USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -70:sc= -4.14! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot -7:sc= -2.19! USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 10:sc= 0.979 USER MOD Single : A 667 LYS NZ :NH3+ -137:sc= 1.2 (180deg=0.654) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 61:sc= -2.04! USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.711 K(o=-0.71,f=-2.6) USER MOD Single : A 681 LYS NZ :NH3+ -162:sc= -0.0155 (180deg=-0.149) USER MOD Single : A 682 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 683 ASN : amide:sc= 0 X(o=0,f=0.025) USER MOD Single : B 410 HIS : no HD1:sc= -0.702 K(o=-0.7,f=-0.094) USER MOD Single : B 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 412 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : B 413 MET CE :methyl 176:sc= 0 (180deg=-0.0141) USER MOD Single : B 415 SER OG : rot 180:sc=-0.00453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 6.488 0.817 15.930 1.00 0.00 N ATOM 2 CA GLY A 651 7.744 1.187 15.222 1.00 0.00 C ATOM 3 C GLY A 651 7.863 0.522 13.865 1.00 0.00 C ATOM 4 O GLY A 651 8.399 -0.579 13.751 1.00 0.00 O ATOM 0 HA2 GLY A 651 7.782 2.269 15.097 1.00 0.00 H new ATOM 0 HA3 GLY A 651 8.600 0.907 15.836 1.00 0.00 H new ATOM 9 N ALA A 652 7.362 1.194 12.833 1.00 0.00 N ATOM 10 CA ALA A 652 7.414 0.662 11.477 1.00 0.00 C ATOM 11 C ALA A 652 7.078 1.738 10.451 1.00 0.00 C ATOM 12 O ALA A 652 7.917 2.110 9.630 1.00 0.00 O ATOM 13 CB ALA A 652 6.462 -0.518 11.335 1.00 0.00 C ATOM 0 H ALA A 652 6.916 2.108 12.911 1.00 0.00 H new ATOM 0 HA ALA A 652 8.432 0.320 11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 652 6.511 -0.905 10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 652 6.748 -1.302 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 652 5.444 -0.192 11.550 1.00 0.00 H new ATOM 19 N ASP A 653 5.843 2.229 10.500 1.00 0.00 N ATOM 20 CA ASP A 653 5.390 3.260 9.571 1.00 0.00 C ATOM 21 C ASP A 653 5.650 2.840 8.131 1.00 0.00 C ATOM 22 O ASP A 653 6.705 3.124 7.564 1.00 0.00 O ATOM 23 CB ASP A 653 6.082 4.592 9.866 1.00 0.00 C ATOM 24 CG ASP A 653 5.696 5.156 11.220 1.00 0.00 C ATOM 25 OD1 ASP A 653 5.255 4.372 12.086 1.00 0.00 O ATOM 26 OD2 ASP A 653 5.836 6.382 11.414 1.00 0.00 O ATOM 0 H ASP A 653 5.138 1.930 11.173 1.00 0.00 H new ATOM 0 HA ASP A 653 4.316 3.388 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 653 7.162 4.453 9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.825 5.312 9.089 1.00 0.00 H new ATOM 31 N TYR A 654 4.677 2.151 7.557 1.00 0.00 N ATOM 32 CA TYR A 654 4.777 1.666 6.185 1.00 0.00 C ATOM 33 C TYR A 654 3.403 1.605 5.542 1.00 0.00 C ATOM 34 O TYR A 654 3.013 0.584 4.976 1.00 0.00 O ATOM 35 CB TYR A 654 5.405 0.273 6.173 1.00 0.00 C ATOM 36 CG TYR A 654 4.653 -0.745 7.013 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.521 -0.392 7.756 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.083 -2.066 7.072 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.855 -1.317 8.518 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.414 -3.001 7.839 1.00 0.00 C ATOM 41 CZ TYR A 654 3.302 -2.621 8.562 1.00 0.00 C ATOM 42 OH TYR A 654 2.634 -3.549 9.328 1.00 0.00 O ATOM 0 H TYR A 654 3.801 1.912 8.022 1.00 0.00 H new ATOM 0 HA TYR A 654 5.403 2.355 5.618 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.455 -0.084 5.144 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.430 0.344 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.166 0.627 7.729 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.954 -2.366 6.509 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.982 -1.025 9.083 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.760 -4.024 7.872 1.00 0.00 H new ATOM 0 HH TYR A 654 3.077 -4.419 9.248 1.00 0.00 H new ATOM 52 N SER A 655 2.669 2.698 5.642 1.00 0.00 N ATOM 53 CA SER A 655 1.333 2.770 5.077 1.00 0.00 C ATOM 54 C SER A 655 1.296 3.726 3.897 1.00 0.00 C ATOM 55 O SER A 655 0.414 3.643 3.044 1.00 0.00 O ATOM 56 CB SER A 655 0.337 3.208 6.147 1.00 0.00 C ATOM 57 OG SER A 655 1.003 3.555 7.347 1.00 0.00 O ATOM 0 H SER A 655 2.976 3.550 6.110 1.00 0.00 H new ATOM 0 HA SER A 655 1.055 1.779 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.238 4.061 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.372 2.403 6.340 1.00 0.00 H new ATOM 0 HG SER A 655 1.367 2.747 7.765 1.00 0.00 H new ATOM 63 N ALA A 656 2.267 4.623 3.849 1.00 0.00 N ATOM 64 CA ALA A 656 2.353 5.585 2.767 1.00 0.00 C ATOM 65 C ALA A 656 3.124 4.997 1.608 1.00 0.00 C ATOM 66 O ALA A 656 2.687 5.052 0.458 1.00 0.00 O ATOM 67 CB ALA A 656 3.031 6.854 3.237 1.00 0.00 C ATOM 0 H ALA A 656 3.006 4.704 4.547 1.00 0.00 H new ATOM 0 HA ALA A 656 1.341 5.826 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.087 7.564 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 656 2.458 7.292 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.038 6.622 3.584 1.00 0.00 H new ATOM 73 N GLN A 657 4.278 4.436 1.923 1.00 0.00 N ATOM 74 CA GLN A 657 5.115 3.837 0.908 1.00 0.00 C ATOM 75 C GLN A 657 4.517 2.518 0.442 1.00 0.00 C ATOM 76 O GLN A 657 4.770 2.072 -0.674 1.00 0.00 O ATOM 77 CB GLN A 657 6.535 3.623 1.433 1.00 0.00 C ATOM 78 CG GLN A 657 7.507 3.123 0.376 1.00 0.00 C ATOM 79 CD GLN A 657 8.879 3.755 0.500 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.122 4.845 -0.018 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.785 3.072 1.189 1.00 0.00 N ATOM 0 H GLN A 657 4.653 4.384 2.870 1.00 0.00 H new ATOM 0 HA GLN A 657 5.165 4.518 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 657 6.908 4.562 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 657 6.505 2.907 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.601 2.040 0.458 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.102 3.334 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.540 2.172 1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.726 3.447 1.306 1.00 0.00 H new ATOM 90 N TRP A 658 3.707 1.896 1.296 1.00 0.00 N ATOM 91 CA TRP A 658 3.071 0.641 0.938 1.00 0.00 C ATOM 92 C TRP A 658 1.901 0.919 0.015 1.00 0.00 C ATOM 93 O TRP A 658 1.634 0.157 -0.912 1.00 0.00 O ATOM 94 CB TRP A 658 2.601 -0.107 2.183 1.00 0.00 C ATOM 95 CG TRP A 658 3.566 -1.156 2.647 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.276 -2.255 3.403 1.00 0.00 C ATOM 97 CD2 TRP A 658 4.977 -1.208 2.386 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.416 -2.987 3.627 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.472 -2.366 3.015 1.00 0.00 C ATOM 100 CE3 TRP A 658 5.869 -0.393 1.684 1.00 0.00 C ATOM 101 CZ2 TRP A 658 6.816 -2.724 2.959 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.202 -0.751 1.631 1.00 0.00 C ATOM 103 CH2 TRP A 658 7.664 -1.908 2.265 1.00 0.00 C ATOM 0 H TRP A 658 3.480 2.240 2.229 1.00 0.00 H new ATOM 0 HA TRP A 658 3.797 0.010 0.425 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.439 0.609 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.639 -0.575 1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.294 -2.511 3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.468 -3.853 4.163 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.522 0.503 1.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.176 -3.617 3.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 7.899 -0.127 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 658 8.712 -2.162 2.205 1.00 0.00 H new ATOM 114 N ALA A 659 1.222 2.033 0.259 1.00 0.00 N ATOM 115 CA ALA A 659 0.100 2.419 -0.571 1.00 0.00 C ATOM 116 C ALA A 659 0.599 2.807 -1.955 1.00 0.00 C ATOM 117 O ALA A 659 -0.079 2.580 -2.954 1.00 0.00 O ATOM 118 CB ALA A 659 -0.689 3.559 0.071 1.00 0.00 C ATOM 0 H ALA A 659 1.431 2.678 1.021 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.577 1.570 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.526 3.830 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -1.067 3.238 1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.038 4.423 0.202 1.00 0.00 H new ATOM 124 N GLU A 660 1.806 3.375 -2.011 1.00 0.00 N ATOM 125 CA GLU A 660 2.397 3.765 -3.286 1.00 0.00 C ATOM 126 C GLU A 660 2.433 2.568 -4.225 1.00 0.00 C ATOM 127 O GLU A 660 2.354 2.712 -5.444 1.00 0.00 O ATOM 128 CB GLU A 660 3.808 4.341 -3.099 1.00 0.00 C ATOM 129 CG GLU A 660 4.919 3.299 -3.022 1.00 0.00 C ATOM 130 CD GLU A 660 5.800 3.288 -4.256 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.847 4.318 -4.963 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.446 2.251 -4.515 1.00 0.00 O ATOM 0 H GLU A 660 2.386 3.572 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 660 1.777 4.548 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.021 5.019 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.824 4.937 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.534 3.494 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.477 2.312 -2.888 1.00 0.00 H new ATOM 139 N TYR A 661 2.545 1.383 -3.635 1.00 0.00 N ATOM 140 CA TYR A 661 2.582 0.153 -4.403 1.00 0.00 C ATOM 141 C TYR A 661 1.209 -0.152 -4.961 1.00 0.00 C ATOM 142 O TYR A 661 1.009 -0.182 -6.174 1.00 0.00 O ATOM 143 CB TYR A 661 3.078 -0.997 -3.529 1.00 0.00 C ATOM 144 CG TYR A 661 4.572 -0.973 -3.364 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.380 -0.814 -4.472 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.173 -1.083 -2.116 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.745 -0.767 -4.361 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.549 -1.030 -1.985 1.00 0.00 C ATOM 149 CZ TYR A 661 7.334 -0.873 -3.115 1.00 0.00 C ATOM 150 OH TYR A 661 8.705 -0.807 -2.997 1.00 0.00 O ATOM 0 H TYR A 661 2.612 1.253 -2.626 1.00 0.00 H new ATOM 0 HA TYR A 661 3.274 0.274 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.604 -0.939 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.777 -1.946 -3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.926 -0.725 -5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.558 -1.211 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.357 -0.648 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.007 -1.110 -1.010 1.00 0.00 H new ATOM 0 HH TYR A 661 9.110 -0.799 -3.889 1.00 0.00 H new ATOM 160 N TYR A 662 0.258 -0.343 -4.066 1.00 0.00 N ATOM 161 CA TYR A 662 -1.111 -0.616 -4.460 1.00 0.00 C ATOM 162 C TYR A 662 -1.667 0.546 -5.268 1.00 0.00 C ATOM 163 O TYR A 662 -2.664 0.404 -5.973 1.00 0.00 O ATOM 164 CB TYR A 662 -1.958 -0.877 -3.221 1.00 0.00 C ATOM 165 CG TYR A 662 -1.272 -1.793 -2.245 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.248 -3.165 -2.440 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.625 -1.273 -1.142 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.595 -3.995 -1.552 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.027 -2.086 -0.247 1.00 0.00 C ATOM 170 CZ TYR A 662 0.043 -3.452 -0.453 1.00 0.00 C ATOM 171 OH TYR A 662 0.697 -4.272 0.436 1.00 0.00 O ATOM 0 H TYR A 662 0.409 -0.314 -3.058 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.136 -1.505 -5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.183 0.070 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.910 -1.315 -3.520 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.747 -3.590 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.632 -0.205 -0.979 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.583 -5.063 -1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.524 -1.660 0.612 1.00 0.00 H new ATOM 0 HH TYR A 662 1.092 -3.730 1.151 1.00 0.00 H new ATOM 181 N ARG A 663 -1.000 1.697 -5.179 1.00 0.00 N ATOM 182 CA ARG A 663 -1.421 2.869 -5.923 1.00 0.00 C ATOM 183 C ARG A 663 -1.153 2.679 -7.409 1.00 0.00 C ATOM 184 O ARG A 663 -1.644 3.445 -8.239 1.00 0.00 O ATOM 185 CB ARG A 663 -0.699 4.131 -5.425 1.00 0.00 C ATOM 186 CG ARG A 663 -1.362 4.844 -4.245 1.00 0.00 C ATOM 187 CD ARG A 663 -2.847 4.543 -4.141 1.00 0.00 C ATOM 188 NE ARG A 663 -3.467 5.225 -3.007 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.828 6.507 -3.020 1.00 0.00 C ATOM 190 NH1 ARG A 663 -3.631 7.248 -4.104 1.00 0.00 N ATOM 191 NH2 ARG A 663 -4.386 7.049 -1.946 1.00 0.00 N ATOM 0 H ARG A 663 -0.171 1.836 -4.601 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.492 2.997 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 663 0.317 3.859 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.619 4.834 -6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.869 4.544 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -1.219 5.920 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.344 4.847 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -2.992 3.467 -4.041 1.00 0.00 H new ATOM 0 HE ARG A 663 -3.633 4.688 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -3.201 6.836 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.909 8.229 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -4.539 6.484 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -4.663 8.031 -1.955 1.00 0.00 H new ATOM 205 N SER A 664 -0.375 1.657 -7.743 1.00 0.00 N ATOM 206 CA SER A 664 -0.057 1.378 -9.131 1.00 0.00 C ATOM 207 C SER A 664 0.351 -0.076 -9.339 1.00 0.00 C ATOM 208 O SER A 664 0.934 -0.428 -10.365 1.00 0.00 O ATOM 209 CB SER A 664 1.021 2.332 -9.616 1.00 0.00 C ATOM 210 OG SER A 664 1.636 1.861 -10.804 1.00 0.00 O ATOM 0 H SER A 664 0.044 1.012 -7.073 1.00 0.00 H new ATOM 0 HA SER A 664 -0.957 1.536 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.585 3.315 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.775 2.456 -8.839 1.00 0.00 H new ATOM 0 HG SER A 664 1.134 1.094 -11.150 1.00 0.00 H new ATOM 216 N VAL A 665 0.002 -0.927 -8.379 1.00 0.00 N ATOM 217 CA VAL A 665 0.293 -2.347 -8.480 1.00 0.00 C ATOM 218 C VAL A 665 -0.995 -3.108 -8.791 1.00 0.00 C ATOM 219 O VAL A 665 -0.961 -4.268 -9.202 1.00 0.00 O ATOM 220 CB VAL A 665 0.956 -2.907 -7.193 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.079 -3.402 -6.185 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.932 -4.019 -7.544 1.00 0.00 C ATOM 0 H VAL A 665 -0.483 -0.655 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 665 1.010 -2.485 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 665 1.501 -2.089 -6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.429 -3.785 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.732 -2.577 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.674 -4.197 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.390 -4.403 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.399 -4.825 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.708 -3.628 -8.203 1.00 0.00 H new ATOM 232 N GLY A 666 -2.134 -2.434 -8.595 1.00 0.00 N ATOM 233 CA GLY A 666 -3.416 -3.055 -8.867 1.00 0.00 C ATOM 234 C GLY A 666 -4.286 -3.148 -7.633 1.00 0.00 C ATOM 235 O GLY A 666 -4.960 -4.155 -7.416 1.00 0.00 O ATOM 0 H GLY A 666 -2.186 -1.474 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.938 -2.483 -9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.254 -4.055 -9.270 1.00 0.00 H new ATOM 239 N LYS A 667 -4.271 -2.098 -6.819 1.00 0.00 N ATOM 240 CA LYS A 667 -5.066 -2.077 -5.597 1.00 0.00 C ATOM 241 C LYS A 667 -5.170 -0.666 -5.023 1.00 0.00 C ATOM 242 O LYS A 667 -5.111 -0.486 -3.810 1.00 0.00 O ATOM 243 CB LYS A 667 -4.449 -3.013 -4.554 1.00 0.00 C ATOM 244 CG LYS A 667 -4.892 -4.461 -4.690 1.00 0.00 C ATOM 245 CD LYS A 667 -3.781 -5.337 -5.247 1.00 0.00 C ATOM 246 CE LYS A 667 -4.318 -6.665 -5.755 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.432 -6.688 -7.239 1.00 0.00 N ATOM 0 H LYS A 667 -3.720 -1.255 -6.982 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.071 -2.418 -5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.363 -2.966 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.710 -2.655 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.201 -4.840 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -5.762 -4.516 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.276 -4.813 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -3.036 -5.517 -4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.660 -7.471 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.296 -6.854 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -5.334 -7.129 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -4.398 -5.715 -7.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -3.644 -7.236 -7.639 1.00 0.00 H new ATOM 261 N ILE A 668 -5.335 0.331 -5.891 1.00 0.00 N ATOM 262 CA ILE A 668 -5.456 1.721 -5.443 1.00 0.00 C ATOM 263 C ILE A 668 -6.547 1.848 -4.397 1.00 0.00 C ATOM 264 O ILE A 668 -6.318 2.337 -3.292 1.00 0.00 O ATOM 265 CB ILE A 668 -5.773 2.675 -6.613 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.505 2.949 -7.407 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.379 3.986 -6.109 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.095 1.802 -8.303 1.00 0.00 C ATOM 0 H ILE A 668 -5.388 0.206 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.494 2.002 -5.015 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.508 2.196 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.653 3.841 -8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.692 3.167 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.592 4.638 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.304 3.776 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.674 4.479 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.183 2.067 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.915 0.914 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.891 1.598 -9.019 1.00 0.00 H new ATOM 280 N GLU A 669 -7.734 1.396 -4.762 1.00 0.00 N ATOM 281 CA GLU A 669 -8.879 1.438 -3.874 1.00 0.00 C ATOM 282 C GLU A 669 -8.501 0.907 -2.500 1.00 0.00 C ATOM 283 O GLU A 669 -8.630 1.608 -1.497 1.00 0.00 O ATOM 284 CB GLU A 669 -10.007 0.620 -4.491 1.00 0.00 C ATOM 285 CG GLU A 669 -11.387 1.227 -4.291 1.00 0.00 C ATOM 286 CD GLU A 669 -11.740 2.235 -5.367 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.352 2.018 -6.535 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.406 3.241 -5.043 1.00 0.00 O ATOM 0 H GLU A 669 -7.929 0.992 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.214 2.467 -3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.821 0.509 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.995 -0.381 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.132 0.432 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.429 1.712 -3.316 1.00 0.00 H new ATOM 295 N GLU A 670 -7.991 -0.315 -2.465 1.00 0.00 N ATOM 296 CA GLU A 670 -7.547 -0.900 -1.212 1.00 0.00 C ATOM 297 C GLU A 670 -6.331 -0.140 -0.715 1.00 0.00 C ATOM 298 O GLU A 670 -6.040 -0.133 0.480 1.00 0.00 O ATOM 299 CB GLU A 670 -7.217 -2.384 -1.392 1.00 0.00 C ATOM 300 CG GLU A 670 -8.401 -3.304 -1.147 1.00 0.00 C ATOM 301 CD GLU A 670 -8.448 -3.830 0.274 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.513 -3.006 1.210 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.419 -5.067 0.451 1.00 0.00 O ATOM 0 H GLU A 670 -7.876 -0.915 -3.282 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.348 -0.826 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.846 -2.545 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.411 -2.654 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -9.324 -2.766 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.353 -4.144 -1.840 1.00 0.00 H new ATOM 310 N ALA A 671 -5.628 0.529 -1.635 1.00 0.00 N ATOM 311 CA ALA A 671 -4.472 1.306 -1.253 1.00 0.00 C ATOM 312 C ALA A 671 -4.897 2.452 -0.351 1.00 0.00 C ATOM 313 O ALA A 671 -4.112 2.952 0.453 1.00 0.00 O ATOM 314 CB ALA A 671 -3.717 1.818 -2.455 1.00 0.00 C ATOM 0 H ALA A 671 -5.844 0.541 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.792 0.654 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.855 2.397 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.378 0.975 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.372 2.452 -3.053 1.00 0.00 H new ATOM 320 N GLU A 672 -6.164 2.841 -0.448 1.00 0.00 N ATOM 321 CA GLU A 672 -6.671 3.883 0.420 1.00 0.00 C ATOM 322 C GLU A 672 -6.743 3.330 1.840 1.00 0.00 C ATOM 323 O GLU A 672 -6.855 4.080 2.811 1.00 0.00 O ATOM 324 CB GLU A 672 -8.040 4.367 -0.059 1.00 0.00 C ATOM 325 CG GLU A 672 -8.073 4.737 -1.538 1.00 0.00 C ATOM 326 CD GLU A 672 -9.466 4.647 -2.131 1.00 0.00 C ATOM 327 OE1 GLU A 672 -10.441 4.584 -1.352 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.582 4.638 -3.374 1.00 0.00 O ATOM 0 H GLU A 672 -6.842 2.457 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 672 -6.004 4.745 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.778 3.587 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.336 5.234 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.694 5.751 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.404 4.076 -2.089 1.00 0.00 H new ATOM 335 N ALA A 673 -6.637 2.000 1.947 1.00 0.00 N ATOM 336 CA ALA A 673 -6.643 1.324 3.231 1.00 0.00 C ATOM 337 C ALA A 673 -5.275 1.473 3.888 1.00 0.00 C ATOM 338 O ALA A 673 -5.167 1.742 5.085 1.00 0.00 O ATOM 339 CB ALA A 673 -6.993 -0.147 3.054 1.00 0.00 C ATOM 0 H ALA A 673 -6.546 1.374 1.147 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.399 1.777 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -6.993 -0.640 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -7.981 -0.234 2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.255 -0.621 2.407 1.00 0.00 H new ATOM 345 N ILE A 674 -4.232 1.316 3.071 1.00 0.00 N ATOM 346 CA ILE A 674 -2.844 1.452 3.534 1.00 0.00 C ATOM 347 C ILE A 674 -2.671 2.762 4.277 1.00 0.00 C ATOM 348 O ILE A 674 -2.215 2.794 5.414 1.00 0.00 O ATOM 349 CB ILE A 674 -1.808 1.444 2.375 1.00 0.00 C ATOM 350 CG1 ILE A 674 -2.423 0.935 1.070 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.568 0.645 2.749 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.540 -0.562 0.945 1.00 0.00 C ATOM 0 H ILE A 674 -4.320 1.093 2.080 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.660 0.590 4.175 1.00 0.00 H new ATOM 0 HB ILE A 674 -1.501 2.476 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -3.417 1.369 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.824 1.305 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.138 0.658 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.101 1.088 3.629 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.851 -0.384 2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.988 -0.813 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -1.549 -1.011 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -3.168 -0.946 1.749 1.00 0.00 H new ATOM 364 N GLU A 675 -3.041 3.853 3.616 1.00 0.00 N ATOM 365 CA GLU A 675 -2.922 5.173 4.210 1.00 0.00 C ATOM 366 C GLU A 675 -3.524 5.198 5.614 1.00 0.00 C ATOM 367 O GLU A 675 -3.151 6.026 6.443 1.00 0.00 O ATOM 368 CB GLU A 675 -3.580 6.213 3.305 1.00 0.00 C ATOM 369 CG GLU A 675 -2.591 7.174 2.670 1.00 0.00 C ATOM 370 CD GLU A 675 -3.272 8.316 1.941 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.221 8.899 2.505 1.00 0.00 O ATOM 372 OE2 GLU A 675 -2.855 8.628 0.806 1.00 0.00 O ATOM 0 H GLU A 675 -3.425 3.847 2.671 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.865 5.420 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.133 5.701 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.306 6.782 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -1.937 7.580 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -1.958 6.628 1.971 1.00 0.00 H new ATOM 379 N LYS A 676 -4.447 4.277 5.881 1.00 0.00 N ATOM 380 CA LYS A 676 -5.074 4.194 7.194 1.00 0.00 C ATOM 381 C LYS A 676 -4.118 3.589 8.219 1.00 0.00 C ATOM 382 O LYS A 676 -4.187 3.913 9.405 1.00 0.00 O ATOM 383 CB LYS A 676 -6.361 3.370 7.123 1.00 0.00 C ATOM 384 CG LYS A 676 -7.437 3.835 8.090 1.00 0.00 C ATOM 385 CD LYS A 676 -7.307 3.149 9.440 1.00 0.00 C ATOM 386 CE LYS A 676 -8.648 3.060 10.151 1.00 0.00 C ATOM 387 NZ LYS A 676 -8.503 3.174 11.628 1.00 0.00 N ATOM 0 H LYS A 676 -4.774 3.583 5.209 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.322 5.207 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.754 3.413 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.126 2.326 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.368 4.915 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.421 3.628 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -6.900 2.147 9.303 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -6.600 3.698 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.304 3.852 9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.127 2.112 9.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -9.440 3.108 12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -7.898 2.404 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -8.070 4.089 11.865 1.00 0.00 H new ATOM 401 N THR A 677 -3.212 2.723 7.763 1.00 0.00 N ATOM 402 CA THR A 677 -2.244 2.108 8.667 1.00 0.00 C ATOM 403 C THR A 677 -1.318 3.176 9.235 1.00 0.00 C ATOM 404 O THR A 677 -0.784 3.028 10.332 1.00 0.00 O ATOM 405 CB THR A 677 -1.427 1.009 7.970 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.853 0.826 6.632 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.527 -0.330 8.665 1.00 0.00 C ATOM 0 H THR A 677 -3.129 2.436 6.788 1.00 0.00 H new ATOM 0 HA THR A 677 -2.797 1.636 9.479 1.00 0.00 H new ATOM 0 HB THR A 677 -0.394 1.354 8.006 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.720 1.657 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.929 -1.065 8.126 1.00 0.00 H new ATOM 0 HG22 THR A 677 -1.156 -0.239 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.568 -0.653 8.685 1.00 0.00 H new ATOM 415 N LEU A 678 -1.147 4.264 8.485 1.00 0.00 N ATOM 416 CA LEU A 678 -0.304 5.368 8.923 1.00 0.00 C ATOM 417 C LEU A 678 -0.721 5.817 10.314 1.00 0.00 C ATOM 418 O LEU A 678 0.112 6.193 11.138 1.00 0.00 O ATOM 419 CB LEU A 678 -0.401 6.537 7.941 1.00 0.00 C ATOM 420 CG LEU A 678 0.911 6.922 7.259 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.015 6.256 5.895 1.00 0.00 C ATOM 422 CD2 LEU A 678 1.018 8.434 7.129 1.00 0.00 C ATOM 0 H LEU A 678 -1.582 4.401 7.573 1.00 0.00 H new ATOM 0 HA LEU A 678 0.731 5.027 8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.132 6.286 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.785 7.407 8.473 1.00 0.00 H new ATOM 0 HG LEU A 678 1.739 6.572 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 678 1.955 6.540 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 678 0.982 5.173 6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.182 6.577 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.958 8.692 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.186 8.808 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.987 8.887 8.120 1.00 0.00 H new ATOM 434 N LYS A 679 -2.024 5.755 10.572 1.00 0.00 N ATOM 435 CA LYS A 679 -2.561 6.135 11.869 1.00 0.00 C ATOM 436 C LYS A 679 -1.918 5.307 12.981 1.00 0.00 C ATOM 437 O LYS A 679 -1.920 5.705 14.146 1.00 0.00 O ATOM 438 CB LYS A 679 -4.078 5.946 11.882 1.00 0.00 C ATOM 439 CG LYS A 679 -4.729 6.320 13.204 1.00 0.00 C ATOM 440 CD LYS A 679 -6.111 6.919 12.995 1.00 0.00 C ATOM 441 CE LYS A 679 -6.624 7.588 14.259 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.639 8.636 13.959 1.00 0.00 N ATOM 0 H LYS A 679 -2.725 5.445 9.899 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.332 7.186 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.517 6.549 11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.308 4.905 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.807 5.435 13.836 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.098 7.034 13.732 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.074 7.648 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.805 6.137 12.688 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.061 6.836 14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.789 8.035 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.964 9.069 14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -7.215 9.367 13.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -8.448 8.205 13.467 1.00 0.00 H new ATOM 456 N ASN A 680 -1.364 4.152 12.610 1.00 0.00 N ATOM 457 CA ASN A 680 -0.711 3.263 13.566 1.00 0.00 C ATOM 458 C ASN A 680 0.318 4.018 14.403 1.00 0.00 C ATOM 459 O ASN A 680 0.508 3.725 15.584 1.00 0.00 O ATOM 460 CB ASN A 680 -0.033 2.103 12.831 1.00 0.00 C ATOM 461 CG ASN A 680 -1.027 1.061 12.356 1.00 0.00 C ATOM 462 OD1 ASN A 680 -2.146 1.388 11.962 1.00 0.00 O ATOM 463 ND2 ASN A 680 -0.621 -0.203 12.392 1.00 0.00 N ATOM 0 H ASN A 680 -1.356 3.811 11.649 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.475 2.868 14.235 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.519 2.492 11.975 1.00 0.00 H new ATOM 0 HB3 ASN A 680 0.694 1.633 13.493 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -1.246 -0.948 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 680 0.316 -0.428 12.726 1.00 0.00 H new ATOM 470 N LYS A 681 0.979 4.992 13.783 1.00 0.00 N ATOM 471 CA LYS A 681 1.988 5.788 14.471 1.00 0.00 C ATOM 472 C LYS A 681 1.839 7.267 14.129 1.00 0.00 C ATOM 473 O LYS A 681 2.828 7.994 14.029 1.00 0.00 O ATOM 474 CB LYS A 681 3.391 5.305 14.098 1.00 0.00 C ATOM 475 CG LYS A 681 4.497 5.978 14.895 1.00 0.00 C ATOM 476 CD LYS A 681 5.677 5.043 15.108 1.00 0.00 C ATOM 477 CE LYS A 681 5.627 4.385 16.477 1.00 0.00 C ATOM 478 NZ LYS A 681 5.923 5.351 17.569 1.00 0.00 N ATOM 0 H LYS A 681 0.833 5.248 12.806 1.00 0.00 H new ATOM 0 HA LYS A 681 1.843 5.665 15.544 1.00 0.00 H new ATOM 0 HB2 LYS A 681 3.448 4.227 14.251 1.00 0.00 H new ATOM 0 HB3 LYS A 681 3.558 5.485 13.036 1.00 0.00 H new ATOM 0 HG2 LYS A 681 4.831 6.874 14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 681 4.107 6.300 15.861 1.00 0.00 H new ATOM 0 HD2 LYS A 681 5.678 4.275 14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 681 6.608 5.601 15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 681 4.640 3.950 16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 681 6.345 3.566 16.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 6.179 4.831 18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 6.715 5.963 17.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.082 5.935 17.753 1.00 0.00 H new ATOM 492 N GLN A 682 0.598 7.705 13.949 1.00 0.00 N ATOM 493 CA GLN A 682 0.319 9.098 13.617 1.00 0.00 C ATOM 494 C GLN A 682 -0.751 9.674 14.539 1.00 0.00 C ATOM 495 O GLN A 682 -1.536 10.531 14.136 1.00 0.00 O ATOM 496 CB GLN A 682 -0.129 9.218 12.159 1.00 0.00 C ATOM 497 CG GLN A 682 1.024 9.340 11.176 1.00 0.00 C ATOM 498 CD GLN A 682 1.228 10.762 10.694 1.00 0.00 C ATOM 499 OE1 GLN A 682 0.926 11.091 9.546 1.00 0.00 O ATOM 500 NE2 GLN A 682 1.745 11.617 11.569 1.00 0.00 N ATOM 0 H GLN A 682 -0.231 7.116 14.027 1.00 0.00 H new ATOM 0 HA GLN A 682 1.237 9.668 13.755 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -0.727 8.345 11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.776 10.089 12.057 1.00 0.00 H new ATOM 0 HG2 GLN A 682 1.940 8.985 11.649 1.00 0.00 H new ATOM 0 HG3 GLN A 682 0.837 8.693 10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 682 1.981 11.303 12.510 1.00 0.00 H new ATOM 0 HE22 GLN A 682 1.906 12.588 11.300 1.00 0.00 H new ATOM 509 N ASN A 683 -0.776 9.195 15.779 1.00 0.00 N ATOM 510 CA ASN A 683 -1.751 9.662 16.758 1.00 0.00 C ATOM 511 C ASN A 683 -1.403 11.064 17.246 1.00 0.00 C ATOM 512 O ASN A 683 -2.255 11.966 17.107 1.00 0.00 O ATOM 513 CB ASN A 683 -1.814 8.698 17.944 1.00 0.00 C ATOM 514 CG ASN A 683 -2.853 7.611 17.751 1.00 0.00 C ATOM 515 OD1 ASN A 683 -2.838 6.892 16.751 1.00 0.00 O ATOM 516 ND2 ASN A 683 -3.762 7.482 18.710 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.282 11.248 17.763 1.00 0.00 O ATOM 0 H ASN A 683 -0.133 8.485 16.129 1.00 0.00 H new ATOM 0 HA ASN A 683 -2.727 9.697 16.274 1.00 0.00 H new ATOM 0 HB2 ASN A 683 -0.836 8.240 18.089 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -2.042 9.257 18.852 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -4.484 6.766 18.635 1.00 0.00 H new ATOM 0 HD22 ASN A 683 -3.738 8.099 19.522 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -9.384 -21.426 15.176 1.00 0.00 N ATOM 526 CA ARG B 405 -8.925 -20.057 14.824 1.00 0.00 C ATOM 527 C ARG B 405 -7.839 -20.096 13.752 1.00 0.00 C ATOM 528 O ARG B 405 -6.649 -20.147 14.064 1.00 0.00 O ATOM 529 CB ARG B 405 -8.392 -19.381 16.090 1.00 0.00 C ATOM 530 CG ARG B 405 -8.647 -17.883 16.133 1.00 0.00 C ATOM 531 CD ARG B 405 -8.119 -17.265 17.418 1.00 0.00 C ATOM 532 NE ARG B 405 -6.805 -16.653 17.231 1.00 0.00 N ATOM 533 CZ ARG B 405 -6.278 -15.759 18.065 1.00 0.00 C ATOM 534 NH1 ARG B 405 -6.949 -15.371 19.143 1.00 0.00 N ATOM 535 NH2 ARG B 405 -5.078 -15.253 17.821 1.00 0.00 N ATOM 0 HA ARG B 405 -9.765 -19.492 14.420 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -8.854 -19.845 16.962 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -7.319 -19.561 16.164 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -8.170 -17.407 15.276 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -9.717 -17.692 16.049 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -8.822 -16.512 17.774 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -8.055 -18.032 18.190 1.00 0.00 H new ATOM 0 HE ARG B 405 -6.260 -16.927 16.414 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -7.873 -15.758 19.335 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -6.541 -14.686 19.779 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -4.558 -15.548 16.994 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -4.674 -14.568 18.460 1.00 0.00 H new ATOM 550 N PRO B 406 -8.237 -20.073 12.468 1.00 0.00 N ATOM 551 CA PRO B 406 -7.292 -20.107 11.347 1.00 0.00 C ATOM 552 C PRO B 406 -6.522 -18.795 11.197 1.00 0.00 C ATOM 553 O PRO B 406 -7.076 -17.798 10.732 1.00 0.00 O ATOM 554 CB PRO B 406 -8.193 -20.337 10.133 1.00 0.00 C ATOM 555 CG PRO B 406 -9.512 -19.772 10.530 1.00 0.00 C ATOM 556 CD PRO B 406 -9.638 -20.013 12.010 1.00 0.00 C ATOM 0 HA PRO B 406 -6.528 -20.873 11.481 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -7.799 -19.839 9.247 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -8.272 -21.397 9.894 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -9.565 -18.707 10.302 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -10.323 -20.255 9.986 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -10.187 -19.211 12.502 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -10.170 -20.940 12.222 1.00 0.00 H new ATOM 564 N PRO B 407 -5.234 -18.771 11.590 1.00 0.00 N ATOM 565 CA PRO B 407 -4.401 -17.571 11.498 1.00 0.00 C ATOM 566 C PRO B 407 -4.583 -16.827 10.174 1.00 0.00 C ATOM 567 O PRO B 407 -4.936 -15.648 10.164 1.00 0.00 O ATOM 568 CB PRO B 407 -2.962 -18.100 11.630 1.00 0.00 C ATOM 569 CG PRO B 407 -3.066 -19.588 11.778 1.00 0.00 C ATOM 570 CD PRO B 407 -4.486 -19.897 12.160 1.00 0.00 C ATOM 0 HA PRO B 407 -4.666 -16.845 12.267 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -2.371 -17.838 10.753 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -2.464 -17.658 12.493 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -2.801 -20.087 10.846 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -2.375 -19.948 12.540 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -4.816 -20.851 11.748 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -4.609 -19.957 13.241 1.00 0.00 H new ATOM 578 N PRO B 408 -4.346 -17.501 9.033 1.00 0.00 N ATOM 579 CA PRO B 408 -4.490 -16.882 7.710 1.00 0.00 C ATOM 580 C PRO B 408 -5.944 -16.563 7.378 1.00 0.00 C ATOM 581 O PRO B 408 -6.616 -17.327 6.686 1.00 0.00 O ATOM 582 CB PRO B 408 -3.945 -17.946 6.755 1.00 0.00 C ATOM 583 CG PRO B 408 -4.113 -19.233 7.483 1.00 0.00 C ATOM 584 CD PRO B 408 -3.920 -18.910 8.939 1.00 0.00 C ATOM 0 HA PRO B 408 -3.966 -15.928 7.647 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -4.493 -17.950 5.813 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -2.898 -17.762 6.514 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -5.101 -19.657 7.304 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -3.384 -19.970 7.146 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -4.522 -19.556 9.578 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -2.882 -19.038 9.245 1.00 0.00 H new ATOM 592 N ALA B 409 -6.424 -15.428 7.876 1.00 0.00 N ATOM 593 CA ALA B 409 -7.798 -15.007 7.632 1.00 0.00 C ATOM 594 C ALA B 409 -7.932 -14.334 6.270 1.00 0.00 C ATOM 595 O ALA B 409 -6.938 -14.087 5.588 1.00 0.00 O ATOM 596 CB ALA B 409 -8.265 -14.069 8.735 1.00 0.00 C ATOM 0 H ALA B 409 -5.881 -14.784 8.451 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.430 -15.895 7.633 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -9.293 -13.762 8.541 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -8.215 -14.583 9.695 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -7.622 -13.189 8.761 1.00 0.00 H new ATOM 602 N HIS B 410 -9.168 -14.040 5.881 1.00 0.00 N ATOM 603 CA HIS B 410 -9.433 -13.395 4.600 1.00 0.00 C ATOM 604 C HIS B 410 -9.819 -11.933 4.796 1.00 0.00 C ATOM 605 O HIS B 410 -10.595 -11.376 4.020 1.00 0.00 O ATOM 606 CB HIS B 410 -10.547 -14.133 3.854 1.00 0.00 C ATOM 607 CG HIS B 410 -11.736 -14.443 4.709 1.00 0.00 C ATOM 608 ND1 HIS B 410 -12.477 -15.599 4.579 1.00 0.00 N ATOM 609 CD2 HIS B 410 -12.313 -13.740 5.714 1.00 0.00 C ATOM 610 CE1 HIS B 410 -13.458 -15.593 5.464 1.00 0.00 C ATOM 611 NE2 HIS B 410 -13.380 -14.478 6.164 1.00 0.00 N ATOM 0 H HIS B 410 -10.002 -14.238 6.434 1.00 0.00 H new ATOM 0 HA HIS B 410 -8.520 -13.434 4.007 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -10.868 -13.528 3.006 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -10.148 -15.063 3.450 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -11.993 -12.779 6.090 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -14.198 -16.369 5.592 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -14.011 -14.207 6.918 1.00 0.00 H new ATOM 620 N HIS B 411 -9.271 -11.316 5.839 1.00 0.00 N ATOM 621 CA HIS B 411 -9.558 -9.918 6.137 1.00 0.00 C ATOM 622 C HIS B 411 -8.720 -8.992 5.261 1.00 0.00 C ATOM 623 O HIS B 411 -9.247 -8.296 4.394 1.00 0.00 O ATOM 624 CB HIS B 411 -9.290 -9.624 7.613 1.00 0.00 C ATOM 625 CG HIS B 411 -10.266 -8.664 8.220 1.00 0.00 C ATOM 626 ND1 HIS B 411 -10.214 -7.302 8.008 1.00 0.00 N ATOM 627 CD2 HIS B 411 -11.327 -8.876 9.035 1.00 0.00 C ATOM 628 CE1 HIS B 411 -11.198 -6.718 8.668 1.00 0.00 C ATOM 629 NE2 HIS B 411 -11.888 -7.651 9.298 1.00 0.00 N ATOM 0 H HIS B 411 -8.626 -11.763 6.491 1.00 0.00 H new ATOM 0 HA HIS B 411 -10.611 -9.736 5.923 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -9.318 -10.559 8.172 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -8.283 -9.220 7.717 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -11.668 -9.830 9.408 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -11.403 -5.658 8.689 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -12.706 -7.488 9.885 1.00 0.00 H new ATOM 638 N ASN B 412 -7.412 -8.991 5.493 1.00 0.00 N ATOM 639 CA ASN B 412 -6.500 -8.151 4.726 1.00 0.00 C ATOM 640 C ASN B 412 -5.051 -8.576 4.949 1.00 0.00 C ATOM 641 O ASN B 412 -4.445 -9.221 4.093 1.00 0.00 O ATOM 642 CB ASN B 412 -6.679 -6.681 5.112 1.00 0.00 C ATOM 643 CG ASN B 412 -7.747 -5.993 4.284 1.00 0.00 C ATOM 644 OD1 ASN B 412 -7.685 -5.981 3.055 1.00 0.00 O ATOM 645 ND2 ASN B 412 -8.735 -5.414 4.957 1.00 0.00 N ATOM 0 H ASN B 412 -6.960 -9.563 6.206 1.00 0.00 H new ATOM 0 HA ASN B 412 -6.736 -8.272 3.669 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -6.942 -6.615 6.168 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.732 -6.157 4.986 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -9.482 -4.935 4.454 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -8.746 -5.448 5.976 1.00 0.00 H new ATOM 652 N MET B 413 -4.502 -8.209 6.102 1.00 0.00 N ATOM 653 CA MET B 413 -3.124 -8.551 6.436 1.00 0.00 C ATOM 654 C MET B 413 -2.156 -7.990 5.401 1.00 0.00 C ATOM 655 O MET B 413 -2.066 -8.495 4.282 1.00 0.00 O ATOM 656 CB MET B 413 -2.963 -10.070 6.531 1.00 0.00 C ATOM 657 CG MET B 413 -1.898 -10.508 7.523 1.00 0.00 C ATOM 658 SD MET B 413 -2.092 -12.226 8.035 1.00 0.00 S ATOM 659 CE MET B 413 -1.791 -13.077 6.488 1.00 0.00 C ATOM 0 H MET B 413 -4.990 -7.675 6.821 1.00 0.00 H new ATOM 0 HA MET B 413 -2.890 -8.105 7.403 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.918 -10.511 6.817 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.713 -10.463 5.545 1.00 0.00 H new ATOM 0 HG2 MET B 413 -0.913 -10.375 7.075 1.00 0.00 H new ATOM 0 HG3 MET B 413 -1.938 -9.864 8.402 1.00 0.00 H new ATOM 0 HE1 MET B 413 -1.805 -14.154 6.656 1.00 0.00 H new ATOM 0 HE2 MET B 413 -2.567 -12.812 5.770 1.00 0.00 H new ATOM 0 HE3 MET B 413 -0.817 -12.784 6.095 1.00 0.00 H new ATOM 669 N PHE B 414 -1.433 -6.941 5.781 1.00 0.00 N ATOM 670 CA PHE B 414 -0.471 -6.310 4.884 1.00 0.00 C ATOM 671 C PHE B 414 0.791 -7.157 4.758 1.00 0.00 C ATOM 672 O PHE B 414 1.323 -7.336 3.663 1.00 0.00 O ATOM 673 CB PHE B 414 -0.111 -4.911 5.389 1.00 0.00 C ATOM 674 CG PHE B 414 -0.991 -3.826 4.837 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.306 -3.787 3.488 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.503 -2.843 5.668 1.00 0.00 C ATOM 677 CE1 PHE B 414 -2.113 -2.789 2.979 1.00 0.00 C ATOM 678 CE2 PHE B 414 -2.311 -1.843 5.166 1.00 0.00 C ATOM 679 CZ PHE B 414 -2.617 -1.815 3.819 1.00 0.00 C ATOM 0 H PHE B 414 -1.495 -6.510 6.703 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.931 -6.226 3.900 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -0.174 -4.900 6.477 1.00 0.00 H new ATOM 0 HB3 PHE B 414 0.925 -4.695 5.127 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -0.916 -4.546 2.827 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -1.267 -2.859 6.722 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -2.350 -2.770 1.925 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -2.704 -1.083 5.825 1.00 0.00 H new ATOM 0 HZ PHE B 414 -3.249 -1.033 3.424 1.00 0.00 H new ATOM 689 N SER B 415 1.270 -7.673 5.887 1.00 0.00 N ATOM 690 CA SER B 415 2.473 -8.498 5.900 1.00 0.00 C ATOM 691 C SER B 415 3.663 -7.721 5.345 1.00 0.00 C ATOM 692 O SER B 415 3.568 -6.519 5.096 1.00 0.00 O ATOM 693 CB SER B 415 2.250 -9.772 5.083 1.00 0.00 C ATOM 694 OG SER B 415 1.160 -10.521 5.591 1.00 0.00 O ATOM 0 H SER B 415 0.844 -7.534 6.803 1.00 0.00 H new ATOM 0 HA SER B 415 2.690 -8.773 6.932 1.00 0.00 H new ATOM 0 HB2 SER B 415 2.062 -9.511 4.042 1.00 0.00 H new ATOM 0 HB3 SER B 415 3.153 -10.382 5.101 1.00 0.00 H new ATOM 0 HG SER B 415 1.038 -11.329 5.050 1.00 0.00 H new ATOM 700 N VAL B 416 4.785 -8.410 5.153 1.00 0.00 N ATOM 701 CA VAL B 416 5.986 -7.773 4.625 1.00 0.00 C ATOM 702 C VAL B 416 6.432 -8.422 3.314 1.00 0.00 C ATOM 703 O VAL B 416 7.583 -8.832 3.170 1.00 0.00 O ATOM 704 CB VAL B 416 7.145 -7.821 5.641 1.00 0.00 C ATOM 705 CG1 VAL B 416 8.281 -6.913 5.194 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.657 -7.428 7.027 1.00 0.00 C ATOM 0 H VAL B 416 4.887 -9.405 5.354 1.00 0.00 H new ATOM 0 HA VAL B 416 5.729 -6.731 4.434 1.00 0.00 H new ATOM 0 HB VAL B 416 7.521 -8.843 5.689 1.00 0.00 H new ATOM 0 HG11 VAL B 416 9.091 -6.958 5.922 1.00 0.00 H new ATOM 0 HG12 VAL B 416 8.648 -7.241 4.222 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.919 -5.888 5.118 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.489 -7.468 7.730 1.00 0.00 H new ATOM 0 HG22 VAL B 416 6.255 -6.415 6.998 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.877 -8.119 7.348 1.00 0.00 H new ATOM 716 N PRO B 417 5.517 -8.510 2.332 1.00 0.00 N ATOM 717 CA PRO B 417 5.810 -9.095 1.019 1.00 0.00 C ATOM 718 C PRO B 417 6.772 -8.225 0.218 1.00 0.00 C ATOM 719 O PRO B 417 6.811 -7.009 0.403 1.00 0.00 O ATOM 720 CB PRO B 417 4.441 -9.151 0.336 1.00 0.00 C ATOM 721 CG PRO B 417 3.646 -8.080 0.997 1.00 0.00 C ATOM 722 CD PRO B 417 4.124 -8.030 2.421 1.00 0.00 C ATOM 0 HA PRO B 417 6.293 -10.069 1.099 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.526 -8.977 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.974 -10.127 0.464 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.795 -7.121 0.501 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.580 -8.300 0.951 1.00 0.00 H new ATOM 0 HD2 PRO B 417 4.072 -7.020 2.827 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.521 -8.665 3.070 1.00 0.00 H new ATOM 730 N PRO B 418 7.572 -8.826 -0.681 1.00 0.00 N ATOM 731 CA PRO B 418 8.531 -8.067 -1.486 1.00 0.00 C ATOM 732 C PRO B 418 7.828 -6.991 -2.307 1.00 0.00 C ATOM 733 O PRO B 418 6.735 -7.214 -2.829 1.00 0.00 O ATOM 734 CB PRO B 418 9.150 -9.126 -2.405 1.00 0.00 C ATOM 735 CG PRO B 418 8.908 -10.427 -1.718 1.00 0.00 C ATOM 736 CD PRO B 418 7.612 -10.268 -0.973 1.00 0.00 C ATOM 0 HA PRO B 418 9.269 -7.545 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.688 -9.110 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.216 -8.949 -2.549 1.00 0.00 H new ATOM 0 HG2 PRO B 418 8.846 -11.243 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.724 -10.665 -1.035 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.759 -10.582 -1.575 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.595 -10.865 -0.061 1.00 0.00 H new ATOM 744 N PRO B 419 8.427 -5.791 -2.403 1.00 0.00 N ATOM 745 CA PRO B 419 7.825 -4.671 -3.133 1.00 0.00 C ATOM 746 C PRO B 419 7.810 -4.854 -4.651 1.00 0.00 C ATOM 747 O PRO B 419 8.789 -5.305 -5.244 1.00 0.00 O ATOM 748 CB PRO B 419 8.722 -3.490 -2.764 1.00 0.00 C ATOM 749 CG PRO B 419 10.033 -4.098 -2.405 1.00 0.00 C ATOM 750 CD PRO B 419 9.713 -5.425 -1.781 1.00 0.00 C ATOM 0 HA PRO B 419 6.775 -4.553 -2.864 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.824 -2.796 -3.599 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.307 -2.925 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.661 -4.222 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.582 -3.462 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.486 -6.165 -1.990 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.629 -5.350 -0.697 1.00 0.00 H new ATOM 758 N PRO B 420 6.688 -4.480 -5.298 1.00 0.00 N ATOM 759 CA PRO B 420 6.537 -4.577 -6.751 1.00 0.00 C ATOM 760 C PRO B 420 7.293 -3.481 -7.507 1.00 0.00 C ATOM 761 O PRO B 420 8.087 -3.773 -8.401 1.00 0.00 O ATOM 762 CB PRO B 420 5.031 -4.432 -6.960 1.00 0.00 C ATOM 763 CG PRO B 420 4.563 -3.611 -5.808 1.00 0.00 C ATOM 764 CD PRO B 420 5.479 -3.933 -4.655 1.00 0.00 C ATOM 0 HA PRO B 420 6.951 -5.509 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.809 -3.944 -7.909 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.539 -5.404 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.600 -2.548 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.528 -3.846 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.708 -3.044 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.027 -4.656 -3.976 1.00 0.00 H new ATOM 772 N ILE B 421 7.033 -2.215 -7.158 1.00 0.00 N ATOM 773 CA ILE B 421 7.687 -1.093 -7.831 1.00 0.00 C ATOM 774 C ILE B 421 8.785 -0.461 -6.970 1.00 0.00 C ATOM 775 O ILE B 421 9.272 -1.077 -6.021 1.00 0.00 O ATOM 776 CB ILE B 421 6.661 -0.016 -8.299 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.363 1.022 -7.190 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.381 -0.686 -8.787 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.889 1.219 -6.872 1.00 0.00 C ATOM 0 H ILE B 421 6.381 -1.946 -6.421 1.00 0.00 H new ATOM 0 HA ILE B 421 8.165 -1.507 -8.719 1.00 0.00 H new ATOM 0 HB ILE B 421 7.107 0.532 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.878 0.716 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.786 1.981 -7.488 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.672 0.076 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.612 -1.346 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.943 -1.268 -7.976 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.783 1.964 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.366 1.559 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.459 0.275 -6.538 1.00 0.00 H new ATOM 791 N LEU B 422 9.176 0.763 -7.311 1.00 0.00 N ATOM 792 CA LEU B 422 10.217 1.467 -6.570 1.00 0.00 C ATOM 793 C LEU B 422 10.424 2.867 -7.135 1.00 0.00 C ATOM 794 O LEU B 422 11.549 3.362 -7.203 1.00 0.00 O ATOM 795 CB LEU B 422 11.530 0.683 -6.623 1.00 0.00 C ATOM 796 CG LEU B 422 11.895 0.123 -7.999 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.685 1.147 -8.798 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.686 -1.169 -7.854 1.00 0.00 C ATOM 0 H LEU B 422 8.788 1.288 -8.095 1.00 0.00 H new ATOM 0 HA LEU B 422 9.898 1.554 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.337 1.333 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.471 -0.144 -5.915 1.00 0.00 H new ATOM 0 HG LEU B 422 10.974 -0.096 -8.539 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.936 0.732 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU B 422 12.085 2.047 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.601 1.397 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU B 422 12.938 -1.554 -8.842 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.602 -0.974 -7.296 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.086 -1.905 -7.320 1.00 0.00 H new ATOM 810 N GLY B 423 9.328 3.501 -7.542 1.00 0.00 N ATOM 811 CA GLY B 423 9.406 4.836 -8.099 1.00 0.00 C ATOM 812 C GLY B 423 8.817 5.886 -7.177 1.00 0.00 C ATOM 813 O GLY B 423 8.816 5.721 -5.958 1.00 0.00 O ATOM 0 H GLY B 423 8.386 3.111 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.448 5.080 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.880 4.859 -9.053 1.00 0.00 H new ATOM 817 N ARG B 424 8.312 6.967 -7.763 1.00 0.00 N ATOM 818 CA ARG B 424 7.717 8.048 -6.986 1.00 0.00 C ATOM 819 C ARG B 424 6.239 7.777 -6.720 1.00 0.00 C ATOM 820 O ARG B 424 5.739 6.685 -6.993 1.00 0.00 O ATOM 821 CB ARG B 424 7.878 9.381 -7.721 1.00 0.00 C ATOM 822 CG ARG B 424 9.294 9.641 -8.206 1.00 0.00 C ATOM 823 CD ARG B 424 9.302 10.380 -9.534 1.00 0.00 C ATOM 824 NE ARG B 424 8.542 11.627 -9.471 1.00 0.00 N ATOM 825 CZ ARG B 424 8.455 12.494 -10.477 1.00 0.00 C ATOM 826 NH1 ARG B 424 9.081 12.255 -11.624 1.00 0.00 N ATOM 827 NH2 ARG B 424 7.743 13.603 -10.337 1.00 0.00 N ATOM 0 H ARG B 424 8.303 7.117 -8.772 1.00 0.00 H new ATOM 0 HA ARG B 424 8.236 8.103 -6.029 1.00 0.00 H new ATOM 0 HB2 ARG B 424 7.201 9.399 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG B 424 7.576 10.191 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG B 424 9.833 10.225 -7.460 1.00 0.00 H new ATOM 0 HG3 ARG B 424 9.823 8.694 -8.313 1.00 0.00 H new ATOM 0 HD2 ARG B 424 10.331 10.596 -9.822 1.00 0.00 H new ATOM 0 HD3 ARG B 424 8.882 9.738 -10.309 1.00 0.00 H new ATOM 0 HE ARG B 424 8.049 11.846 -8.605 1.00 0.00 H new ATOM 0 HH11 ARG B 424 9.632 11.404 -11.737 1.00 0.00 H new ATOM 0 HH12 ARG B 424 9.011 12.923 -12.392 1.00 0.00 H new ATOM 0 HH21 ARG B 424 7.261 13.792 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG B 424 7.677 14.267 -11.108 1.00 0.00 H new ATOM 841 N GLY B 425 5.545 8.777 -6.186 1.00 0.00 N ATOM 842 CA GLY B 425 4.133 8.626 -5.892 1.00 0.00 C ATOM 843 C GLY B 425 3.290 8.497 -7.145 1.00 0.00 C ATOM 844 O GLY B 425 2.338 7.689 -7.141 1.00 0.00 O ATOM 845 OXT GLY B 425 3.581 9.206 -8.131 1.00 0.00 O ATOM 0 H GLY B 425 5.936 9.689 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY B 425 3.987 7.744 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY B 425 3.791 9.485 -5.315 1.00 0.00 H new TER 849 GLY B 425