USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 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 -81:sc= -4.76! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot 180:sc= -6.43! USER MOD Single : A 662 TYR OH : rot 30:sc= -0.897 USER MOD Single : A 664 SER OG : rot -22:sc= 0.998 USER MOD Single : A 667 LYS NZ :NH3+ 144:sc= -0.313 (180deg=-1.58!) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 70:sc= -1.03! USER MOD Single : A 679 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.158) USER MOD Single : A 680 ASN : amide:sc= 0.531 K(o=0.53,f=-0.44) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : B 410 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.18) USER MOD Single : B 411 HIS : no HD1:sc= -1.95 K(o=-1.9,f=-0.48) USER MOD Single : B 412 ASN : amide:sc= -0.0498 K(o=-0.05,f=-1.9) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 6.240 1.750 16.041 1.00 0.00 N ATOM 2 CA GLY A 651 7.296 2.493 15.303 1.00 0.00 C ATOM 3 C GLY A 651 7.610 1.871 13.956 1.00 0.00 C ATOM 4 O GLY A 651 8.766 1.572 13.656 1.00 0.00 O ATOM 0 HA2 GLY A 651 6.976 3.525 15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 651 8.203 2.523 15.906 1.00 0.00 H new ATOM 9 N ALA A 652 6.577 1.673 13.143 1.00 0.00 N ATOM 10 CA ALA A 652 6.747 1.082 11.821 1.00 0.00 C ATOM 11 C ALA A 652 6.590 2.130 10.726 1.00 0.00 C ATOM 12 O ALA A 652 7.561 2.510 10.073 1.00 0.00 O ATOM 13 CB ALA A 652 5.751 -0.051 11.617 1.00 0.00 C ATOM 0 H ALA A 652 5.614 1.913 13.377 1.00 0.00 H new ATOM 0 HA ALA A 652 7.758 0.679 11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.889 -0.483 10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.913 -0.819 12.373 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.736 0.336 11.705 1.00 0.00 H new ATOM 19 N ASP A 653 5.359 2.590 10.527 1.00 0.00 N ATOM 20 CA ASP A 653 5.071 3.592 9.505 1.00 0.00 C ATOM 21 C ASP A 653 5.594 3.143 8.147 1.00 0.00 C ATOM 22 O ASP A 653 6.698 3.505 7.741 1.00 0.00 O ATOM 23 CB ASP A 653 5.684 4.939 9.888 1.00 0.00 C ATOM 24 CG ASP A 653 4.937 6.109 9.278 1.00 0.00 C ATOM 25 OD1 ASP A 653 5.228 6.457 8.114 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.061 6.677 9.964 1.00 0.00 O ATOM 0 H ASP A 653 4.544 2.285 11.060 1.00 0.00 H new ATOM 0 HA ASP A 653 3.989 3.707 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.686 5.039 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.724 4.967 9.564 1.00 0.00 H new ATOM 31 N TYR A 654 4.792 2.346 7.458 1.00 0.00 N ATOM 32 CA TYR A 654 5.165 1.830 6.144 1.00 0.00 C ATOM 33 C TYR A 654 4.012 1.907 5.145 1.00 0.00 C ATOM 34 O TYR A 654 4.207 1.670 3.954 1.00 0.00 O ATOM 35 CB TYR A 654 5.668 0.381 6.253 1.00 0.00 C ATOM 36 CG TYR A 654 4.763 -0.573 7.023 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.543 -0.165 7.570 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.142 -1.901 7.209 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.745 -1.042 8.268 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.341 -2.784 7.907 1.00 0.00 C ATOM 41 CZ TYR A 654 3.144 -2.350 8.436 1.00 0.00 C ATOM 42 OH TYR A 654 2.346 -3.226 9.134 1.00 0.00 O ATOM 0 H TYR A 654 3.876 2.040 7.785 1.00 0.00 H new ATOM 0 HA TYR A 654 5.969 2.464 5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.809 -0.013 5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.647 0.390 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.221 0.858 7.442 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.080 -2.247 6.800 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.807 -0.705 8.684 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.651 -3.810 8.038 1.00 0.00 H new ATOM 0 HH TYR A 654 2.773 -4.108 9.159 1.00 0.00 H new ATOM 52 N SER A 655 2.819 2.250 5.622 1.00 0.00 N ATOM 53 CA SER A 655 1.652 2.362 4.756 1.00 0.00 C ATOM 54 C SER A 655 1.914 3.328 3.605 1.00 0.00 C ATOM 55 O SER A 655 1.337 3.200 2.531 1.00 0.00 O ATOM 56 CB SER A 655 0.444 2.824 5.566 1.00 0.00 C ATOM 57 OG SER A 655 0.848 3.530 6.725 1.00 0.00 O ATOM 0 H SER A 655 2.636 2.455 6.604 1.00 0.00 H new ATOM 0 HA SER A 655 1.445 1.379 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.189 3.462 4.949 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.157 1.961 5.853 1.00 0.00 H new ATOM 0 HG SER A 655 1.095 2.892 7.427 1.00 0.00 H new ATOM 63 N ALA A 656 2.792 4.296 3.823 1.00 0.00 N ATOM 64 CA ALA A 656 3.104 5.258 2.779 1.00 0.00 C ATOM 65 C ALA A 656 3.717 4.567 1.583 1.00 0.00 C ATOM 66 O ALA A 656 3.133 4.536 0.500 1.00 0.00 O ATOM 67 CB ALA A 656 4.043 6.336 3.293 1.00 0.00 C ATOM 0 H ALA A 656 3.294 4.435 4.700 1.00 0.00 H new ATOM 0 HA ALA A 656 2.171 5.730 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 656 4.260 7.042 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.573 6.863 4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.971 5.878 3.634 1.00 0.00 H new ATOM 73 N GLN A 657 4.895 4.010 1.785 1.00 0.00 N ATOM 74 CA GLN A 657 5.578 3.315 0.715 1.00 0.00 C ATOM 75 C GLN A 657 4.865 2.006 0.402 1.00 0.00 C ATOM 76 O GLN A 657 5.013 1.449 -0.683 1.00 0.00 O ATOM 77 CB GLN A 657 7.039 3.050 1.085 1.00 0.00 C ATOM 78 CG GLN A 657 7.951 2.885 -0.119 1.00 0.00 C ATOM 79 CD GLN A 657 9.415 2.808 0.266 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.971 3.747 0.837 1.00 0.00 O ATOM 81 NE2 GLN A 657 10.051 1.684 -0.045 1.00 0.00 N ATOM 0 H GLN A 657 5.395 4.025 2.674 1.00 0.00 H new ATOM 0 HA GLN A 657 5.561 3.947 -0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.405 3.874 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.093 2.150 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.673 1.980 -0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.802 3.722 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.553 0.930 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 657 11.038 1.575 0.189 1.00 0.00 H new ATOM 90 N TRP A 658 4.082 1.518 1.361 1.00 0.00 N ATOM 91 CA TRP A 658 3.343 0.279 1.176 1.00 0.00 C ATOM 92 C TRP A 658 2.096 0.534 0.351 1.00 0.00 C ATOM 93 O TRP A 658 1.700 -0.301 -0.462 1.00 0.00 O ATOM 94 CB TRP A 658 2.968 -0.340 2.521 1.00 0.00 C ATOM 95 CG TRP A 658 4.053 -1.178 3.138 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.917 -2.012 4.209 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.430 -1.276 2.727 1.00 0.00 C ATOM 98 NE1 TRP A 658 5.114 -2.621 4.490 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.056 -2.187 3.599 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.196 -0.690 1.713 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.402 -2.522 3.487 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.533 -1.024 1.606 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.123 -1.933 2.489 1.00 0.00 C ATOM 0 H TRP A 658 3.945 1.962 2.269 1.00 0.00 H new ATOM 0 HA TRP A 658 3.984 -0.425 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.702 0.458 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.079 -0.957 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 658 3.000 -2.170 4.757 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.275 -3.290 5.243 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.749 0.012 1.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.861 -3.225 4.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.132 -0.575 0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.170 -2.174 2.379 1.00 0.00 H new ATOM 114 N ALA A 659 1.489 1.700 0.540 1.00 0.00 N ATOM 115 CA ALA A 659 0.307 2.044 -0.224 1.00 0.00 C ATOM 116 C ALA A 659 0.712 2.305 -1.667 1.00 0.00 C ATOM 117 O ALA A 659 -0.024 1.981 -2.598 1.00 0.00 O ATOM 118 CB ALA A 659 -0.401 3.254 0.379 1.00 0.00 C ATOM 0 H ALA A 659 1.793 2.410 1.206 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.399 1.214 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.285 3.491 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.700 3.028 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.276 4.109 0.379 1.00 0.00 H new ATOM 124 N GLU A 660 1.912 2.868 -1.845 1.00 0.00 N ATOM 125 CA GLU A 660 2.433 3.151 -3.178 1.00 0.00 C ATOM 126 C GLU A 660 2.336 1.909 -4.057 1.00 0.00 C ATOM 127 O GLU A 660 2.140 2.005 -5.269 1.00 0.00 O ATOM 128 CB GLU A 660 3.882 3.664 -3.109 1.00 0.00 C ATOM 129 CG GLU A 660 4.953 2.579 -3.108 1.00 0.00 C ATOM 130 CD GLU A 660 5.752 2.541 -4.397 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.800 3.574 -5.097 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.330 1.478 -4.705 1.00 0.00 O ATOM 0 H GLU A 660 2.535 3.134 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 660 1.825 3.939 -3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.058 4.325 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.995 4.266 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.631 2.745 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.481 1.609 -2.949 1.00 0.00 H new ATOM 139 N TYR A 661 2.454 0.742 -3.429 1.00 0.00 N ATOM 140 CA TYR A 661 2.358 -0.521 -4.150 1.00 0.00 C ATOM 141 C TYR A 661 0.948 -0.716 -4.658 1.00 0.00 C ATOM 142 O TYR A 661 0.703 -0.803 -5.860 1.00 0.00 O ATOM 143 CB TYR A 661 2.719 -1.687 -3.236 1.00 0.00 C ATOM 144 CG TYR A 661 4.194 -1.818 -3.001 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.056 -2.021 -4.062 1.00 0.00 C ATOM 146 CD2 TYR A 661 4.723 -1.726 -1.723 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.411 -2.129 -3.866 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.080 -1.835 -1.508 1.00 0.00 C ATOM 149 CZ TYR A 661 6.921 -2.035 -2.579 1.00 0.00 C ATOM 150 OH TYR A 661 8.272 -2.137 -2.360 1.00 0.00 O ATOM 0 H TYR A 661 2.616 0.646 -2.426 1.00 0.00 H new ATOM 0 HA TYR A 661 3.055 -0.491 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.215 -1.559 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.344 -2.612 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.657 -2.096 -5.063 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.062 -1.567 -0.884 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.073 -2.285 -4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.480 -1.764 -0.507 1.00 0.00 H new ATOM 0 HH TYR A 661 8.456 -2.048 -1.402 1.00 0.00 H new ATOM 160 N TYR A 662 0.024 -0.770 -3.716 1.00 0.00 N ATOM 161 CA TYR A 662 -1.381 -0.946 -4.021 1.00 0.00 C ATOM 162 C TYR A 662 -1.891 0.192 -4.894 1.00 0.00 C ATOM 163 O TYR A 662 -2.957 0.087 -5.499 1.00 0.00 O ATOM 164 CB TYR A 662 -2.161 -1.043 -2.717 1.00 0.00 C ATOM 165 CG TYR A 662 -1.544 -2.029 -1.762 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.669 -3.397 -1.957 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.812 -1.584 -0.678 1.00 0.00 C ATOM 168 CE1 TYR A 662 -1.081 -4.295 -1.090 1.00 0.00 C ATOM 169 CE2 TYR A 662 -0.223 -2.469 0.198 1.00 0.00 C ATOM 170 CZ TYR A 662 -0.359 -3.826 -0.010 1.00 0.00 C ATOM 171 OH TYR A 662 0.231 -4.716 0.858 1.00 0.00 O ATOM 0 H TYR A 662 0.228 -0.693 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.521 -1.868 -4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.204 -0.061 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.188 -1.339 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.235 -3.765 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.699 -0.522 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -1.185 -5.357 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.342 -2.103 1.043 1.00 0.00 H new ATOM 0 HH TYR A 662 0.468 -5.535 0.375 1.00 0.00 H new ATOM 181 N ARG A 663 -1.116 1.272 -4.977 1.00 0.00 N ATOM 182 CA ARG A 663 -1.496 2.403 -5.804 1.00 0.00 C ATOM 183 C ARG A 663 -1.162 2.137 -7.265 1.00 0.00 C ATOM 184 O ARG A 663 -1.495 2.936 -8.141 1.00 0.00 O ATOM 185 CB ARG A 663 -0.796 3.690 -5.343 1.00 0.00 C ATOM 186 CG ARG A 663 -1.295 4.255 -4.018 1.00 0.00 C ATOM 187 CD ARG A 663 -2.807 4.195 -3.903 1.00 0.00 C ATOM 188 NE ARG A 663 -3.462 5.191 -4.747 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.622 6.467 -4.403 1.00 0.00 C ATOM 190 NH1 ARG A 663 -3.175 6.908 -3.233 1.00 0.00 N ATOM 191 NH2 ARG A 663 -4.231 7.305 -5.230 1.00 0.00 N ATOM 0 H ARG A 663 -0.230 1.382 -4.484 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.573 2.536 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 663 0.273 3.494 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.920 4.450 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.847 3.697 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.965 5.289 -3.919 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.152 3.200 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -3.098 4.353 -2.864 1.00 0.00 H new ATOM 0 HE ARG A 663 -3.818 4.891 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.706 6.268 -2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.301 7.887 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -4.577 6.972 -6.130 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -4.354 8.283 -4.966 1.00 0.00 H new ATOM 205 N SER A 664 -0.503 1.015 -7.527 1.00 0.00 N ATOM 206 CA SER A 664 -0.135 0.658 -8.884 1.00 0.00 C ATOM 207 C SER A 664 0.185 -0.825 -9.008 1.00 0.00 C ATOM 208 O SER A 664 0.844 -1.251 -9.956 1.00 0.00 O ATOM 209 CB SER A 664 1.043 1.501 -9.341 1.00 0.00 C ATOM 210 OG SER A 664 1.531 1.066 -10.598 1.00 0.00 O ATOM 0 H SER A 664 -0.215 0.341 -6.818 1.00 0.00 H new ATOM 0 HA SER A 664 -0.990 0.860 -9.530 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.741 2.546 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.841 1.447 -8.600 1.00 0.00 H new ATOM 0 HG SER A 664 1.262 0.136 -10.749 1.00 0.00 H new ATOM 216 N VAL A 665 -0.314 -1.612 -8.061 1.00 0.00 N ATOM 217 CA VAL A 665 -0.111 -3.049 -8.088 1.00 0.00 C ATOM 218 C VAL A 665 -1.417 -3.743 -8.456 1.00 0.00 C ATOM 219 O VAL A 665 -1.425 -4.914 -8.835 1.00 0.00 O ATOM 220 CB VAL A 665 0.428 -3.592 -6.740 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.696 -3.803 -5.732 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.202 -4.884 -6.958 1.00 0.00 C ATOM 0 H VAL A 665 -0.861 -1.276 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 665 0.646 -3.264 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 665 1.105 -2.844 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 665 -0.281 -4.184 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -1.199 -2.855 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -1.412 -4.521 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 665 1.573 -5.251 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 665 0.545 -5.631 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.043 -4.696 -7.626 1.00 0.00 H new ATOM 232 N GLY A 666 -2.526 -3.001 -8.358 1.00 0.00 N ATOM 233 CA GLY A 666 -3.817 -3.564 -8.705 1.00 0.00 C ATOM 234 C GLY A 666 -4.827 -3.476 -7.579 1.00 0.00 C ATOM 235 O GLY A 666 -5.568 -4.427 -7.331 1.00 0.00 O ATOM 0 H GLY A 666 -2.548 -2.030 -8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -4.210 -3.044 -9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.687 -4.609 -8.987 1.00 0.00 H new ATOM 239 N LYS A 667 -4.869 -2.334 -6.899 1.00 0.00 N ATOM 240 CA LYS A 667 -5.811 -2.145 -5.802 1.00 0.00 C ATOM 241 C LYS A 667 -5.661 -0.767 -5.160 1.00 0.00 C ATOM 242 O LYS A 667 -5.603 -0.650 -3.938 1.00 0.00 O ATOM 243 CB LYS A 667 -5.632 -3.237 -4.744 1.00 0.00 C ATOM 244 CG LYS A 667 -4.180 -3.558 -4.433 1.00 0.00 C ATOM 245 CD LYS A 667 -3.717 -4.816 -5.152 1.00 0.00 C ATOM 246 CE LYS A 667 -2.950 -5.744 -4.223 1.00 0.00 C ATOM 247 NZ LYS A 667 -3.675 -5.969 -2.942 1.00 0.00 N ATOM 0 H LYS A 667 -4.267 -1.532 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.815 -2.214 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.130 -2.925 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -6.130 -4.145 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.550 -2.718 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.058 -3.687 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -4.581 -5.341 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -3.084 -4.541 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -2.785 -6.700 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -1.968 -5.319 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.527 -6.949 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -3.314 -5.314 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.691 -5.801 -3.084 1.00 0.00 H new ATOM 261 N ILE A 668 -5.619 0.275 -5.988 1.00 0.00 N ATOM 262 CA ILE A 668 -5.500 1.646 -5.486 1.00 0.00 C ATOM 263 C ILE A 668 -6.541 1.899 -4.413 1.00 0.00 C ATOM 264 O ILE A 668 -6.227 2.326 -3.303 1.00 0.00 O ATOM 265 CB ILE A 668 -5.692 2.678 -6.616 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.416 2.788 -7.435 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.083 4.043 -6.058 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.044 1.505 -8.141 1.00 0.00 C ATOM 0 H ILE A 668 -5.665 0.199 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.498 1.758 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.504 2.336 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.535 3.580 -8.175 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.597 3.084 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.211 4.749 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.018 3.956 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.299 4.401 -5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.124 1.654 -8.706 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.893 0.715 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.846 1.219 -8.822 1.00 0.00 H new ATOM 280 N GLU A 669 -7.783 1.619 -4.764 1.00 0.00 N ATOM 281 CA GLU A 669 -8.898 1.792 -3.855 1.00 0.00 C ATOM 282 C GLU A 669 -8.587 1.152 -2.511 1.00 0.00 C ATOM 283 O GLU A 669 -8.767 1.768 -1.460 1.00 0.00 O ATOM 284 CB GLU A 669 -10.141 1.175 -4.482 1.00 0.00 C ATOM 285 CG GLU A 669 -11.405 1.994 -4.278 1.00 0.00 C ATOM 286 CD GLU A 669 -11.721 2.883 -5.464 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.618 2.402 -6.611 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.072 4.063 -5.245 1.00 0.00 O ATOM 0 H GLU A 669 -8.045 1.266 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.075 2.853 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.971 1.047 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.292 0.181 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.244 1.322 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.294 2.610 -3.386 1.00 0.00 H new ATOM 295 N GLU A 670 -8.084 -0.074 -2.554 1.00 0.00 N ATOM 296 CA GLU A 670 -7.706 -0.776 -1.340 1.00 0.00 C ATOM 297 C GLU A 670 -6.429 -0.169 -0.788 1.00 0.00 C ATOM 298 O GLU A 670 -6.178 -0.223 0.415 1.00 0.00 O ATOM 299 CB GLU A 670 -7.514 -2.269 -1.612 1.00 0.00 C ATOM 300 CG GLU A 670 -7.820 -3.150 -0.412 1.00 0.00 C ATOM 301 CD GLU A 670 -6.865 -4.322 -0.291 1.00 0.00 C ATOM 302 OE1 GLU A 670 -5.689 -4.095 0.066 1.00 0.00 O ATOM 303 OE2 GLU A 670 -7.292 -5.466 -0.554 1.00 0.00 O ATOM 0 H GLU A 670 -7.929 -0.600 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.504 -0.671 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -8.156 -2.564 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.485 -2.443 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.770 -2.550 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.841 -3.524 -0.491 1.00 0.00 H new ATOM 310 N ALA A 671 -5.631 0.445 -1.667 1.00 0.00 N ATOM 311 CA ALA A 671 -4.410 1.086 -1.228 1.00 0.00 C ATOM 312 C ALA A 671 -4.752 2.184 -0.244 1.00 0.00 C ATOM 313 O ALA A 671 -4.048 2.393 0.743 1.00 0.00 O ATOM 314 CB ALA A 671 -3.639 1.644 -2.400 1.00 0.00 C ATOM 0 H ALA A 671 -5.813 0.506 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.776 0.346 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.726 2.120 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.382 0.836 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.251 2.380 -2.921 1.00 0.00 H new ATOM 320 N GLU A 672 -5.873 2.861 -0.499 1.00 0.00 N ATOM 321 CA GLU A 672 -6.332 3.907 0.398 1.00 0.00 C ATOM 322 C GLU A 672 -6.453 3.333 1.804 1.00 0.00 C ATOM 323 O GLU A 672 -6.353 4.053 2.798 1.00 0.00 O ATOM 324 CB GLU A 672 -7.677 4.465 -0.073 1.00 0.00 C ATOM 325 CG GLU A 672 -7.698 4.834 -1.549 1.00 0.00 C ATOM 326 CD GLU A 672 -7.740 6.333 -1.776 1.00 0.00 C ATOM 327 OE1 GLU A 672 -6.666 6.969 -1.740 1.00 0.00 O ATOM 328 OE2 GLU A 672 -8.848 6.872 -1.989 1.00 0.00 O ATOM 0 H GLU A 672 -6.469 2.702 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.613 4.727 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.455 3.727 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -7.922 5.348 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.814 4.421 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.566 4.374 -2.022 1.00 0.00 H new ATOM 335 N ALA A 673 -6.640 2.013 1.872 1.00 0.00 N ATOM 336 CA ALA A 673 -6.743 1.317 3.141 1.00 0.00 C ATOM 337 C ALA A 673 -5.393 1.321 3.844 1.00 0.00 C ATOM 338 O ALA A 673 -5.318 1.449 5.066 1.00 0.00 O ATOM 339 CB ALA A 673 -7.234 -0.106 2.932 1.00 0.00 C ATOM 0 H ALA A 673 -6.723 1.409 1.054 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.468 1.835 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.305 -0.612 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.216 -0.086 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.534 -0.642 2.291 1.00 0.00 H new ATOM 345 N ILE A 674 -4.323 1.204 3.057 1.00 0.00 N ATOM 346 CA ILE A 674 -2.974 1.219 3.608 1.00 0.00 C ATOM 347 C ILE A 674 -2.722 2.552 4.292 1.00 0.00 C ATOM 348 O ILE A 674 -2.227 2.609 5.412 1.00 0.00 O ATOM 349 CB ILE A 674 -1.887 1.021 2.524 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.746 -0.436 2.118 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.551 1.522 3.025 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.883 -0.935 1.278 1.00 0.00 C ATOM 0 H ILE A 674 -4.366 1.099 2.043 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.909 0.390 4.313 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.200 1.592 1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.814 -0.563 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.671 -1.050 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.205 1.377 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.627 2.583 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.267 0.968 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.716 -1.982 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.815 -0.840 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.945 -0.346 0.363 1.00 0.00 H new ATOM 364 N GLU A 675 -3.060 3.627 3.596 1.00 0.00 N ATOM 365 CA GLU A 675 -2.865 4.965 4.125 1.00 0.00 C ATOM 366 C GLU A 675 -3.408 5.071 5.548 1.00 0.00 C ATOM 367 O GLU A 675 -2.946 5.896 6.336 1.00 0.00 O ATOM 368 CB GLU A 675 -3.525 5.992 3.205 1.00 0.00 C ATOM 369 CG GLU A 675 -2.538 6.960 2.574 1.00 0.00 C ATOM 370 CD GLU A 675 -1.909 7.898 3.587 1.00 0.00 C ATOM 371 OE1 GLU A 675 -2.021 7.623 4.800 1.00 0.00 O ATOM 372 OE2 GLU A 675 -1.305 8.908 3.166 1.00 0.00 O ATOM 0 H GLU A 675 -3.471 3.597 2.663 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.796 5.174 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.064 5.468 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.263 6.557 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -1.753 6.396 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -3.048 7.546 1.810 1.00 0.00 H new ATOM 379 N LYS A 676 -4.379 4.223 5.882 1.00 0.00 N ATOM 380 CA LYS A 676 -4.952 4.222 7.222 1.00 0.00 C ATOM 381 C LYS A 676 -3.968 3.634 8.231 1.00 0.00 C ATOM 382 O LYS A 676 -4.006 3.977 9.413 1.00 0.00 O ATOM 383 CB LYS A 676 -6.267 3.436 7.240 1.00 0.00 C ATOM 384 CG LYS A 676 -7.423 4.198 7.868 1.00 0.00 C ATOM 385 CD LYS A 676 -8.263 4.900 6.815 1.00 0.00 C ATOM 386 CE LYS A 676 -9.130 3.916 6.046 1.00 0.00 C ATOM 387 NZ LYS A 676 -9.743 4.539 4.841 1.00 0.00 N ATOM 0 H LYS A 676 -4.781 3.534 5.247 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.158 5.254 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.533 3.166 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.117 2.505 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -8.049 3.509 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.036 4.932 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.896 5.648 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -7.610 5.430 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -8.527 3.059 5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.917 3.538 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -10.326 3.835 4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.339 5.341 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -8.993 4.877 4.205 1.00 0.00 H new ATOM 401 N THR A 677 -3.077 2.764 7.761 1.00 0.00 N ATOM 402 CA THR A 677 -2.081 2.160 8.638 1.00 0.00 C ATOM 403 C THR A 677 -1.139 3.231 9.167 1.00 0.00 C ATOM 404 O THR A 677 -0.608 3.113 10.270 1.00 0.00 O ATOM 405 CB THR A 677 -1.282 1.065 7.916 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.890 0.714 6.686 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.144 -0.203 8.731 1.00 0.00 C ATOM 0 H THR A 677 -3.025 2.465 6.787 1.00 0.00 H new ATOM 0 HA THR A 677 -2.606 1.693 9.471 1.00 0.00 H new ATOM 0 HB THR A 677 -0.293 1.494 7.755 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.788 1.451 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.570 -0.938 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.629 0.019 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.133 -0.605 8.948 1.00 0.00 H new ATOM 415 N LEU A 678 -0.945 4.290 8.380 1.00 0.00 N ATOM 416 CA LEU A 678 -0.077 5.390 8.786 1.00 0.00 C ATOM 417 C LEU A 678 -0.468 5.874 10.173 1.00 0.00 C ATOM 418 O LEU A 678 0.382 6.284 10.965 1.00 0.00 O ATOM 419 CB LEU A 678 -0.161 6.545 7.786 1.00 0.00 C ATOM 420 CG LEU A 678 0.852 6.489 6.641 1.00 0.00 C ATOM 421 CD1 LEU A 678 0.241 5.814 5.423 1.00 0.00 C ATOM 422 CD2 LEU A 678 1.336 7.888 6.291 1.00 0.00 C ATOM 0 H LEU A 678 -1.376 4.407 7.463 1.00 0.00 H new ATOM 0 HA LEU A 678 0.951 5.028 8.808 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.165 6.565 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.024 7.482 8.325 1.00 0.00 H new ATOM 0 HG LEU A 678 1.710 5.900 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.975 5.783 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.058 4.798 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 678 -0.633 6.377 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 678 2.056 7.830 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.488 8.500 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.811 8.337 7.163 1.00 0.00 H new ATOM 434 N LYS A 679 -1.764 5.807 10.466 1.00 0.00 N ATOM 435 CA LYS A 679 -2.271 6.222 11.768 1.00 0.00 C ATOM 436 C LYS A 679 -1.564 5.465 12.892 1.00 0.00 C ATOM 437 O LYS A 679 -1.537 5.918 14.036 1.00 0.00 O ATOM 438 CB LYS A 679 -3.780 5.989 11.844 1.00 0.00 C ATOM 439 CG LYS A 679 -4.417 6.531 13.114 1.00 0.00 C ATOM 440 CD LYS A 679 -5.863 6.083 13.246 1.00 0.00 C ATOM 441 CE LYS A 679 -5.990 4.872 14.157 1.00 0.00 C ATOM 442 NZ LYS A 679 -5.843 3.595 13.407 1.00 0.00 N ATOM 0 H LYS A 679 -2.479 5.470 9.821 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.069 7.286 11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.255 6.456 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.978 4.919 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -3.849 6.192 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.371 7.620 13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.464 6.902 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.262 5.842 12.261 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -5.231 4.924 14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.960 4.892 14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -6.134 2.801 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.442 3.620 12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -4.849 3.470 13.126 1.00 0.00 H new ATOM 456 N ASN A 680 -0.989 4.308 12.556 1.00 0.00 N ATOM 457 CA ASN A 680 -0.278 3.488 13.534 1.00 0.00 C ATOM 458 C ASN A 680 0.765 4.310 14.285 1.00 0.00 C ATOM 459 O ASN A 680 0.921 5.506 14.041 1.00 0.00 O ATOM 460 CB ASN A 680 0.399 2.299 12.841 1.00 0.00 C ATOM 461 CG ASN A 680 -0.534 1.116 12.681 1.00 0.00 C ATOM 462 OD1 ASN A 680 -0.354 0.078 13.318 1.00 0.00 O ATOM 463 ND2 ASN A 680 -1.539 1.264 11.826 1.00 0.00 N ATOM 0 H ASN A 680 -1.003 3.919 11.613 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.008 3.117 14.253 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.758 2.610 11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.272 1.994 13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -2.198 0.500 11.677 1.00 0.00 H new ATOM 0 HD22 ASN A 680 -1.652 2.141 11.318 1.00 0.00 H new ATOM 470 N LYS A 681 1.476 3.657 15.203 1.00 0.00 N ATOM 471 CA LYS A 681 2.510 4.317 15.999 1.00 0.00 C ATOM 472 C LYS A 681 2.027 5.665 16.531 1.00 0.00 C ATOM 473 O LYS A 681 2.784 6.636 16.571 1.00 0.00 O ATOM 474 CB LYS A 681 3.783 4.505 15.170 1.00 0.00 C ATOM 475 CG LYS A 681 3.628 5.486 14.019 1.00 0.00 C ATOM 476 CD LYS A 681 4.978 5.952 13.498 1.00 0.00 C ATOM 477 CE LYS A 681 5.453 7.202 14.220 1.00 0.00 C ATOM 478 NZ LYS A 681 6.170 8.134 13.308 1.00 0.00 N ATOM 0 H LYS A 681 1.354 2.667 15.415 1.00 0.00 H new ATOM 0 HA LYS A 681 2.732 3.676 16.852 1.00 0.00 H new ATOM 0 HB2 LYS A 681 4.583 4.851 15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 681 4.092 3.538 14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.068 5.015 13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 681 3.047 6.347 14.349 1.00 0.00 H new ATOM 0 HD2 LYS A 681 5.712 5.156 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 681 4.907 6.153 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 681 4.597 7.713 14.661 1.00 0.00 H new ATOM 0 HE3 LYS A 681 6.112 6.918 15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 6.477 8.973 13.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 7.001 7.656 12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.533 8.426 12.539 1.00 0.00 H new ATOM 492 N GLN A 682 0.763 5.716 16.939 1.00 0.00 N ATOM 493 CA GLN A 682 0.180 6.944 17.468 1.00 0.00 C ATOM 494 C GLN A 682 -0.430 6.706 18.846 1.00 0.00 C ATOM 495 O GLN A 682 -1.419 7.338 19.215 1.00 0.00 O ATOM 496 CB GLN A 682 -0.887 7.480 16.511 1.00 0.00 C ATOM 497 CG GLN A 682 -0.312 8.209 15.307 1.00 0.00 C ATOM 498 CD GLN A 682 -1.308 9.159 14.672 1.00 0.00 C ATOM 499 OE1 GLN A 682 -0.960 10.274 14.282 1.00 0.00 O ATOM 500 NE2 GLN A 682 -2.558 8.723 14.565 1.00 0.00 N ATOM 0 H GLN A 682 0.123 4.922 16.914 1.00 0.00 H new ATOM 0 HA GLN A 682 0.976 7.683 17.565 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.502 6.650 16.163 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -1.545 8.157 17.056 1.00 0.00 H new ATOM 0 HG2 GLN A 682 0.573 8.767 15.613 1.00 0.00 H new ATOM 0 HG3 GLN A 682 0.012 7.479 14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -2.804 7.792 14.901 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -3.272 9.319 14.147 1.00 0.00 H new ATOM 509 N ASN A 683 0.168 5.791 19.601 1.00 0.00 N ATOM 510 CA ASN A 683 -0.317 5.469 20.938 1.00 0.00 C ATOM 511 C ASN A 683 0.555 6.124 22.005 1.00 0.00 C ATOM 512 O ASN A 683 1.178 7.163 21.702 1.00 0.00 O ATOM 513 CB ASN A 683 -0.342 3.954 21.144 1.00 0.00 C ATOM 514 CG ASN A 683 -1.123 3.236 20.060 1.00 0.00 C ATOM 515 OD1 ASN A 683 -2.327 3.015 20.190 1.00 0.00 O ATOM 516 ND2 ASN A 683 -0.440 2.868 18.984 1.00 0.00 N ATOM 517 OXT ASN A 683 0.607 5.593 23.134 1.00 0.00 O ATOM 0 H ASN A 683 0.989 5.260 19.310 1.00 0.00 H new ATOM 0 HA ASN A 683 -1.331 5.858 21.033 1.00 0.00 H new ATOM 0 HB2 ASN A 683 0.680 3.576 21.163 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -0.783 3.729 22.115 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -0.912 2.381 18.222 1.00 0.00 H new ATOM 0 HD22 ASN A 683 0.557 3.072 18.919 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -12.225 -0.597 14.375 1.00 0.00 N ATOM 526 CA ARG B 405 -11.180 0.202 15.073 1.00 0.00 C ATOM 527 C ARG B 405 -9.901 -0.609 15.283 1.00 0.00 C ATOM 528 O ARG B 405 -8.811 -0.167 14.921 1.00 0.00 O ATOM 529 CB ARG B 405 -11.734 0.673 16.421 1.00 0.00 C ATOM 530 CG ARG B 405 -11.519 2.155 16.683 1.00 0.00 C ATOM 531 CD ARG B 405 -12.243 3.012 15.656 1.00 0.00 C ATOM 532 NE ARG B 405 -13.534 3.486 16.151 1.00 0.00 N ATOM 533 CZ ARG B 405 -14.300 4.361 15.503 1.00 0.00 C ATOM 534 NH1 ARG B 405 -13.910 4.859 14.336 1.00 0.00 N ATOM 535 NH2 ARG B 405 -15.460 4.738 16.024 1.00 0.00 N ATOM 0 HA ARG B 405 -10.923 1.061 14.453 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -12.802 0.457 16.461 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -11.262 0.099 17.219 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -11.875 2.404 17.683 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -10.453 2.379 16.659 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -11.620 3.867 15.393 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -12.394 2.435 14.744 1.00 0.00 H new ATOM 0 HE ARG B 405 -13.867 3.125 17.045 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -13.019 4.572 13.931 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -14.501 5.529 13.844 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -15.764 4.358 16.920 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -16.048 5.408 15.529 1.00 0.00 H new ATOM 550 N PRO B 406 -10.016 -1.813 15.875 1.00 0.00 N ATOM 551 CA PRO B 406 -8.866 -2.678 16.130 1.00 0.00 C ATOM 552 C PRO B 406 -8.461 -3.488 14.899 1.00 0.00 C ATOM 553 O PRO B 406 -9.197 -4.373 14.462 1.00 0.00 O ATOM 554 CB PRO B 406 -9.377 -3.601 17.232 1.00 0.00 C ATOM 555 CG PRO B 406 -10.839 -3.724 16.971 1.00 0.00 C ATOM 556 CD PRO B 406 -11.277 -2.423 16.343 1.00 0.00 C ATOM 0 HA PRO B 406 -7.974 -2.112 16.398 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -8.885 -4.573 17.195 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -9.184 -3.183 18.220 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -11.044 -4.563 16.307 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -11.383 -3.910 17.897 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -11.970 -2.591 15.519 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -11.787 -1.783 17.063 1.00 0.00 H new ATOM 564 N PRO B 407 -7.281 -3.198 14.319 1.00 0.00 N ATOM 565 CA PRO B 407 -6.789 -3.909 13.134 1.00 0.00 C ATOM 566 C PRO B 407 -6.845 -5.426 13.302 1.00 0.00 C ATOM 567 O PRO B 407 -6.032 -6.007 14.020 1.00 0.00 O ATOM 568 CB PRO B 407 -5.339 -3.438 13.016 1.00 0.00 C ATOM 569 CG PRO B 407 -5.324 -2.096 13.659 1.00 0.00 C ATOM 570 CD PRO B 407 -6.336 -2.159 14.771 1.00 0.00 C ATOM 0 HA PRO B 407 -7.394 -3.699 12.252 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -4.657 -4.125 13.518 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -5.025 -3.381 11.974 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -4.333 -1.860 14.046 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -5.580 -1.316 12.942 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -5.872 -2.424 15.721 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -6.833 -1.200 14.916 1.00 0.00 H new ATOM 578 N PRO B 408 -7.808 -6.092 12.638 1.00 0.00 N ATOM 579 CA PRO B 408 -7.959 -7.549 12.722 1.00 0.00 C ATOM 580 C PRO B 408 -6.660 -8.285 12.413 1.00 0.00 C ATOM 581 O PRO B 408 -5.619 -7.663 12.200 1.00 0.00 O ATOM 582 CB PRO B 408 -9.016 -7.861 11.660 1.00 0.00 C ATOM 583 CG PRO B 408 -9.798 -6.600 11.522 1.00 0.00 C ATOM 584 CD PRO B 408 -8.822 -5.481 11.757 1.00 0.00 C ATOM 0 HA PRO B 408 -8.237 -7.871 13.725 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -8.555 -8.146 10.714 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -9.653 -8.690 11.967 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -10.247 -6.525 10.531 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -10.613 -6.565 12.245 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -8.383 -5.128 10.824 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -9.300 -4.623 12.229 1.00 0.00 H new ATOM 592 N ALA B 409 -6.728 -9.611 12.389 1.00 0.00 N ATOM 593 CA ALA B 409 -5.557 -10.432 12.105 1.00 0.00 C ATOM 594 C ALA B 409 -5.953 -11.882 11.848 1.00 0.00 C ATOM 595 O ALA B 409 -5.224 -12.807 12.206 1.00 0.00 O ATOM 596 CB ALA B 409 -4.565 -10.350 13.256 1.00 0.00 C ATOM 0 H ALA B 409 -7.582 -10.141 12.563 1.00 0.00 H new ATOM 0 HA ALA B 409 -5.083 -10.047 11.202 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -3.695 -10.967 13.031 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -4.250 -9.315 13.392 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -5.038 -10.708 14.170 1.00 0.00 H new ATOM 602 N HIS B 410 -7.110 -12.072 11.223 1.00 0.00 N ATOM 603 CA HIS B 410 -7.602 -13.410 10.916 1.00 0.00 C ATOM 604 C HIS B 410 -7.065 -13.892 9.573 1.00 0.00 C ATOM 605 O HIS B 410 -6.190 -14.756 9.517 1.00 0.00 O ATOM 606 CB HIS B 410 -9.131 -13.423 10.903 1.00 0.00 C ATOM 607 CG HIS B 410 -9.744 -13.149 12.242 1.00 0.00 C ATOM 608 ND1 HIS B 410 -9.106 -13.424 13.432 1.00 0.00 N ATOM 609 CD2 HIS B 410 -10.946 -12.621 12.574 1.00 0.00 C ATOM 610 CE1 HIS B 410 -9.888 -13.077 14.439 1.00 0.00 C ATOM 611 NE2 HIS B 410 -11.009 -12.587 13.946 1.00 0.00 N ATOM 0 H HIS B 410 -7.724 -11.317 10.919 1.00 0.00 H new ATOM 0 HA HIS B 410 -7.247 -14.088 11.692 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -9.486 -12.678 10.191 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -9.475 -14.394 10.547 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -11.712 -12.289 11.889 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -9.650 -13.178 15.488 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -11.795 -12.239 14.495 1.00 0.00 H new ATOM 620 N HIS B 411 -7.598 -13.330 8.493 1.00 0.00 N ATOM 621 CA HIS B 411 -7.173 -13.704 7.148 1.00 0.00 C ATOM 622 C HIS B 411 -7.169 -12.491 6.224 1.00 0.00 C ATOM 623 O HIS B 411 -8.224 -11.997 5.827 1.00 0.00 O ATOM 624 CB HIS B 411 -8.092 -14.788 6.583 1.00 0.00 C ATOM 625 CG HIS B 411 -7.805 -16.156 7.122 1.00 0.00 C ATOM 626 ND1 HIS B 411 -7.369 -17.199 6.334 1.00 0.00 N ATOM 627 CD2 HIS B 411 -7.894 -16.649 8.381 1.00 0.00 C ATOM 628 CE1 HIS B 411 -7.203 -18.275 7.082 1.00 0.00 C ATOM 629 NE2 HIS B 411 -7.514 -17.967 8.328 1.00 0.00 N ATOM 0 H HIS B 411 -8.324 -12.615 8.522 1.00 0.00 H new ATOM 0 HA HIS B 411 -6.158 -14.096 7.209 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -9.127 -14.528 6.806 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -7.995 -14.806 5.498 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -8.206 -16.107 9.261 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -6.870 -19.242 6.734 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -7.478 -18.605 9.123 1.00 0.00 H new ATOM 638 N ASN B 412 -5.976 -12.016 5.883 1.00 0.00 N ATOM 639 CA ASN B 412 -5.834 -10.861 5.005 1.00 0.00 C ATOM 640 C ASN B 412 -4.366 -10.603 4.677 1.00 0.00 C ATOM 641 O ASN B 412 -3.524 -10.535 5.572 1.00 0.00 O ATOM 642 CB ASN B 412 -6.449 -9.621 5.655 1.00 0.00 C ATOM 643 CG ASN B 412 -7.040 -8.666 4.635 1.00 0.00 C ATOM 644 OD1 ASN B 412 -6.818 -8.809 3.433 1.00 0.00 O ATOM 645 ND2 ASN B 412 -7.797 -7.686 5.112 1.00 0.00 N ATOM 0 H ASN B 412 -5.093 -12.414 6.202 1.00 0.00 H new ATOM 0 HA ASN B 412 -6.363 -11.076 4.076 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -7.227 -9.929 6.354 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.686 -9.102 6.235 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -8.222 -7.013 4.474 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -7.954 -7.606 6.117 1.00 0.00 H new ATOM 652 N MET B 413 -4.069 -10.460 3.390 1.00 0.00 N ATOM 653 CA MET B 413 -2.703 -10.210 2.945 1.00 0.00 C ATOM 654 C MET B 413 -2.301 -8.762 3.211 1.00 0.00 C ATOM 655 O MET B 413 -2.582 -7.872 2.408 1.00 0.00 O ATOM 656 CB MET B 413 -2.565 -10.524 1.454 1.00 0.00 C ATOM 657 CG MET B 413 -3.082 -11.901 1.073 1.00 0.00 C ATOM 658 SD MET B 413 -3.838 -11.929 -0.564 1.00 0.00 S ATOM 659 CE MET B 413 -2.879 -13.216 -1.358 1.00 0.00 C ATOM 0 H MET B 413 -4.755 -10.513 2.637 1.00 0.00 H new ATOM 0 HA MET B 413 -2.038 -10.863 3.510 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.105 -9.771 0.881 1.00 0.00 H new ATOM 0 HB3 MET B 413 -1.515 -10.448 1.171 1.00 0.00 H new ATOM 0 HG2 MET B 413 -2.259 -12.615 1.101 1.00 0.00 H new ATOM 0 HG3 MET B 413 -3.813 -12.228 1.812 1.00 0.00 H new ATOM 0 HE1 MET B 413 -3.229 -13.351 -2.381 1.00 0.00 H new ATOM 0 HE2 MET B 413 -1.827 -12.932 -1.369 1.00 0.00 H new ATOM 0 HE3 MET B 413 -2.997 -14.150 -0.808 1.00 0.00 H new ATOM 669 N PHE B 414 -1.643 -8.533 4.342 1.00 0.00 N ATOM 670 CA PHE B 414 -1.203 -7.195 4.714 1.00 0.00 C ATOM 671 C PHE B 414 0.036 -7.253 5.604 1.00 0.00 C ATOM 672 O PHE B 414 0.290 -6.341 6.391 1.00 0.00 O ATOM 673 CB PHE B 414 -2.329 -6.447 5.432 1.00 0.00 C ATOM 674 CG PHE B 414 -2.317 -4.962 5.197 1.00 0.00 C ATOM 675 CD1 PHE B 414 -2.903 -4.420 4.063 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.724 -4.107 6.111 1.00 0.00 C ATOM 677 CE1 PHE B 414 -2.894 -3.058 3.846 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.712 -2.741 5.900 1.00 0.00 C ATOM 679 CZ PHE B 414 -2.300 -2.216 4.765 1.00 0.00 C ATOM 0 H PHE B 414 -1.403 -9.258 5.018 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.944 -6.659 3.801 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -3.287 -6.850 5.104 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.254 -6.637 6.503 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -3.372 -5.072 3.341 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -1.265 -4.513 7.000 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -3.352 -2.650 2.957 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.244 -2.086 6.620 1.00 0.00 H new ATOM 0 HZ PHE B 414 -2.295 -1.149 4.597 1.00 0.00 H new ATOM 689 N SER B 415 0.808 -8.331 5.474 1.00 0.00 N ATOM 690 CA SER B 415 2.021 -8.501 6.268 1.00 0.00 C ATOM 691 C SER B 415 3.134 -7.592 5.751 1.00 0.00 C ATOM 692 O SER B 415 3.346 -6.499 6.277 1.00 0.00 O ATOM 693 CB SER B 415 2.475 -9.963 6.240 1.00 0.00 C ATOM 694 OG SER B 415 1.645 -10.770 7.058 1.00 0.00 O ATOM 0 H SER B 415 0.615 -9.097 4.828 1.00 0.00 H new ATOM 0 HA SER B 415 1.799 -8.223 7.298 1.00 0.00 H new ATOM 0 HB2 SER B 415 2.453 -10.334 5.215 1.00 0.00 H new ATOM 0 HB3 SER B 415 3.507 -10.033 6.582 1.00 0.00 H new ATOM 0 HG SER B 415 1.954 -11.699 7.022 1.00 0.00 H new ATOM 700 N VAL B 416 3.835 -8.041 4.713 1.00 0.00 N ATOM 701 CA VAL B 416 4.914 -7.254 4.126 1.00 0.00 C ATOM 702 C VAL B 416 4.814 -7.252 2.598 1.00 0.00 C ATOM 703 O VAL B 416 5.047 -8.271 1.948 1.00 0.00 O ATOM 704 CB VAL B 416 6.314 -7.755 4.552 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.162 -6.591 5.051 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.210 -8.839 5.619 1.00 0.00 C ATOM 0 H VAL B 416 3.676 -8.942 4.263 1.00 0.00 H new ATOM 0 HA VAL B 416 4.796 -6.238 4.503 1.00 0.00 H new ATOM 0 HB VAL B 416 6.798 -8.192 3.679 1.00 0.00 H new ATOM 0 HG11 VAL B 416 8.145 -6.958 5.348 1.00 0.00 H new ATOM 0 HG12 VAL B 416 7.274 -5.855 4.255 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.674 -6.127 5.908 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.210 -9.172 5.898 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.702 -8.438 6.496 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.643 -9.683 5.226 1.00 0.00 H new ATOM 716 N PRO B 417 4.442 -6.101 2.014 1.00 0.00 N ATOM 717 CA PRO B 417 4.277 -5.935 0.563 1.00 0.00 C ATOM 718 C PRO B 417 5.540 -6.223 -0.253 1.00 0.00 C ATOM 719 O PRO B 417 6.662 -6.077 0.230 1.00 0.00 O ATOM 720 CB PRO B 417 3.871 -4.468 0.404 1.00 0.00 C ATOM 721 CG PRO B 417 3.306 -4.094 1.724 1.00 0.00 C ATOM 722 CD PRO B 417 4.120 -4.854 2.729 1.00 0.00 C ATOM 0 HA PRO B 417 3.547 -6.649 0.182 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.728 -3.845 0.148 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.137 -4.343 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.376 -3.019 1.892 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.251 -4.359 1.790 1.00 0.00 H new ATOM 0 HD2 PRO B 417 5.019 -4.309 3.016 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.558 -5.046 3.643 1.00 0.00 H new ATOM 730 N PRO B 418 5.345 -6.630 -1.522 1.00 0.00 N ATOM 731 CA PRO B 418 6.427 -6.948 -2.468 1.00 0.00 C ATOM 732 C PRO B 418 7.391 -5.778 -2.664 1.00 0.00 C ATOM 733 O PRO B 418 7.043 -4.630 -2.405 1.00 0.00 O ATOM 734 CB PRO B 418 5.697 -7.254 -3.779 1.00 0.00 C ATOM 735 CG PRO B 418 4.320 -7.632 -3.369 1.00 0.00 C ATOM 736 CD PRO B 418 4.019 -6.811 -2.150 1.00 0.00 C ATOM 0 HA PRO B 418 7.041 -7.773 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO B 418 5.689 -6.386 -4.439 1.00 0.00 H new ATOM 0 HB3 PRO B 418 6.184 -8.064 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO B 418 3.604 -7.427 -4.165 1.00 0.00 H new ATOM 0 HG3 PRO B 418 4.256 -8.698 -3.149 1.00 0.00 H new ATOM 0 HD2 PRO B 418 3.565 -5.855 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO B 418 3.325 -7.322 -1.483 1.00 0.00 H new ATOM 744 N PRO B 419 8.635 -6.068 -3.089 1.00 0.00 N ATOM 745 CA PRO B 419 9.679 -5.050 -3.280 1.00 0.00 C ATOM 746 C PRO B 419 9.209 -3.913 -4.182 1.00 0.00 C ATOM 747 O PRO B 419 8.255 -4.067 -4.944 1.00 0.00 O ATOM 748 CB PRO B 419 10.817 -5.826 -3.945 1.00 0.00 C ATOM 749 CG PRO B 419 10.622 -7.234 -3.502 1.00 0.00 C ATOM 750 CD PRO B 419 9.136 -7.426 -3.379 1.00 0.00 C ATOM 0 HA PRO B 419 9.966 -4.575 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO B 419 10.772 -5.742 -5.031 1.00 0.00 H new ATOM 0 HB3 PRO B 419 11.790 -5.445 -3.636 1.00 0.00 H new ATOM 0 HG2 PRO B 419 11.048 -7.932 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO B 419 11.119 -7.416 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO B 419 8.706 -7.825 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO B 419 8.886 -8.125 -2.581 1.00 0.00 H new ATOM 758 N PRO B 420 9.816 -2.716 -4.028 1.00 0.00 N ATOM 759 CA PRO B 420 9.391 -1.507 -4.746 1.00 0.00 C ATOM 760 C PRO B 420 9.226 -1.716 -6.241 1.00 0.00 C ATOM 761 O PRO B 420 10.141 -2.150 -6.940 1.00 0.00 O ATOM 762 CB PRO B 420 10.537 -0.533 -4.477 1.00 0.00 C ATOM 763 CG PRO B 420 11.061 -0.934 -3.142 1.00 0.00 C ATOM 764 CD PRO B 420 10.895 -2.429 -3.060 1.00 0.00 C ATOM 0 HA PRO B 420 8.412 -1.167 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO B 420 11.308 -0.605 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO B 420 10.188 0.500 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO B 420 12.108 -0.652 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO B 420 10.512 -0.436 -2.342 1.00 0.00 H new ATOM 0 HD2 PRO B 420 11.816 -2.949 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO B 420 10.625 -2.747 -2.053 1.00 0.00 H new ATOM 772 N ILE B 421 8.012 -1.411 -6.706 1.00 0.00 N ATOM 773 CA ILE B 421 7.647 -1.565 -8.105 1.00 0.00 C ATOM 774 C ILE B 421 8.704 -0.968 -9.030 1.00 0.00 C ATOM 775 O ILE B 421 9.311 -1.676 -9.833 1.00 0.00 O ATOM 776 CB ILE B 421 6.270 -0.926 -8.426 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.048 0.366 -7.612 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.150 -1.932 -8.180 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.835 0.334 -6.694 1.00 0.00 C ATOM 0 H ILE B 421 7.259 -1.051 -6.119 1.00 0.00 H new ATOM 0 HA ILE B 421 7.581 -2.639 -8.281 1.00 0.00 H new ATOM 0 HB ILE B 421 6.259 -0.650 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.937 0.559 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE B 421 5.942 1.202 -8.303 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.190 -1.470 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.296 -2.803 -8.819 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.163 -2.243 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.756 1.282 -6.162 1.00 0.00 H new ATOM 0 HD12 ILE B 421 3.934 0.175 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.944 -0.478 -5.975 1.00 0.00 H new ATOM 791 N LEU B 422 8.918 0.338 -8.914 1.00 0.00 N ATOM 792 CA LEU B 422 9.900 1.029 -9.740 1.00 0.00 C ATOM 793 C LEU B 422 10.013 2.494 -9.332 1.00 0.00 C ATOM 794 O LEU B 422 10.188 3.372 -10.175 1.00 0.00 O ATOM 795 CB LEU B 422 9.519 0.926 -11.218 1.00 0.00 C ATOM 796 CG LEU B 422 10.627 1.309 -12.201 1.00 0.00 C ATOM 797 CD1 LEU B 422 11.506 0.107 -12.510 1.00 0.00 C ATOM 798 CD2 LEU B 422 10.030 1.878 -13.479 1.00 0.00 C ATOM 0 H LEU B 422 8.424 0.940 -8.255 1.00 0.00 H new ATOM 0 HA LEU B 422 10.868 0.551 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU B 422 9.207 -0.097 -11.427 1.00 0.00 H new ATOM 0 HB3 LEU B 422 8.656 1.566 -11.400 1.00 0.00 H new ATOM 0 HG LEU B 422 11.248 2.077 -11.739 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.288 0.399 -13.211 1.00 0.00 H new ATOM 0 HD12 LEU B 422 11.961 -0.257 -11.589 1.00 0.00 H new ATOM 0 HD13 LEU B 422 10.899 -0.683 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU B 422 10.832 2.145 -14.167 1.00 0.00 H new ATOM 0 HD22 LEU B 422 9.386 1.131 -13.944 1.00 0.00 H new ATOM 0 HD23 LEU B 422 9.443 2.766 -13.243 1.00 0.00 H new ATOM 810 N GLY B 423 9.906 2.747 -8.032 1.00 0.00 N ATOM 811 CA GLY B 423 9.995 4.104 -7.532 1.00 0.00 C ATOM 812 C GLY B 423 11.426 4.592 -7.425 1.00 0.00 C ATOM 813 O GLY B 423 11.957 4.745 -6.325 1.00 0.00 O ATOM 0 H GLY B 423 9.759 2.035 -7.316 1.00 0.00 H new ATOM 0 HA2 GLY B 423 9.437 4.768 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY B 423 9.522 4.158 -6.551 1.00 0.00 H new ATOM 817 N ARG B 424 12.053 4.836 -8.571 1.00 0.00 N ATOM 818 CA ARG B 424 13.432 5.311 -8.602 1.00 0.00 C ATOM 819 C ARG B 424 14.368 4.303 -7.941 1.00 0.00 C ATOM 820 O ARG B 424 14.402 4.184 -6.717 1.00 0.00 O ATOM 821 CB ARG B 424 13.544 6.666 -7.901 1.00 0.00 C ATOM 822 CG ARG B 424 13.276 7.848 -8.817 1.00 0.00 C ATOM 823 CD ARG B 424 14.445 8.102 -9.755 1.00 0.00 C ATOM 824 NE ARG B 424 14.005 8.610 -11.052 1.00 0.00 N ATOM 825 CZ ARG B 424 14.835 9.029 -12.004 1.00 0.00 C ATOM 826 NH1 ARG B 424 16.147 9.003 -11.809 1.00 0.00 N ATOM 827 NH2 ARG B 424 14.352 9.476 -13.156 1.00 0.00 N ATOM 0 H ARG B 424 11.629 4.713 -9.490 1.00 0.00 H new ATOM 0 HA ARG B 424 13.728 5.426 -9.645 1.00 0.00 H new ATOM 0 HB2 ARG B 424 12.840 6.695 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG B 424 14.543 6.765 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG B 424 12.374 7.661 -9.400 1.00 0.00 H new ATOM 0 HG3 ARG B 424 13.089 8.739 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG B 424 15.128 8.818 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG B 424 15.003 7.177 -9.898 1.00 0.00 H new ATOM 0 HE ARG B 424 13.003 8.646 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG B 424 16.525 8.660 -10.926 1.00 0.00 H new ATOM 0 HH12 ARG B 424 16.778 9.325 -12.543 1.00 0.00 H new ATOM 0 HH21 ARG B 424 13.344 9.499 -13.312 1.00 0.00 H new ATOM 0 HH22 ARG B 424 14.988 9.797 -13.886 1.00 0.00 H new ATOM 841 N GLY B 425 15.126 3.581 -8.759 1.00 0.00 N ATOM 842 CA GLY B 425 16.052 2.595 -8.236 1.00 0.00 C ATOM 843 C GLY B 425 17.493 3.062 -8.296 1.00 0.00 C ATOM 844 O GLY B 425 17.732 4.274 -8.108 1.00 0.00 O ATOM 845 OXT GLY B 425 18.382 2.216 -8.530 1.00 0.00 O ATOM 0 H GLY B 425 15.115 3.661 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY B 425 15.790 2.368 -7.203 1.00 0.00 H new ATOM 0 HA3 GLY B 425 15.950 1.669 -8.802 1.00 0.00 H new TER 849 GLY B 425