USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 59 LYS NZ :NH3+ 173:sc= 0.622! (180deg=0.36!) USER MOD Set 1.2: A 63 TYR OH : rot 13:sc= 0.131 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 7 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 8 LYS NZ :NH3+ 129:sc= -1.21 (180deg=-1.91) USER MOD Single : A 14 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -28:sc= -0.0972 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0737) USER MOD Single : A 24 ASN : amide:sc= 0.127 K(o=0.13,f=-1.3) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0354 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.61 USER MOD Single : A 33 GLN : amide:sc= -0.871 K(o=-0.87,f=-1.4!) USER MOD Single : A 34 HIS : no HE2:sc= -0.0222 X(o=-0.022,f=-0.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.325 K(o=-0.32,f=-2.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= -0.424 (180deg=-0.757) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 69:sc= -2.26 USER MOD Single : A 62 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.63) USER MOD Single : A 69 LYS NZ :NH3+ 146:sc= -8.02! (180deg=-8.32!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -31:sc= -2.36! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 14.607 -9.723 0.063 1.00 1.00 N ATOM 16 CA SER A 4 14.860 -8.435 0.701 1.00 1.00 C ATOM 17 C SER A 4 13.560 -7.844 1.240 1.00 1.00 C ATOM 18 O SER A 4 12.485 -8.067 0.680 1.00 1.00 O ATOM 19 CB SER A 4 15.483 -7.469 -0.306 1.00 1.00 C ATOM 20 OG SER A 4 16.833 -7.841 -0.542 1.00 1.00 O ATOM 0 HA SER A 4 15.550 -8.588 1.531 1.00 1.00 H new ATOM 0 HB2 SER A 4 14.921 -7.487 -1.240 1.00 1.00 H new ATOM 0 HB3 SER A 4 15.436 -6.449 0.075 1.00 1.00 H new ATOM 0 HG SER A 4 17.234 -7.224 -1.189 1.00 1.00 H new ATOM 26 N THR A 5 13.665 -7.103 2.336 1.00 1.00 N ATOM 27 CA THR A 5 12.487 -6.500 2.951 1.00 1.00 C ATOM 28 C THR A 5 11.826 -5.517 1.989 1.00 1.00 C ATOM 29 O THR A 5 10.605 -5.522 1.822 1.00 1.00 O ATOM 30 CB THR A 5 12.891 -5.757 4.229 1.00 1.00 C ATOM 31 OG1 THR A 5 13.788 -6.565 4.982 1.00 1.00 O ATOM 32 CG2 THR A 5 11.645 -5.476 5.072 1.00 1.00 C ATOM 0 H THR A 5 14.544 -6.906 2.814 1.00 1.00 H new ATOM 0 HA THR A 5 11.780 -7.294 3.193 1.00 1.00 H new ATOM 0 HB THR A 5 13.375 -4.817 3.963 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.049 -6.090 5.799 1.00 1.00 H new ATOM 0 HG21 THR A 5 11.932 -4.948 5.981 1.00 1.00 H new ATOM 0 HG22 THR A 5 10.949 -4.862 4.500 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.165 -6.418 5.336 1.00 1.00 H new ATOM 40 N LEU A 6 12.639 -4.676 1.359 1.00 1.00 N ATOM 41 CA LEU A 6 12.121 -3.691 0.424 1.00 1.00 C ATOM 42 C LEU A 6 11.491 -4.374 -0.785 1.00 1.00 C ATOM 43 O LEU A 6 10.429 -3.969 -1.258 1.00 1.00 O ATOM 44 CB LEU A 6 13.249 -2.757 -0.029 1.00 1.00 C ATOM 45 CG LEU A 6 12.658 -1.405 -0.465 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.444 -0.514 0.762 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.615 -0.717 -1.427 1.00 1.00 C ATOM 0 H LEU A 6 13.652 -4.658 1.479 1.00 1.00 H new ATOM 0 HA LEU A 6 11.352 -3.106 0.928 1.00 1.00 H new ATOM 0 HB2 LEU A 6 13.960 -2.609 0.784 1.00 1.00 H new ATOM 0 HB3 LEU A 6 13.798 -3.208 -0.855 1.00 1.00 H new ATOM 0 HG LEU A 6 11.702 -1.575 -0.960 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.025 0.442 0.449 1.00 1.00 H new ATOM 0 HD12 LEU A 6 11.756 -1.003 1.451 1.00 1.00 H new ATOM 0 HD13 LEU A 6 13.399 -0.346 1.261 1.00 1.00 H new ATOM 0 HD21 LEU A 6 13.195 0.241 -1.735 1.00 1.00 H new ATOM 0 HD22 LEU A 6 14.572 -0.551 -0.932 1.00 1.00 H new ATOM 0 HD23 LEU A 6 13.764 -1.347 -2.304 1.00 1.00 H new ATOM 59 N GLN A 7 12.159 -5.412 -1.279 1.00 1.00 N ATOM 60 CA GLN A 7 11.654 -6.152 -2.428 1.00 1.00 C ATOM 61 C GLN A 7 10.260 -6.692 -2.117 1.00 1.00 C ATOM 62 O GLN A 7 9.361 -6.642 -2.958 1.00 1.00 O ATOM 63 CB GLN A 7 12.607 -7.300 -2.763 1.00 1.00 C ATOM 64 CG GLN A 7 12.049 -8.106 -3.941 1.00 1.00 C ATOM 65 CD GLN A 7 11.938 -7.216 -5.176 1.00 1.00 C ATOM 66 OE1 GLN A 7 12.937 -6.669 -5.640 1.00 1.00 O ATOM 67 NE2 GLN A 7 10.772 -7.034 -5.734 1.00 1.00 N ATOM 0 H GLN A 7 13.043 -5.757 -0.905 1.00 1.00 H new ATOM 0 HA GLN A 7 11.591 -5.487 -3.290 1.00 1.00 H new ATOM 0 HB2 GLN A 7 13.592 -6.907 -3.013 1.00 1.00 H new ATOM 0 HB3 GLN A 7 12.733 -7.946 -1.894 1.00 1.00 H new ATOM 0 HG2 GLN A 7 12.699 -8.955 -4.152 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.070 -8.510 -3.685 1.00 1.00 H new ATOM 0 HE21 GLN A 7 9.945 -7.489 -5.347 1.00 1.00 H new ATOM 0 HE22 GLN A 7 10.688 -6.437 -6.557 1.00 1.00 H new ATOM 76 N LYS A 8 10.092 -7.206 -0.906 1.00 1.00 N ATOM 77 CA LYS A 8 8.802 -7.736 -0.492 1.00 1.00 C ATOM 78 C LYS A 8 7.777 -6.606 -0.453 1.00 1.00 C ATOM 79 O LYS A 8 6.626 -6.783 -0.863 1.00 1.00 O ATOM 80 CB LYS A 8 8.911 -8.369 0.888 1.00 1.00 C ATOM 81 CG LYS A 8 7.623 -9.133 1.220 1.00 1.00 C ATOM 82 CD LYS A 8 7.603 -10.470 0.483 1.00 1.00 C ATOM 83 CE LYS A 8 6.537 -11.370 1.091 1.00 1.00 C ATOM 84 NZ LYS A 8 5.192 -10.770 0.876 1.00 1.00 N ATOM 0 H LYS A 8 10.826 -7.267 -0.200 1.00 1.00 H new ATOM 0 HA LYS A 8 8.486 -8.496 -1.206 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.764 -9.047 0.919 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.089 -7.598 1.637 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.557 -9.300 2.295 1.00 1.00 H new ATOM 0 HG3 LYS A 8 6.755 -8.539 0.936 1.00 1.00 H new ATOM 0 HD2 LYS A 8 7.399 -10.311 -0.576 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.580 -10.949 0.550 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.581 -12.360 0.637 1.00 1.00 H new ATOM 0 HE3 LYS A 8 6.722 -11.500 2.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 4.558 -11.481 0.459 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 4.804 -10.452 1.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 5.273 -9.958 0.232 1.00 1.00 H new ATOM 98 N ALA A 9 8.199 -5.443 0.051 1.00 1.00 N ATOM 99 CA ALA A 9 7.298 -4.303 0.139 1.00 1.00 C ATOM 100 C ALA A 9 6.778 -3.925 -1.249 1.00 1.00 C ATOM 101 O ALA A 9 5.596 -3.616 -1.423 1.00 1.00 O ATOM 102 CB ALA A 9 8.041 -3.108 0.758 1.00 1.00 C ATOM 0 H ALA A 9 9.143 -5.272 0.397 1.00 1.00 H new ATOM 0 HA ALA A 9 6.449 -4.572 0.768 1.00 1.00 H new ATOM 0 HB1 ALA A 9 7.366 -2.254 0.824 1.00 1.00 H new ATOM 0 HB2 ALA A 9 8.389 -3.373 1.756 1.00 1.00 H new ATOM 0 HB3 ALA A 9 8.895 -2.848 0.133 1.00 1.00 H new ATOM 108 N ILE A 10 7.674 -3.953 -2.232 1.00 1.00 N ATOM 109 CA ILE A 10 7.299 -3.618 -3.603 1.00 1.00 C ATOM 110 C ILE A 10 6.329 -4.674 -4.147 1.00 1.00 C ATOM 111 O ILE A 10 5.351 -4.370 -4.809 1.00 1.00 O ATOM 112 CB ILE A 10 8.545 -3.552 -4.485 1.00 1.00 C ATOM 113 CG1 ILE A 10 9.419 -2.378 -4.041 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.123 -3.346 -5.944 1.00 1.00 C ATOM 115 CD1 ILE A 10 10.792 -2.484 -4.708 1.00 1.00 C ATOM 0 H ILE A 10 8.655 -4.202 -2.107 1.00 1.00 H new ATOM 0 HA ILE A 10 6.809 -2.644 -3.611 1.00 1.00 H new ATOM 0 HB ILE A 10 9.107 -4.481 -4.394 1.00 1.00 H new ATOM 0 HG12 ILE A 10 8.944 -1.435 -4.310 1.00 1.00 H new ATOM 0 HG13 ILE A 10 9.528 -2.382 -2.957 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.010 -3.298 -6.576 1.00 1.00 H new ATOM 0 HG22 ILE A 10 7.495 -4.178 -6.262 1.00 1.00 H new ATOM 0 HG23 ILE A 10 7.564 -2.415 -6.033 1.00 1.00 H new ATOM 0 HD11 ILE A 10 11.416 -1.648 -4.392 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.267 -3.421 -4.417 1.00 1.00 H new ATOM 0 HD13 ILE A 10 10.673 -2.459 -5.791 1.00 1.00 H new ATOM 127 N ASP A 11 6.625 -5.931 -3.889 1.00 1.00 N ATOM 128 CA ASP A 11 5.773 -7.006 -4.375 1.00 1.00 C ATOM 129 C ASP A 11 4.353 -6.832 -3.848 1.00 1.00 C ATOM 130 O ASP A 11 3.379 -6.932 -4.606 1.00 1.00 O ATOM 131 CB ASP A 11 6.324 -8.352 -3.903 1.00 1.00 C ATOM 132 CG ASP A 11 5.666 -9.495 -4.672 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.054 -9.222 -5.690 1.00 1.00 O ATOM 134 OD2 ASP A 11 5.783 -10.620 -4.228 1.00 1.00 O ATOM 0 H ASP A 11 7.438 -6.235 -3.353 1.00 1.00 H new ATOM 0 HA ASP A 11 5.757 -6.976 -5.464 1.00 1.00 H new ATOM 0 HB2 ASP A 11 7.404 -8.381 -4.049 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.143 -8.472 -2.835 1.00 1.00 H new ATOM 139 N LEU A 12 4.230 -6.595 -2.544 1.00 1.00 N ATOM 140 CA LEU A 12 2.917 -6.442 -1.934 1.00 1.00 C ATOM 141 C LEU A 12 2.183 -5.227 -2.481 1.00 1.00 C ATOM 142 O LEU A 12 0.988 -5.293 -2.777 1.00 1.00 O ATOM 143 CB LEU A 12 3.077 -6.281 -0.418 1.00 1.00 C ATOM 144 CG LEU A 12 3.750 -7.526 0.176 1.00 1.00 C ATOM 145 CD1 LEU A 12 4.406 -7.171 1.515 1.00 1.00 C ATOM 146 CD2 LEU A 12 2.715 -8.633 0.390 1.00 1.00 C ATOM 0 H LEU A 12 5.015 -6.506 -1.898 1.00 1.00 H new ATOM 0 HA LEU A 12 2.333 -7.332 -2.169 1.00 1.00 H new ATOM 0 HB2 LEU A 12 3.674 -5.396 -0.199 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.102 -6.130 0.045 1.00 1.00 H new ATOM 0 HG LEU A 12 4.512 -7.880 -0.519 1.00 1.00 H new ATOM 0 HD11 LEU A 12 4.883 -8.058 1.933 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.156 -6.396 1.359 1.00 1.00 H new ATOM 0 HD13 LEU A 12 3.647 -6.807 2.207 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.204 -9.511 0.812 1.00 1.00 H new ATOM 0 HD22 LEU A 12 1.944 -8.282 1.076 1.00 1.00 H new ATOM 0 HD23 LEU A 12 2.259 -8.895 -0.565 1.00 1.00 H new ATOM 158 N VAL A 13 2.903 -4.119 -2.624 1.00 1.00 N ATOM 159 CA VAL A 13 2.301 -2.894 -3.136 1.00 1.00 C ATOM 160 C VAL A 13 1.869 -3.070 -4.590 1.00 1.00 C ATOM 161 O VAL A 13 0.812 -2.588 -4.998 1.00 1.00 O ATOM 162 CB VAL A 13 3.294 -1.729 -3.005 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.259 -1.728 -4.183 1.00 1.00 C ATOM 164 CG2 VAL A 13 2.528 -0.405 -2.979 1.00 1.00 C ATOM 0 H VAL A 13 3.894 -4.044 -2.395 1.00 1.00 H new ATOM 0 HA VAL A 13 1.413 -2.668 -2.546 1.00 1.00 H new ATOM 0 HB VAL A 13 3.858 -1.847 -2.080 1.00 1.00 H new ATOM 0 HG11 VAL A 13 4.958 -0.898 -4.080 1.00 1.00 H new ATOM 0 HG12 VAL A 13 4.811 -2.668 -4.202 1.00 1.00 H new ATOM 0 HG13 VAL A 13 3.699 -1.617 -5.112 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.233 0.421 -2.886 1.00 1.00 H new ATOM 0 HG22 VAL A 13 1.960 -0.295 -3.903 1.00 1.00 H new ATOM 0 HG23 VAL A 13 1.845 -0.396 -2.130 1.00 1.00 H new ATOM 174 N THR A 14 2.708 -3.752 -5.370 1.00 1.00 N ATOM 175 CA THR A 14 2.404 -3.977 -6.780 1.00 1.00 C ATOM 176 C THR A 14 1.062 -4.698 -6.898 1.00 1.00 C ATOM 177 O THR A 14 0.165 -4.273 -7.636 1.00 1.00 O ATOM 178 CB THR A 14 3.510 -4.818 -7.420 1.00 1.00 C ATOM 179 OG1 THR A 14 4.725 -4.079 -7.424 1.00 1.00 O ATOM 180 CG2 THR A 14 3.117 -5.180 -8.851 1.00 1.00 C ATOM 0 H THR A 14 3.591 -4.153 -5.054 1.00 1.00 H new ATOM 0 HA THR A 14 2.346 -3.020 -7.299 1.00 1.00 H new ATOM 0 HB THR A 14 3.649 -5.734 -6.846 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.067 -4.008 -6.509 1.00 1.00 H new ATOM 0 HG21 THR A 14 3.907 -5.779 -9.305 1.00 1.00 H new ATOM 0 HG22 THR A 14 2.189 -5.751 -8.840 1.00 1.00 H new ATOM 0 HG23 THR A 14 2.975 -4.268 -9.431 1.00 1.00 H new ATOM 188 N LYS A 15 0.922 -5.784 -6.153 1.00 1.00 N ATOM 189 CA LYS A 15 -0.324 -6.533 -6.167 1.00 1.00 C ATOM 190 C LYS A 15 -1.468 -5.630 -5.708 1.00 1.00 C ATOM 191 O LYS A 15 -2.556 -5.654 -6.264 1.00 1.00 O ATOM 192 CB LYS A 15 -0.217 -7.736 -5.242 1.00 1.00 C ATOM 193 CG LYS A 15 -1.421 -8.686 -5.473 1.00 1.00 C ATOM 194 CD LYS A 15 -0.912 -10.050 -5.938 1.00 1.00 C ATOM 195 CE LYS A 15 -0.124 -10.720 -4.803 1.00 1.00 C ATOM 196 NZ LYS A 15 -0.180 -12.200 -4.977 1.00 1.00 N ATOM 0 H LYS A 15 1.644 -6.162 -5.540 1.00 1.00 H new ATOM 0 HA LYS A 15 -0.521 -6.881 -7.181 1.00 1.00 H new ATOM 0 HB2 LYS A 15 0.717 -8.266 -5.427 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -0.196 -7.407 -4.203 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.994 -8.794 -4.552 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -2.094 -8.263 -6.219 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.750 -10.681 -6.234 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -0.276 -9.932 -6.816 1.00 1.00 H new ATOM 0 HE2 LYS A 15 0.911 -10.379 -4.812 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -0.544 -10.439 -3.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.352 -12.660 -4.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -1.171 -12.516 -4.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.239 -12.458 -5.893 1.00 1.00 H new ATOM 210 N ALA A 16 -1.216 -4.831 -4.685 1.00 1.00 N ATOM 211 CA ALA A 16 -2.236 -3.925 -4.174 1.00 1.00 C ATOM 212 C ALA A 16 -2.816 -3.078 -5.301 1.00 1.00 C ATOM 213 O ALA A 16 -4.032 -2.899 -5.394 1.00 1.00 O ATOM 214 CB ALA A 16 -1.618 -2.998 -3.116 1.00 1.00 C ATOM 0 H ALA A 16 -0.323 -4.789 -4.194 1.00 1.00 H new ATOM 0 HA ALA A 16 -3.035 -4.519 -3.730 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -2.382 -2.321 -2.735 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -1.221 -3.596 -2.296 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.812 -2.419 -3.566 1.00 1.00 H new ATOM 220 N THR A 17 -1.942 -2.549 -6.146 1.00 1.00 N ATOM 221 CA THR A 17 -2.381 -1.709 -7.247 1.00 1.00 C ATOM 222 C THR A 17 -3.250 -2.489 -8.218 1.00 1.00 C ATOM 223 O THR A 17 -4.274 -1.992 -8.683 1.00 1.00 O ATOM 224 CB THR A 17 -1.161 -1.147 -7.996 1.00 1.00 C ATOM 225 OG1 THR A 17 -0.348 -2.221 -8.444 1.00 1.00 O ATOM 226 CG2 THR A 17 -0.346 -0.244 -7.065 1.00 1.00 C ATOM 0 H THR A 17 -0.933 -2.686 -6.090 1.00 1.00 H new ATOM 0 HA THR A 17 -2.970 -0.891 -6.832 1.00 1.00 H new ATOM 0 HB THR A 17 -1.503 -0.563 -8.851 1.00 1.00 H new ATOM 0 HG1 THR A 17 -0.463 -2.989 -7.847 1.00 1.00 H new ATOM 0 HG21 THR A 17 0.516 0.150 -7.603 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.969 0.583 -6.723 1.00 1.00 H new ATOM 0 HG23 THR A 17 -0.005 -0.821 -6.206 1.00 1.00 H new ATOM 234 N GLU A 18 -2.850 -3.720 -8.509 1.00 1.00 N ATOM 235 CA GLU A 18 -3.621 -4.553 -9.430 1.00 1.00 C ATOM 236 C GLU A 18 -5.020 -4.830 -8.863 1.00 1.00 C ATOM 237 O GLU A 18 -6.009 -4.868 -9.602 1.00 1.00 O ATOM 238 CB GLU A 18 -2.859 -5.869 -9.697 1.00 1.00 C ATOM 239 CG GLU A 18 -3.471 -7.017 -8.891 1.00 1.00 C ATOM 240 CD GLU A 18 -2.659 -8.278 -9.052 1.00 1.00 C ATOM 241 OE1 GLU A 18 -1.463 -8.166 -9.250 1.00 1.00 O ATOM 242 OE2 GLU A 18 -3.245 -9.344 -8.964 1.00 1.00 O ATOM 0 H GLU A 18 -2.012 -4.160 -8.130 1.00 1.00 H new ATOM 0 HA GLU A 18 -3.746 -4.024 -10.375 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.892 -6.106 -10.760 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.809 -5.749 -9.430 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.519 -6.742 -7.837 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -4.495 -7.194 -9.221 1.00 1.00 H new ATOM 249 N GLU A 19 -5.082 -5.060 -7.552 1.00 1.00 N ATOM 250 CA GLU A 19 -6.345 -5.351 -6.901 1.00 1.00 C ATOM 251 C GLU A 19 -7.236 -4.119 -6.959 1.00 1.00 C ATOM 252 O GLU A 19 -8.439 -4.221 -7.190 1.00 1.00 O ATOM 253 CB GLU A 19 -6.104 -5.761 -5.449 1.00 1.00 C ATOM 254 CG GLU A 19 -5.505 -7.171 -5.396 1.00 1.00 C ATOM 255 CD GLU A 19 -6.506 -8.190 -5.937 1.00 1.00 C ATOM 256 OE1 GLU A 19 -7.636 -8.180 -5.477 1.00 1.00 O ATOM 257 OE2 GLU A 19 -6.132 -8.952 -6.812 1.00 1.00 O ATOM 0 H GLU A 19 -4.275 -5.049 -6.929 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.837 -6.176 -7.416 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -5.429 -5.052 -4.969 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -7.042 -5.734 -4.894 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.587 -7.206 -5.982 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.238 -7.422 -4.370 1.00 1.00 H new ATOM 264 N ASP A 20 -6.633 -2.951 -6.769 1.00 1.00 N ATOM 265 CA ASP A 20 -7.382 -1.703 -6.823 1.00 1.00 C ATOM 266 C ASP A 20 -8.025 -1.543 -8.201 1.00 1.00 C ATOM 267 O ASP A 20 -9.157 -1.071 -8.320 1.00 1.00 O ATOM 268 CB ASP A 20 -6.448 -0.523 -6.551 1.00 1.00 C ATOM 269 CG ASP A 20 -7.268 0.730 -6.252 1.00 1.00 C ATOM 270 OD1 ASP A 20 -8.332 0.594 -5.671 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.820 1.807 -6.611 1.00 1.00 O ATOM 0 H ASP A 20 -5.637 -2.843 -6.578 1.00 1.00 H new ATOM 0 HA ASP A 20 -8.163 -1.724 -6.063 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.796 -0.751 -5.708 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.805 -0.350 -7.414 1.00 1.00 H new ATOM 276 N LYS A 21 -7.300 -1.953 -9.242 1.00 1.00 N ATOM 277 CA LYS A 21 -7.824 -1.870 -10.600 1.00 1.00 C ATOM 278 C LYS A 21 -9.007 -2.823 -10.760 1.00 1.00 C ATOM 279 O LYS A 21 -10.000 -2.492 -11.400 1.00 1.00 O ATOM 280 CB LYS A 21 -6.739 -2.238 -11.610 1.00 1.00 C ATOM 281 CG LYS A 21 -5.586 -1.237 -11.500 1.00 1.00 C ATOM 282 CD LYS A 21 -4.439 -1.668 -12.420 1.00 1.00 C ATOM 283 CE LYS A 21 -3.113 -1.122 -11.890 1.00 1.00 C ATOM 284 NZ LYS A 21 -2.090 -1.157 -12.970 1.00 1.00 N ATOM 0 H LYS A 21 -6.359 -2.341 -9.170 1.00 1.00 H new ATOM 0 HA LYS A 21 -8.152 -0.847 -10.784 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -6.378 -3.249 -11.421 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -7.148 -2.229 -12.620 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.930 -0.240 -11.774 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -5.237 -1.181 -10.469 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -4.397 -2.756 -12.478 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -4.615 -1.301 -13.431 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -3.245 -0.100 -11.534 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.778 -1.715 -11.039 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -1.189 -0.785 -12.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.956 -2.138 -13.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -2.409 -0.573 -13.769 1.00 1.00 H new ATOM 298 N ALA A 22 -8.887 -4.013 -10.170 1.00 1.00 N ATOM 299 CA ALA A 22 -9.953 -5.003 -10.250 1.00 1.00 C ATOM 300 C ALA A 22 -11.100 -4.628 -9.324 1.00 1.00 C ATOM 301 O ALA A 22 -12.020 -5.418 -9.124 1.00 1.00 O ATOM 302 CB ALA A 22 -9.418 -6.384 -9.868 1.00 1.00 C ATOM 0 H ALA A 22 -8.069 -4.310 -9.637 1.00 1.00 H new ATOM 0 HA ALA A 22 -10.321 -5.029 -11.276 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -10.223 -7.116 -9.931 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -8.617 -6.666 -10.551 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -9.032 -6.356 -8.849 1.00 1.00 H new ATOM 308 N LYS A 23 -11.030 -3.423 -8.763 1.00 1.00 N ATOM 309 CA LYS A 23 -12.070 -2.945 -7.859 1.00 1.00 C ATOM 310 C LYS A 23 -12.060 -3.741 -6.564 1.00 1.00 C ATOM 311 O LYS A 23 -13.090 -3.900 -5.917 1.00 1.00 O ATOM 312 CB LYS A 23 -13.440 -3.062 -8.524 1.00 1.00 C ATOM 313 CG LYS A 23 -13.390 -2.425 -9.916 1.00 1.00 C ATOM 314 CD LYS A 23 -13.100 -0.928 -9.792 1.00 1.00 C ATOM 315 CE LYS A 23 -13.470 -0.219 -11.090 1.00 1.00 C ATOM 316 NZ LYS A 23 -14.950 -0.017 -11.130 1.00 1.00 N ATOM 0 H LYS A 23 -10.268 -2.763 -8.918 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.870 -1.898 -7.630 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -13.729 -4.110 -8.602 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -14.196 -2.568 -7.913 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -12.619 -2.905 -10.518 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -14.338 -2.579 -10.431 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.667 -0.506 -8.962 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -12.045 -0.770 -9.569 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.957 0.741 -11.154 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.148 -0.810 -11.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -15.294 -0.160 -12.101 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -15.411 -0.700 -10.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -15.177 0.950 -10.822 1.00 1.00 H new ATOM 330 N ASN A 24 -10.890 -4.236 -6.180 1.00 1.00 N ATOM 331 CA ASN A 24 -10.760 -5.006 -4.945 1.00 1.00 C ATOM 332 C ASN A 24 -10.200 -4.116 -3.828 1.00 1.00 C ATOM 333 O ASN A 24 -9.078 -4.285 -3.384 1.00 1.00 O ATOM 334 CB ASN A 24 -9.830 -6.211 -5.180 1.00 1.00 C ATOM 335 CG ASN A 24 -10.630 -7.498 -5.273 1.00 1.00 C ATOM 336 OD1 ASN A 24 -11.780 -7.481 -5.709 1.00 1.00 O ATOM 337 ND2 ASN A 24 -10.100 -8.614 -4.862 1.00 1.00 N ATOM 0 H ASN A 24 -10.021 -4.120 -6.701 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.743 -5.369 -4.644 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -9.261 -6.064 -6.098 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -9.109 -6.284 -4.366 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -10.639 -9.479 -4.901 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -9.146 -8.623 -4.501 1.00 1.00 H new ATOM 344 N TYR A 25 -11.010 -3.172 -3.381 1.00 1.00 N ATOM 345 CA TYR A 25 -10.580 -2.266 -2.321 1.00 1.00 C ATOM 346 C TYR A 25 -10.170 -3.044 -1.080 1.00 1.00 C ATOM 347 O TYR A 25 -9.183 -2.706 -0.432 1.00 1.00 O ATOM 348 CB TYR A 25 -11.720 -1.314 -1.969 1.00 1.00 C ATOM 349 CG TYR A 25 -12.390 -0.831 -3.237 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.620 -0.395 -4.320 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.790 -0.821 -3.330 1.00 1.00 C ATOM 352 CE1 TYR A 25 -12.230 0.049 -5.488 1.00 1.00 C ATOM 353 CE2 TYR A 25 -14.410 -0.374 -4.504 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.630 0.061 -5.583 1.00 1.00 C ATOM 355 OH TYR A 25 -14.240 0.503 -6.740 1.00 1.00 O ATOM 0 H TYR A 25 -11.956 -3.011 -3.727 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.720 -1.699 -2.678 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -12.446 -1.820 -1.333 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -11.336 -0.465 -1.403 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.542 -0.403 -4.249 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -14.389 -1.158 -2.497 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.628 0.384 -6.320 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.487 -0.365 -4.577 1.00 1.00 H new ATOM 0 HH TYR A 25 -15.213 0.445 -6.639 1.00 1.00 H new ATOM 365 N GLU A 26 -10.920 -4.081 -0.750 1.00 1.00 N ATOM 366 CA GLU A 26 -10.610 -4.885 0.429 1.00 1.00 C ATOM 367 C GLU A 26 -9.236 -5.529 0.303 1.00 1.00 C ATOM 368 O GLU A 26 -8.380 -5.373 1.183 1.00 1.00 O ATOM 369 CB GLU A 26 -11.680 -5.980 0.597 1.00 1.00 C ATOM 370 CG GLU A 26 -12.840 -5.452 1.444 1.00 1.00 C ATOM 371 CD GLU A 26 -13.940 -6.502 1.546 1.00 1.00 C ATOM 372 OE1 GLU A 26 -13.720 -7.605 1.074 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.980 -6.188 2.096 1.00 1.00 O ATOM 0 H GLU A 26 -11.741 -4.387 -1.273 1.00 1.00 H new ATOM 0 HA GLU A 26 -10.605 -4.233 1.302 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -12.046 -6.295 -0.380 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -11.242 -6.858 1.072 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -12.483 -5.191 2.440 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -13.238 -4.540 1.000 1.00 1.00 H new ATOM 380 N GLU A 27 -9.025 -6.249 -0.792 1.00 1.00 N ATOM 381 CA GLU A 27 -7.747 -6.915 -1.010 1.00 1.00 C ATOM 382 C GLU A 27 -6.629 -5.885 -1.172 1.00 1.00 C ATOM 383 O GLU A 27 -5.555 -6.019 -0.582 1.00 1.00 O ATOM 384 CB GLU A 27 -7.825 -7.796 -2.267 1.00 1.00 C ATOM 385 CG GLU A 27 -6.833 -8.953 -2.152 1.00 1.00 C ATOM 386 CD GLU A 27 -7.365 -9.999 -1.178 1.00 1.00 C ATOM 387 OE1 GLU A 27 -8.524 -9.900 -0.806 1.00 1.00 O ATOM 388 OE2 GLU A 27 -6.604 -10.870 -0.809 1.00 1.00 O ATOM 0 H GLU A 27 -9.712 -6.386 -1.534 1.00 1.00 H new ATOM 0 HA GLU A 27 -7.527 -7.539 -0.144 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -8.837 -8.183 -2.388 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -7.603 -7.201 -3.153 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -6.672 -9.404 -3.131 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -5.867 -8.582 -1.809 1.00 1.00 H new ATOM 395 N ALA A 28 -6.893 -4.854 -1.975 1.00 1.00 N ATOM 396 CA ALA A 28 -5.910 -3.811 -2.206 1.00 1.00 C ATOM 397 C ALA A 28 -5.517 -3.156 -0.891 1.00 1.00 C ATOM 398 O ALA A 28 -4.335 -2.914 -0.645 1.00 1.00 O ATOM 399 CB ALA A 28 -6.483 -2.754 -3.155 1.00 1.00 C ATOM 0 H ALA A 28 -7.775 -4.724 -2.471 1.00 1.00 H new ATOM 0 HA ALA A 28 -5.025 -4.260 -2.657 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.740 -1.975 -3.323 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.742 -3.220 -4.106 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -7.376 -2.313 -2.712 1.00 1.00 H new ATOM 405 N LEU A 29 -6.502 -2.869 -0.049 1.00 1.00 N ATOM 406 CA LEU A 29 -6.232 -2.230 1.226 1.00 1.00 C ATOM 407 C LEU A 29 -5.295 -3.073 2.074 1.00 1.00 C ATOM 408 O LEU A 29 -4.348 -2.549 2.670 1.00 1.00 O ATOM 409 CB LEU A 29 -7.556 -2.031 1.989 1.00 1.00 C ATOM 410 CG LEU A 29 -7.287 -1.534 3.418 1.00 1.00 C ATOM 411 CD1 LEU A 29 -6.836 -0.088 3.392 1.00 1.00 C ATOM 412 CD2 LEU A 29 -8.544 -1.670 4.260 1.00 1.00 C ATOM 0 H LEU A 29 -7.486 -3.068 -0.227 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.756 -1.269 1.032 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -8.182 -1.313 1.460 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -8.107 -2.971 2.023 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.496 -2.141 3.859 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -6.648 0.253 4.410 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -5.921 -0.003 2.806 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -7.614 0.528 2.941 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -8.345 -1.316 5.271 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -9.344 -1.076 3.818 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -8.847 -2.717 4.295 1.00 1.00 H new ATOM 424 N ARG A 30 -5.563 -4.370 2.138 1.00 1.00 N ATOM 425 CA ARG A 30 -4.730 -5.259 2.940 1.00 1.00 C ATOM 426 C ARG A 30 -3.290 -5.250 2.434 1.00 1.00 C ATOM 427 O ARG A 30 -2.338 -5.227 3.223 1.00 1.00 O ATOM 428 CB ARG A 30 -5.291 -6.679 2.879 1.00 1.00 C ATOM 429 CG ARG A 30 -6.597 -6.755 3.673 1.00 1.00 C ATOM 430 CD ARG A 30 -7.201 -8.155 3.539 1.00 1.00 C ATOM 431 NE ARG A 30 -6.318 -9.145 4.148 1.00 1.00 N ATOM 432 CZ ARG A 30 -6.381 -9.417 5.448 1.00 1.00 C ATOM 433 NH1 ARG A 30 -7.242 -8.792 6.204 1.00 1.00 N ATOM 434 NH2 ARG A 30 -5.583 -10.300 5.969 1.00 1.00 N ATOM 0 H ARG A 30 -6.337 -4.825 1.654 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.736 -4.907 3.972 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -5.468 -6.966 1.842 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -4.566 -7.384 3.286 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -6.410 -6.528 4.723 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -7.301 -6.008 3.306 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -8.179 -8.185 4.020 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -7.356 -8.393 2.487 1.00 1.00 H new ATOM 0 HE ARG A 30 -5.640 -9.637 3.566 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -7.866 -8.095 5.797 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -7.291 -9.000 7.201 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -4.906 -10.786 5.381 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -5.633 -10.507 6.967 1.00 1.00 H new ATOM 448 N LEU A 31 -3.135 -5.268 1.115 1.00 1.00 N ATOM 449 CA LEU A 31 -1.807 -5.263 0.513 1.00 1.00 C ATOM 450 C LEU A 31 -1.117 -3.926 0.752 1.00 1.00 C ATOM 451 O LEU A 31 0.088 -3.872 1.005 1.00 1.00 O ATOM 452 CB LEU A 31 -1.920 -5.527 -0.987 1.00 1.00 C ATOM 453 CG LEU A 31 -2.574 -6.894 -1.216 1.00 1.00 C ATOM 454 CD1 LEU A 31 -3.059 -6.992 -2.662 1.00 1.00 C ATOM 455 CD2 LEU A 31 -1.567 -8.014 -0.940 1.00 1.00 C ATOM 0 H LEU A 31 -3.905 -5.286 0.447 1.00 1.00 H new ATOM 0 HA LEU A 31 -1.211 -6.049 0.975 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.512 -4.744 -1.461 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.932 -5.503 -1.447 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.420 -7.000 -0.536 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -3.524 -7.964 -2.825 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.787 -6.204 -2.856 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.212 -6.877 -3.338 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.043 -8.980 -1.106 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -0.714 -7.910 -1.611 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -1.226 -7.950 0.093 1.00 1.00 H new ATOM 467 N TYR A 32 -1.884 -2.845 0.663 1.00 1.00 N ATOM 468 CA TYR A 32 -1.324 -1.516 0.865 1.00 1.00 C ATOM 469 C TYR A 32 -0.712 -1.389 2.258 1.00 1.00 C ATOM 470 O TYR A 32 0.427 -0.934 2.407 1.00 1.00 O ATOM 471 CB TYR A 32 -2.429 -0.454 0.698 1.00 1.00 C ATOM 472 CG TYR A 32 -2.558 -0.061 -0.758 1.00 1.00 C ATOM 473 CD1 TYR A 32 -1.462 0.511 -1.422 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.762 -0.265 -1.441 1.00 1.00 C ATOM 475 CE1 TYR A 32 -1.570 0.871 -2.768 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.869 0.099 -2.787 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.773 0.662 -3.450 1.00 1.00 C ATOM 478 OH TYR A 32 -2.884 1.012 -4.779 1.00 1.00 O ATOM 0 H TYR A 32 -2.882 -2.862 0.455 1.00 1.00 H new ATOM 0 HA TYR A 32 -0.542 -1.359 0.122 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -3.379 -0.846 1.062 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -2.194 0.424 1.300 1.00 1.00 H new ATOM 0 HD1 TYR A 32 -0.535 0.673 -0.893 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -4.607 -0.703 -0.930 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.726 1.310 -3.280 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.798 -0.055 -3.315 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.785 0.799 -5.099 1.00 1.00 H new ATOM 488 N GLN A 33 -1.472 -1.791 3.266 1.00 1.00 N ATOM 489 CA GLN A 33 -0.995 -1.709 4.641 1.00 1.00 C ATOM 490 C GLN A 33 0.227 -2.598 4.841 1.00 1.00 C ATOM 491 O GLN A 33 1.189 -2.217 5.521 1.00 1.00 O ATOM 492 CB GLN A 33 -2.110 -2.134 5.602 1.00 1.00 C ATOM 493 CG GLN A 33 -3.262 -1.128 5.532 1.00 1.00 C ATOM 494 CD GLN A 33 -4.368 -1.535 6.500 1.00 1.00 C ATOM 495 OE1 GLN A 33 -4.209 -2.488 7.263 1.00 1.00 O ATOM 496 NE2 GLN A 33 -5.486 -0.863 6.516 1.00 1.00 N ATOM 0 H GLN A 33 -2.412 -2.173 3.161 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.710 -0.678 4.849 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -2.468 -3.130 5.342 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.724 -2.190 6.620 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.900 -0.130 5.779 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.655 -1.082 4.516 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.616 -0.074 5.883 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -6.230 -1.127 7.161 1.00 1.00 H new ATOM 505 N HIS A 34 0.191 -3.782 4.240 1.00 1.00 N ATOM 506 CA HIS A 34 1.311 -4.711 4.362 1.00 1.00 C ATOM 507 C HIS A 34 2.560 -4.137 3.690 1.00 1.00 C ATOM 508 O HIS A 34 3.638 -4.102 4.285 1.00 1.00 O ATOM 509 CB HIS A 34 0.938 -6.053 3.709 1.00 1.00 C ATOM 510 CG HIS A 34 0.317 -6.964 4.732 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.958 -7.479 4.585 1.00 1.00 N ATOM 512 CD2 HIS A 34 0.787 -7.450 5.925 1.00 1.00 C ATOM 513 CE1 HIS A 34 -1.213 -8.240 5.665 1.00 1.00 C ATOM 514 NE2 HIS A 34 -0.182 -8.256 6.514 1.00 1.00 N ATOM 0 H HIS A 34 -0.587 -4.119 3.672 1.00 1.00 H new ATOM 0 HA HIS A 34 1.527 -4.866 5.419 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.242 -5.887 2.887 1.00 1.00 H new ATOM 0 HB3 HIS A 34 1.826 -6.520 3.284 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.589 -7.312 3.801 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.760 -7.239 6.343 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -2.139 -8.773 5.826 1.00 1.00 H new ATOM 523 N ALA A 35 2.404 -3.689 2.453 1.00 1.00 N ATOM 524 CA ALA A 35 3.527 -3.128 1.712 1.00 1.00 C ATOM 525 C ALA A 35 4.223 -2.049 2.535 1.00 1.00 C ATOM 526 O ALA A 35 5.446 -2.051 2.672 1.00 1.00 O ATOM 527 CB ALA A 35 3.028 -2.525 0.390 1.00 1.00 C ATOM 0 H ALA A 35 1.520 -3.702 1.944 1.00 1.00 H new ATOM 0 HA ALA A 35 4.240 -3.926 1.503 1.00 1.00 H new ATOM 0 HB1 ALA A 35 3.871 -2.107 -0.160 1.00 1.00 H new ATOM 0 HB2 ALA A 35 2.554 -3.303 -0.209 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.305 -1.737 0.600 1.00 1.00 H new ATOM 533 N VAL A 36 3.433 -1.127 3.073 1.00 1.00 N ATOM 534 CA VAL A 36 3.984 -0.038 3.868 1.00 1.00 C ATOM 535 C VAL A 36 4.786 -0.583 5.042 1.00 1.00 C ATOM 536 O VAL A 36 5.869 -0.081 5.355 1.00 1.00 O ATOM 537 CB VAL A 36 2.858 0.870 4.378 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.415 1.828 5.445 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.275 1.677 3.198 1.00 1.00 C ATOM 0 H VAL A 36 2.418 -1.112 2.974 1.00 1.00 H new ATOM 0 HA VAL A 36 4.650 0.546 3.233 1.00 1.00 H new ATOM 0 HB VAL A 36 2.069 0.262 4.821 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.615 2.473 5.808 1.00 1.00 H new ATOM 0 HG12 VAL A 36 3.821 1.251 6.276 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.205 2.439 5.008 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.475 2.323 3.559 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.060 2.287 2.751 1.00 1.00 H new ATOM 0 HG23 VAL A 36 1.878 0.991 2.449 1.00 1.00 H new ATOM 549 N GLU A 37 4.243 -1.600 5.696 1.00 1.00 N ATOM 550 CA GLU A 37 4.921 -2.193 6.845 1.00 1.00 C ATOM 551 C GLU A 37 6.339 -2.626 6.476 1.00 1.00 C ATOM 552 O GLU A 37 7.303 -2.290 7.167 1.00 1.00 O ATOM 553 CB GLU A 37 4.133 -3.415 7.325 1.00 1.00 C ATOM 554 CG GLU A 37 4.518 -3.743 8.769 1.00 1.00 C ATOM 555 CD GLU A 37 3.952 -2.684 9.710 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.250 -1.809 9.230 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.236 -2.759 10.895 1.00 1.00 O ATOM 0 H GLU A 37 3.348 -2.028 5.457 1.00 1.00 H new ATOM 0 HA GLU A 37 4.977 -1.446 7.636 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.063 -3.218 7.260 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.340 -4.269 6.680 1.00 1.00 H new ATOM 0 HG2 GLU A 37 4.136 -4.727 9.042 1.00 1.00 H new ATOM 0 HG3 GLU A 37 5.603 -3.785 8.865 1.00 1.00 H new ATOM 564 N TYR A 38 6.459 -3.367 5.380 1.00 1.00 N ATOM 565 CA TYR A 38 7.770 -3.833 4.933 1.00 1.00 C ATOM 566 C TYR A 38 8.662 -2.657 4.548 1.00 1.00 C ATOM 567 O TYR A 38 9.868 -2.667 4.801 1.00 1.00 O ATOM 568 CB TYR A 38 7.616 -4.785 3.742 1.00 1.00 C ATOM 569 CG TYR A 38 7.254 -6.168 4.233 1.00 1.00 C ATOM 570 CD1 TYR A 38 5.965 -6.433 4.694 1.00 1.00 C ATOM 571 CD2 TYR A 38 8.219 -7.182 4.229 1.00 1.00 C ATOM 572 CE1 TYR A 38 5.632 -7.711 5.151 1.00 1.00 C ATOM 573 CE2 TYR A 38 7.889 -8.461 4.685 1.00 1.00 C ATOM 574 CZ TYR A 38 6.595 -8.726 5.147 1.00 1.00 C ATOM 575 OH TYR A 38 6.268 -9.989 5.598 1.00 1.00 O ATOM 0 H TYR A 38 5.678 -3.656 4.791 1.00 1.00 H new ATOM 0 HA TYR A 38 8.241 -4.367 5.758 1.00 1.00 H new ATOM 0 HB2 TYR A 38 6.844 -4.415 3.067 1.00 1.00 H new ATOM 0 HB3 TYR A 38 8.545 -4.823 3.173 1.00 1.00 H new ATOM 0 HD1 TYR A 38 5.222 -5.649 4.698 1.00 1.00 H new ATOM 0 HD2 TYR A 38 9.218 -6.976 3.874 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.633 -7.915 5.507 1.00 1.00 H new ATOM 0 HE2 TYR A 38 8.632 -9.245 4.681 1.00 1.00 H new ATOM 0 HH TYR A 38 7.051 -10.575 5.527 1.00 1.00 H new ATOM 585 N PHE A 39 8.067 -1.647 3.932 1.00 1.00 N ATOM 586 CA PHE A 39 8.831 -0.472 3.519 1.00 1.00 C ATOM 587 C PHE A 39 9.469 0.208 4.732 1.00 1.00 C ATOM 588 O PHE A 39 10.672 0.503 4.733 1.00 1.00 O ATOM 589 CB PHE A 39 7.896 0.522 2.801 1.00 1.00 C ATOM 590 CG PHE A 39 7.830 0.201 1.324 1.00 1.00 C ATOM 591 CD1 PHE A 39 8.997 0.248 0.555 1.00 1.00 C ATOM 592 CD2 PHE A 39 6.615 -0.146 0.726 1.00 1.00 C ATOM 593 CE1 PHE A 39 8.956 -0.054 -0.805 1.00 1.00 C ATOM 594 CE2 PHE A 39 6.571 -0.447 -0.639 1.00 1.00 C ATOM 595 CZ PHE A 39 7.741 -0.401 -1.405 1.00 1.00 C ATOM 0 H PHE A 39 7.072 -1.613 3.708 1.00 1.00 H new ATOM 0 HA PHE A 39 9.623 -0.789 2.841 1.00 1.00 H new ATOM 0 HB2 PHE A 39 6.898 0.474 3.236 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.257 1.541 2.944 1.00 1.00 H new ATOM 0 HD1 PHE A 39 9.935 0.520 1.017 1.00 1.00 H new ATOM 0 HD2 PHE A 39 5.712 -0.182 1.317 1.00 1.00 H new ATOM 0 HE1 PHE A 39 9.860 -0.020 -1.394 1.00 1.00 H new ATOM 0 HE2 PHE A 39 5.633 -0.715 -1.102 1.00 1.00 H new ATOM 0 HZ PHE A 39 7.706 -0.633 -2.459 1.00 1.00 H new ATOM 605 N LEU A 40 8.663 0.446 5.759 1.00 1.00 N ATOM 606 CA LEU A 40 9.154 1.087 6.973 1.00 1.00 C ATOM 607 C LEU A 40 10.212 0.212 7.639 1.00 1.00 C ATOM 608 O LEU A 40 11.191 0.708 8.205 1.00 1.00 O ATOM 609 CB LEU A 40 7.998 1.323 7.943 1.00 1.00 C ATOM 610 CG LEU A 40 6.987 2.288 7.311 1.00 1.00 C ATOM 611 CD1 LEU A 40 5.676 2.238 8.100 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.540 3.721 7.333 1.00 1.00 C ATOM 0 H LEU A 40 7.672 0.206 5.776 1.00 1.00 H new ATOM 0 HA LEU A 40 9.601 2.045 6.706 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.512 0.377 8.183 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.374 1.735 8.879 1.00 1.00 H new ATOM 0 HG LEU A 40 6.808 1.991 6.278 1.00 1.00 H new ATOM 0 HD11 LEU A 40 4.956 2.923 7.653 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.276 1.224 8.077 1.00 1.00 H new ATOM 0 HD13 LEU A 40 5.862 2.531 9.133 1.00 1.00 H new ATOM 0 HD21 LEU A 40 6.814 4.398 6.882 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.727 4.023 8.364 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.472 3.760 6.769 1.00 1.00 H new ATOM 624 N HIS A 41 10.013 -1.096 7.564 1.00 1.00 N ATOM 625 CA HIS A 41 10.958 -2.031 8.161 1.00 1.00 C ATOM 626 C HIS A 41 12.264 -2.058 7.367 1.00 1.00 C ATOM 627 O HIS A 41 13.318 -2.373 7.896 1.00 1.00 O ATOM 628 CB HIS A 41 10.353 -3.437 8.192 1.00 1.00 C ATOM 629 CG HIS A 41 11.216 -4.342 9.033 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.311 -5.012 8.512 1.00 1.00 N ATOM 631 CD2 HIS A 41 11.157 -4.694 10.359 1.00 1.00 C ATOM 632 CE1 HIS A 41 12.863 -5.726 9.509 1.00 1.00 C ATOM 633 NE2 HIS A 41 12.200 -5.569 10.658 1.00 1.00 N ATOM 0 H HIS A 41 9.215 -1.531 7.101 1.00 1.00 H new ATOM 0 HA HIS A 41 11.170 -1.701 9.178 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.343 -3.400 8.600 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.274 -3.832 7.179 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.416 -4.346 11.063 1.00 1.00 H new ATOM 0 HE1 HIS A 41 13.737 -6.351 9.395 1.00 1.00 H new ATOM 0 HE2 HIS A 41 12.411 -5.997 11.559 1.00 1.00 H new ATOM 642 N ALA A 42 12.183 -1.739 6.091 1.00 1.00 N ATOM 643 CA ALA A 42 13.361 -1.744 5.243 1.00 1.00 C ATOM 644 C ALA A 42 14.293 -0.588 5.586 1.00 1.00 C ATOM 645 O ALA A 42 15.483 -0.767 5.767 1.00 1.00 O ATOM 646 CB ALA A 42 12.962 -1.621 3.775 1.00 1.00 C ATOM 0 H ALA A 42 11.319 -1.474 5.619 1.00 1.00 H new ATOM 0 HA ALA A 42 13.878 -2.688 5.414 1.00 1.00 H new ATOM 0 HB1 ALA A 42 13.857 -1.626 3.153 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.324 -2.461 3.500 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.420 -0.688 3.622 1.00 1.00 H new ATOM 652 N ILE A 43 13.731 0.600 5.704 1.00 1.00 N ATOM 653 CA ILE A 43 14.538 1.779 6.032 1.00 1.00 C ATOM 654 C ILE A 43 15.078 1.709 7.454 1.00 1.00 C ATOM 655 O ILE A 43 16.165 2.220 7.741 1.00 1.00 O ATOM 656 CB ILE A 43 13.690 3.041 5.865 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.328 2.829 6.523 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.496 3.337 4.379 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.534 4.134 6.507 1.00 1.00 C ATOM 0 H ILE A 43 12.735 0.782 5.581 1.00 1.00 H new ATOM 0 HA ILE A 43 15.388 1.808 5.351 1.00 1.00 H new ATOM 0 HB ILE A 43 14.197 3.882 6.338 1.00 1.00 H new ATOM 0 HG12 ILE A 43 11.776 2.051 5.995 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.460 2.486 7.549 1.00 1.00 H new ATOM 0 HG21 ILE A 43 12.891 4.237 4.263 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.467 3.489 3.909 1.00 1.00 H new ATOM 0 HG23 ILE A 43 12.991 2.496 3.904 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.564 3.975 6.978 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.082 4.900 7.055 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.389 4.459 5.477 1.00 1.00 H new ATOM 671 N LYS A 44 14.313 1.090 8.346 1.00 1.00 N ATOM 672 CA LYS A 44 14.737 0.985 9.735 1.00 1.00 C ATOM 673 C LYS A 44 15.723 -0.149 9.962 1.00 1.00 C ATOM 674 O LYS A 44 16.792 0.040 10.546 1.00 1.00 O ATOM 675 CB LYS A 44 13.518 0.735 10.634 1.00 1.00 C ATOM 676 CG LYS A 44 12.629 1.952 10.656 1.00 1.00 C ATOM 677 CD LYS A 44 11.430 1.722 11.577 1.00 1.00 C ATOM 678 CE LYS A 44 10.469 2.907 11.484 1.00 1.00 C ATOM 679 NZ LYS A 44 9.294 2.671 12.375 1.00 1.00 N ATOM 0 H LYS A 44 13.412 0.661 8.137 1.00 1.00 H new ATOM 0 HA LYS A 44 15.228 1.926 9.981 1.00 1.00 H new ATOM 0 HB2 LYS A 44 12.959 -0.126 10.269 1.00 1.00 H new ATOM 0 HB3 LYS A 44 13.846 0.497 11.646 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.196 2.818 10.997 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.283 2.175 9.647 1.00 1.00 H new ATOM 0 HD2 LYS A 44 10.916 0.803 11.297 1.00 1.00 H new ATOM 0 HD3 LYS A 44 11.769 1.597 12.605 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.979 3.825 11.774 1.00 1.00 H new ATOM 0 HE3 LYS A 44 10.137 3.039 10.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 8.642 3.478 12.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 8.802 1.804 12.079 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 9.619 2.566 13.357 1.00 1.00 H new ATOM 802 N ALA A 52 16.800 7.747 -0.992 1.00 1.00 N ATOM 803 CA ALA A 52 16.147 6.445 -0.902 1.00 1.00 C ATOM 804 C ALA A 52 15.143 6.456 0.248 1.00 1.00 C ATOM 805 O ALA A 52 13.970 6.185 0.047 1.00 1.00 O ATOM 806 CB ALA A 52 17.190 5.364 -0.648 1.00 1.00 C ATOM 0 HA ALA A 52 15.629 6.238 -1.839 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.699 4.393 -0.581 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.908 5.352 -1.468 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.710 5.573 0.287 1.00 1.00 H new ATOM 812 N LYS A 53 15.612 6.798 1.446 1.00 1.00 N ATOM 813 CA LYS A 53 14.731 6.848 2.611 1.00 1.00 C ATOM 814 C LYS A 53 13.563 7.789 2.355 1.00 1.00 C ATOM 815 O LYS A 53 12.410 7.435 2.598 1.00 1.00 O ATOM 816 CB LYS A 53 15.526 7.332 3.845 1.00 1.00 C ATOM 817 CG LYS A 53 15.834 6.150 4.770 1.00 1.00 C ATOM 818 CD LYS A 53 16.960 5.295 4.163 1.00 1.00 C ATOM 819 CE LYS A 53 18.286 5.644 4.837 1.00 1.00 C ATOM 820 NZ LYS A 53 18.614 7.073 4.562 1.00 1.00 N ATOM 0 H LYS A 53 16.584 7.042 1.635 1.00 1.00 H new ATOM 0 HA LYS A 53 14.341 5.847 2.797 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.454 7.806 3.526 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.952 8.086 4.384 1.00 1.00 H new ATOM 0 HG2 LYS A 53 16.131 6.514 5.754 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.939 5.543 4.911 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.739 4.236 4.297 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.028 5.473 3.090 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.217 5.474 5.912 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.080 4.998 4.462 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.593 7.267 4.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.512 7.263 3.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.966 7.687 5.095 1.00 1.00 H new ATOM 834 N GLU A 54 13.865 8.979 1.857 1.00 1.00 N ATOM 835 CA GLU A 54 12.826 9.953 1.564 1.00 1.00 C ATOM 836 C GLU A 54 11.810 9.365 0.595 1.00 1.00 C ATOM 837 O GLU A 54 10.613 9.641 0.695 1.00 1.00 O ATOM 838 CB GLU A 54 13.451 11.213 0.958 1.00 1.00 C ATOM 839 CG GLU A 54 14.118 12.034 2.060 1.00 1.00 C ATOM 840 CD GLU A 54 14.804 13.259 1.462 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.678 13.457 0.265 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.446 13.979 2.210 1.00 1.00 O ATOM 0 H GLU A 54 14.814 9.291 1.649 1.00 1.00 H new ATOM 0 HA GLU A 54 12.317 10.214 2.492 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.185 10.939 0.200 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.685 11.808 0.460 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.373 12.346 2.792 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.848 11.421 2.589 1.00 1.00 H new ATOM 849 N SER A 55 12.289 8.552 -0.342 1.00 1.00 N ATOM 850 CA SER A 55 11.404 7.930 -1.311 1.00 1.00 C ATOM 851 C SER A 55 10.439 6.976 -0.610 1.00 1.00 C ATOM 852 O SER A 55 9.253 6.925 -0.931 1.00 1.00 O ATOM 853 CB SER A 55 12.223 7.164 -2.356 1.00 1.00 C ATOM 854 OG SER A 55 13.180 8.036 -2.934 1.00 1.00 O ATOM 0 H SER A 55 13.275 8.313 -0.448 1.00 1.00 H new ATOM 0 HA SER A 55 10.830 8.711 -1.810 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.723 6.314 -1.891 1.00 1.00 H new ATOM 0 HB3 SER A 55 11.566 6.764 -3.128 1.00 1.00 H new ATOM 0 HG SER A 55 13.706 7.548 -3.601 1.00 1.00 H new ATOM 860 N ILE A 56 10.960 6.205 0.337 1.00 1.00 N ATOM 861 CA ILE A 56 10.133 5.244 1.052 1.00 1.00 C ATOM 862 C ILE A 56 9.125 5.969 1.937 1.00 1.00 C ATOM 863 O ILE A 56 7.954 5.621 1.963 1.00 1.00 O ATOM 864 CB ILE A 56 11.024 4.347 1.926 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.239 3.877 1.116 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.231 3.122 2.386 1.00 1.00 C ATOM 867 CD1 ILE A 56 11.800 3.390 -0.258 1.00 1.00 C ATOM 0 H ILE A 56 11.939 6.226 0.624 1.00 1.00 H new ATOM 0 HA ILE A 56 9.596 4.634 0.326 1.00 1.00 H new ATOM 0 HB ILE A 56 11.357 4.917 2.793 1.00 1.00 H new ATOM 0 HG12 ILE A 56 12.952 4.694 1.009 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.751 3.075 1.647 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.866 2.489 3.005 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.366 3.445 2.965 1.00 1.00 H new ATOM 0 HG23 ILE A 56 9.895 2.558 1.516 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.672 3.059 -0.823 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.105 2.558 -0.144 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.309 4.203 -0.792 1.00 1.00 H new ATOM 879 N ARG A 57 9.605 6.965 2.671 1.00 1.00 N ATOM 880 CA ARG A 57 8.731 7.721 3.566 1.00 1.00 C ATOM 881 C ARG A 57 7.614 8.392 2.770 1.00 1.00 C ATOM 882 O ARG A 57 6.432 8.153 3.014 1.00 1.00 O ATOM 883 CB ARG A 57 9.541 8.785 4.306 1.00 1.00 C ATOM 884 CG ARG A 57 10.557 8.106 5.227 1.00 1.00 C ATOM 885 CD ARG A 57 11.236 9.159 6.104 1.00 1.00 C ATOM 886 NE ARG A 57 12.230 8.533 6.967 1.00 1.00 N ATOM 887 CZ ARG A 57 12.744 9.183 8.008 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.357 10.400 8.273 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.635 8.602 8.765 1.00 1.00 N ATOM 0 H ARG A 57 10.579 7.267 2.667 1.00 1.00 H new ATOM 0 HA ARG A 57 8.290 7.034 4.288 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.055 9.428 3.591 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.876 9.423 4.888 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.059 7.364 5.851 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.302 7.575 4.635 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.712 9.913 5.477 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.490 9.673 6.710 1.00 1.00 H new ATOM 0 HE ARG A 57 12.537 7.580 6.770 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.660 10.854 7.682 1.00 1.00 H new ATOM 0 HH12 ARG A 57 12.751 10.898 9.071 1.00 1.00 H new ATOM 0 HH21 ARG A 57 13.937 7.650 8.558 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.029 9.100 9.563 1.00 1.00 H new ATOM 903 N ALA A 58 7.993 9.234 1.820 1.00 1.00 N ATOM 904 CA ALA A 58 7.009 9.937 1.002 1.00 1.00 C ATOM 905 C ALA A 58 6.013 8.951 0.394 1.00 1.00 C ATOM 906 O ALA A 58 4.792 9.126 0.504 1.00 1.00 O ATOM 907 CB ALA A 58 7.722 10.701 -0.119 1.00 1.00 C ATOM 0 H ALA A 58 8.965 9.448 1.596 1.00 1.00 H new ATOM 0 HA ALA A 58 6.466 10.637 1.636 1.00 1.00 H new ATOM 0 HB1 ALA A 58 6.985 11.225 -0.728 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.413 11.423 0.315 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.275 9.999 -0.743 1.00 1.00 H new ATOM 913 N LYS A 59 6.538 7.908 -0.239 1.00 1.00 N ATOM 914 CA LYS A 59 5.688 6.904 -0.857 1.00 1.00 C ATOM 915 C LYS A 59 4.828 6.201 0.178 1.00 1.00 C ATOM 916 O LYS A 59 3.641 5.964 -0.047 1.00 1.00 O ATOM 917 CB LYS A 59 6.547 5.892 -1.611 1.00 1.00 C ATOM 918 CG LYS A 59 7.209 6.575 -2.821 1.00 1.00 C ATOM 919 CD LYS A 59 6.165 6.882 -3.902 1.00 1.00 C ATOM 920 CE LYS A 59 5.483 5.585 -4.357 1.00 1.00 C ATOM 921 NZ LYS A 59 5.113 5.698 -5.784 1.00 1.00 N ATOM 0 H LYS A 59 7.539 7.738 -0.336 1.00 1.00 H new ATOM 0 HA LYS A 59 5.021 7.403 -1.560 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.310 5.483 -0.949 1.00 1.00 H new ATOM 0 HB3 LYS A 59 5.933 5.055 -1.944 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.695 7.498 -2.504 1.00 1.00 H new ATOM 0 HG3 LYS A 59 7.986 5.929 -3.230 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.421 7.577 -3.513 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.642 7.369 -4.752 1.00 1.00 H new ATOM 0 HE2 LYS A 59 6.153 4.738 -4.210 1.00 1.00 H new ATOM 0 HE3 LYS A 59 4.595 5.397 -3.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 4.760 4.781 -6.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 4.370 6.418 -5.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 5.948 5.975 -6.338 1.00 1.00 H new ATOM 935 N CYS A 60 5.432 5.871 1.307 1.00 1.00 N ATOM 936 CA CYS A 60 4.716 5.194 2.380 1.00 1.00 C ATOM 937 C CYS A 60 3.454 5.982 2.726 1.00 1.00 C ATOM 938 O CYS A 60 2.393 5.401 2.956 1.00 1.00 O ATOM 939 CB CYS A 60 5.618 5.076 3.611 1.00 1.00 C ATOM 940 SG CYS A 60 6.669 3.615 3.448 1.00 1.00 S ATOM 0 H CYS A 60 6.414 6.059 1.506 1.00 1.00 H new ATOM 0 HA CYS A 60 4.434 4.193 2.054 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.233 5.970 3.712 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.012 5.002 4.514 1.00 1.00 H new ATOM 0 HG CYS A 60 7.536 3.808 2.499 1.00 1.00 H new ATOM 946 N VAL A 61 3.576 7.306 2.745 1.00 1.00 N ATOM 947 CA VAL A 61 2.430 8.159 3.039 1.00 1.00 C ATOM 948 C VAL A 61 1.375 7.990 1.947 1.00 1.00 C ATOM 949 O VAL A 61 0.191 7.822 2.235 1.00 1.00 O ATOM 950 CB VAL A 61 2.867 9.619 3.112 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.649 10.509 3.365 1.00 1.00 C ATOM 952 CG2 VAL A 61 3.870 9.789 4.250 1.00 1.00 C ATOM 0 H VAL A 61 4.446 7.806 2.563 1.00 1.00 H new ATOM 0 HA VAL A 61 2.007 7.869 4.001 1.00 1.00 H new ATOM 0 HB VAL A 61 3.332 9.907 2.169 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.964 11.551 3.417 1.00 1.00 H new ATOM 0 HG12 VAL A 61 0.933 10.386 2.552 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.180 10.225 4.307 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.185 10.831 4.305 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.404 9.500 5.192 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.739 9.157 4.067 1.00 1.00 H new ATOM 962 N GLN A 62 1.814 8.054 0.689 1.00 1.00 N ATOM 963 CA GLN A 62 0.887 7.916 -0.434 1.00 1.00 C ATOM 964 C GLN A 62 0.114 6.602 -0.330 1.00 1.00 C ATOM 965 O GLN A 62 -1.113 6.573 -0.478 1.00 1.00 O ATOM 966 CB GLN A 62 1.665 7.942 -1.751 1.00 1.00 C ATOM 967 CG GLN A 62 2.416 9.269 -1.874 1.00 1.00 C ATOM 968 CD GLN A 62 3.218 9.300 -3.171 1.00 1.00 C ATOM 969 OE1 GLN A 62 2.703 8.939 -4.230 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.457 9.709 -3.149 1.00 1.00 N ATOM 0 H GLN A 62 2.789 8.198 0.425 1.00 1.00 H new ATOM 0 HA GLN A 62 0.181 8.746 -0.406 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.368 7.110 -1.787 1.00 1.00 H new ATOM 0 HB3 GLN A 62 0.982 7.819 -2.592 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.709 10.099 -1.855 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.083 9.398 -1.022 1.00 1.00 H new ATOM 0 HE21 GLN A 62 4.880 10.007 -2.270 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.002 9.731 -4.011 1.00 1.00 H new ATOM 979 N TYR A 63 0.837 5.519 -0.063 1.00 1.00 N ATOM 980 CA TYR A 63 0.206 4.214 0.066 1.00 1.00 C ATOM 981 C TYR A 63 -0.766 4.189 1.231 1.00 1.00 C ATOM 982 O TYR A 63 -1.919 3.780 1.076 1.00 1.00 O ATOM 983 CB TYR A 63 1.276 3.133 0.266 1.00 1.00 C ATOM 984 CG TYR A 63 2.177 3.062 -0.952 1.00 1.00 C ATOM 985 CD1 TYR A 63 1.627 3.039 -2.242 1.00 1.00 C ATOM 986 CD2 TYR A 63 3.568 3.015 -0.794 1.00 1.00 C ATOM 987 CE1 TYR A 63 2.456 2.976 -3.357 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.398 2.952 -1.916 1.00 1.00 C ATOM 989 CZ TYR A 63 3.841 2.935 -3.199 1.00 1.00 C ATOM 990 OH TYR A 63 4.657 2.873 -4.307 1.00 1.00 O ATOM 0 H TYR A 63 1.849 5.520 0.067 1.00 1.00 H new ATOM 0 HA TYR A 63 -0.349 4.015 -0.851 1.00 1.00 H new ATOM 0 HB2 TYR A 63 1.868 3.356 1.154 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.801 2.166 0.434 1.00 1.00 H new ATOM 0 HD1 TYR A 63 0.555 3.070 -2.370 1.00 1.00 H new ATOM 0 HD2 TYR A 63 3.999 3.027 0.196 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.026 2.959 -4.348 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.470 2.916 -1.793 1.00 1.00 H new ATOM 0 HH TYR A 63 4.133 3.071 -5.111 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.301 4.626 2.394 1.00 1.00 N ATOM 1001 CA LEU A 64 -1.155 4.633 3.570 1.00 1.00 C ATOM 1002 C LEU A 64 -2.381 5.494 3.339 1.00 1.00 C ATOM 1003 O LEU A 64 -3.501 5.062 3.604 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.365 5.173 4.778 1.00 1.00 C ATOM 1005 CG LEU A 64 0.264 4.015 5.553 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.296 4.560 6.544 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.833 3.246 6.317 1.00 1.00 C ATOM 0 H LEU A 64 0.646 4.974 2.546 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.481 3.612 3.769 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.412 5.858 4.438 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -1.027 5.741 5.431 1.00 1.00 H new ATOM 0 HG LEU A 64 0.757 3.339 4.854 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.743 3.733 7.095 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.074 5.097 6.001 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.807 5.239 7.242 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.382 2.421 6.869 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.331 3.920 7.014 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.562 2.853 5.609 1.00 1.00 H new ATOM 1019 N ASP A 65 -2.177 6.707 2.840 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.289 7.610 2.594 1.00 1.00 C ATOM 1021 C ASP A 65 -4.359 6.902 1.775 1.00 1.00 C ATOM 1022 O ASP A 65 -5.546 6.958 2.110 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.783 8.834 1.822 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.926 9.815 1.589 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.271 10.521 2.521 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -4.439 9.844 0.484 1.00 1.00 O ATOM 0 H ASP A 65 -1.260 7.084 2.600 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.717 7.924 3.546 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.984 9.321 2.380 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.361 8.522 0.867 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.935 6.215 0.714 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.877 5.477 -0.121 1.00 1.00 C ATOM 1033 C ARG A 66 -5.605 4.427 0.710 1.00 1.00 C ATOM 1034 O ARG A 66 -6.822 4.269 0.610 1.00 1.00 O ATOM 1035 CB ARG A 66 -4.135 4.812 -1.277 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.673 5.887 -2.274 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.807 6.215 -3.250 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.225 5.005 -3.953 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.015 5.068 -5.017 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.429 6.226 -5.451 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.376 3.973 -5.628 1.00 1.00 N ATOM 0 H ARG A 66 -2.961 6.155 0.417 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.612 6.173 -0.526 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -3.276 4.257 -0.901 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.786 4.094 -1.776 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -3.371 6.787 -1.738 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.800 5.535 -2.823 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.652 6.642 -2.709 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.475 6.966 -3.967 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.904 4.096 -3.620 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.145 7.081 -4.973 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.036 6.277 -6.269 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.051 3.068 -5.288 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -6.983 4.022 -6.446 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.850 3.703 1.523 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.435 2.670 2.367 1.00 1.00 C ATOM 1057 C ALA A 67 -6.453 3.284 3.327 1.00 1.00 C ATOM 1058 O ALA A 67 -7.504 2.703 3.588 1.00 1.00 O ATOM 1059 CB ALA A 67 -4.329 1.972 3.177 1.00 1.00 C ATOM 0 H ALA A 67 -3.840 3.809 1.617 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.938 1.942 1.730 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.771 1.200 3.807 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.611 1.517 2.495 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.820 2.704 3.804 1.00 1.00 H new ATOM 1065 N GLU A 68 -6.128 4.455 3.857 1.00 1.00 N ATOM 1066 CA GLU A 68 -7.014 5.129 4.795 1.00 1.00 C ATOM 1067 C GLU A 68 -8.363 5.421 4.159 1.00 1.00 C ATOM 1068 O GLU A 68 -9.401 5.029 4.687 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.376 6.445 5.259 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.211 6.153 6.200 1.00 1.00 C ATOM 1071 CD GLU A 68 -5.732 5.599 7.522 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -6.599 6.230 8.104 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -5.255 4.555 7.935 1.00 1.00 O ATOM 0 H GLU A 68 -5.262 4.955 3.655 1.00 1.00 H new ATOM 0 HA GLU A 68 -7.168 4.470 5.649 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -6.025 7.013 4.397 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -7.119 7.061 5.766 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -4.532 5.436 5.739 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.640 7.064 6.378 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.342 6.111 3.023 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.579 6.451 2.331 1.00 1.00 C ATOM 1082 C LYS A 69 -10.320 5.187 1.909 1.00 1.00 C ATOM 1083 O LYS A 69 -11.550 5.133 1.953 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.277 7.321 1.118 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.299 6.596 0.211 1.00 1.00 C ATOM 1086 CD LYS A 69 -8.065 7.417 -1.080 1.00 1.00 C ATOM 1087 CE LYS A 69 -8.251 6.514 -2.302 1.00 1.00 C ATOM 1088 NZ LYS A 69 -7.492 5.245 -2.107 1.00 1.00 N ATOM 0 H LYS A 69 -7.492 6.442 2.567 1.00 1.00 H new ATOM 0 HA LYS A 69 -10.219 7.011 3.013 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.197 7.542 0.577 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.857 8.275 1.436 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.353 6.443 0.731 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.687 5.609 -0.041 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -8.763 8.253 -1.123 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.061 7.840 -1.077 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.309 6.298 -2.449 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -7.902 7.024 -3.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -8.008 4.460 -2.553 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -6.551 5.333 -2.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -7.387 5.056 -1.090 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.563 4.172 1.499 1.00 1.00 N ATOM 1103 CA LEU A 70 -10.150 2.917 1.071 1.00 1.00 C ATOM 1104 C LEU A 70 -10.970 2.309 2.193 1.00 1.00 C ATOM 1105 O LEU A 70 -12.130 1.940 2.002 1.00 1.00 O ATOM 1106 CB LEU A 70 -9.056 1.941 0.635 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.608 2.268 -0.800 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -7.221 1.670 -1.054 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.611 1.667 -1.803 1.00 1.00 C ATOM 0 H LEU A 70 -8.544 4.200 1.456 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.806 3.113 0.223 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -8.206 2.006 1.315 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.428 0.918 0.686 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.568 3.350 -0.926 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.905 1.903 -2.071 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.507 2.093 -0.347 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.262 0.588 -0.925 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -9.293 1.899 -2.819 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.651 0.585 -1.674 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.600 2.090 -1.627 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.380 2.238 3.360 1.00 1.00 N ATOM 1122 CA LYS A 71 -11.050 1.706 4.534 1.00 1.00 C ATOM 1123 C LYS A 71 -12.100 2.690 5.036 1.00 1.00 C ATOM 1124 O LYS A 71 -13.040 2.312 5.745 1.00 1.00 O ATOM 1125 CB LYS A 71 -10.040 1.429 5.651 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.730 0.641 6.773 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.685 0.178 7.791 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.897 1.385 8.307 1.00 1.00 C ATOM 1129 NZ LYS A 71 -8.254 1.041 9.604 1.00 1.00 N ATOM 0 H LYS A 71 -9.422 2.546 3.529 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.536 0.772 4.252 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -9.194 0.863 5.260 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.644 2.367 6.040 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.478 1.265 7.262 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -11.254 -0.220 6.358 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -10.173 -0.332 8.622 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.008 -0.541 7.330 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -8.139 1.676 7.579 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -9.562 2.239 8.434 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.719 1.861 9.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -8.986 0.783 10.297 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.607 0.238 9.469 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.930 3.964 4.697 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.840 4.995 5.165 1.00 1.00 C ATOM 1145 C ASP A 72 -14.250 4.831 4.600 1.00 1.00 C ATOM 1146 O ASP A 72 -15.230 4.712 5.349 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.310 6.377 4.738 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.040 7.483 5.501 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.130 7.375 6.714 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.490 8.419 4.865 1.00 1.00 O ATOM 0 H ASP A 72 -11.173 4.303 4.103 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.893 4.905 6.250 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.239 6.439 4.930 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.450 6.512 3.665 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.340 4.810 3.274 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.640 4.667 2.618 1.00 1.00 C ATOM 1157 C TYR A 73 -16.100 3.221 2.649 1.00 1.00 C ATOM 1158 O TYR A 73 -17.300 2.939 2.618 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.580 5.208 1.197 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.930 4.203 0.287 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.640 3.069 -0.119 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.620 4.394 -0.144 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -15.050 2.129 -0.945 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -13.020 3.454 -0.981 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.730 2.322 -1.380 1.00 1.00 C ATOM 1166 OH TYR A 73 -13.130 1.390 -2.188 1.00 1.00 O ATOM 0 H TYR A 73 -13.545 4.888 2.640 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.376 5.255 3.166 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.586 5.433 0.843 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.019 6.142 1.179 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.657 2.926 0.215 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -13.070 5.269 0.169 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.601 1.253 -1.253 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -12.005 3.603 -1.320 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.486 0.501 -1.982 1.00 1.00 H new ATOM 1176 N LEU A 74 -15.140 2.298 2.676 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.480 0.881 2.705 1.00 1.00 C ATOM 1178 C LEU A 74 -16.290 0.584 3.962 1.00 1.00 C ATOM 1179 O LEU A 74 -17.350 -0.036 3.888 1.00 1.00 O ATOM 1180 CB LEU A 74 -14.190 0.055 2.734 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.680 -0.170 1.308 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -12.220 -0.681 1.337 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.600 -1.200 0.597 1.00 1.00 C ATOM 0 H LEU A 74 -14.141 2.502 2.678 1.00 1.00 H new ATOM 0 HA LEU A 74 -16.064 0.625 1.821 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.432 0.571 3.323 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -14.373 -0.904 3.219 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.700 0.772 0.760 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.869 -0.837 0.317 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.586 0.056 1.830 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -12.175 -1.622 1.884 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -14.243 -1.366 -0.420 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.584 -2.142 1.145 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.620 -0.816 0.566 1.00 1.00 H new ATOM 1273 N PRO B 171 6.324 1.960 -7.488 1.00 1.00 N ATOM 1274 CA PRO B 171 5.108 2.171 -8.329 1.00 1.00 C ATOM 1275 C PRO B 171 4.210 3.271 -7.773 1.00 1.00 C ATOM 1276 O PRO B 171 4.267 3.593 -6.588 1.00 1.00 O ATOM 1277 CB PRO B 171 4.396 0.810 -8.285 1.00 1.00 C ATOM 1278 CG PRO B 171 4.866 0.173 -7.022 1.00 1.00 C ATOM 1279 CD PRO B 171 6.295 0.640 -6.833 1.00 1.00 C ATOM 0 HA PRO B 171 5.359 2.494 -9.339 1.00 1.00 H new ATOM 0 HB2 PRO B 171 3.313 0.930 -8.288 1.00 1.00 H new ATOM 0 HB3 PRO B 171 4.651 0.202 -9.153 1.00 1.00 H new ATOM 0 HG2 PRO B 171 4.243 0.470 -6.179 1.00 1.00 H new ATOM 0 HG3 PRO B 171 4.815 -0.914 -7.089 1.00 1.00 H new ATOM 0 HD2 PRO B 171 6.556 0.712 -5.777 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.005 -0.049 -7.291 1.00 1.00 H new ATOM 1287 N GLU B 172 3.368 3.834 -8.638 1.00 1.00 N ATOM 1288 CA GLU B 172 2.445 4.888 -8.224 1.00 1.00 C ATOM 1289 C GLU B 172 1.027 4.341 -8.120 1.00 1.00 C ATOM 1290 O GLU B 172 0.528 3.695 -9.043 1.00 1.00 O ATOM 1291 CB GLU B 172 2.479 6.039 -9.229 1.00 1.00 C ATOM 1292 CG GLU B 172 1.605 7.188 -8.719 1.00 1.00 C ATOM 1293 CD GLU B 172 1.632 8.343 -9.713 1.00 1.00 C ATOM 1294 OE1 GLU B 172 0.953 8.245 -10.720 1.00 1.00 O ATOM 1295 OE2 GLU B 172 2.331 9.308 -9.451 1.00 1.00 O ATOM 0 H GLU B 172 3.306 3.580 -9.624 1.00 1.00 H new ATOM 0 HA GLU B 172 2.755 5.255 -7.246 1.00 1.00 H new ATOM 0 HB2 GLU B 172 3.504 6.382 -9.370 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.120 5.699 -10.200 1.00 1.00 H new ATOM 0 HG2 GLU B 172 0.581 6.842 -8.578 1.00 1.00 H new ATOM 0 HG3 GLU B 172 1.964 7.525 -7.747 1.00 1.00 H new ATOM 1302 N VAL B 173 0.385 4.593 -6.985 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.965 4.108 -6.767 1.00 1.00 C ATOM 1304 C VAL B 173 -1.877 4.488 -7.935 1.00 1.00 C ATOM 1305 O VAL B 173 -1.833 5.618 -8.421 1.00 1.00 O ATOM 1306 CB VAL B 173 -1.529 4.680 -5.453 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -1.182 3.746 -4.280 1.00 1.00 C ATOM 1308 CG2 VAL B 173 -0.914 6.057 -5.203 1.00 1.00 C ATOM 0 H VAL B 173 0.777 5.127 -6.209 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.929 3.021 -6.698 1.00 1.00 H new ATOM 0 HB VAL B 173 -2.613 4.764 -5.532 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -1.585 4.159 -3.355 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.616 2.762 -4.458 1.00 1.00 H new ATOM 0 HG13 VAL B 173 -0.099 3.655 -4.195 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -1.309 6.469 -4.274 1.00 1.00 H new ATOM 0 HG22 VAL B 173 0.169 5.963 -5.127 1.00 1.00 H new ATOM 0 HG23 VAL B 173 -1.164 6.722 -6.029 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.695 3.568 -8.383 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.632 3.819 -9.515 1.00 1.00 C ATOM 1320 C PRO B 174 -4.796 4.721 -9.126 1.00 1.00 C ATOM 1321 O PRO B 174 -5.184 4.782 -7.960 1.00 1.00 O ATOM 1322 CB PRO B 174 -4.119 2.416 -9.889 1.00 1.00 C ATOM 1323 CG PRO B 174 -4.035 1.625 -8.627 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.859 2.201 -7.849 1.00 1.00 C ATOM 0 HA PRO B 174 -3.148 4.345 -10.338 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -5.140 2.442 -10.271 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.498 1.978 -10.670 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.959 1.705 -8.054 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.882 0.567 -8.839 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -3.061 2.215 -6.778 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.957 1.607 -7.996 1.00 1.00 H new