 0 H VAL A 23 7.880 4.254 5.559 1.00 0.00 H new ATOM 0 HA VAL A 23 5.428 3.859 7.128 1.00 0.00 H new ATOM 0 HB VAL A 23 4.709 2.637 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.710 4.496 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.391 5.059 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.998 5.299 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.113 2.500 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.479 3.192 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.821 1.602 4.521 1.00 0.00 H new ATOM 308 N LYS A 24 7.820 1.667 6.827 1.00 0.00 N ATOM 309 CA LYS A 24 8.331 0.411 7.350 1.00 0.00 C ATOM 310 C LYS A 24 7.881 0.250 8.804 1.00 0.00 C ATOM 311 O LYS A 24 7.649 -0.867 9.265 1.00 0.00 O ATOM 312 CB LYS A 24 9.846 0.329 7.163 1.00 0.00 C ATOM 313 CG LYS A 24 10.399 -0.981 7.728 1.00 0.00 C ATOM 314 CD LYS A 24 11.003 -0.767 9.117 1.00 0.00 C ATOM 315 CE LYS A 24 12.437 -1.297 9.178 1.00 0.00 C ATOM 316 NZ LYS A 24 13.168 -0.688 10.311 1.00 0.00 N ATOM 0 H LYS A 24 8.473 2.179 6.234 1.00 0.00 H new ATOM 0 HA LYS A 24 7.919 -0.430 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.090 0.403 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.323 1.174 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.602 -1.722 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.158 -1.380 7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.993 0.295 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.392 -1.273 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.426 -2.382 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.953 -1.075 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.191 -0.733 10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.878 0.305 10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.949 -1.208 11.185 1.00 0.00 H new ATOM 330 N LYS A 25 7.771 1.380 9.485 1.00 0.00 N ATOM 331 CA LYS A 25 7.354 1.379 10.877 1.00 0.00 C ATOM 332 C LYS A 25 5.867 1.729 10.960 1.00 0.00 C ATOM 333 O LYS A 25 5.024 0.844 11.101 1.00 0.00 O ATOM 334 CB LYS A 25 8.250 2.301 11.707 1.00 0.00 C ATOM 335 CG LYS A 25 7.893 2.219 13.192 1.00 0.00 C ATOM 336 CD LYS A 25 6.931 3.342 13.587 1.00 0.00 C ATOM 337 CE LYS A 25 6.954 3.577 15.099 1.00 0.00 C ATOM 338 NZ LYS A 25 5.629 3.281 15.689 1.00 0.00 N ATOM 0 H LYS A 25 7.964 2.304 9.099 1.00 0.00 H new ATOM 0 HA LYS A 25 7.473 0.385 11.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.295 2.024 11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.142 3.328 11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.438 1.252 13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.801 2.285 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.206 4.260 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.920 3.088 13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.713 2.945 15.560 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.229 4.611 15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.661 3.445 16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.912 3.901 15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.381 2.288 15.505 1.00 0.00 H new ATOM 352 N ASN A 26 5.590 3.022 10.867 1.00 0.00 N ATOM 353 CA ASN A 26 4.219 3.499 10.930 1.00 0.00 C ATOM 354 C ASN A 26 3.325 2.580 10.095 1.00 0.00 C ATOM 355 O ASN A 26 3.795 1.930 9.162 1.00 0.00 O ATOM 356 CB ASN A 26 4.103 4.916 10.362 1.00 0.00 C ATOM 357 CG ASN A 26 3.972 5.948 11.484 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.889 6.693 11.786 1.00 0.00 O ATOM 359 ND2 ASN A 26 2.785 5.948 12.082 1.00 0.00 N ATOM 0 H ASN A 26 6.291 3.753 10.749 1.00 0.00 H new ATOM 0 HA ASN A 26 3.910 3.503 11.975 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.981 5.142 9.756 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.237 4.978 9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.598 6.599 12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.061 5.297 11.779 1.00 0.00 H new ATOM 366 N LEU A 27 2.052 2.557 10.460 1.00 0.00 N ATOM 367 CA LEU A 27 1.087 1.729 9.756 1.00 0.00 C ATOM 368 C LEU A 27 -0.123 2.580 9.368 1.00 0.00 C ATOM 369 O LEU A 27 -1.146 2.051 8.936 1.00 0.00 O ATOM 370 CB LEU A 27 0.730 0.496 10.590 1.00 0.00 C ATOM 371 CG LEU A 27 1.909 -0.278 11.181 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.905 -0.201 12.709 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.922 -1.724 10.681 1.00 0.00 C ATOM 0 H LEU A 27 1.666 3.098 11.234 1.00 0.00 H new ATOM 0 HA LEU A 27 1.517 1.346 8.830 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.081 0.810 11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.150 -0.185 9.966 1.00 0.00 H new ATOM 0 HG LEU A 27 2.831 0.190 10.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.754 -0.760 13.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.980 0.841 13.021 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.979 -0.629 13.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.770 -2.252 11.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.997 -2.219 10.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.008 -1.733 9.594 1.00 0.00 H new ATOM 385 N ASP A 28 0.033 3.886 9.537 1.00 0.00 N ATOM 386 CA ASP A 28 -1.034 4.815 9.210 1.00 0.00 C ATOM 387 C ASP A 28 -0.427 6.115 8.680 1.00 0.00 C ATOM 388 O ASP A 28 -1.018 7.185 8.822 1.00 0.00 O ATOM 389 CB ASP A 28 -1.869 5.153 10.447 1.00 0.00 C ATOM 390 CG ASP A 28 -3.295 4.600 10.435 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.466 3.480 9.908 1.00 0.00 O ATOM 392 OD2 ASP A 28 -4.183 5.310 10.954 1.00 0.00 O ATOM 0 H ASP A 28 0.883 4.321 9.896 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.672 4.345 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.355 4.772 11.329 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.917 6.237 10.550 1.00 0.00 H new ATOM 397 N LEU A 29 0.746 5.981 8.077 1.00 0.00 N ATOM 398 CA LEU A 29 1.439 7.132 7.525 1.00 0.00 C ATOM 399 C LEU A 29 0.821 7.495 6.174 1.00 0.00 C ATOM 400 O LEU A 29 1.164 6.904 5.152 1.00 0.00 O ATOM 401 CB LEU A 29 2.946 6.871 7.461 1.00 0.00 C ATOM 402 CG LEU A 29 3.817 8.060 7.056 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.525 9.278 7.935 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.300 7.685 7.071 1.00 0.00 C ATOM 0 H LEU A 29 1.233 5.093 7.959 1.00 0.00 H new ATOM 0 HA LEU A 29 1.316 7.998 8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.276 6.522 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.124 6.059 6.756 1.00 0.00 H new ATOM 0 HG LEU A 29 3.565 8.334 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.158 10.110 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.477 9.560 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.731 9.033 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.897 8.549 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.585 7.369 8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.476 6.869 6.370 1.00 0.00 H new ATOM 416 N ASN A 30 -0.080 8.465 6.213 1.00 0.00 N ATOM 417 CA ASN A 30 -0.751 8.914 5.004 1.00 0.00 C ATOM 418 C ASN A 30 0.261 8.974 3.858 1.00 0.00 C ATOM 419 O ASN A 30 0.998 9.950 3.726 1.00 0.00 O ATOM 420 CB ASN A 30 -1.340 10.314 5.189 1.00 0.00 C ATOM 421 CG ASN A 30 -2.213 10.381 6.443 1.00 0.00 C ATOM 422 OD1 ASN A 30 -2.067 11.250 7.286 1.00 0.00 O ATOM 423 ND2 ASN A 30 -3.125 9.417 6.519 1.00 0.00 N ATOM 0 H ASN A 30 -0.362 8.953 7.063 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.554 8.211 4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.534 11.044 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.933 10.581 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.756 9.374 7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.193 8.720 5.777 1.00 0.00 H new ATOM 430 N LEU A 31 0.264 7.918 3.058 1.00 0.00 N ATOM 431 CA LEU A 31 1.173 7.839 1.928 1.00 0.00 C ATOM 432 C LEU A 31 0.984 9.069 1.039 1.00 0.00 C ATOM 433 O LEU A 31 1.869 9.418 0.260 1.00 0.00 O ATOM 434 CB LEU A 31 0.992 6.511 1.187 1.00 0.00 C ATOM 435 CG LEU A 31 1.076 5.247 2.045 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.254 4.112 1.431 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.531 4.840 2.280 1.00 0.00 C ATOM 0 H LEU A 31 -0.349 7.110 3.170 1.00 0.00 H new ATOM 0 HA LEU A 31 2.208 7.849 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.022 6.525 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.750 6.447 0.406 1.00 0.00 H new ATOM 0 HG LEU A 31 0.642 5.466 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.331 3.225 2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.790 4.417 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.635 3.884 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.562 3.939 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.013 4.645 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.056 5.646 2.793 1.00 0.00 H new ATOM 449 N PHE A 32 -0.176 9.693 1.185 1.00 0.00 N ATOM 450 CA PHE A 32 -0.492 10.877 0.405 1.00 0.00 C ATOM 451 C PHE A 32 -0.115 12.150 1.165 1.00 0.00 C ATOM 452 O PHE A 32 0.603 13.000 0.640 1.00 0.00 O ATOM 453 CB PHE A 32 -2.005 10.867 0.170 1.00 0.00 C ATOM 454 CG PHE A 32 -2.465 9.850 -0.876 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.076 9.985 -2.173 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.262 8.811 -0.511 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.503 9.041 -3.144 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.690 7.867 -1.482 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.301 8.003 -2.778 1.00 0.00 C ATOM 0 H PHE A 32 -0.908 9.401 1.832 1.00 0.00 H new ATOM 0 HA PHE A 32 0.066 10.866 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.508 10.655 1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.320 11.862 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.443 10.810 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.570 8.703 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.194 9.148 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.324 7.042 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.626 7.286 -3.517 1.00 0.00 H new ATOM 469 N GLU A 33 -0.615 12.242 2.388 1.00 0.00 N ATOM 470 CA GLU A 33 -0.340 13.397 3.224 1.00 0.00 C ATOM 471 C GLU A 33 1.123 13.391 3.673 1.00 0.00 C ATOM 472 O GLU A 33 1.597 14.356 4.269 1.00 0.00 O ATOM 473 CB GLU A 33 -1.282 13.439 4.430 1.00 0.00 C ATOM 474 CG GLU A 33 -1.886 14.834 4.605 1.00 0.00 C ATOM 475 CD GLU A 33 -2.821 14.879 5.815 1.00 0.00 C ATOM 476 OE1 GLU A 33 -2.319 14.624 6.930 1.00 0.00 O ATOM 477 OE2 GLU A 33 -4.017 15.167 5.596 1.00 0.00 O ATOM 0 H GLU A 33 -1.209 11.535 2.820 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.516 14.297 2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.079 12.707 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.737 13.159 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.088 15.566 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.436 15.112 3.706 1.00 0.00 H new ATOM 484 N THR A 34 1.796 12.291 3.370 1.00 0.00 N ATOM 485 CA THR A 34 3.196 12.146 3.735 1.00 0.00 C ATOM 486 C THR A 34 4.094 12.439 2.531 1.00 0.00 C ATOM 487 O THR A 34 5.300 12.625 2.682 1.00 0.00 O ATOM 488 CB THR A 34 3.391 10.742 4.311 1.00 0.00 C ATOM 489 OG1 THR A 34 2.532 10.710 5.448 1.00 0.00 O ATOM 490 CG2 THR A 34 4.790 10.539 4.896 1.00 0.00 C ATOM 0 H THR A 34 1.399 11.492 2.876 1.00 0.00 H new ATOM 0 HA THR A 34 3.483 12.869 4.498 1.00 0.00 H new ATOM 0 HB THR A 34 3.212 10.002 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.622 10.484 5.164 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.876 9.527 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.536 10.688 4.115 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.956 11.257 5.699 1.00 0.00 H new ATOM 498 N GLY A 35 3.471 12.470 1.362 1.00 0.00 N ATOM 499 CA GLY A 35 4.197 12.738 0.133 1.00 0.00 C ATOM 500 C GLY A 35 5.023 11.520 -0.291 1.00 0.00 C ATOM 501 O GLY A 35 5.982 11.650 -1.050 1.00 0.00 O ATOM 0 H GLY A 35 2.470 12.314 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.495 13.000 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.854 13.597 0.274 1.00 0.00 H new ATOM 505 N LEU A 36 4.619 10.365 0.217 1.00 0.00 N ATOM 506 CA LEU A 36 5.308 9.127 -0.100 1.00 0.00 C ATOM 507 C LEU A 36 4.844 8.625 -1.469 1.00 0.00 C ATOM 508 O LEU A 36 5.604 7.981 -2.189 1.00 0.00 O ATOM 509 CB LEU A 36 5.122 8.107 1.026 1.00 0.00 C ATOM 510 CG LEU A 36 5.750 8.471 2.372 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.364 7.457 3.449 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.267 8.624 2.246 1.00 0.00 C ATOM 0 H LEU A 36 3.823 10.261 0.846 1.00 0.00 H new ATOM 0 HA LEU A 36 6.382 9.296 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.054 7.952 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.539 7.155 0.699 1.00 0.00 H new ATOM 0 HG LEU A 36 5.354 9.438 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.824 7.739 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.280 7.441 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.713 6.466 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.688 8.883 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.700 7.685 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.495 9.413 1.530 1.00 0.00 H new ATOM 524 N LEU A 37 3.596 8.937 -1.786 1.00 0.00 N ATOM 525 CA LEU A 37 3.020 8.527 -3.055 1.00 0.00 C ATOM 526 C LEU A 37 2.300 9.716 -3.692 1.00 0.00 C ATOM 527 O LEU A 37 2.046 10.721 -3.031 1.00 0.00 O ATOM 528 CB LEU A 37 2.129 7.297 -2.865 1.00 0.00 C ATOM 529 CG LEU A 37 2.096 6.306 -4.031 1.00 0.00 C ATOM 530 CD1 LEU A 37 3.375 5.466 -4.072 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.840 5.436 -3.975 1.00 0.00 C ATOM 0 H LEU A 37 2.967 9.470 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 37 3.803 8.221 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.461 6.767 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.111 7.636 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 37 2.053 6.873 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.326 4.770 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.237 6.122 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.473 4.907 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.841 4.741 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.827 4.876 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.045 6.070 -4.031 1.00 0.00 H new ATOM 543 N ASP A 38 1.991 9.563 -4.972 1.00 0.00 N ATOM 544 CA ASP A 38 1.304 10.613 -5.707 1.00 0.00 C ATOM 545 C ASP A 38 0.090 10.018 -6.423 1.00 0.00 C ATOM 546 O ASP A 38 -1.026 10.512 -6.275 1.00 0.00 O ATOM 547 CB ASP A 38 2.220 11.233 -6.764 1.00 0.00 C ATOM 548 CG ASP A 38 2.873 12.557 -6.358 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.133 13.563 -6.313 1.00 0.00 O ATOM 550 OD2 ASP A 38 4.095 12.531 -6.102 1.00 0.00 O ATOM 0 H ASP A 38 2.203 8.728 -5.519 1.00 0.00 H new ATOM 0 HA ASP A 38 1.002 11.381 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.005 10.517 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.642 11.394 -7.674 1.00 0.00 H new ATOM 555 N SER A 39 0.350 8.964 -7.184 1.00 0.00 N ATOM 556 CA SER A 39 -0.707 8.297 -7.923 1.00 0.00 C ATOM 557 C SER A 39 -0.124 7.150 -8.752 1.00 0.00 C ATOM 558 O SER A 39 -0.415 5.983 -8.495 1.00 0.00 O ATOM 559 CB SER A 39 -1.452 9.280 -8.828 1.00 0.00 C ATOM 560 OG SER A 39 -2.412 8.624 -9.653 1.00 0.00 O ATOM 0 H SER A 39 1.277 8.556 -7.304 1.00 0.00 H new ATOM 0 HA SER A 39 -1.421 7.892 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.953 10.029 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.735 9.809 -9.456 1.00 0.00 H new ATOM 0 HG SER A 39 -2.867 9.286 -10.214 1.00 0.00 H new ATOM 566 N MET A 40 0.690 7.523 -9.729 1.00 0.00 N ATOM 567 CA MET A 40 1.317 6.541 -10.596 1.00 0.00 C ATOM 568 C MET A 40 1.935 5.404 -9.780 1.00 0.00 C ATOM 569 O MET A 40 2.094 4.291 -10.280 1.00 0.00 O ATOM 570 CB MET A 40 2.404 7.219 -11.433 1.00 0.00 C ATOM 571 CG MET A 40 2.658 6.448 -12.730 1.00 0.00 C ATOM 572 SD MET A 40 2.242 7.467 -14.136 1.00 0.00 S ATOM 573 CE MET A 40 0.480 7.186 -14.211 1.00 0.00 C ATOM 0 H MET A 40 0.929 8.492 -9.939 1.00 0.00 H new ATOM 0 HA MET A 40 0.553 6.120 -11.249 1.00 0.00 H new ATOM 0 HB2 MET A 40 2.104 8.241 -11.666 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.327 7.281 -10.856 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.704 6.147 -12.785 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.063 5.535 -12.743 1.00 0.00 H new ATOM 0 HE1 MET A 40 0.056 7.753 -15.040 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.287 6.124 -14.361 1.00 0.00 H new ATOM 0 HE3 MET A 40 0.020 7.510 -13.278 1.00 0.00 H new ATOM 583 N GLY A 41 2.268 5.723 -8.537 1.00 0.00 N ATOM 584 CA GLY A 41 2.865 4.742 -7.648 1.00 0.00 C ATOM 585 C GLY A 41 1.901 3.584 -7.382 1.00 0.00 C ATOM 586 O GLY A 41 2.253 2.421 -7.574 1.00 0.00 O ATOM 0 H GLY A 41 2.135 6.647 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.786 4.359 -8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.136 5.218 -6.706 1.00 0.00 H new ATOM 590 N THR A 42 0.703 3.942 -6.944 1.00 0.00 N ATOM 591 CA THR A 42 -0.315 2.947 -6.649 1.00 0.00 C ATOM 592 C THR A 42 -0.415 1.934 -7.791 1.00 0.00 C ATOM 593 O THR A 42 -0.606 0.742 -7.552 1.00 0.00 O ATOM 594 CB THR A 42 -1.628 3.682 -6.372 1.00 0.00 C ATOM 595 OG1 THR A 42 -2.232 2.929 -5.325 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.618 3.569 -7.533 1.00 0.00 C ATOM 0 H THR A 42 0.414 4.907 -6.786 1.00 0.00 H new ATOM 0 HA THR A 42 -0.057 2.367 -5.763 1.00 0.00 H new ATOM 0 HB THR A 42 -1.421 4.734 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.089 3.337 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.533 4.108 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.176 3.999 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.852 2.519 -7.711 1.00 0.00 H new ATOM 604 N VAL A 43 -0.282 2.444 -9.006 1.00 0.00 N ATOM 605 CA VAL A 43 -0.355 1.597 -10.185 1.00 0.00 C ATOM 606 C VAL A 43 0.694 0.489 -10.078 1.00 0.00 C ATOM 607 O VAL A 43 0.490 -0.614 -10.580 1.00 0.00 O ATOM 608 CB VAL A 43 -0.202 2.446 -11.449 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.356 1.589 -12.707 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.198 3.609 -11.453 1.00 0.00 C ATOM 0 H VAL A 43 -0.124 3.433 -9.200 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.331 1.115 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 43 0.804 2.866 -11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.243 2.217 -13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.408 0.812 -12.714 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.343 1.127 -12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.068 4.196 -12.362 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.215 3.218 -11.416 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.021 4.242 -10.584 1.00 0.00 H new ATOM 620 N GLN A 44 1.795 0.823 -9.421 1.00 0.00 N ATOM 621 CA GLN A 44 2.877 -0.130 -9.242 1.00 0.00 C ATOM 622 C GLN A 44 2.471 -1.213 -8.240 1.00 0.00 C ATOM 623 O GLN A 44 2.286 -2.370 -8.613 1.00 0.00 O ATOM 624 CB GLN A 44 4.160 0.574 -8.797 1.00 0.00 C ATOM 625 CG GLN A 44 5.310 -0.424 -8.645 1.00 0.00 C ATOM 626 CD GLN A 44 6.644 0.212 -9.041 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.844 1.411 -8.939 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.543 -0.656 -9.496 1.00 0.00 N ATOM 0 H GLN A 44 1.961 1.740 -9.006 1.00 0.00 H new ATOM 0 HA GLN A 44 3.077 -0.607 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.431 1.338 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.989 1.084 -7.849 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.361 -0.771 -7.613 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.121 -1.299 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.310 -1.647 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.465 -0.330 -9.785 1.00 0.00 H new ATOM 637 N LEU A 45 2.344 -0.798 -6.989 1.00 0.00 N ATOM 638 CA LEU A 45 1.963 -1.718 -5.931 1.00 0.00 C ATOM 639 C LEU A 45 0.864 -2.652 -6.444 1.00 0.00 C ATOM 640 O LEU A 45 0.938 -3.866 -6.256 1.00 0.00 O ATOM 641 CB LEU A 45 1.573 -0.949 -4.666 1.00 0.00 C ATOM 642 CG LEU A 45 1.163 0.511 -4.868 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.045 0.904 -3.899 1.00 0.00 C ATOM 644 CD2 LEU A 45 2.372 1.441 -4.757 1.00 0.00 C ATOM 0 H LEU A 45 2.498 0.163 -6.684 1.00 0.00 H new ATOM 0 HA LEU A 45 2.809 -2.344 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.748 -1.474 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.415 -0.977 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 45 0.767 0.619 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.229 1.946 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.825 0.269 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.391 0.776 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.052 2.473 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.821 1.338 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.106 1.176 -5.518 1.00 0.00 H new ATOM 656 N LEU A 46 -0.129 -2.051 -7.081 1.00 0.00 N ATOM 657 CA LEU A 46 -1.241 -2.814 -7.623 1.00 0.00 C ATOM 658 C LEU A 46 -0.699 -3.979 -8.453 1.00 0.00 C ATOM 659 O LEU A 46 -1.158 -5.111 -8.314 1.00 0.00 O ATOM 660 CB LEU A 46 -2.193 -1.899 -8.397 1.00 0.00 C ATOM 661 CG LEU A 46 -3.603 -1.759 -7.823 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.525 -1.029 -8.802 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.167 -3.121 -7.413 1.00 0.00 C ATOM 0 H LEU A 46 -0.187 -1.044 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.835 -3.245 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.745 -0.907 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.273 -2.272 -9.418 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.544 -1.150 -6.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.521 -0.943 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.129 -0.033 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.582 -1.590 -9.735 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.171 -2.992 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.208 -3.775 -8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.524 -3.568 -6.654 1.00 0.00 H new ATOM 675 N LEU A 47 0.273 -3.661 -9.296 1.00 0.00 N ATOM 676 CA LEU A 47 0.883 -4.667 -10.148 1.00 0.00 C ATOM 677 C LEU A 47 1.655 -5.664 -9.281 1.00 0.00 C ATOM 678 O LEU A 47 1.899 -6.796 -9.696 1.00 0.00 O ATOM 679 CB LEU A 47 1.736 -4.006 -11.232 1.00 0.00 C ATOM 680 CG LEU A 47 1.616 -4.601 -12.637 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.027 -6.074 -12.646 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.208 -4.396 -13.200 1.00 0.00 C ATOM 0 H LEU A 47 0.653 -2.721 -9.407 1.00 0.00 H new ATOM 0 HA LEU A 47 0.116 -5.232 -10.678 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.470 -2.950 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.781 -4.057 -10.926 1.00 0.00 H new ATOM 0 HG LEU A 47 2.306 -4.070 -13.293 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.932 -6.472 -13.656 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.062 -6.165 -12.316 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.380 -6.636 -11.972 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.149 -4.828 -14.199 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.518 -4.884 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.011 -3.330 -13.252 1.00 0.00 H new ATOM 694 N GLU A 48 2.019 -5.206 -8.092 1.00 0.00 N ATOM 695 CA GLU A 48 2.759 -6.043 -7.162 1.00 0.00 C ATOM 696 C GLU A 48 1.795 -6.781 -6.230 1.00 0.00 C ATOM 697 O GLU A 48 2.169 -7.770 -5.602 1.00 0.00 O ATOM 698 CB GLU A 48 3.769 -5.217 -6.364 1.00 0.00 C ATOM 699 CG GLU A 48 5.091 -5.970 -6.207 1.00 0.00 C ATOM 700 CD GLU A 48 5.668 -6.356 -7.570 1.00 0.00 C ATOM 701 OE1 GLU A 48 6.400 -5.514 -8.135 1.00 0.00 O ATOM 702 OE2 GLU A 48 5.365 -7.483 -8.015 1.00 0.00 O ATOM 0 H GLU A 48 1.815 -4.266 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 48 3.318 -6.783 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.945 -4.266 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.359 -4.986 -5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.806 -5.348 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.934 -6.867 -5.608 1.00 0.00 H new ATOM 709 N LEU A 49 0.574 -6.270 -6.169 1.00 0.00 N ATOM 710 CA LEU A 49 -0.446 -6.867 -5.324 1.00 0.00 C ATOM 711 C LEU A 49 -1.267 -7.861 -6.148 1.00 0.00 C ATOM 712 O LEU A 49 -1.968 -8.704 -5.591 1.00 0.00 O ATOM 713 CB LEU A 49 -1.288 -5.781 -4.652 1.00 0.00 C ATOM 714 CG LEU A 49 -0.602 -4.998 -3.531 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.543 -3.946 -2.941 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.053 -5.941 -2.458 1.00 0.00 C ATOM 0 H LEU A 49 0.268 -5.449 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 49 0.014 -7.429 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.611 -5.074 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.187 -6.245 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 49 0.248 -4.467 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.030 -3.404 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.843 -3.247 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.427 -4.436 -2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.429 -5.358 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.871 -6.520 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.674 -6.618 -2.906 1.00 0.00 H new ATOM 728 N GLN A 50 -1.152 -7.729 -7.461 1.00 0.00 N ATOM 729 CA GLN A 50 -1.875 -8.605 -8.367 1.00 0.00 C ATOM 730 C GLN A 50 -0.935 -9.665 -8.944 1.00 0.00 C ATOM 731 O GLN A 50 -1.243 -10.287 -9.960 1.00 0.00 O ATOM 732 CB GLN A 50 -2.548 -7.803 -9.483 1.00 0.00 C ATOM 733 CG GLN A 50 -3.620 -8.637 -10.188 1.00 0.00 C ATOM 734 CD GLN A 50 -4.722 -7.743 -10.760 1.00 0.00 C ATOM 735 OE1 GLN A 50 -5.155 -6.779 -10.151 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.149 -8.116 -11.964 1.00 0.00 N ATOM 0 H GLN A 50 -0.569 -7.029 -7.919 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.659 -9.111 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.998 -6.902 -9.067 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.799 -7.480 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.165 -9.218 -10.990 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.053 -9.349 -9.485 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.743 -8.934 -12.418 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.882 -7.584 -12.433 1.00 0.00 H new ATOM 745 N SER A 51 0.193 -9.839 -8.272 1.00 0.00 N ATOM 746 CA SER A 51 1.180 -10.813 -8.704 1.00 0.00 C ATOM 747 C SER A 51 1.525 -11.756 -7.550 1.00 0.00 C ATOM 748 O SER A 51 1.323 -12.965 -7.650 1.00 0.00 O ATOM 749 CB SER A 51 2.444 -10.124 -9.222 1.00 0.00 C ATOM 750 OG SER A 51 3.082 -10.880 -10.247 1.00 0.00 O ATOM 0 H SER A 51 0.446 -9.321 -7.430 1.00 0.00 H new ATOM 0 HA SER A 51 0.753 -11.392 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.187 -9.137 -9.606 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.139 -9.974 -8.396 1.00 0.00 H new ATOM 0 HG SER A 51 3.884 -10.406 -10.552 1.00 0.00 H new ATOM 756 N GLN A 52 2.039 -11.168 -6.480 1.00 0.00 N ATOM 757 CA GLN A 52 2.414 -11.940 -5.308 1.00 0.00 C ATOM 758 C GLN A 52 1.186 -12.210 -4.435 1.00 0.00 C ATOM 759 O GLN A 52 1.174 -13.158 -3.652 1.00 0.00 O ATOM 760 CB GLN A 52 3.510 -11.231 -4.510 1.00 0.00 C ATOM 761 CG GLN A 52 4.790 -11.095 -5.337 1.00 0.00 C ATOM 762 CD GLN A 52 5.717 -12.291 -5.111 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.469 -13.396 -5.564 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.796 -12.009 -4.387 1.00 0.00 N ATOM 0 H GLN A 52 2.205 -10.165 -6.400 1.00 0.00 H new ATOM 0 HA GLN A 52 2.816 -12.897 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.163 -10.244 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.720 -11.790 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.538 -11.020 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.306 -10.174 -5.067 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.943 -11.062 -4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.477 -12.740 -4.181 1.00 0.00 H new ATOM 773 N PHE A 53 0.185 -11.358 -4.600 1.00 0.00 N ATOM 774 CA PHE A 53 -1.044 -11.492 -3.837 1.00 0.00 C ATOM 775 C PHE A 53 -2.256 -11.610 -4.764 1.00 0.00 C ATOM 776 O PHE A 53 -3.379 -11.806 -4.303 1.00 0.00 O ATOM 777 CB PHE A 53 -1.185 -10.226 -2.989 1.00 0.00 C ATOM 778 CG PHE A 53 0.131 -9.736 -2.381 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.097 -9.215 -3.183 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.332 -9.820 -1.039 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.319 -8.759 -2.618 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.552 -9.363 -0.474 1.00 0.00 C ATOM 783 CZ PHE A 53 2.520 -8.843 -1.276 1.00 0.00 C ATOM 0 H PHE A 53 0.200 -10.573 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.003 -12.391 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.606 -9.432 -3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.896 -10.416 -2.185 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.936 -9.148 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.436 -10.234 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.088 -8.346 -3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.711 -9.428 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.448 -8.497 -0.847 1.00 0.00 H new ATOM 793 N GLY A 54 -1.987 -11.482 -6.055 1.00 0.00 N ATOM 794 CA GLY A 54 -3.040 -11.570 -7.052 1.00 0.00 C ATOM 795 C GLY A 54 -4.335 -10.938 -6.537 1.00 0.00 C ATOM 796 O GLY A 54 -5.401 -11.548 -6.614 1.00 0.00 O ATOM 0 H GLY A 54 -1.054 -11.318 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.724 -11.067 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.217 -12.615 -7.308 1.00 0.00 H new ATOM 800 N VAL A 55 -4.201 -9.725 -6.023 1.00 0.00 N ATOM 801 CA VAL A 55 -5.346 -9.004 -5.496 1.00 0.00 C ATOM 802 C VAL A 55 -6.113 -8.357 -6.651 1.00 0.00 C ATOM 803 O VAL A 55 -5.572 -8.192 -7.743 1.00 0.00 O ATOM 804 CB VAL A 55 -4.890 -7.994 -4.442 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.378 -6.710 -5.099 1.00 0.00 C ATOM 806 CG2 VAL A 55 -6.013 -7.690 -3.449 1.00 0.00 C ATOM 0 H VAL A 55 -3.315 -9.223 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.030 -9.689 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.065 -8.440 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.060 -6.008 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.533 -6.945 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.176 -6.261 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.661 -6.969 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.868 -7.275 -3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.311 -8.609 -2.945 1.00 0.00 H new ATOM 816 N ASP A 56 -7.360 -8.008 -6.371 1.00 0.00 N ATOM 817 CA ASP A 56 -8.206 -7.384 -7.374 1.00 0.00 C ATOM 818 C ASP A 56 -8.703 -6.035 -6.847 1.00 0.00 C ATOM 819 O ASP A 56 -9.676 -5.979 -6.098 1.00 0.00 O ATOM 820 CB ASP A 56 -9.428 -8.250 -7.682 1.00 0.00 C ATOM 821 CG ASP A 56 -9.888 -9.151 -6.533 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.124 -8.598 -5.438 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.993 -10.372 -6.777 1.00 0.00 O ATOM 0 H ASP A 56 -7.805 -8.146 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.616 -7.259 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.254 -7.598 -7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.203 -8.875 -8.546 1.00 0.00 H new ATOM 828 N ALA A 57 -8.012 -4.984 -7.261 1.00 0.00 N ATOM 829 CA ALA A 57 -8.370 -3.640 -6.839 1.00 0.00 C ATOM 830 C ALA A 57 -8.659 -2.783 -8.074 1.00 0.00 C ATOM 831 O ALA A 57 -7.913 -2.825 -9.051 1.00 0.00 O ATOM 832 CB ALA A 57 -7.248 -3.058 -5.977 1.00 0.00 C ATOM 0 H ALA A 57 -7.206 -5.035 -7.884 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.273 -3.658 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.517 -2.050 -5.661 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.101 -3.686 -5.099 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.325 -3.022 -6.556 1.00 0.00 H new ATOM 838 N PRO A 58 -9.773 -2.008 -7.988 1.00 0.00 N ATOM 839 CA PRO A 58 -10.169 -1.142 -9.086 1.00 0.00 C ATOM 840 C PRO A 58 -9.272 0.094 -9.162 1.00 0.00 C ATOM 841 O PRO A 58 -8.756 0.555 -8.145 1.00 0.00 O ATOM 842 CB PRO A 58 -11.625 -0.802 -8.813 1.00 0.00 C ATOM 843 CG PRO A 58 -11.856 -1.105 -7.341 1.00 0.00 C ATOM 844 CD PRO A 58 -10.680 -1.932 -6.846 1.00 0.00 C ATOM 0 HA PRO A 58 -10.060 -1.621 -10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.829 0.246 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.289 -1.395 -9.442 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.940 -0.181 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.790 -1.650 -7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.198 -1.462 -5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.000 -2.924 -6.528 1.00 0.00 H new ATOM 852 N VAL A 59 -9.111 0.596 -10.378 1.00 0.00 N ATOM 853 CA VAL A 59 -8.285 1.769 -10.601 1.00 0.00 C ATOM 854 C VAL A 59 -9.165 2.924 -11.084 1.00 0.00 C ATOM 855 O VAL A 59 -8.790 4.089 -10.961 1.00 0.00 O ATOM 856 CB VAL A 59 -7.151 1.434 -11.573 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.124 2.567 -11.628 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.485 0.108 -11.202 1.00 0.00 C ATOM 0 H VAL A 59 -9.540 0.211 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.814 2.087 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.583 1.325 -12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.329 2.304 -12.326 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.611 3.483 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.700 2.722 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.683 -0.106 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.073 0.177 -10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.224 -0.693 -11.238 1.00 0.00 H new ATOM 868 N SER A 60 -10.319 2.560 -11.625 1.00 0.00 N ATOM 869 CA SER A 60 -11.254 3.551 -12.127 1.00 0.00 C ATOM 870 C SER A 60 -11.287 4.761 -11.192 1.00 0.00 C ATOM 871 O SER A 60 -11.318 5.903 -11.651 1.00 0.00 O ATOM 872 CB SER A 60 -12.658 2.958 -12.274 1.00 0.00 C ATOM 873 OG SER A 60 -13.018 2.152 -11.155 1.00 0.00 O ATOM 0 H SER A 60 -10.627 1.593 -11.726 1.00 0.00 H new ATOM 0 HA SER A 60 -10.917 3.870 -13.113 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.382 3.765 -12.387 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.705 2.358 -13.183 1.00 0.00 H new ATOM 0 HG SER A 60 -13.921 1.794 -11.287 1.00 0.00 H new ATOM 879 N GLU A 61 -11.277 4.472 -9.898 1.00 0.00 N ATOM 880 CA GLU A 61 -11.305 5.523 -8.896 1.00 0.00 C ATOM 881 C GLU A 61 -11.385 4.917 -7.494 1.00 0.00 C ATOM 882 O GLU A 61 -12.325 5.190 -6.748 1.00 0.00 O ATOM 883 CB GLU A 61 -12.467 6.487 -9.145 1.00 0.00 C ATOM 884 CG GLU A 61 -11.999 7.941 -9.066 1.00 0.00 C ATOM 885 CD GLU A 61 -12.961 8.868 -9.812 1.00 0.00 C ATOM 886 OE1 GLU A 61 -12.866 8.900 -11.058 1.00 0.00 O ATOM 887 OE2 GLU A 61 -13.770 9.523 -9.120 1.00 0.00 O ATOM 0 H GLU A 61 -11.250 3.524 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.380 6.095 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.901 6.294 -10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.252 6.313 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.928 8.248 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.000 8.029 -9.492 1.00 0.00 H new ATOM 894 N PHE A 62 -10.387 4.105 -7.177 1.00 0.00 N ATOM 895 CA PHE A 62 -10.332 3.458 -5.877 1.00 0.00 C ATOM 896 C PHE A 62 -10.417 4.487 -4.748 1.00 0.00 C ATOM 897 O PHE A 62 -10.313 5.688 -4.990 1.00 0.00 O ATOM 898 CB PHE A 62 -8.986 2.736 -5.793 1.00 0.00 C ATOM 899 CG PHE A 62 -7.801 3.570 -6.281 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.528 4.768 -5.699 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.020 3.114 -7.298 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.427 5.543 -6.152 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.919 3.889 -7.751 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.646 5.087 -7.168 1.00 0.00 C ATOM 0 H PHE A 62 -9.610 3.880 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.170 2.770 -5.769 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.808 2.441 -4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.039 1.820 -6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.148 5.130 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.237 2.163 -7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.210 6.495 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.299 3.527 -8.558 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.809 5.676 -7.512 1.00 0.00 H new ATOM 914 N ASP A 63 -10.604 3.978 -3.540 1.00 0.00 N ATOM 915 CA ASP A 63 -10.703 4.837 -2.372 1.00 0.00 C ATOM 916 C ASP A 63 -9.301 5.110 -1.825 1.00 0.00 C ATOM 917 O ASP A 63 -8.769 4.318 -1.047 1.00 0.00 O ATOM 918 CB ASP A 63 -11.522 4.171 -1.266 1.00 0.00 C ATOM 919 CG ASP A 63 -12.446 5.112 -0.490 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.170 5.879 -1.161 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.409 5.042 0.758 1.00 0.00 O ATOM 0 H ASP A 63 -10.690 2.981 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.193 5.762 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.125 3.378 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.837 3.697 -0.563 1.00 0.00 H new ATOM 926 N ARG A 64 -8.741 6.234 -2.250 1.00 0.00 N ATOM 927 CA ARG A 64 -7.411 6.620 -1.811 1.00 0.00 C ATOM 928 C ARG A 64 -7.285 6.457 -0.295 1.00 0.00 C ATOM 929 O ARG A 64 -6.182 6.294 0.225 1.00 0.00 O ATOM 930 CB ARG A 64 -7.106 8.070 -2.189 1.00 0.00 C ATOM 931 CG ARG A 64 -6.510 8.156 -3.596 1.00 0.00 C ATOM 932 CD ARG A 64 -6.201 9.607 -3.972 1.00 0.00 C ATOM 933 NE ARG A 64 -5.432 10.259 -2.888 1.00 0.00 N ATOM 934 CZ ARG A 64 -5.233 11.581 -2.799 1.00 0.00 C ATOM 935 NH1 ARG A 64 -5.743 12.400 -3.728 1.00 0.00 N ATOM 936 NH2 ARG A 64 -4.522 12.083 -1.780 1.00 0.00 N ATOM 0 H ARG A 64 -9.185 6.889 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.694 5.968 -2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.020 8.662 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.410 8.499 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.598 7.561 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.208 7.730 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.632 9.637 -4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.129 10.151 -4.149 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.029 9.665 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.283 12.017 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.591 13.406 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.133 11.459 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.370 13.089 -1.711 1.00 0.00 H new ATOM 950 N LYS A 65 -8.429 6.509 0.371 1.00 0.00 N ATOM 951 CA LYS A 65 -8.459 6.370 1.817 1.00 0.00 C ATOM 952 C LYS A 65 -7.935 4.986 2.203 1.00 0.00 C ATOM 953 O LYS A 65 -7.288 4.829 3.238 1.00 0.00 O ATOM 954 CB LYS A 65 -9.861 6.668 2.355 1.00 0.00 C ATOM 955 CG LYS A 65 -10.052 6.068 3.748 1.00 0.00 C ATOM 956 CD LYS A 65 -10.714 7.074 4.693 1.00 0.00 C ATOM 957 CE LYS A 65 -9.720 7.580 5.740 1.00 0.00 C ATOM 958 NZ LYS A 65 -9.681 9.059 5.747 1.00 0.00 N ATOM 0 H LYS A 65 -9.342 6.645 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.800 7.103 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.018 7.746 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.609 6.262 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.666 5.170 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.086 5.765 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.103 7.915 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.564 6.607 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.004 7.213 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.726 7.185 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.001 9.385 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.388 9.403 4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.626 9.430 5.972 1.00 0.00 H new ATOM 972 N GLU A 66 -8.232 4.016 1.351 1.00 0.00 N ATOM 973 CA GLU A 66 -7.798 2.650 1.590 1.00 0.00 C ATOM 974 C GLU A 66 -6.388 2.436 1.035 1.00 0.00 C ATOM 975 O GLU A 66 -5.660 1.562 1.502 1.00 0.00 O ATOM 976 CB GLU A 66 -8.783 1.648 0.984 1.00 0.00 C ATOM 977 CG GLU A 66 -8.256 0.217 1.110 1.00 0.00 C ATOM 978 CD GLU A 66 -9.358 -0.802 0.811 1.00 0.00 C ATOM 979 OE1 GLU A 66 -9.840 -0.793 -0.342 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.694 -1.565 1.742 1.00 0.00 O ATOM 0 H GLU A 66 -8.768 4.149 0.494 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.773 2.480 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.747 1.730 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.950 1.887 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.424 0.070 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.870 0.055 2.116 1.00 0.00 H new ATOM 987 N TRP A 67 -6.046 3.250 0.047 1.00 0.00 N ATOM 988 CA TRP A 67 -4.736 3.161 -0.576 1.00 0.00 C ATOM 989 C TRP A 67 -3.929 4.391 -0.158 1.00 0.00 C ATOM 990 O TRP A 67 -3.041 4.832 -0.885 1.00 0.00 O ATOM 991 CB TRP A 67 -4.860 3.015 -2.094 1.00 0.00 C ATOM 992 CG TRP A 67 -5.882 1.966 -2.538 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.136 2.165 -2.967 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.684 0.537 -2.578 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.758 0.974 -3.280 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.848 -0.048 -3.036 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.560 -0.236 -2.239 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -6.999 -1.431 -3.196 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.728 -1.616 -2.404 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.892 -2.220 -2.865 1.00 0.00 C ATOM 0 H TRP A 67 -6.653 3.974 -0.337 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.209 2.268 -0.240 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -5.137 3.980 -2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.885 2.753 -2.504 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.601 3.136 -3.056 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.711 0.864 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.640 0.200 -1.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.920 -1.865 -3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.895 -2.256 -2.156 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.942 -3.294 -2.967 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.266 4.910 1.013 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.584 6.080 1.537 1.00 0.00 C ATOM 1013 C ASP A 68 -2.529 5.639 2.554 1.00 0.00 C ATOM 1014 O ASP A 68 -1.429 6.188 2.590 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.563 7.017 2.248 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.958 7.840 3.388 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.991 8.578 3.103 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.477 7.712 4.518 1.00 0.00 O ATOM 0 H ASP A 68 -5.003 4.541 1.614 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.126 6.605 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.988 7.700 1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.387 6.424 2.645 1.00 0.00 H new ATOM 1023 N THR A 69 -2.903 4.652 3.354 1.00 0.00 N ATOM 1024 CA THR A 69 -2.003 4.129 4.369 1.00 0.00 C ATOM 1025 C THR A 69 -1.612 2.686 4.044 1.00 0.00 C ATOM 1026 O THR A 69 -2.284 2.019 3.257 1.00 0.00 O ATOM 1027 CB THR A 69 -2.685 4.282 5.730 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.039 3.915 5.483 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.769 5.742 6.181 1.00 0.00 C ATOM 0 H THR A 69 -3.817 4.200 3.321 1.00 0.00 H new ATOM 0 HA THR A 69 -1.067 4.688 4.393 1.00 0.00 H new ATOM 0 HB THR A 69 -2.141 3.703 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.636 4.513 5.979 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.261 5.795 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.764 6.157 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.342 6.316 5.452 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.499 2.233 4.682 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.012 0.882 4.467 1.00 0.00 C ATOM 1039 C PRO A 70 -0.888 -0.139 5.198 1.00 0.00 C ATOM 1040 O PRO A 70 -0.915 -1.313 4.832 1.00 0.00 O ATOM 1041 CB PRO A 70 1.424 0.898 4.967 1.00 0.00 C ATOM 1042 CG PRO A 70 1.539 2.120 5.864 1.00 0.00 C ATOM 1043 CD PRO A 70 0.320 2.994 5.619 1.00 0.00 C ATOM 0 HA PRO A 70 -0.052 0.581 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.656 -0.014 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.127 0.956 4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.591 1.822 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.454 2.670 5.644 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.219 3.191 6.546 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.603 3.961 5.203 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.582 0.347 6.217 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.455 -0.509 7.002 1.00 0.00 C ATOM 1053 C ASN A 71 -3.730 -0.797 6.205 1.00 0.00 C ATOM 1054 O ASN A 71 -4.094 -1.956 6.008 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.861 0.171 8.311 1.00 0.00 C ATOM 1056 CG ASN A 71 -4.152 -0.432 8.866 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -4.421 -1.616 8.736 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -4.935 0.443 9.491 1.00 0.00 N ATOM 0 H ASN A 71 -1.557 1.322 6.517 1.00 0.00 H new ATOM 0 HA ASN A 71 -1.914 -1.429 7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.061 0.064 9.044 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.998 1.239 8.143 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.820 0.137 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.651 1.420 9.565 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.372 0.276 5.767 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.596 0.151 4.996 1.00 0.00 C ATOM 1067 C LYS A 72 -5.346 -0.757 3.790 1.00 0.00 C ATOM 1068 O LYS A 72 -6.237 -1.490 3.365 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.136 1.533 4.622 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.415 1.851 5.399 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.425 3.309 5.865 1.00 0.00 C ATOM 1072 CE LYS A 72 -6.814 3.442 7.261 1.00 0.00 C ATOM 1073 NZ LYS A 72 -7.792 3.040 8.297 1.00 0.00 N ATOM 0 H LYS A 72 -4.067 1.235 5.932 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.375 -0.321 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.381 2.291 4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.338 1.571 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.284 1.661 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.495 1.189 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.866 3.924 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.448 3.685 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.922 2.820 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.500 4.472 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.391 3.217 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.665 3.593 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.008 2.028 8.197 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.128 -0.681 3.276 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.749 -1.487 2.128 1.00 0.00 C ATOM 1089 C ILE A 73 -3.463 -2.919 2.588 1.00 0.00 C ATOM 1090 O ILE A 73 -4.001 -3.873 2.030 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.583 -0.839 1.378 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.010 0.486 0.744 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.989 -1.802 0.349 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.866 1.099 -0.068 1.00 0.00 C ATOM 0 H ILE A 73 -3.390 -0.074 3.633 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.569 -1.538 1.412 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.796 -0.614 2.098 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.873 0.323 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.322 1.182 1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.162 -1.316 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.625 -2.696 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.756 -2.081 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.196 2.040 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.014 1.283 0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.573 0.411 -0.861 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.616 -3.022 3.603 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.253 -4.320 4.144 1.00 0.00 C ATOM 1108 C ILE A 74 -3.523 -5.129 4.414 1.00 0.00 C ATOM 1109 O ILE A 74 -3.487 -6.359 4.440 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.355 -4.157 5.372 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.122 -4.154 4.975 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.664 -5.225 6.423 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.016 -3.905 6.192 1.00 0.00 C ATOM 0 H ILE A 74 -2.172 -2.228 4.064 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.664 -4.883 3.420 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.568 -3.189 5.825 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.381 -5.109 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.299 -3.383 4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.012 -5.086 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.704 -5.137 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.497 -6.214 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.061 -3.908 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.770 -2.939 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.854 -4.691 6.929 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.616 -4.408 4.606 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.896 -5.043 4.873 1.00 0.00 C ATOM 1127 C ALA A 75 -6.538 -5.462 3.549 1.00 0.00 C ATOM 1128 O ALA A 75 -7.203 -6.494 3.476 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.783 -4.088 5.676 1.00 0.00 C ATOM 0 H ALA A 75 -4.643 -3.389 4.582 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.761 -5.943 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.743 -4.564 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.295 -3.845 6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.944 -3.174 5.105 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.318 -4.638 2.534 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.867 -4.910 1.217 1.00 0.00 C ATOM 1137 C LYS A 76 -6.198 -6.157 0.638 1.00 0.00 C ATOM 1138 O LYS A 76 -6.822 -6.914 -0.106 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.747 -3.676 0.321 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.731 -3.749 -0.848 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.162 -3.955 -0.348 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.180 -3.496 -1.394 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.066 -4.616 -1.783 1.00 0.00 N ATOM 0 H LYS A 76 -5.767 -3.782 2.598 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.934 -5.123 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.939 -2.777 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.729 -3.597 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.675 -2.831 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.453 -4.567 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.322 -5.008 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.311 -3.399 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.776 -2.675 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.660 -3.114 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.750 -4.287 -2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.495 -5.387 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.576 -4.962 -0.945 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.936 -6.336 1.001 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.174 -7.479 0.526 1.00 0.00 C ATOM 1159 C VAL A 77 -4.548 -8.712 1.351 1.00 0.00 C ATOM 1160 O VAL A 77 -4.464 -9.839 0.863 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.677 -7.164 0.565 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.850 -8.383 0.153 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.348 -5.954 -0.311 1.00 0.00 C ATOM 0 H VAL A 77 -4.422 -5.708 1.619 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.418 -7.696 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.413 -6.913 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.790 -8.132 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.052 -9.207 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.119 -8.679 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.278 -5.752 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.634 -6.163 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.897 -5.084 0.049 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.952 -8.458 2.586 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.339 -9.534 3.484 1.00 0.00 C ATOM 1175 C GLU A 78 -6.785 -9.956 3.216 1.00 0.00 C ATOM 1176 O GLU A 78 -7.158 -11.100 3.467 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.149 -9.124 4.945 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.664 -9.050 5.306 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.125 -10.429 5.695 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.518 -10.907 6.781 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.333 -10.975 4.896 1.00 0.00 O ATOM 0 H GLU A 78 -5.020 -7.523 2.987 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.691 -10.390 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.618 -8.155 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.650 -9.841 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.099 -8.660 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.521 -8.353 6.132 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.559 -9.008 2.709 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.956 -9.266 2.404 1.00 0.00 C ATOM 1190 C GLN A 79 -9.103 -9.753 0.960 1.00 0.00 C ATOM 1191 O GLN A 79 -10.179 -9.648 0.373 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.811 -8.022 2.653 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.074 -8.373 3.440 1.00 0.00 C ATOM 1194 CD GLN A 79 -12.058 -7.200 3.450 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -13.110 -7.234 2.834 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -11.658 -6.165 4.182 1.00 0.00 N ATOM 0 H GLN A 79 -7.245 -8.060 2.502 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.314 -10.051 3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.230 -7.281 3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.086 -7.569 1.701 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.550 -9.248 2.998 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.807 -8.637 4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.765 -6.202 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.244 -5.333 4.253 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.006 -10.274 0.431 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.000 -10.777 -0.932 1.00 0.00 C ATOM 1207 C ALA A 80 -7.621 -12.259 -0.923 1.00 0.00 C ATOM 1208 O ALA A 80 -8.280 -13.077 -1.564 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.044 -9.937 -1.783 1.00 0.00 C ATOM 0 H ALA A 80 -7.116 -10.359 0.921 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.992 -10.693 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.040 -10.315 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.373 -8.898 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.038 -10.000 -1.369 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.562 -12.562 -0.186 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.088 -13.932 -0.084 1.00 0.00 C ATOM 1217 C GLN A 81 -7.268 -14.890 0.094 1.00 0.00 C ATOM 1218 O GLN A 81 -7.980 -14.825 1.095 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.084 -14.081 1.061 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.854 -13.201 0.828 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.334 -13.354 -0.603 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.698 -14.332 -0.959 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.638 -12.334 -1.400 1.00 0.00 N ATOM 0 H GLN A 81 -6.019 -11.882 0.346 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.574 -14.188 -1.010 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.558 -13.807 2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.779 -15.124 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.108 -12.158 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.070 -13.472 1.535 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.174 -11.546 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.335 -12.340 -2.374 1.00 0.00 H new