USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 514 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 19 TYR OH : rot -118:sc= 1.14 USER MOD Set 1.2: A 35 ASN : amide:sc= 0.553 K(o=1.7,f=-0.21!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 23 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.14) USER MOD Single : A 24 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.0058) USER MOD Single : A 27 TYR OH : rot 110:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.518 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.0606 X(o=-0.061,f=-0.52) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.839 K(o=0.84,f=-0.52) USER MOD Single : A 56 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.907) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0.905 (180deg=0.902) USER MOD Single : A 71 TYR OH : rot -143:sc= 0.95 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.404 -0.138 0.166 1.00 0.00 N ATOM 2 CA GLY A 11 1.859 -0.051 0.179 1.00 0.00 C ATOM 3 C GLY A 11 2.325 1.399 0.149 1.00 0.00 C ATOM 4 O GLY A 11 3.403 1.726 0.646 1.00 0.00 O ATOM 0 HA2 GLY A 11 2.247 -0.542 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.265 -0.584 -0.680 1.00 0.00 H new ATOM 8 N ALA A 12 1.506 2.265 -0.436 1.00 0.00 N ATOM 9 CA ALA A 12 1.866 3.669 -0.602 1.00 0.00 C ATOM 10 C ALA A 12 2.003 4.365 0.745 1.00 0.00 C ATOM 11 O ALA A 12 2.928 5.148 0.960 1.00 0.00 O ATOM 12 CB ALA A 12 0.839 4.381 -1.470 1.00 0.00 C ATOM 0 H ALA A 12 0.587 2.020 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 12 2.834 3.712 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.122 5.427 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.800 3.907 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.142 4.320 -0.998 1.00 0.00 H new ATOM 18 N PRO A 13 1.074 4.077 1.651 1.00 0.00 N ATOM 19 CA PRO A 13 1.107 4.650 2.992 1.00 0.00 C ATOM 20 C PRO A 13 2.431 4.354 3.685 1.00 0.00 C ATOM 21 O PRO A 13 2.997 5.215 4.358 1.00 0.00 O ATOM 22 CB PRO A 13 -0.078 3.995 3.707 1.00 0.00 C ATOM 23 CG PRO A 13 -1.023 3.638 2.612 1.00 0.00 C ATOM 24 CD PRO A 13 -0.154 3.201 1.463 1.00 0.00 C ATOM 0 HA PRO A 13 1.029 5.737 2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.234 3.113 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.538 4.678 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.698 2.840 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.643 4.490 2.334 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.089 2.140 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.634 3.371 0.499 1.00 0.00 H new ATOM 32 N GLY A 14 2.920 3.130 3.516 1.00 0.00 N ATOM 33 CA GLY A 14 4.187 2.723 4.112 1.00 0.00 C ATOM 34 C GLY A 14 5.358 3.451 3.466 1.00 0.00 C ATOM 35 O GLY A 14 6.292 3.873 4.149 1.00 0.00 O ATOM 0 H GLY A 14 2.458 2.402 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.172 2.930 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.317 1.647 3.998 1.00 0.00 H new ATOM 39 N ILE A 15 5.304 3.595 2.146 1.00 0.00 N ATOM 40 CA ILE A 15 6.343 4.305 1.410 1.00 0.00 C ATOM 41 C ILE A 15 6.412 5.768 1.828 1.00 0.00 C ATOM 42 O ILE A 15 7.495 6.310 2.048 1.00 0.00 O ATOM 43 CB ILE A 15 6.112 4.226 -0.111 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.310 2.791 -0.606 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.047 5.178 -0.840 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.822 2.561 -2.018 1.00 0.00 C ATOM 0 H ILE A 15 4.551 3.229 1.564 1.00 0.00 H new ATOM 0 HA ILE A 15 7.288 3.817 1.650 1.00 0.00 H new ATOM 0 HB ILE A 15 5.085 4.525 -0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.370 2.541 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.787 2.109 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.871 5.110 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.860 6.199 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.081 4.909 -0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.996 1.522 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.755 2.778 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.362 3.216 -2.701 1.00 0.00 H new ATOM 58 N ILE A 16 5.250 6.402 1.938 1.00 0.00 N ATOM 59 CA ILE A 16 5.179 7.821 2.266 1.00 0.00 C ATOM 60 C ILE A 16 5.628 8.079 3.697 1.00 0.00 C ATOM 61 O ILE A 16 6.394 9.007 3.961 1.00 0.00 O ATOM 62 CB ILE A 16 3.755 8.375 2.075 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.374 8.373 0.593 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.648 9.777 2.654 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.906 8.630 0.340 1.00 0.00 C ATOM 0 H ILE A 16 4.343 5.955 1.805 1.00 0.00 H new ATOM 0 HA ILE A 16 5.852 8.335 1.581 1.00 0.00 H new ATOM 0 HB ILE A 16 3.058 7.729 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.961 9.132 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.645 7.410 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.635 10.154 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.877 9.749 3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.355 10.435 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.713 8.613 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.312 7.857 0.827 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.633 9.605 0.743 1.00 0.00 H new ATOM 77 N LEU A 17 5.148 7.253 4.621 1.00 0.00 N ATOM 78 CA LEU A 17 5.500 7.389 6.029 1.00 0.00 C ATOM 79 C LEU A 17 6.998 7.217 6.241 1.00 0.00 C ATOM 80 O LEU A 17 7.631 8.009 6.942 1.00 0.00 O ATOM 81 CB LEU A 17 4.721 6.372 6.871 1.00 0.00 C ATOM 82 CG LEU A 17 4.992 6.429 8.380 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.612 7.797 8.927 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.205 5.330 9.080 1.00 0.00 C ATOM 0 H LEU A 17 4.513 6.481 4.419 1.00 0.00 H new ATOM 0 HA LEU A 17 5.229 8.395 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.655 6.526 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.958 5.370 6.513 1.00 0.00 H new ATOM 0 HG LEU A 17 6.055 6.271 8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.808 7.828 9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.203 8.565 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.553 7.980 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.398 5.371 10.152 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.140 5.472 8.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.513 4.359 8.693 1.00 0.00 H new ATOM 96 N ARG A 18 7.562 6.179 5.634 1.00 0.00 N ATOM 97 CA ARG A 18 8.995 5.926 5.720 1.00 0.00 C ATOM 98 C ARG A 18 9.792 7.033 5.041 1.00 0.00 C ATOM 99 O ARG A 18 10.880 7.392 5.491 1.00 0.00 O ATOM 100 CB ARG A 18 9.369 4.556 5.175 1.00 0.00 C ATOM 101 CG ARG A 18 8.929 3.382 6.036 1.00 0.00 C ATOM 102 CD ARG A 18 9.216 2.049 5.449 1.00 0.00 C ATOM 103 NE ARG A 18 8.791 0.926 6.267 1.00 0.00 N ATOM 104 CZ ARG A 18 8.874 -0.367 5.895 1.00 0.00 C ATOM 105 NH1 ARG A 18 9.330 -0.702 4.708 1.00 0.00 N ATOM 106 NH2 ARG A 18 8.463 -1.290 6.747 1.00 0.00 N ATOM 0 H ARG A 18 7.047 5.498 5.076 1.00 0.00 H new ATOM 0 HA ARG A 18 9.258 5.927 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.932 4.444 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.451 4.513 5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.423 3.453 7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.857 3.462 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.726 1.981 4.478 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.288 1.968 5.271 1.00 0.00 H new ATOM 0 HE ARG A 18 8.402 1.130 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.627 0.021 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.386 -1.685 4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.095 -1.016 7.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.514 -2.277 6.494 1.00 0.00 H new ATOM 120 N TYR A 19 9.244 7.570 3.956 1.00 0.00 N ATOM 121 CA TYR A 19 9.861 8.694 3.263 1.00 0.00 C ATOM 122 C TYR A 19 9.946 9.918 4.166 1.00 0.00 C ATOM 123 O TYR A 19 11.001 10.542 4.283 1.00 0.00 O ATOM 124 CB TYR A 19 9.079 9.033 1.992 1.00 0.00 C ATOM 125 CG TYR A 19 9.492 10.337 1.348 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.684 10.440 0.646 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.688 11.463 1.441 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.067 11.629 0.056 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.059 12.657 0.854 1.00 0.00 C ATOM 130 CZ TYR A 19 10.251 12.736 0.163 1.00 0.00 C ATOM 131 OH TYR A 19 10.625 13.924 -0.424 1.00 0.00 O ATOM 0 H TYR A 19 8.373 7.244 3.538 1.00 0.00 H new ATOM 0 HA TYR A 19 10.875 8.401 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.209 8.226 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.017 9.078 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.324 9.575 0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.755 11.405 1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.999 11.691 -0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.420 13.524 0.935 1.00 0.00 H new ATOM 0 HH TYR A 19 10.735 14.610 0.267 1.00 0.00 H new ATOM 141 N LEU A 20 8.830 10.256 4.803 1.00 0.00 N ATOM 142 CA LEU A 20 8.755 11.449 5.637 1.00 0.00 C ATOM 143 C LEU A 20 9.657 11.324 6.858 1.00 0.00 C ATOM 144 O LEU A 20 10.244 12.307 7.312 1.00 0.00 O ATOM 145 CB LEU A 20 7.306 11.705 6.068 1.00 0.00 C ATOM 146 CG LEU A 20 6.356 12.134 4.942 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.923 12.170 5.455 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.775 13.497 4.414 1.00 0.00 C ATOM 0 H LEU A 20 7.964 9.719 4.757 1.00 0.00 H new ATOM 0 HA LEU A 20 9.103 12.297 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.914 10.797 6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.304 12.477 6.838 1.00 0.00 H new ATOM 0 HG LEU A 20 6.408 11.412 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.256 12.475 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.637 11.179 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.849 12.882 6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.100 13.801 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.734 14.228 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.793 13.440 4.028 1.00 0.00 H new ATOM 160 N GLN A 21 9.766 10.110 7.386 1.00 0.00 N ATOM 161 CA GLN A 21 10.640 9.844 8.523 1.00 0.00 C ATOM 162 C GLN A 21 12.103 9.842 8.103 1.00 0.00 C ATOM 163 O GLN A 21 12.975 10.279 8.855 1.00 0.00 O ATOM 164 CB GLN A 21 10.286 8.502 9.167 1.00 0.00 C ATOM 165 CG GLN A 21 8.977 8.508 9.939 1.00 0.00 C ATOM 166 CD GLN A 21 8.640 7.146 10.517 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.345 6.162 10.277 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.556 7.081 11.282 1.00 0.00 N ATOM 0 H GLN A 21 9.259 9.293 7.044 1.00 0.00 H new ATOM 0 HA GLN A 21 10.490 10.642 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.232 7.741 8.388 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.091 8.212 9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.038 9.237 10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.171 8.829 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.002 7.920 11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.278 6.192 11.697 1.00 0.00 H new ATOM 177 N GLU A 22 12.368 9.349 6.898 1.00 0.00 N ATOM 178 CA GLU A 22 13.727 9.298 6.372 1.00 0.00 C ATOM 179 C GLU A 22 14.289 10.700 6.165 1.00 0.00 C ATOM 180 O GLU A 22 15.449 10.966 6.481 1.00 0.00 O ATOM 181 CB GLU A 22 13.764 8.519 5.056 1.00 0.00 C ATOM 182 CG GLU A 22 15.151 8.386 4.442 1.00 0.00 C ATOM 183 CD GLU A 22 15.115 7.557 3.188 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.057 7.097 2.832 1.00 0.00 O ATOM 185 OE2 GLU A 22 16.123 7.477 2.525 1.00 0.00 O ATOM 0 H GLU A 22 11.658 8.978 6.266 1.00 0.00 H new ATOM 0 HA GLU A 22 14.349 8.784 7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.359 7.522 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.108 9.011 4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.547 9.376 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.828 7.929 5.163 1.00 0.00 H new ATOM 192 N GLN A 23 13.460 11.591 5.634 1.00 0.00 N ATOM 193 CA GLN A 23 13.895 12.947 5.317 1.00 0.00 C ATOM 194 C GLN A 23 13.798 13.856 6.536 1.00 0.00 C ATOM 195 O GLN A 23 14.622 14.751 6.721 1.00 0.00 O ATOM 196 CB GLN A 23 13.056 13.524 4.173 1.00 0.00 C ATOM 197 CG GLN A 23 13.178 12.762 2.865 1.00 0.00 C ATOM 198 CD GLN A 23 14.609 12.681 2.373 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.320 13.689 2.319 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.041 11.480 2.006 1.00 0.00 N ATOM 0 H GLN A 23 12.483 11.399 5.414 1.00 0.00 H new ATOM 0 HA GLN A 23 14.939 12.897 5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.009 13.537 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.353 14.559 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.785 11.754 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.563 13.247 2.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.419 10.674 2.067 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.995 11.364 1.663 1.00 0.00 H new ATOM 209 N ASN A 24 12.786 13.621 7.363 1.00 0.00 N ATOM 210 CA ASN A 24 12.555 14.444 8.544 1.00 0.00 C ATOM 211 C ASN A 24 12.200 15.874 8.157 1.00 0.00 C ATOM 212 O ASN A 24 12.538 16.821 8.866 1.00 0.00 O ATOM 213 CB ASN A 24 13.757 14.435 9.471 1.00 0.00 C ATOM 214 CG ASN A 24 14.023 13.096 10.103 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.160 12.525 10.780 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.238 12.633 9.955 1.00 0.00 N ATOM 0 H ASN A 24 12.112 12.866 7.237 1.00 0.00 H new ATOM 0 HA ASN A 24 11.710 14.010 9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.639 14.744 8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.604 15.174 10.257 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.511 11.762 10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.912 13.144 9.385 1.00 0.00 H new ATOM 223 N ARG A 25 11.516 16.024 7.028 1.00 0.00 N ATOM 224 CA ARG A 25 11.157 17.342 6.519 1.00 0.00 C ATOM 225 C ARG A 25 9.721 17.363 6.008 1.00 0.00 C ATOM 226 O ARG A 25 9.205 16.349 5.538 1.00 0.00 O ATOM 227 CB ARG A 25 12.133 17.832 5.459 1.00 0.00 C ATOM 228 CG ARG A 25 13.556 18.043 5.949 1.00 0.00 C ATOM 229 CD ARG A 25 13.720 19.191 6.878 1.00 0.00 C ATOM 230 NE ARG A 25 15.097 19.474 7.247 1.00 0.00 N ATOM 231 CZ ARG A 25 15.754 18.883 8.263 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.157 18.004 9.036 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.012 19.228 8.478 1.00 0.00 N ATOM 0 H ARG A 25 11.199 15.248 6.447 1.00 0.00 H new ATOM 0 HA ARG A 25 11.224 18.038 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.149 17.113 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.762 18.772 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.894 17.135 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.206 18.193 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.290 20.080 6.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.147 18.994 7.784 1.00 0.00 H new ATOM 0 HE ARG A 25 15.601 20.170 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.181 17.760 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.670 17.566 9.801 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.459 19.925 7.882 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.536 18.798 9.240 1.00 0.00 H new ATOM 247 N PRO A 26 9.083 18.524 6.104 1.00 0.00 N ATOM 248 CA PRO A 26 7.720 18.691 5.614 1.00 0.00 C ATOM 249 C PRO A 26 7.682 18.724 4.091 1.00 0.00 C ATOM 250 O PRO A 26 8.511 19.375 3.455 1.00 0.00 O ATOM 251 CB PRO A 26 7.259 20.015 6.230 1.00 0.00 C ATOM 252 CG PRO A 26 8.514 20.801 6.402 1.00 0.00 C ATOM 253 CD PRO A 26 9.577 19.788 6.737 1.00 0.00 C ATOM 0 HA PRO A 26 7.067 17.864 5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.553 20.531 5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.756 19.856 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.764 21.346 5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.410 21.539 7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.548 20.081 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.696 19.675 7.815 1.00 0.00 H new ATOM 261 N TYR A 27 6.717 18.018 3.512 1.00 0.00 N ATOM 262 CA TYR A 27 6.526 18.023 2.067 1.00 0.00 C ATOM 263 C TYR A 27 5.054 18.183 1.707 1.00 0.00 C ATOM 264 O TYR A 27 4.181 17.604 2.353 1.00 0.00 O ATOM 265 CB TYR A 27 7.080 16.737 1.448 1.00 0.00 C ATOM 266 CG TYR A 27 8.582 16.599 1.569 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.428 17.189 0.642 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.149 15.874 2.607 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.800 17.065 0.748 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.520 15.743 2.722 1.00 0.00 C ATOM 271 CZ TYR A 27 11.342 16.342 1.789 1.00 0.00 C ATOM 272 OH TYR A 27 12.708 16.214 1.897 1.00 0.00 O ATOM 0 H TYR A 27 6.054 17.434 4.022 1.00 0.00 H new ATOM 0 HA TYR A 27 7.072 18.875 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.606 15.881 1.927 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.805 16.705 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.007 17.755 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.508 15.404 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.445 17.532 0.019 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.945 15.176 3.537 1.00 0.00 H new ATOM 0 HH TYR A 27 13.025 16.730 2.668 1.00 0.00 H new ATOM 282 N SER A 28 4.786 18.971 0.672 1.00 0.00 N ATOM 283 CA SER A 28 3.422 19.181 0.201 1.00 0.00 C ATOM 284 C SER A 28 2.867 17.923 -0.455 1.00 0.00 C ATOM 285 O SER A 28 3.611 16.993 -0.764 1.00 0.00 O ATOM 286 CB SER A 28 3.377 20.346 -0.768 1.00 0.00 C ATOM 287 OG SER A 28 3.930 20.018 -2.012 1.00 0.00 O ATOM 0 H SER A 28 5.497 19.476 0.142 1.00 0.00 H new ATOM 0 HA SER A 28 2.797 19.413 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.343 20.664 -0.904 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.918 21.192 -0.343 1.00 0.00 H new ATOM 0 HG SER A 28 3.880 20.795 -2.607 1.00 0.00 H new ATOM 293 N ALA A 29 1.555 17.901 -0.664 1.00 0.00 N ATOM 294 CA ALA A 29 0.914 16.815 -1.394 1.00 0.00 C ATOM 295 C ALA A 29 1.553 16.619 -2.763 1.00 0.00 C ATOM 296 O ALA A 29 1.666 15.494 -3.252 1.00 0.00 O ATOM 297 CB ALA A 29 -0.578 17.078 -1.536 1.00 0.00 C ATOM 0 H ALA A 29 0.914 18.624 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 29 1.055 15.897 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.042 16.257 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.030 17.155 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.733 18.010 -2.079 1.00 0.00 H new ATOM 303 N GLN A 30 1.970 17.720 -3.379 1.00 0.00 N ATOM 304 CA GLN A 30 2.617 17.669 -4.684 1.00 0.00 C ATOM 305 C GLN A 30 4.066 17.213 -4.564 1.00 0.00 C ATOM 306 O GLN A 30 4.570 16.484 -5.419 1.00 0.00 O ATOM 307 CB GLN A 30 2.563 19.040 -5.363 1.00 0.00 C ATOM 308 CG GLN A 30 1.169 19.473 -5.782 1.00 0.00 C ATOM 309 CD GLN A 30 1.156 20.853 -6.413 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.178 21.542 -6.452 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.006 21.264 -6.908 1.00 0.00 N ATOM 0 H GLN A 30 1.871 18.660 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 30 2.076 16.945 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.974 19.786 -4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.206 19.023 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.764 18.749 -6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.513 19.469 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.826 20.660 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.078 22.184 -7.343 1.00 0.00 H new ATOM 320 N ASP A 31 4.730 17.643 -3.497 1.00 0.00 N ATOM 321 CA ASP A 31 6.100 17.223 -3.227 1.00 0.00 C ATOM 322 C ASP A 31 6.190 15.713 -3.059 1.00 0.00 C ATOM 323 O ASP A 31 7.033 15.060 -3.673 1.00 0.00 O ATOM 324 CB ASP A 31 6.639 17.925 -1.978 1.00 0.00 C ATOM 325 CG ASP A 31 6.885 19.418 -2.150 1.00 0.00 C ATOM 326 OD1 ASP A 31 6.961 19.861 -3.271 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.838 20.124 -1.172 1.00 0.00 O ATOM 0 H ASP A 31 4.341 18.283 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 31 6.711 17.507 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.933 17.778 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.573 17.447 -1.683 1.00 0.00 H new ATOM 332 N VAL A 32 5.316 15.162 -2.222 1.00 0.00 N ATOM 333 CA VAL A 32 5.343 13.737 -1.914 1.00 0.00 C ATOM 334 C VAL A 32 5.058 12.899 -3.153 1.00 0.00 C ATOM 335 O VAL A 32 5.759 11.927 -3.432 1.00 0.00 O ATOM 336 CB VAL A 32 4.325 13.377 -0.816 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.232 11.867 -0.650 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.707 14.033 0.501 1.00 0.00 C ATOM 0 H VAL A 32 4.580 15.682 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 32 6.347 13.513 -1.553 1.00 0.00 H new ATOM 0 HB VAL A 32 3.347 13.752 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.508 11.631 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.913 11.417 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.208 11.471 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.976 13.767 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.694 13.687 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.725 15.116 0.377 1.00 0.00 H new ATOM 348 N PHE A 33 4.024 13.282 -3.894 1.00 0.00 N ATOM 349 CA PHE A 33 3.670 12.595 -5.131 1.00 0.00 C ATOM 350 C PHE A 33 4.813 12.648 -6.137 1.00 0.00 C ATOM 351 O PHE A 33 5.294 11.614 -6.599 1.00 0.00 O ATOM 352 CB PHE A 33 2.405 13.204 -5.738 1.00 0.00 C ATOM 353 CG PHE A 33 2.156 12.789 -7.160 1.00 0.00 C ATOM 354 CD1 PHE A 33 1.963 11.454 -7.485 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.114 13.732 -8.176 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.734 11.071 -8.793 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.883 13.352 -9.484 1.00 0.00 C ATOM 358 CZ PHE A 33 1.693 12.019 -9.792 1.00 0.00 C ATOM 0 H PHE A 33 3.415 14.066 -3.659 1.00 0.00 H new ATOM 0 HA PHE A 33 3.478 11.550 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.547 12.918 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.478 14.291 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.992 10.706 -6.707 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.264 14.776 -7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.587 10.028 -9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.851 14.097 -10.265 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.513 11.720 -10.814 1.00 0.00 H new ATOM 368 N GLY A 34 5.243 13.860 -6.471 1.00 0.00 N ATOM 369 CA GLY A 34 6.250 14.056 -7.508 1.00 0.00 C ATOM 370 C GLY A 34 7.518 13.269 -7.200 1.00 0.00 C ATOM 371 O GLY A 34 8.098 12.639 -8.084 1.00 0.00 O ATOM 0 H GLY A 34 4.910 14.722 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.849 13.742 -8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.488 15.116 -7.592 1.00 0.00 H new ATOM 375 N ASN A 35 7.944 13.310 -5.942 1.00 0.00 N ATOM 376 CA ASN A 35 9.195 12.684 -5.536 1.00 0.00 C ATOM 377 C ASN A 35 9.087 11.164 -5.571 1.00 0.00 C ATOM 378 O ASN A 35 10.005 10.477 -6.017 1.00 0.00 O ATOM 379 CB ASN A 35 9.626 13.146 -4.156 1.00 0.00 C ATOM 380 CG ASN A 35 10.139 14.559 -4.125 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.529 15.122 -5.155 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.217 15.105 -2.939 1.00 0.00 N ATOM 0 H ASN A 35 7.439 13.771 -5.185 1.00 0.00 H new ATOM 0 HA ASN A 35 9.956 12.994 -6.252 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.781 13.061 -3.473 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.404 12.478 -3.785 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.614 16.038 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.881 14.597 -2.121 1.00 0.00 H new ATOM 389 N LEU A 36 7.958 10.645 -5.099 1.00 0.00 N ATOM 390 CA LEU A 36 7.752 9.204 -5.019 1.00 0.00 C ATOM 391 C LEU A 36 7.237 8.649 -6.342 1.00 0.00 C ATOM 392 O LEU A 36 7.189 7.435 -6.538 1.00 0.00 O ATOM 393 CB LEU A 36 6.776 8.870 -3.884 1.00 0.00 C ATOM 394 CG LEU A 36 7.248 9.269 -2.480 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.174 8.933 -1.454 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.548 8.547 -2.157 1.00 0.00 C ATOM 0 H LEU A 36 7.171 11.202 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 36 8.713 8.735 -4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.826 9.365 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.585 7.797 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 36 7.427 10.344 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.518 9.220 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.260 9.477 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.974 7.862 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.883 8.830 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.385 7.470 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.309 8.823 -2.888 1.00 0.00 H new ATOM 408 N GLN A 37 6.853 9.545 -7.245 1.00 0.00 N ATOM 409 CA GLN A 37 6.485 9.156 -8.601 1.00 0.00 C ATOM 410 C GLN A 37 7.697 8.666 -9.382 1.00 0.00 C ATOM 411 O GLN A 37 7.603 7.721 -10.165 1.00 0.00 O ATOM 412 CB GLN A 37 5.837 10.331 -9.338 1.00 0.00 C ATOM 413 CG GLN A 37 5.384 10.005 -10.751 1.00 0.00 C ATOM 414 CD GLN A 37 4.809 11.213 -11.467 1.00 0.00 C ATOM 415 OE1 GLN A 37 4.899 12.343 -10.978 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.211 10.981 -12.630 1.00 0.00 N ATOM 0 H GLN A 37 6.789 10.546 -7.062 1.00 0.00 H new ATOM 0 HA GLN A 37 5.768 8.338 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.978 10.677 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.547 11.157 -9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.229 9.617 -11.320 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.633 9.215 -10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.160 10.030 -12.996 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.803 11.753 -13.157 1.00 0.00 H new ATOM 425 N LYS A 38 8.837 9.313 -9.163 1.00 0.00 N ATOM 426 CA LYS A 38 10.059 8.979 -9.885 1.00 0.00 C ATOM 427 C LYS A 38 10.798 7.830 -9.213 1.00 0.00 C ATOM 428 O LYS A 38 11.482 7.048 -9.876 1.00 0.00 O ATOM 429 CB LYS A 38 10.971 10.202 -9.989 1.00 0.00 C ATOM 430 CG LYS A 38 10.397 11.348 -10.811 1.00 0.00 C ATOM 431 CD LYS A 38 11.364 12.520 -10.879 1.00 0.00 C ATOM 432 CE LYS A 38 10.781 13.674 -11.682 1.00 0.00 C ATOM 433 NZ LYS A 38 11.710 14.834 -11.743 1.00 0.00 N ATOM 0 H LYS A 38 8.940 10.073 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 38 9.777 8.662 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.188 10.565 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.920 9.896 -10.429 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.174 10.999 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.455 11.676 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.599 12.859 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.300 12.195 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.557 13.335 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.838 13.988 -11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.275 15.598 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.904 15.174 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.601 14.542 -12.193 1.00 0.00 H new ATOM 447 N GLU A 39 10.658 7.731 -7.896 1.00 0.00 N ATOM 448 CA GLU A 39 11.408 6.753 -7.117 1.00 0.00 C ATOM 449 C GLU A 39 10.684 5.413 -7.071 1.00 0.00 C ATOM 450 O GLU A 39 11.299 4.360 -7.238 1.00 0.00 O ATOM 451 CB GLU A 39 11.647 7.270 -5.696 1.00 0.00 C ATOM 452 CG GLU A 39 12.593 8.460 -5.612 1.00 0.00 C ATOM 453 CD GLU A 39 12.772 8.915 -4.189 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.167 8.336 -3.320 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.600 9.764 -3.959 1.00 0.00 O ATOM 0 H GLU A 39 10.031 8.317 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 39 12.370 6.604 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.689 7.551 -5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.049 6.458 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.561 8.189 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.202 9.281 -6.213 1.00 0.00 H new ATOM 462 N HIS A 40 9.377 5.460 -6.843 1.00 0.00 N ATOM 463 CA HIS A 40 8.595 4.251 -6.614 1.00 0.00 C ATOM 464 C HIS A 40 7.556 4.052 -7.709 1.00 0.00 C ATOM 465 O HIS A 40 7.258 2.922 -8.098 1.00 0.00 O ATOM 466 CB HIS A 40 7.911 4.300 -5.244 1.00 0.00 C ATOM 467 CG HIS A 40 8.867 4.305 -4.093 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.404 5.466 -3.576 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.384 3.293 -3.358 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.209 5.166 -2.572 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.215 3.854 -2.421 1.00 0.00 N ATOM 0 H HIS A 40 8.836 6.324 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 40 9.281 3.405 -6.635 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.288 5.193 -5.191 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.246 3.441 -5.149 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.180 2.240 -3.485 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.767 5.873 -1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.751 3.341 -1.721 1.00 0.00 H new ATOM 479 N GLY A 41 7.005 5.155 -8.203 1.00 0.00 N ATOM 480 CA GLY A 41 6.028 5.106 -9.285 1.00 0.00 C ATOM 481 C GLY A 41 4.605 5.102 -8.741 1.00 0.00 C ATOM 482 O GLY A 41 3.706 4.503 -9.332 1.00 0.00 O ATOM 0 H GLY A 41 7.218 6.096 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.166 5.964 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.193 4.213 -9.887 1.00 0.00 H new ATOM 486 N LEU A 42 4.406 5.774 -7.613 1.00 0.00 N ATOM 487 CA LEU A 42 3.088 5.861 -6.994 1.00 0.00 C ATOM 488 C LEU A 42 2.177 6.804 -7.770 1.00 0.00 C ATOM 489 O LEU A 42 2.619 7.838 -8.271 1.00 0.00 O ATOM 490 CB LEU A 42 3.215 6.320 -5.536 1.00 0.00 C ATOM 491 CG LEU A 42 3.982 5.363 -4.615 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.097 5.962 -3.220 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.268 4.021 -4.569 1.00 0.00 C ATOM 0 H LEU A 42 5.142 6.267 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 42 2.639 4.868 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.711 7.291 -5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.214 6.466 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 42 4.989 5.211 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.643 5.275 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.630 6.911 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.100 6.129 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.813 3.341 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.257 4.160 -4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.222 3.599 -5.573 1.00 0.00 H new ATOM 505 N GLY A 43 0.902 6.442 -7.865 1.00 0.00 N ATOM 506 CA GLY A 43 -0.075 7.258 -8.576 1.00 0.00 C ATOM 507 C GLY A 43 -0.515 8.449 -7.734 1.00 0.00 C ATOM 508 O GLY A 43 -0.328 8.463 -6.517 1.00 0.00 O ATOM 0 H GLY A 43 0.521 5.588 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.355 7.611 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.943 6.650 -8.832 1.00 0.00 H new ATOM 512 N LYS A 44 -1.099 9.446 -8.388 1.00 0.00 N ATOM 513 CA LYS A 44 -1.515 10.668 -7.709 1.00 0.00 C ATOM 514 C LYS A 44 -2.610 10.386 -6.689 1.00 0.00 C ATOM 515 O LYS A 44 -2.531 10.825 -5.542 1.00 0.00 O ATOM 516 CB LYS A 44 -1.996 11.706 -8.724 1.00 0.00 C ATOM 517 CG LYS A 44 -2.359 13.056 -8.118 1.00 0.00 C ATOM 518 CD LYS A 44 -2.707 14.071 -9.197 1.00 0.00 C ATOM 519 CE LYS A 44 -3.095 15.413 -8.592 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.464 16.407 -9.635 1.00 0.00 N ATOM 0 H LYS A 44 -1.296 9.432 -9.389 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.650 11.066 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.216 11.854 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.867 11.310 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.205 12.937 -7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.524 13.426 -7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.854 14.203 -9.863 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.530 13.692 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.934 15.275 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.264 15.798 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.722 17.307 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.655 16.559 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.273 16.051 -10.183 1.00 0.00 H new ATOM 534 N ALA A 45 -3.633 9.650 -7.114 1.00 0.00 N ATOM 535 CA ALA A 45 -4.720 9.264 -6.223 1.00 0.00 C ATOM 536 C ALA A 45 -4.222 8.357 -5.106 1.00 0.00 C ATOM 537 O ALA A 45 -4.692 8.438 -3.970 1.00 0.00 O ATOM 538 CB ALA A 45 -5.831 8.584 -7.009 1.00 0.00 C ATOM 0 H ALA A 45 -3.731 9.309 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.119 10.169 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.636 8.301 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.216 9.271 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.438 7.692 -7.497 1.00 0.00 H new ATOM 544 N ALA A 46 -3.268 7.493 -5.434 1.00 0.00 N ATOM 545 CA ALA A 46 -2.696 6.575 -4.455 1.00 0.00 C ATOM 546 C ALA A 46 -1.976 7.331 -3.346 1.00 0.00 C ATOM 547 O ALA A 46 -2.124 7.010 -2.166 1.00 0.00 O ATOM 548 CB ALA A 46 -1.749 5.598 -5.135 1.00 0.00 C ATOM 0 H ALA A 46 -2.874 7.409 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.513 6.013 -4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.330 4.920 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.295 5.024 -5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.942 6.150 -5.618 1.00 0.00 H new ATOM 554 N VAL A 47 -1.199 8.337 -3.730 1.00 0.00 N ATOM 555 CA VAL A 47 -0.439 9.129 -2.770 1.00 0.00 C ATOM 556 C VAL A 47 -1.363 9.964 -1.892 1.00 0.00 C ATOM 557 O VAL A 47 -1.206 10.004 -0.672 1.00 0.00 O ATOM 558 CB VAL A 47 0.565 10.060 -3.474 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.148 11.059 -2.485 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.676 9.251 -4.127 1.00 0.00 C ATOM 0 H VAL A 47 -1.079 8.624 -4.701 1.00 0.00 H new ATOM 0 HA VAL A 47 0.111 8.424 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 47 0.036 10.611 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.856 11.709 -2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.345 11.661 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.662 10.523 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.376 9.926 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.202 8.675 -3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.247 8.572 -4.864 1.00 0.00 H new ATOM 570 N VAL A 48 -2.325 10.632 -2.520 1.00 0.00 N ATOM 571 CA VAL A 48 -3.238 11.514 -1.804 1.00 0.00 C ATOM 572 C VAL A 48 -4.110 10.730 -0.831 1.00 0.00 C ATOM 573 O VAL A 48 -4.316 11.150 0.308 1.00 0.00 O ATOM 574 CB VAL A 48 -4.144 12.296 -2.775 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.235 13.029 -2.009 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.322 13.275 -3.598 1.00 0.00 C ATOM 0 H VAL A 48 -2.492 10.579 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.622 12.220 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.616 11.586 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.866 13.576 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.842 12.308 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.780 13.728 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.978 13.819 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.824 13.980 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.575 12.729 -4.173 1.00 0.00 H new ATOM 586 N LYS A 49 -4.620 9.591 -1.286 1.00 0.00 N ATOM 587 CA LYS A 49 -5.429 8.722 -0.440 1.00 0.00 C ATOM 588 C LYS A 49 -4.594 8.104 0.673 1.00 0.00 C ATOM 589 O LYS A 49 -5.079 7.899 1.786 1.00 0.00 O ATOM 590 CB LYS A 49 -6.088 7.623 -1.275 1.00 0.00 C ATOM 591 CG LYS A 49 -7.211 8.110 -2.182 1.00 0.00 C ATOM 592 CD LYS A 49 -7.796 6.969 -2.999 1.00 0.00 C ATOM 593 CE LYS A 49 -8.907 7.457 -3.918 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.485 6.352 -4.728 1.00 0.00 N ATOM 0 H LYS A 49 -4.487 9.248 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.207 9.333 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.325 7.142 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.484 6.861 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.995 8.568 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.832 8.882 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.009 6.503 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.186 6.202 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.694 7.920 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.516 8.227 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.238 6.727 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.740 5.927 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.882 5.628 -4.095 1.00 0.00 H new ATOM 608 N ALA A 50 -3.335 7.807 0.367 1.00 0.00 N ATOM 609 CA ALA A 50 -2.410 7.276 1.361 1.00 0.00 C ATOM 610 C ALA A 50 -2.068 8.325 2.412 1.00 0.00 C ATOM 611 O ALA A 50 -1.896 8.006 3.587 1.00 0.00 O ATOM 612 CB ALA A 50 -1.144 6.766 0.686 1.00 0.00 C ATOM 0 H ALA A 50 -2.932 7.925 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.899 6.443 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.463 6.373 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.401 5.975 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.661 7.585 0.153 1.00 0.00 H new ATOM 618 N LEU A 51 -1.973 9.578 1.980 1.00 0.00 N ATOM 619 CA LEU A 51 -1.731 10.687 2.896 1.00 0.00 C ATOM 620 C LEU A 51 -2.898 10.873 3.856 1.00 0.00 C ATOM 621 O LEU A 51 -2.702 11.120 5.047 1.00 0.00 O ATOM 622 CB LEU A 51 -1.478 11.978 2.108 1.00 0.00 C ATOM 623 CG LEU A 51 -0.119 12.054 1.398 1.00 0.00 C ATOM 624 CD1 LEU A 51 -0.100 13.232 0.434 1.00 0.00 C ATOM 625 CD2 LEU A 51 0.989 12.185 2.432 1.00 0.00 C ATOM 0 H LEU A 51 -2.060 9.851 1.001 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.845 10.452 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.266 12.091 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.561 12.824 2.791 1.00 0.00 H new ATOM 0 HG LEU A 51 0.044 11.141 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.868 13.278 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.886 13.106 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.268 14.157 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.953 12.239 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.835 13.091 3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.974 11.319 3.093 1.00 0.00 H new ATOM 637 N ASP A 52 -4.113 10.750 3.334 1.00 0.00 N ATOM 638 CA ASP A 52 -5.313 10.821 4.160 1.00 0.00 C ATOM 639 C ASP A 52 -5.429 9.604 5.067 1.00 0.00 C ATOM 640 O ASP A 52 -5.887 9.708 6.206 1.00 0.00 O ATOM 641 CB ASP A 52 -6.562 10.945 3.283 1.00 0.00 C ATOM 642 CG ASP A 52 -6.737 12.307 2.625 1.00 0.00 C ATOM 643 OD1 ASP A 52 -6.052 13.224 3.012 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.434 12.384 1.642 1.00 0.00 O ATOM 0 H ASP A 52 -4.293 10.600 2.341 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.233 11.708 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.522 10.182 2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.441 10.734 3.892 1.00 0.00 H new ATOM 649 N GLN A 53 -5.014 8.450 4.557 1.00 0.00 N ATOM 650 CA GLN A 53 -5.026 7.218 5.337 1.00 0.00 C ATOM 651 C GLN A 53 -4.067 7.304 6.518 1.00 0.00 C ATOM 652 O GLN A 53 -4.406 6.914 7.635 1.00 0.00 O ATOM 653 CB GLN A 53 -4.656 6.022 4.457 1.00 0.00 C ATOM 654 CG GLN A 53 -4.698 4.684 5.175 1.00 0.00 C ATOM 655 CD GLN A 53 -6.091 4.330 5.661 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.089 4.640 5.005 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.167 3.682 6.817 1.00 0.00 N ATOM 0 H GLN A 53 -4.664 8.342 3.605 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.036 7.080 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.337 5.987 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.654 6.176 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.342 3.903 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.016 4.709 6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.315 3.446 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.077 3.420 7.196 1.00 0.00 H new ATOM 666 N LEU A 54 -2.869 7.817 6.263 1.00 0.00 N ATOM 667 CA LEU A 54 -1.867 7.982 7.310 1.00 0.00 C ATOM 668 C LEU A 54 -2.327 8.987 8.358 1.00 0.00 C ATOM 669 O LEU A 54 -2.191 8.752 9.558 1.00 0.00 O ATOM 670 CB LEU A 54 -0.530 8.422 6.700 1.00 0.00 C ATOM 671 CG LEU A 54 0.185 7.357 5.859 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.343 7.985 5.096 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.681 6.240 6.766 1.00 0.00 C ATOM 0 H LEU A 54 -2.567 8.126 5.339 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.731 7.020 7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.704 9.298 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.135 8.732 7.506 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.513 6.937 5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.844 7.221 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.964 8.766 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.051 8.418 5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.189 5.484 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.376 6.649 7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.166 5.787 7.281 1.00 0.00 H new ATOM 685 N ALA A 55 -2.874 10.106 7.897 1.00 0.00 N ATOM 686 CA ALA A 55 -3.358 11.149 8.795 1.00 0.00 C ATOM 687 C ALA A 55 -4.527 10.651 9.636 1.00 0.00 C ATOM 688 O ALA A 55 -4.674 11.030 10.798 1.00 0.00 O ATOM 689 CB ALA A 55 -3.759 12.385 8.005 1.00 0.00 C ATOM 0 H ALA A 55 -2.994 10.315 6.906 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.546 11.415 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.118 13.154 8.689 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.896 12.762 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.551 12.127 7.302 1.00 0.00 H new ATOM 695 N GLN A 56 -5.357 9.800 9.042 1.00 0.00 N ATOM 696 CA GLN A 56 -6.481 9.203 9.753 1.00 0.00 C ATOM 697 C GLN A 56 -6.001 8.249 10.840 1.00 0.00 C ATOM 698 O GLN A 56 -6.571 8.197 11.929 1.00 0.00 O ATOM 699 CB GLN A 56 -7.398 8.458 8.779 1.00 0.00 C ATOM 700 CG GLN A 56 -8.654 7.890 9.417 1.00 0.00 C ATOM 701 CD GLN A 56 -9.555 8.972 9.983 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.809 9.991 9.335 1.00 0.00 O ATOM 703 NE2 GLN A 56 -10.040 8.758 11.202 1.00 0.00 N ATOM 0 H GLN A 56 -5.272 9.508 8.068 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.041 10.011 10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.687 9.138 7.977 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.837 7.644 8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.206 7.313 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.374 7.201 10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.804 7.901 11.702 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.648 9.451 11.638 1.00 0.00 H new ATOM 712 N GLU A 57 -4.950 7.495 10.535 1.00 0.00 N ATOM 713 CA GLU A 57 -4.387 6.546 11.488 1.00 0.00 C ATOM 714 C GLU A 57 -3.572 7.258 12.560 1.00 0.00 C ATOM 715 O GLU A 57 -3.368 6.728 13.652 1.00 0.00 O ATOM 716 CB GLU A 57 -3.518 5.514 10.766 1.00 0.00 C ATOM 717 CG GLU A 57 -4.291 4.555 9.872 1.00 0.00 C ATOM 718 CD GLU A 57 -3.363 3.663 9.095 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.181 3.711 9.340 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.844 2.855 8.336 1.00 0.00 O ATOM 0 H GLU A 57 -4.471 7.523 9.635 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.216 6.033 11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.779 6.039 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.969 4.936 11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.959 3.946 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.916 5.122 9.182 1.00 0.00 H new ATOM 727 N GLY A 58 -3.110 8.463 12.242 1.00 0.00 N ATOM 728 CA GLY A 58 -2.315 9.250 13.178 1.00 0.00 C ATOM 729 C GLY A 58 -0.825 9.008 12.973 1.00 0.00 C ATOM 730 O GLY A 58 -0.022 9.210 13.884 1.00 0.00 O ATOM 0 H GLY A 58 -3.273 8.916 11.343 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.536 10.309 13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.591 8.992 14.200 1.00 0.00 H new ATOM 734 N LYS A 59 -0.460 8.573 11.771 1.00 0.00 N ATOM 735 CA LYS A 59 0.933 8.299 11.445 1.00 0.00 C ATOM 736 C LYS A 59 1.668 9.574 11.050 1.00 0.00 C ATOM 737 O LYS A 59 2.868 9.711 11.290 1.00 0.00 O ATOM 738 CB LYS A 59 1.028 7.267 10.321 1.00 0.00 C ATOM 739 CG LYS A 59 0.344 5.941 10.624 1.00 0.00 C ATOM 740 CD LYS A 59 1.005 5.233 11.799 1.00 0.00 C ATOM 741 CE LYS A 59 0.329 3.902 12.094 1.00 0.00 C ATOM 742 NZ LYS A 59 0.959 3.203 13.246 1.00 0.00 N ATOM 0 H LYS A 59 -1.112 8.403 11.006 1.00 0.00 H new ATOM 0 HA LYS A 59 1.410 7.894 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.589 7.690 9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.080 7.078 10.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.709 6.115 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.381 5.300 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.060 5.067 11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.960 5.870 12.682 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.727 4.070 12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.380 3.265 11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.470 2.301 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.961 3.019 13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.888 3.799 14.095 1.00 0.00 H new ATOM 756 N ILE A 60 0.941 10.505 10.442 1.00 0.00 N ATOM 757 CA ILE A 60 1.517 11.780 10.030 1.00 0.00 C ATOM 758 C ILE A 60 0.610 12.942 10.411 1.00 0.00 C ATOM 759 O ILE A 60 -0.564 12.749 10.730 1.00 0.00 O ATOM 760 CB ILE A 60 1.778 11.818 8.514 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.463 11.677 7.742 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.755 10.723 8.114 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.626 11.744 6.241 1.00 0.00 C ATOM 0 H ILE A 60 -0.050 10.400 10.223 1.00 0.00 H new ATOM 0 HA ILE A 60 2.468 11.880 10.554 1.00 0.00 H new ATOM 0 HB ILE A 60 2.222 12.781 8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.002 10.727 8.005 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.220 12.465 8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.928 10.765 7.039 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.699 10.868 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.339 9.750 8.377 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.348 11.637 5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.061 12.704 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.283 10.939 5.910 1.00 0.00 H new ATOM 775 N LYS A 61 1.160 14.152 10.375 1.00 0.00 N ATOM 776 CA LYS A 61 0.395 15.351 10.696 1.00 0.00 C ATOM 777 C LYS A 61 0.112 16.173 9.444 1.00 0.00 C ATOM 778 O LYS A 61 0.908 16.188 8.506 1.00 0.00 O ATOM 779 CB LYS A 61 1.138 16.201 11.726 1.00 0.00 C ATOM 780 CG LYS A 61 1.214 15.582 13.115 1.00 0.00 C ATOM 781 CD LYS A 61 1.906 16.513 14.099 1.00 0.00 C ATOM 782 CE LYS A 61 1.843 15.967 15.518 1.00 0.00 C ATOM 783 NZ LYS A 61 2.614 16.807 16.474 1.00 0.00 N ATOM 0 H LYS A 61 2.134 14.328 10.126 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.558 15.036 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.151 16.383 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.647 17.171 11.800 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.208 15.357 13.470 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.754 14.636 13.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.947 16.647 13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.436 17.496 14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.803 15.913 15.840 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.234 14.950 15.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.358 16.548 17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.632 16.651 16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.391 17.810 16.313 1.00 0.00 H new ATOM 797 N GLU A 62 -1.028 16.857 9.437 1.00 0.00 N ATOM 798 CA GLU A 62 -1.476 17.587 8.258 1.00 0.00 C ATOM 799 C GLU A 62 -1.592 19.079 8.545 1.00 0.00 C ATOM 800 O GLU A 62 -2.167 19.483 9.557 1.00 0.00 O ATOM 801 CB GLU A 62 -2.817 17.040 7.766 1.00 0.00 C ATOM 802 CG GLU A 62 -3.407 17.793 6.583 1.00 0.00 C ATOM 803 CD GLU A 62 -4.747 17.234 6.193 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.813 16.073 5.869 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.724 17.934 6.326 1.00 0.00 O ATOM 0 H GLU A 62 -1.659 16.920 10.236 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.729 17.447 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.689 15.994 7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.530 17.066 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.510 18.848 6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.725 17.734 5.735 1.00 0.00 H new ATOM 812 N LYS A 63 -1.045 19.894 7.650 1.00 0.00 N ATOM 813 CA LYS A 63 -1.238 21.337 7.708 1.00 0.00 C ATOM 814 C LYS A 63 -1.744 21.881 6.377 1.00 0.00 C ATOM 815 O LYS A 63 -1.567 21.254 5.333 1.00 0.00 O ATOM 816 CB LYS A 63 0.064 22.037 8.102 1.00 0.00 C ATOM 817 CG LYS A 63 0.511 21.775 9.533 1.00 0.00 C ATOM 818 CD LYS A 63 1.760 22.572 9.878 1.00 0.00 C ATOM 819 CE LYS A 63 2.173 22.358 11.327 1.00 0.00 C ATOM 820 NZ LYS A 63 3.383 23.148 11.684 1.00 0.00 N ATOM 0 H LYS A 63 -0.463 19.578 6.874 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.993 21.541 8.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.854 21.717 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.059 23.111 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.292 22.038 10.221 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.708 20.711 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.576 22.276 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.577 23.632 9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.350 22.639 11.984 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.369 21.299 11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.630 22.974 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.176 22.863 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.189 24.161 11.548 1.00 0.00 H new ATOM 834 N THR A 64 -2.373 23.050 6.422 1.00 0.00 N ATOM 835 CA THR A 64 -2.834 23.718 5.212 1.00 0.00 C ATOM 836 C THR A 64 -1.973 24.933 4.891 1.00 0.00 C ATOM 837 O THR A 64 -1.828 25.838 5.714 1.00 0.00 O ATOM 838 CB THR A 64 -4.304 24.161 5.335 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.135 23.012 5.550 1.00 0.00 O ATOM 840 CG2 THR A 64 -4.753 24.878 4.072 1.00 0.00 C ATOM 0 H THR A 64 -2.575 23.555 7.285 1.00 0.00 H new ATOM 0 HA THR A 64 -2.750 22.993 4.403 1.00 0.00 H new ATOM 0 HB THR A 64 -4.392 24.845 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.070 23.295 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.794 25.183 4.178 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.131 25.759 3.913 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.657 24.207 3.219 1.00 0.00 H new ATOM 848 N TYR A 65 -1.405 24.950 3.691 1.00 0.00 N ATOM 849 CA TYR A 65 -0.543 26.046 3.266 1.00 0.00 C ATOM 850 C TYR A 65 -0.984 26.604 1.919 1.00 0.00 C ATOM 851 O TYR A 65 -0.712 26.015 0.873 1.00 0.00 O ATOM 852 CB TYR A 65 0.914 25.583 3.190 1.00 0.00 C ATOM 853 CG TYR A 65 1.896 26.695 2.894 1.00 0.00 C ATOM 854 CD1 TYR A 65 2.328 27.550 3.897 1.00 0.00 C ATOM 855 CD2 TYR A 65 2.390 26.884 1.612 1.00 0.00 C ATOM 856 CE1 TYR A 65 3.224 28.567 3.633 1.00 0.00 C ATOM 857 CE2 TYR A 65 3.287 27.898 1.336 1.00 0.00 C ATOM 858 CZ TYR A 65 3.702 28.737 2.349 1.00 0.00 C ATOM 859 OH TYR A 65 4.596 29.748 2.079 1.00 0.00 O ATOM 0 H TYR A 65 -1.526 24.215 2.994 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.625 26.840 4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.186 25.114 4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.002 24.819 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.957 27.418 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 65 2.068 26.228 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.549 29.225 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.661 28.033 0.332 1.00 0.00 H new ATOM 0 HH TYR A 65 4.834 29.729 1.128 1.00 0.00 H new ATOM 869 N GLY A 66 -1.668 27.742 1.951 1.00 0.00 N ATOM 870 CA GLY A 66 -2.204 28.350 0.739 1.00 0.00 C ATOM 871 C GLY A 66 -3.432 27.597 0.243 1.00 0.00 C ATOM 872 O GLY A 66 -4.464 27.564 0.912 1.00 0.00 O ATOM 0 H GLY A 66 -1.865 28.263 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.466 29.390 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.439 28.356 -0.037 1.00 0.00 H new ATOM 876 N LYS A 67 -3.314 26.995 -0.936 1.00 0.00 N ATOM 877 CA LYS A 67 -4.397 26.198 -1.500 1.00 0.00 C ATOM 878 C LYS A 67 -4.078 24.709 -1.434 1.00 0.00 C ATOM 879 O LYS A 67 -4.927 23.869 -1.728 1.00 0.00 O ATOM 880 CB LYS A 67 -4.670 26.614 -2.946 1.00 0.00 C ATOM 881 CG LYS A 67 -5.180 28.040 -3.105 1.00 0.00 C ATOM 882 CD LYS A 67 -5.447 28.373 -4.565 1.00 0.00 C ATOM 883 CE LYS A 67 -5.937 29.803 -4.727 1.00 0.00 C ATOM 884 NZ LYS A 67 -6.200 30.144 -6.152 1.00 0.00 N ATOM 0 H LYS A 67 -2.479 27.044 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.291 26.381 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.752 26.503 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.401 25.930 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.096 28.167 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.448 28.738 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.535 28.231 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.190 27.684 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.849 29.942 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.194 30.489 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.532 31.127 -6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.324 30.037 -6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.928 29.506 -6.533 1.00 0.00 H new ATOM 898 N GLN A 68 -2.848 24.390 -1.047 1.00 0.00 N ATOM 899 CA GLN A 68 -2.403 23.004 -0.975 1.00 0.00 C ATOM 900 C GLN A 68 -2.190 22.568 0.469 1.00 0.00 C ATOM 901 O GLN A 68 -2.229 23.387 1.387 1.00 0.00 O ATOM 902 CB GLN A 68 -1.107 22.814 -1.768 1.00 0.00 C ATOM 903 CG GLN A 68 -1.222 23.165 -3.241 1.00 0.00 C ATOM 904 CD GLN A 68 -2.221 22.286 -3.970 1.00 0.00 C ATOM 905 OE1 GLN A 68 -2.235 21.063 -3.797 1.00 0.00 O ATOM 906 NE2 GLN A 68 -3.061 22.903 -4.793 1.00 0.00 N ATOM 0 H GLN A 68 -2.141 25.074 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.185 22.383 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.326 23.428 -1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.787 21.776 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.520 24.209 -3.341 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.244 23.067 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.014 23.916 -4.905 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.754 22.364 -5.313 1.00 0.00 H new ATOM 915 N LYS A 69 -1.965 21.272 0.664 1.00 0.00 N ATOM 916 CA LYS A 69 -1.725 20.728 1.996 1.00 0.00 C ATOM 917 C LYS A 69 -0.291 20.237 2.140 1.00 0.00 C ATOM 918 O LYS A 69 0.333 19.816 1.166 1.00 0.00 O ATOM 919 CB LYS A 69 -2.703 19.591 2.293 1.00 0.00 C ATOM 920 CG LYS A 69 -4.156 20.027 2.421 1.00 0.00 C ATOM 921 CD LYS A 69 -5.036 18.887 2.911 1.00 0.00 C ATOM 922 CE LYS A 69 -6.460 19.356 3.168 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.260 18.334 3.898 1.00 0.00 N ATOM 0 H LYS A 69 -1.944 20.579 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.884 21.529 2.718 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.628 18.848 1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.401 19.101 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.226 20.866 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.518 20.379 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.043 18.087 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.618 18.470 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.439 20.280 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.944 19.585 2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.213 18.706 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.331 17.472 3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.795 18.109 4.801 1.00 0.00 H new ATOM 937 N ILE A 70 0.228 20.294 3.362 1.00 0.00 N ATOM 938 CA ILE A 70 1.577 19.818 3.644 1.00 0.00 C ATOM 939 C ILE A 70 1.567 18.734 4.714 1.00 0.00 C ATOM 940 O ILE A 70 0.924 18.880 5.754 1.00 0.00 O ATOM 941 CB ILE A 70 2.497 20.965 4.099 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.650 22.002 2.982 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.856 20.424 4.517 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.427 23.232 3.393 1.00 0.00 C ATOM 0 H ILE A 70 -0.266 20.666 4.173 1.00 0.00 H new ATOM 0 HA ILE A 70 1.963 19.402 2.714 1.00 0.00 H new ATOM 0 HB ILE A 70 2.042 21.452 4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.149 21.536 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.660 22.306 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.494 21.249 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.730 19.723 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.319 19.912 3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.493 23.919 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.918 23.723 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.431 22.941 3.704 1.00 0.00 H new ATOM 956 N TYR A 71 2.282 17.644 4.452 1.00 0.00 N ATOM 957 CA TYR A 71 2.307 16.507 5.364 1.00 0.00 C ATOM 958 C TYR A 71 3.715 16.245 5.881 1.00 0.00 C ATOM 959 O TYR A 71 4.696 16.448 5.166 1.00 0.00 O ATOM 960 CB TYR A 71 1.760 15.256 4.673 1.00 0.00 C ATOM 961 CG TYR A 71 0.295 15.347 4.309 1.00 0.00 C ATOM 962 CD1 TYR A 71 -0.110 15.941 3.123 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.681 14.837 5.154 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.448 16.027 2.786 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.020 14.917 4.827 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.400 15.512 3.641 1.00 0.00 C ATOM 967 OH TYR A 71 -3.734 15.594 3.311 1.00 0.00 O ATOM 0 H TYR A 71 2.852 17.525 3.615 1.00 0.00 H new ATOM 0 HA TYR A 71 1.672 16.749 6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.338 15.071 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.909 14.397 5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.633 16.344 2.451 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.388 14.370 6.083 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.746 16.494 1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.767 14.516 5.496 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.261 15.763 4.120 1.00 0.00 H new ATOM 977 N PHE A 72 3.808 15.793 7.127 1.00 0.00 N ATOM 978 CA PHE A 72 5.090 15.418 7.711 1.00 0.00 C ATOM 979 C PHE A 72 4.909 14.386 8.818 1.00 0.00 C ATOM 980 O PHE A 72 3.874 14.349 9.482 1.00 0.00 O ATOM 981 CB PHE A 72 5.811 16.653 8.256 1.00 0.00 C ATOM 982 CG PHE A 72 5.078 17.339 9.373 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.108 18.293 9.102 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.356 17.032 10.697 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.434 18.926 10.128 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.682 17.664 11.725 1.00 0.00 C ATOM 987 CZ PHE A 72 3.722 18.611 11.441 1.00 0.00 C ATOM 0 H PHE A 72 3.010 15.678 7.752 1.00 0.00 H new ATOM 0 HA PHE A 72 5.698 14.971 6.924 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.799 16.359 8.609 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.961 17.363 7.443 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.877 18.544 8.077 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.107 16.291 10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.682 19.667 9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.908 17.415 12.751 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.196 19.106 12.244 1.00 0.00 H new ATOM 997 N ALA A 73 5.924 13.550 9.011 1.00 0.00 N ATOM 998 CA ALA A 73 5.886 12.528 10.050 1.00 0.00 C ATOM 999 C ALA A 73 6.554 13.017 11.328 1.00 0.00 C ATOM 1000 O ALA A 73 7.766 13.227 11.366 1.00 0.00 O ATOM 1001 CB ALA A 73 6.548 11.248 9.558 1.00 0.00 C ATOM 0 H ALA A 73 6.783 13.560 8.461 1.00 0.00 H new ATOM 0 HA ALA A 73 4.841 12.317 10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.512 10.494 10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.020 10.880 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.587 11.452 9.298 1.00 0.00 H new ATOM 1007 N ASP A 74 5.756 13.196 12.375 1.00 0.00 N ATOM 1008 CA ASP A 74 6.265 13.689 13.650 1.00 0.00 C ATOM 1009 C ASP A 74 7.032 12.603 14.393 1.00 0.00 C ATOM 1010 O ASP A 74 8.168 12.357 14.092 1.00 0.00 O ATOM 1011 CB ASP A 74 5.118 14.210 14.520 1.00 0.00 C ATOM 1012 CG ASP A 74 5.564 14.970 15.762 1.00 0.00 C ATOM 1013 OD1 ASP A 74 6.276 14.402 16.556 1.00 0.00 O ATOM 1014 OD2 ASP A 74 5.322 16.150 15.829 1.00 0.00 O ATOM 0 H ASP A 74 4.754 13.007 12.366 1.00 0.00 H new ATOM 0 HA ASP A 74 6.951 14.509 13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.488 14.863 13.916 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.500 13.367 14.828 1.00 0.00 H new TER 1019 ASP A 74