USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=8 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 Set 1.1: A 667 LYS NZ :NH3+ 171:sc= 0.276 (180deg=0.186) USER MOD Set 1.2: B 412 ASN : amide:sc= -0.182 K(o=0.094,f=-1.6!) USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot 144:sc= -2.49 USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 661 TYR OH : rot -10:sc= -1.96! USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot -61:sc= 1.07 USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 68:sc= -1.32! USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.47) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.0479 X(o=-0.048,f=-0.0013) USER MOD Single : B 410 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.31) USER MOD Single : B 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 5.897 0.658 15.610 1.00 0.00 N ATOM 2 CA GLY A 651 7.269 1.034 15.171 1.00 0.00 C ATOM 3 C GLY A 651 7.570 0.578 13.756 1.00 0.00 C ATOM 4 O GLY A 651 8.511 -0.181 13.529 1.00 0.00 O ATOM 0 HA2 GLY A 651 7.383 2.116 15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 651 7.998 0.597 15.853 1.00 0.00 H new ATOM 9 N ALA A 652 6.769 1.045 12.804 1.00 0.00 N ATOM 10 CA ALA A 652 6.954 0.681 11.404 1.00 0.00 C ATOM 11 C ALA A 652 6.767 1.888 10.494 1.00 0.00 C ATOM 12 O ALA A 652 7.723 2.383 9.896 1.00 0.00 O ATOM 13 CB ALA A 652 5.990 -0.430 11.015 1.00 0.00 C ATOM 0 H ALA A 652 5.986 1.676 12.976 1.00 0.00 H new ATOM 0 HA ALA A 652 7.975 0.320 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 652 6.140 -0.691 9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 652 6.174 -1.306 11.637 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.965 -0.090 11.161 1.00 0.00 H new ATOM 19 N ASP A 653 5.527 2.357 10.389 1.00 0.00 N ATOM 20 CA ASP A 653 5.207 3.505 9.548 1.00 0.00 C ATOM 21 C ASP A 653 5.697 3.284 8.123 1.00 0.00 C ATOM 22 O ASP A 653 6.789 3.715 7.750 1.00 0.00 O ATOM 23 CB ASP A 653 5.824 4.781 10.125 1.00 0.00 C ATOM 24 CG ASP A 653 5.002 5.358 11.260 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.846 5.761 11.011 1.00 0.00 O ATOM 26 OD2 ASP A 653 5.513 5.406 12.398 1.00 0.00 O ATOM 0 H ASP A 653 4.725 1.958 10.878 1.00 0.00 H new ATOM 0 HA ASP A 653 4.123 3.618 9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 653 6.831 4.565 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.919 5.525 9.334 1.00 0.00 H new ATOM 31 N TYR A 654 4.878 2.601 7.337 1.00 0.00 N ATOM 32 CA TYR A 654 5.213 2.302 5.947 1.00 0.00 C ATOM 33 C TYR A 654 4.009 2.464 5.019 1.00 0.00 C ATOM 34 O TYR A 654 4.145 2.347 3.803 1.00 0.00 O ATOM 35 CB TYR A 654 5.771 0.877 5.826 1.00 0.00 C ATOM 36 CG TYR A 654 4.896 -0.214 6.432 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.684 0.074 7.065 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.296 -1.547 6.377 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.912 -0.922 7.615 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.520 -2.551 6.927 1.00 0.00 C ATOM 41 CZ TYR A 654 3.330 -2.233 7.545 1.00 0.00 C ATOM 42 OH TYR A 654 2.557 -3.229 8.096 1.00 0.00 O ATOM 0 H TYR A 654 3.972 2.241 7.637 1.00 0.00 H new ATOM 0 HA TYR A 654 5.973 3.020 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.926 0.653 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.749 0.845 6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.347 1.098 7.123 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.229 -1.801 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.979 -0.677 8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.845 -3.579 6.872 1.00 0.00 H new ATOM 0 HH TYR A 654 2.994 -4.096 7.959 1.00 0.00 H new ATOM 52 N SER A 655 2.837 2.732 5.592 1.00 0.00 N ATOM 53 CA SER A 655 1.617 2.900 4.811 1.00 0.00 C ATOM 54 C SER A 655 1.842 3.778 3.583 1.00 0.00 C ATOM 55 O SER A 655 1.197 3.595 2.553 1.00 0.00 O ATOM 56 CB SER A 655 0.515 3.489 5.695 1.00 0.00 C ATOM 57 OG SER A 655 -0.297 4.400 4.974 1.00 0.00 O ATOM 0 H SER A 655 2.708 2.837 6.598 1.00 0.00 H new ATOM 0 HA SER A 655 1.310 1.918 4.452 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.104 2.684 6.092 1.00 0.00 H new ATOM 0 HB3 SER A 655 0.964 3.997 6.549 1.00 0.00 H new ATOM 0 HG SER A 655 -1.226 4.319 5.275 1.00 0.00 H new ATOM 63 N ALA A 656 2.757 4.728 3.688 1.00 0.00 N ATOM 64 CA ALA A 656 3.042 5.612 2.569 1.00 0.00 C ATOM 65 C ALA A 656 3.640 4.841 1.413 1.00 0.00 C ATOM 66 O ALA A 656 3.032 4.719 0.348 1.00 0.00 O ATOM 67 CB ALA A 656 3.981 6.731 2.988 1.00 0.00 C ATOM 0 H ALA A 656 3.310 4.906 4.527 1.00 0.00 H new ATOM 0 HA ALA A 656 2.099 6.052 2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 656 4.179 7.379 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.520 7.313 3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.918 6.305 3.345 1.00 0.00 H new ATOM 73 N GLN A 657 4.834 4.324 1.628 1.00 0.00 N ATOM 74 CA GLN A 657 5.516 3.564 0.599 1.00 0.00 C ATOM 75 C GLN A 657 4.793 2.247 0.335 1.00 0.00 C ATOM 76 O GLN A 657 4.949 1.647 -0.728 1.00 0.00 O ATOM 77 CB GLN A 657 6.966 3.297 1.003 1.00 0.00 C ATOM 78 CG GLN A 657 7.920 3.203 -0.177 1.00 0.00 C ATOM 79 CD GLN A 657 8.553 4.537 -0.521 1.00 0.00 C ATOM 80 OE1 GLN A 657 7.893 5.575 -0.501 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.842 4.514 -0.841 1.00 0.00 N ATOM 0 H GLN A 657 5.350 4.416 2.503 1.00 0.00 H new ATOM 0 HA GLN A 657 5.511 4.152 -0.318 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.301 4.093 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.011 2.367 1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 657 8.704 2.481 0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.381 2.825 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 657 10.351 3.630 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.323 5.380 -1.083 1.00 0.00 H new ATOM 90 N TRP A 658 4.004 1.796 1.311 1.00 0.00 N ATOM 91 CA TRP A 658 3.270 0.546 1.175 1.00 0.00 C ATOM 92 C TRP A 658 1.955 0.759 0.445 1.00 0.00 C ATOM 93 O TRP A 658 1.483 -0.136 -0.253 1.00 0.00 O ATOM 94 CB TRP A 658 3.008 -0.091 2.542 1.00 0.00 C ATOM 95 CG TRP A 658 3.949 -1.209 2.876 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.646 -2.355 3.554 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.343 -1.291 2.553 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.765 -3.143 3.671 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.818 -2.512 3.065 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.235 -0.452 1.879 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.144 -2.912 2.925 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.551 -0.851 1.741 1.00 0.00 C ATOM 103 CH2 TRP A 658 7.995 -2.071 2.262 1.00 0.00 C ATOM 0 H TRP A 658 3.860 2.278 2.198 1.00 0.00 H new ATOM 0 HA TRP A 658 3.889 -0.131 0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.083 0.677 3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.986 -0.469 2.567 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.669 -2.605 3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.805 -4.051 4.134 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.902 0.492 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.489 -3.854 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.248 -0.210 1.222 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.030 -2.354 2.138 1.00 0.00 H new ATOM 114 N ALA A 659 1.373 1.949 0.570 1.00 0.00 N ATOM 115 CA ALA A 659 0.130 2.229 -0.126 1.00 0.00 C ATOM 116 C ALA A 659 0.462 2.596 -1.558 1.00 0.00 C ATOM 117 O ALA A 659 -0.330 2.381 -2.474 1.00 0.00 O ATOM 118 CB ALA A 659 -0.652 3.344 0.560 1.00 0.00 C ATOM 0 H ALA A 659 1.736 2.717 1.135 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.507 1.345 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.577 3.529 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.887 3.048 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.052 4.254 0.575 1.00 0.00 H new ATOM 124 N GLU A 660 1.670 3.127 -1.732 1.00 0.00 N ATOM 125 CA GLU A 660 2.169 3.511 -3.037 1.00 0.00 C ATOM 126 C GLU A 660 2.095 2.337 -3.989 1.00 0.00 C ATOM 127 O GLU A 660 1.827 2.498 -5.180 1.00 0.00 O ATOM 128 CB GLU A 660 3.617 3.983 -2.915 1.00 0.00 C ATOM 129 CG GLU A 660 3.814 5.415 -3.348 1.00 0.00 C ATOM 130 CD GLU A 660 5.163 5.971 -2.936 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.192 5.434 -3.396 1.00 0.00 O ATOM 132 OE2 GLU A 660 5.190 6.945 -2.154 1.00 0.00 O ATOM 0 H GLU A 660 2.325 3.300 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 660 1.554 4.322 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.941 3.875 -1.880 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.255 3.337 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.715 5.479 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.025 6.032 -2.918 1.00 0.00 H new ATOM 139 N TYR A 661 2.331 1.153 -3.449 1.00 0.00 N ATOM 140 CA TYR A 661 2.287 -0.054 -4.246 1.00 0.00 C ATOM 141 C TYR A 661 0.864 -0.352 -4.658 1.00 0.00 C ATOM 142 O TYR A 661 0.537 -0.362 -5.839 1.00 0.00 O ATOM 143 CB TYR A 661 2.881 -1.211 -3.455 1.00 0.00 C ATOM 144 CG TYR A 661 4.340 -0.995 -3.174 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.204 -0.725 -4.217 1.00 0.00 C ATOM 146 CD2 TYR A 661 4.851 -1.032 -1.884 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.538 -0.503 -3.997 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.193 -0.802 -1.648 1.00 0.00 C ATOM 149 CZ TYR A 661 7.035 -0.537 -2.710 1.00 0.00 C ATOM 150 OH TYR A 661 8.371 -0.298 -2.484 1.00 0.00 O ATOM 0 H TYR A 661 2.554 1.005 -2.465 1.00 0.00 H new ATOM 0 HA TYR A 661 2.878 0.086 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.341 -1.325 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.750 -2.139 -4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.821 -0.688 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.192 -1.243 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.198 -0.302 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.581 -0.829 -0.640 1.00 0.00 H new ATOM 0 HH TYR A 661 8.850 -0.287 -3.339 1.00 0.00 H new ATOM 160 N TYR A 662 0.016 -0.562 -3.674 1.00 0.00 N ATOM 161 CA TYR A 662 -1.383 -0.839 -3.931 1.00 0.00 C ATOM 162 C TYR A 662 -2.018 0.296 -4.721 1.00 0.00 C ATOM 163 O TYR A 662 -3.031 0.104 -5.386 1.00 0.00 O ATOM 164 CB TYR A 662 -2.105 -1.070 -2.611 1.00 0.00 C ATOM 165 CG TYR A 662 -1.344 -2.007 -1.716 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.206 -3.350 -2.032 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.737 -1.535 -0.573 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.485 -4.200 -1.218 1.00 0.00 C ATOM 169 CE2 TYR A 662 -0.011 -2.367 0.247 1.00 0.00 C ATOM 170 CZ TYR A 662 0.114 -3.703 -0.077 1.00 0.00 C ATOM 171 OH TYR A 662 0.838 -4.541 0.739 1.00 0.00 O ATOM 0 H TYR A 662 0.271 -0.546 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.468 -1.742 -4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.247 -0.116 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.097 -1.478 -2.806 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.669 -3.736 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.833 -0.491 -0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.390 -5.246 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.458 -1.978 1.138 1.00 0.00 H new ATOM 0 HH TYR A 662 1.193 -4.032 1.497 1.00 0.00 H new ATOM 181 N ARG A 663 -1.404 1.479 -4.670 1.00 0.00 N ATOM 182 CA ARG A 663 -1.919 2.617 -5.413 1.00 0.00 C ATOM 183 C ARG A 663 -1.436 2.582 -6.859 1.00 0.00 C ATOM 184 O ARG A 663 -1.775 3.456 -7.657 1.00 0.00 O ATOM 185 CB ARG A 663 -1.508 3.936 -4.755 1.00 0.00 C ATOM 186 CG ARG A 663 -2.647 4.632 -4.025 1.00 0.00 C ATOM 187 CD ARG A 663 -2.330 4.843 -2.553 1.00 0.00 C ATOM 188 NE ARG A 663 -2.199 6.259 -2.218 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.108 6.982 -2.460 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.049 6.426 -3.038 1.00 0.00 N ATOM 191 NH2 ARG A 663 -1.074 8.264 -2.124 1.00 0.00 N ATOM 0 H ARG A 663 -0.561 1.668 -4.128 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.007 2.552 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.699 3.744 -4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.113 4.606 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.845 5.595 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.556 4.038 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.118 4.398 -1.945 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.404 4.324 -2.304 1.00 0.00 H new ATOM 0 HE ARG A 663 -2.991 6.721 -1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -0.069 5.440 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 663 0.784 6.985 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -1.884 8.696 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.238 8.818 -2.310 1.00 0.00 H new ATOM 205 N SER A 664 -0.646 1.567 -7.193 1.00 0.00 N ATOM 206 CA SER A 664 -0.126 1.422 -8.542 1.00 0.00 C ATOM 207 C SER A 664 0.392 0.009 -8.782 1.00 0.00 C ATOM 208 O SER A 664 1.257 -0.216 -9.629 1.00 0.00 O ATOM 209 CB SER A 664 0.967 2.448 -8.788 1.00 0.00 C ATOM 210 OG SER A 664 1.677 2.173 -9.984 1.00 0.00 O ATOM 0 H SER A 664 -0.354 0.834 -6.546 1.00 0.00 H new ATOM 0 HA SER A 664 -0.938 1.598 -9.247 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.527 3.444 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.659 2.453 -7.946 1.00 0.00 H new ATOM 0 HG SER A 664 2.105 1.294 -9.916 1.00 0.00 H new ATOM 216 N VAL A 665 -0.163 -0.942 -8.041 1.00 0.00 N ATOM 217 CA VAL A 665 0.216 -2.338 -8.175 1.00 0.00 C ATOM 218 C VAL A 665 -1.005 -3.177 -8.549 1.00 0.00 C ATOM 219 O VAL A 665 -0.879 -4.352 -8.899 1.00 0.00 O ATOM 220 CB VAL A 665 0.878 -2.887 -6.883 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.160 -3.360 -5.870 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.853 -4.005 -7.217 1.00 0.00 C ATOM 0 H VAL A 665 -0.881 -0.768 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 665 0.958 -2.406 -8.971 1.00 0.00 H new ATOM 0 HB VAL A 665 1.430 -2.067 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.345 -3.737 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.806 -2.526 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.762 -4.155 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.308 -4.378 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.320 -4.816 -7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.631 -3.624 -7.878 1.00 0.00 H new ATOM 232 N GLY A 666 -2.190 -2.558 -8.492 1.00 0.00 N ATOM 233 CA GLY A 666 -3.407 -3.264 -8.851 1.00 0.00 C ATOM 234 C GLY A 666 -4.459 -3.259 -7.755 1.00 0.00 C ATOM 235 O GLY A 666 -5.102 -4.279 -7.511 1.00 0.00 O ATOM 0 H GLY A 666 -2.323 -1.588 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.828 -2.812 -9.749 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.159 -4.296 -9.100 1.00 0.00 H new ATOM 239 N LYS A 667 -4.650 -2.115 -7.099 1.00 0.00 N ATOM 240 CA LYS A 667 -5.651 -2.011 -6.037 1.00 0.00 C ATOM 241 C LYS A 667 -5.570 -0.673 -5.301 1.00 0.00 C ATOM 242 O LYS A 667 -5.446 -0.635 -4.077 1.00 0.00 O ATOM 243 CB LYS A 667 -5.500 -3.162 -5.036 1.00 0.00 C ATOM 244 CG LYS A 667 -4.057 -3.481 -4.680 1.00 0.00 C ATOM 245 CD LYS A 667 -3.974 -4.477 -3.532 1.00 0.00 C ATOM 246 CE LYS A 667 -3.016 -5.615 -3.847 1.00 0.00 C ATOM 247 NZ LYS A 667 -2.714 -6.437 -2.642 1.00 0.00 N ATOM 0 H LYS A 667 -4.131 -1.256 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.629 -2.073 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.042 -2.912 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.968 -4.055 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.547 -3.887 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.537 -2.563 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.646 -3.964 -2.628 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -4.965 -4.881 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.448 -6.250 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -2.089 -5.208 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -2.184 -7.286 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -2.144 -5.879 -1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -3.603 -6.721 -2.184 1.00 0.00 H new ATOM 261 N ILE A 668 -5.657 0.427 -6.048 1.00 0.00 N ATOM 262 CA ILE A 668 -5.610 1.764 -5.451 1.00 0.00 C ATOM 263 C ILE A 668 -6.662 1.890 -4.368 1.00 0.00 C ATOM 264 O ILE A 668 -6.379 2.310 -3.247 1.00 0.00 O ATOM 265 CB ILE A 668 -5.842 2.866 -6.507 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.579 3.070 -7.327 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.262 4.179 -5.852 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.067 1.799 -7.958 1.00 0.00 C ATOM 0 H ILE A 668 -5.760 0.421 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.616 1.895 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.650 2.545 -7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.776 3.802 -8.110 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.802 3.489 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.418 4.936 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.188 4.029 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.480 4.511 -5.169 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.164 2.014 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.839 1.072 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.828 1.391 -8.623 1.00 0.00 H new ATOM 280 N GLU A 669 -7.876 1.511 -4.719 1.00 0.00 N ATOM 281 CA GLU A 669 -8.991 1.556 -3.796 1.00 0.00 C ATOM 282 C GLU A 669 -8.613 0.894 -2.480 1.00 0.00 C ATOM 283 O GLU A 669 -8.875 1.427 -1.402 1.00 0.00 O ATOM 284 CB GLU A 669 -10.186 0.862 -4.436 1.00 0.00 C ATOM 285 CG GLU A 669 -11.508 1.575 -4.207 1.00 0.00 C ATOM 286 CD GLU A 669 -12.289 0.997 -3.044 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.703 0.847 -1.951 1.00 0.00 O ATOM 288 OE2 GLU A 669 -13.487 0.691 -3.225 1.00 0.00 O ATOM 0 H GLU A 669 -8.115 1.165 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.254 2.592 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -10.012 0.776 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.258 -0.152 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.319 2.633 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -12.112 1.512 -5.112 1.00 0.00 H new ATOM 295 N GLU A 670 -7.955 -0.253 -2.579 1.00 0.00 N ATOM 296 CA GLU A 670 -7.496 -0.962 -1.398 1.00 0.00 C ATOM 297 C GLU A 670 -6.262 -0.269 -0.851 1.00 0.00 C ATOM 298 O GLU A 670 -5.990 -0.328 0.348 1.00 0.00 O ATOM 299 CB GLU A 670 -7.188 -2.425 -1.727 1.00 0.00 C ATOM 300 CG GLU A 670 -7.282 -3.351 -0.525 1.00 0.00 C ATOM 301 CD GLU A 670 -6.033 -3.320 0.333 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.945 -3.034 -0.211 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.142 -3.581 1.550 1.00 0.00 O ATOM 0 H GLU A 670 -7.729 -0.709 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.284 -0.950 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.880 -2.769 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -6.185 -2.491 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -8.142 -3.067 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.457 -4.370 -0.869 1.00 0.00 H new ATOM 310 N ALA A 671 -5.526 0.421 -1.727 1.00 0.00 N ATOM 311 CA ALA A 671 -4.352 1.145 -1.288 1.00 0.00 C ATOM 312 C ALA A 671 -4.765 2.198 -0.279 1.00 0.00 C ATOM 313 O ALA A 671 -4.046 2.470 0.682 1.00 0.00 O ATOM 314 CB ALA A 671 -3.624 1.773 -2.455 1.00 0.00 C ATOM 0 H ALA A 671 -5.725 0.488 -2.725 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.661 0.445 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.747 2.309 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.310 0.994 -3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.289 2.469 -2.966 1.00 0.00 H new ATOM 320 N GLU A 672 -5.959 2.762 -0.479 1.00 0.00 N ATOM 321 CA GLU A 672 -6.481 3.749 0.450 1.00 0.00 C ATOM 322 C GLU A 672 -6.521 3.143 1.850 1.00 0.00 C ATOM 323 O GLU A 672 -6.475 3.853 2.854 1.00 0.00 O ATOM 324 CB GLU A 672 -7.881 4.199 0.028 1.00 0.00 C ATOM 325 CG GLU A 672 -7.931 4.809 -1.363 1.00 0.00 C ATOM 326 CD GLU A 672 -9.346 5.095 -1.823 1.00 0.00 C ATOM 327 OE1 GLU A 672 -10.240 5.212 -0.959 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.561 5.205 -3.049 1.00 0.00 O ATOM 0 H GLU A 672 -6.571 2.551 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.831 4.624 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.555 3.343 0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.252 4.928 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.356 5.735 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.453 4.131 -2.070 1.00 0.00 H new ATOM 335 N ALA A 673 -6.586 1.809 1.896 1.00 0.00 N ATOM 336 CA ALA A 673 -6.610 1.084 3.154 1.00 0.00 C ATOM 337 C ALA A 673 -5.272 1.216 3.866 1.00 0.00 C ATOM 338 O ALA A 673 -5.220 1.386 5.084 1.00 0.00 O ATOM 339 CB ALA A 673 -6.947 -0.380 2.917 1.00 0.00 C ATOM 0 H ALA A 673 -6.623 1.214 1.068 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.383 1.516 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -6.961 -0.909 3.870 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -7.927 -0.456 2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.195 -0.826 2.266 1.00 0.00 H new ATOM 345 N ILE A 674 -4.185 1.159 3.095 1.00 0.00 N ATOM 346 CA ILE A 674 -2.854 1.299 3.664 1.00 0.00 C ATOM 347 C ILE A 674 -2.707 2.687 4.255 1.00 0.00 C ATOM 348 O ILE A 674 -2.131 2.866 5.323 1.00 0.00 O ATOM 349 CB ILE A 674 -1.734 1.078 2.622 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.664 -0.369 2.174 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.391 1.477 3.191 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.808 -0.778 1.298 1.00 0.00 C ATOM 0 H ILE A 674 -4.204 1.018 2.085 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.748 0.531 4.431 1.00 0.00 H new ATOM 0 HB ILE A 674 -1.973 1.702 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.729 -0.530 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.641 -1.013 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.384 1.314 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.412 2.531 3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.176 0.874 4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.694 -1.824 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.745 -0.649 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.819 -0.159 0.401 1.00 0.00 H new ATOM 364 N GLU A 675 -3.248 3.674 3.554 1.00 0.00 N ATOM 365 CA GLU A 675 -3.187 5.047 4.021 1.00 0.00 C ATOM 366 C GLU A 675 -3.672 5.131 5.466 1.00 0.00 C ATOM 367 O GLU A 675 -3.275 6.023 6.216 1.00 0.00 O ATOM 368 CB GLU A 675 -4.013 5.952 3.109 1.00 0.00 C ATOM 369 CG GLU A 675 -3.181 6.992 2.377 1.00 0.00 C ATOM 370 CD GLU A 675 -4.023 7.913 1.516 1.00 0.00 C ATOM 371 OE1 GLU A 675 -4.679 8.815 2.077 1.00 0.00 O ATOM 372 OE2 GLU A 675 -4.027 7.731 0.280 1.00 0.00 O ATOM 0 H GLU A 675 -3.731 3.548 2.665 1.00 0.00 H new ATOM 0 HA GLU A 675 -2.153 5.390 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.538 5.337 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.773 6.459 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.627 7.586 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -2.445 6.488 1.751 1.00 0.00 H new ATOM 379 N LYS A 676 -4.519 4.176 5.857 1.00 0.00 N ATOM 380 CA LYS A 676 -5.036 4.125 7.217 1.00 0.00 C ATOM 381 C LYS A 676 -3.962 3.615 8.175 1.00 0.00 C ATOM 382 O LYS A 676 -3.946 3.979 9.351 1.00 0.00 O ATOM 383 CB LYS A 676 -6.277 3.229 7.278 1.00 0.00 C ATOM 384 CG LYS A 676 -7.507 3.931 7.830 1.00 0.00 C ATOM 385 CD LYS A 676 -8.785 3.214 7.427 1.00 0.00 C ATOM 386 CE LYS A 676 -9.825 3.264 8.536 1.00 0.00 C ATOM 387 NZ LYS A 676 -9.818 2.023 9.359 1.00 0.00 N ATOM 0 H LYS A 676 -4.858 3.431 5.249 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.319 5.133 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.498 2.860 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.057 2.359 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.443 3.979 8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.535 4.958 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -9.191 3.671 6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.560 2.175 7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.633 4.125 9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -10.814 3.405 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -10.540 2.096 10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.027 1.204 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -8.882 1.901 9.796 1.00 0.00 H new ATOM 401 N THR A 677 -3.052 2.790 7.662 1.00 0.00 N ATOM 402 CA THR A 677 -1.965 2.258 8.480 1.00 0.00 C ATOM 403 C THR A 677 -1.012 3.383 8.862 1.00 0.00 C ATOM 404 O THR A 677 -0.344 3.322 9.894 1.00 0.00 O ATOM 405 CB THR A 677 -1.201 1.145 7.747 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.768 0.884 6.476 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.180 -0.158 8.512 1.00 0.00 C ATOM 0 H THR A 677 -3.045 2.477 6.691 1.00 0.00 H new ATOM 0 HA THR A 677 -2.399 1.825 9.381 1.00 0.00 H new ATOM 0 HB THR A 677 -0.181 1.517 7.648 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.625 1.656 5.889 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.626 -0.905 7.943 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.697 -0.005 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.202 -0.505 8.668 1.00 0.00 H new ATOM 415 N LEU A 678 -0.968 4.421 8.028 1.00 0.00 N ATOM 416 CA LEU A 678 -0.113 5.570 8.286 1.00 0.00 C ATOM 417 C LEU A 678 -0.428 6.151 9.657 1.00 0.00 C ATOM 418 O LEU A 678 0.457 6.653 10.350 1.00 0.00 O ATOM 419 CB LEU A 678 -0.308 6.634 7.202 1.00 0.00 C ATOM 420 CG LEU A 678 0.984 7.247 6.660 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.434 6.520 5.402 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.792 8.731 6.380 1.00 0.00 C ATOM 0 H LEU A 678 -1.515 4.486 7.170 1.00 0.00 H new ATOM 0 HA LEU A 678 0.928 5.246 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.858 6.190 6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.930 7.433 7.605 1.00 0.00 H new ATOM 0 HG LEU A 678 1.761 7.136 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.355 6.970 5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.611 5.469 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.659 6.598 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.721 9.152 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.001 8.863 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.517 9.243 7.302 1.00 0.00 H new ATOM 434 N LYS A 679 -1.697 6.061 10.049 1.00 0.00 N ATOM 435 CA LYS A 679 -2.130 6.560 11.348 1.00 0.00 C ATOM 436 C LYS A 679 -1.308 5.926 12.469 1.00 0.00 C ATOM 437 O LYS A 679 -1.187 6.488 13.557 1.00 0.00 O ATOM 438 CB LYS A 679 -3.616 6.265 11.558 1.00 0.00 C ATOM 439 CG LYS A 679 -4.154 6.767 12.888 1.00 0.00 C ATOM 440 CD LYS A 679 -5.618 7.167 12.780 1.00 0.00 C ATOM 441 CE LYS A 679 -6.529 5.951 12.797 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.047 5.663 14.163 1.00 0.00 N ATOM 0 H LYS A 679 -2.440 5.648 9.486 1.00 0.00 H new ATOM 0 HA LYS A 679 -1.975 7.639 11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.186 6.722 10.749 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.777 5.189 11.493 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.043 5.990 13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.565 7.622 13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -5.877 7.829 13.606 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.776 7.729 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.366 6.115 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.983 5.084 12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.664 4.826 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.250 5.481 14.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -7.590 6.480 14.508 1.00 0.00 H new ATOM 456 N ASN A 680 -0.744 4.751 12.190 1.00 0.00 N ATOM 457 CA ASN A 680 0.071 4.036 13.166 1.00 0.00 C ATOM 458 C ASN A 680 1.169 4.932 13.729 1.00 0.00 C ATOM 459 O ASN A 680 2.257 5.031 13.160 1.00 0.00 O ATOM 460 CB ASN A 680 0.693 2.792 12.525 1.00 0.00 C ATOM 461 CG ASN A 680 1.475 1.957 13.521 1.00 0.00 C ATOM 462 OD1 ASN A 680 2.547 2.356 13.976 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.941 0.791 13.864 1.00 0.00 N ATOM 0 H ASN A 680 -0.838 4.275 11.293 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.578 3.733 13.988 1.00 0.00 H new ATOM 0 HB2 ASN A 680 -0.095 2.182 12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.353 3.097 11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 680 1.422 0.186 14.530 1.00 0.00 H new ATOM 0 HD22 ASN A 680 0.050 0.500 13.462 1.00 0.00 H new ATOM 470 N LYS A 681 0.878 5.586 14.849 1.00 0.00 N ATOM 471 CA LYS A 681 1.840 6.475 15.489 1.00 0.00 C ATOM 472 C LYS A 681 1.376 6.865 16.888 1.00 0.00 C ATOM 473 O LYS A 681 1.578 7.996 17.328 1.00 0.00 O ATOM 474 CB LYS A 681 2.048 7.731 14.638 1.00 0.00 C ATOM 475 CG LYS A 681 3.488 8.218 14.617 1.00 0.00 C ATOM 476 CD LYS A 681 3.803 9.081 15.828 1.00 0.00 C ATOM 477 CE LYS A 681 4.526 8.288 16.905 1.00 0.00 C ATOM 478 NZ LYS A 681 5.564 9.103 17.592 1.00 0.00 N ATOM 0 H LYS A 681 -0.018 5.517 15.332 1.00 0.00 H new ATOM 0 HA LYS A 681 2.787 5.942 15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 681 1.727 7.525 13.617 1.00 0.00 H new ATOM 0 HB3 LYS A 681 1.409 8.528 15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 681 4.162 7.362 14.594 1.00 0.00 H new ATOM 0 HG3 LYS A 681 3.667 8.789 13.706 1.00 0.00 H new ATOM 0 HD2 LYS A 681 4.419 9.927 15.523 1.00 0.00 H new ATOM 0 HD3 LYS A 681 2.878 9.490 16.235 1.00 0.00 H new ATOM 0 HE2 LYS A 681 3.803 7.928 17.638 1.00 0.00 H new ATOM 0 HE3 LYS A 681 4.991 7.409 16.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 6.034 8.526 18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 6.268 9.425 16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.117 9.928 18.040 1.00 0.00 H new ATOM 492 N GLN A 682 0.751 5.919 17.583 1.00 0.00 N ATOM 493 CA GLN A 682 0.257 6.164 18.933 1.00 0.00 C ATOM 494 C GLN A 682 0.315 4.891 19.772 1.00 0.00 C ATOM 495 O GLN A 682 -0.541 4.659 20.625 1.00 0.00 O ATOM 496 CB GLN A 682 -1.178 6.692 18.886 1.00 0.00 C ATOM 497 CG GLN A 682 -1.290 8.097 18.319 1.00 0.00 C ATOM 498 CD GLN A 682 -2.721 8.480 17.990 1.00 0.00 C ATOM 499 OE1 GLN A 682 -3.305 7.978 17.030 1.00 0.00 O ATOM 500 NE2 GLN A 682 -3.291 9.376 18.787 1.00 0.00 N ATOM 0 H GLN A 682 0.575 4.977 17.234 1.00 0.00 H new ATOM 0 HA GLN A 682 0.898 6.914 19.397 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.785 6.016 18.284 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -1.594 6.681 19.894 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -0.883 8.809 19.038 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -0.681 8.171 17.418 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -2.769 9.766 19.572 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -4.251 9.674 18.615 1.00 0.00 H new ATOM 509 N ASN A 683 1.330 4.070 19.523 1.00 0.00 N ATOM 510 CA ASN A 683 1.500 2.821 20.256 1.00 0.00 C ATOM 511 C ASN A 683 0.297 1.905 20.056 1.00 0.00 C ATOM 512 O ASN A 683 0.093 1.005 20.897 1.00 0.00 O ATOM 513 CB ASN A 683 1.699 3.102 21.746 1.00 0.00 C ATOM 514 CG ASN A 683 2.742 4.174 21.997 1.00 0.00 C ATOM 515 OD1 ASN A 683 3.943 3.901 21.988 1.00 0.00 O ATOM 516 ND2 ASN A 683 2.288 5.401 22.224 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.431 2.094 19.059 1.00 0.00 O ATOM 0 H ASN A 683 2.047 4.247 18.819 1.00 0.00 H new ATOM 0 HA ASN A 683 2.386 2.319 19.867 1.00 0.00 H new ATOM 0 HB2 ASN A 683 0.750 3.412 22.185 1.00 0.00 H new ATOM 0 HB3 ASN A 683 1.998 2.183 22.250 1.00 0.00 H new ATOM 0 HD21 ASN A 683 2.943 6.163 22.400 1.00 0.00 H new ATOM 0 HD22 ASN A 683 1.284 5.582 22.222 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -2.672 -14.876 16.898 1.00 0.00 N ATOM 526 CA ARG B 405 -2.632 -15.406 15.509 1.00 0.00 C ATOM 527 C ARG B 405 -3.435 -14.522 14.558 1.00 0.00 C ATOM 528 O ARG B 405 -4.401 -13.877 14.965 1.00 0.00 O ATOM 529 CB ARG B 405 -3.197 -16.827 15.514 1.00 0.00 C ATOM 530 CG ARG B 405 -2.220 -17.870 16.031 1.00 0.00 C ATOM 531 CD ARG B 405 -1.485 -18.557 14.891 1.00 0.00 C ATOM 532 NE ARG B 405 -0.095 -18.847 15.232 1.00 0.00 N ATOM 533 CZ ARG B 405 0.275 -19.758 16.130 1.00 0.00 C ATOM 534 NH1 ARG B 405 -0.639 -20.469 16.778 1.00 0.00 N ATOM 535 NH2 ARG B 405 1.562 -19.958 16.380 1.00 0.00 N ATOM 0 HA ARG B 405 -1.600 -15.413 15.157 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -4.097 -16.849 16.128 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -3.497 -17.093 14.500 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -1.499 -17.396 16.697 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -2.757 -18.614 16.620 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -1.997 -19.485 14.637 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -1.516 -17.923 14.005 1.00 0.00 H new ATOM 0 HE ARG B 405 0.636 -18.320 14.754 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -1.630 -20.319 16.589 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -0.350 -21.166 17.465 1.00 0.00 H new ATOM 0 HH21 ARG B 405 2.268 -19.414 15.884 1.00 0.00 H new ATOM 0 HH22 ARG B 405 1.845 -20.656 17.068 1.00 0.00 H new ATOM 550 N PRO B 406 -3.046 -14.483 13.272 1.00 0.00 N ATOM 551 CA PRO B 406 -3.735 -13.673 12.263 1.00 0.00 C ATOM 552 C PRO B 406 -5.118 -14.222 11.926 1.00 0.00 C ATOM 553 O PRO B 406 -5.411 -15.391 12.184 1.00 0.00 O ATOM 554 CB PRO B 406 -2.813 -13.761 11.046 1.00 0.00 C ATOM 555 CG PRO B 406 -2.076 -15.044 11.220 1.00 0.00 C ATOM 556 CD PRO B 406 -1.903 -15.223 12.704 1.00 0.00 C ATOM 0 HA PRO B 406 -3.910 -12.654 12.608 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -3.383 -13.755 10.117 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -2.128 -12.914 11.006 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -2.633 -15.876 10.789 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -1.110 -15.011 10.715 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -1.925 -16.275 12.987 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -0.951 -14.819 13.049 1.00 0.00 H new ATOM 564 N PRO B 407 -5.991 -13.384 11.340 1.00 0.00 N ATOM 565 CA PRO B 407 -7.349 -13.792 10.967 1.00 0.00 C ATOM 566 C PRO B 407 -7.362 -15.064 10.123 1.00 0.00 C ATOM 567 O PRO B 407 -6.379 -15.385 9.454 1.00 0.00 O ATOM 568 CB PRO B 407 -7.866 -12.605 10.151 1.00 0.00 C ATOM 569 CG PRO B 407 -7.080 -11.439 10.640 1.00 0.00 C ATOM 570 CD PRO B 407 -5.722 -11.975 10.996 1.00 0.00 C ATOM 0 HA PRO B 407 -7.958 -14.024 11.841 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -7.716 -12.764 9.083 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -8.935 -12.455 10.304 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -7.006 -10.669 9.873 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -7.558 -10.982 11.506 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -5.025 -11.891 10.162 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -5.283 -11.433 11.834 1.00 0.00 H new ATOM 578 N PRO B 408 -8.480 -15.810 10.145 1.00 0.00 N ATOM 579 CA PRO B 408 -8.615 -17.052 9.378 1.00 0.00 C ATOM 580 C PRO B 408 -8.697 -16.799 7.876 1.00 0.00 C ATOM 581 O PRO B 408 -8.062 -17.495 7.083 1.00 0.00 O ATOM 582 CB PRO B 408 -9.927 -17.648 9.892 1.00 0.00 C ATOM 583 CG PRO B 408 -10.708 -16.477 10.380 1.00 0.00 C ATOM 584 CD PRO B 408 -9.699 -15.500 10.916 1.00 0.00 C ATOM 0 HA PRO B 408 -7.754 -17.707 9.510 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -10.459 -18.177 9.101 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -9.749 -18.367 10.692 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -11.291 -16.033 9.573 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -11.413 -16.774 11.156 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -10.019 -14.469 10.765 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -9.542 -15.631 11.987 1.00 0.00 H new ATOM 592 N ALA B 409 -9.483 -15.798 7.492 1.00 0.00 N ATOM 593 CA ALA B 409 -9.647 -15.453 6.085 1.00 0.00 C ATOM 594 C ALA B 409 -10.115 -14.011 5.925 1.00 0.00 C ATOM 595 O ALA B 409 -11.314 -13.738 5.876 1.00 0.00 O ATOM 596 CB ALA B 409 -10.630 -16.406 5.421 1.00 0.00 C ATOM 0 H ALA B 409 -10.016 -15.212 8.135 1.00 0.00 H new ATOM 0 HA ALA B 409 -8.677 -15.549 5.596 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -10.744 -16.138 4.371 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -10.255 -17.427 5.496 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -11.597 -16.337 5.920 1.00 0.00 H new ATOM 602 N HIS B 410 -9.159 -13.091 5.843 1.00 0.00 N ATOM 603 CA HIS B 410 -9.473 -11.676 5.687 1.00 0.00 C ATOM 604 C HIS B 410 -9.218 -11.215 4.256 1.00 0.00 C ATOM 605 O HIS B 410 -8.821 -10.074 4.022 1.00 0.00 O ATOM 606 CB HIS B 410 -8.641 -10.837 6.660 1.00 0.00 C ATOM 607 CG HIS B 410 -9.351 -9.615 7.156 1.00 0.00 C ATOM 608 ND1 HIS B 410 -10.540 -9.166 6.621 1.00 0.00 N ATOM 609 CD2 HIS B 410 -9.034 -8.747 8.146 1.00 0.00 C ATOM 610 CE1 HIS B 410 -10.923 -8.074 7.258 1.00 0.00 C ATOM 611 NE2 HIS B 410 -10.027 -7.800 8.188 1.00 0.00 N ATOM 0 H HIS B 410 -8.161 -13.300 5.882 1.00 0.00 H new ATOM 0 HA HIS B 410 -10.531 -11.539 5.911 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -8.361 -11.456 7.513 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -7.716 -10.535 6.168 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -8.163 -8.791 8.783 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -11.816 -7.503 7.053 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -10.066 -7.012 8.834 1.00 0.00 H new ATOM 620 N HIS B 411 -9.451 -12.112 3.302 1.00 0.00 N ATOM 621 CA HIS B 411 -9.249 -11.801 1.890 1.00 0.00 C ATOM 622 C HIS B 411 -7.777 -11.516 1.600 1.00 0.00 C ATOM 623 O HIS B 411 -7.060 -12.375 1.087 1.00 0.00 O ATOM 624 CB HIS B 411 -10.108 -10.603 1.479 1.00 0.00 C ATOM 625 CG HIS B 411 -11.424 -10.987 0.881 1.00 0.00 C ATOM 626 ND1 HIS B 411 -11.577 -11.334 -0.445 1.00 0.00 N ATOM 627 CD2 HIS B 411 -12.657 -11.080 1.435 1.00 0.00 C ATOM 628 CE1 HIS B 411 -12.844 -11.623 -0.680 1.00 0.00 C ATOM 629 NE2 HIS B 411 -13.520 -11.477 0.444 1.00 0.00 N ATOM 0 H HIS B 411 -9.780 -13.061 3.481 1.00 0.00 H new ATOM 0 HA HIS B 411 -9.552 -12.670 1.306 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -10.285 -9.976 2.353 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -9.554 -9.999 0.760 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -12.913 -10.879 2.465 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -13.257 -11.927 -1.631 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -14.521 -11.634 0.558 1.00 0.00 H new ATOM 638 N ASN B 412 -7.334 -10.308 1.930 1.00 0.00 N ATOM 639 CA ASN B 412 -5.949 -9.913 1.705 1.00 0.00 C ATOM 640 C ASN B 412 -5.059 -10.365 2.858 1.00 0.00 C ATOM 641 O ASN B 412 -5.548 -10.847 3.879 1.00 0.00 O ATOM 642 CB ASN B 412 -5.851 -8.396 1.533 1.00 0.00 C ATOM 643 CG ASN B 412 -4.805 -7.996 0.511 1.00 0.00 C ATOM 644 OD1 ASN B 412 -4.520 -8.741 -0.426 1.00 0.00 O ATOM 645 ND2 ASN B 412 -4.227 -6.813 0.687 1.00 0.00 N ATOM 0 H ASN B 412 -7.915 -9.585 2.355 1.00 0.00 H new ATOM 0 HA ASN B 412 -5.603 -10.398 0.792 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -6.821 -8.004 1.228 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -5.610 -7.939 2.493 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -3.516 -6.490 0.031 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -4.494 -6.228 1.478 1.00 0.00 H new ATOM 652 N MET B 413 -3.752 -10.206 2.686 1.00 0.00 N ATOM 653 CA MET B 413 -2.793 -10.598 3.713 1.00 0.00 C ATOM 654 C MET B 413 -2.244 -9.375 4.441 1.00 0.00 C ATOM 655 O MET B 413 -2.184 -9.347 5.670 1.00 0.00 O ATOM 656 CB MET B 413 -1.644 -11.393 3.091 1.00 0.00 C ATOM 657 CG MET B 413 -2.027 -12.810 2.695 1.00 0.00 C ATOM 658 SD MET B 413 -0.601 -13.904 2.564 1.00 0.00 S ATOM 659 CE MET B 413 -0.481 -14.508 4.245 1.00 0.00 C ATOM 0 H MET B 413 -3.332 -9.809 1.846 1.00 0.00 H new ATOM 0 HA MET B 413 -3.311 -11.227 4.437 1.00 0.00 H new ATOM 0 HB2 MET B 413 -1.283 -10.864 2.209 1.00 0.00 H new ATOM 0 HB3 MET B 413 -0.817 -11.434 3.799 1.00 0.00 H new ATOM 0 HG2 MET B 413 -2.723 -13.213 3.431 1.00 0.00 H new ATOM 0 HG3 MET B 413 -2.551 -12.787 1.740 1.00 0.00 H new ATOM 0 HE1 MET B 413 0.358 -15.199 4.324 1.00 0.00 H new ATOM 0 HE2 MET B 413 -0.325 -13.669 4.923 1.00 0.00 H new ATOM 0 HE3 MET B 413 -1.403 -15.024 4.513 1.00 0.00 H new ATOM 669 N PHE B 414 -1.848 -8.365 3.674 1.00 0.00 N ATOM 670 CA PHE B 414 -1.305 -7.138 4.247 1.00 0.00 C ATOM 671 C PHE B 414 -0.045 -7.426 5.061 1.00 0.00 C ATOM 672 O PHE B 414 0.288 -6.687 5.987 1.00 0.00 O ATOM 673 CB PHE B 414 -2.355 -6.456 5.126 1.00 0.00 C ATOM 674 CG PHE B 414 -2.366 -4.957 5.003 1.00 0.00 C ATOM 675 CD1 PHE B 414 -2.927 -4.341 3.895 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.817 -4.164 5.998 1.00 0.00 C ATOM 677 CE1 PHE B 414 -2.940 -2.967 3.783 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.827 -2.786 5.890 1.00 0.00 C ATOM 679 CZ PHE B 414 -2.389 -2.187 4.781 1.00 0.00 C ATOM 0 H PHE B 414 -1.893 -8.371 2.655 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.037 -6.470 3.429 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -3.341 -6.840 4.864 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.175 -6.725 6.167 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -3.359 -4.945 3.110 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -1.376 -4.628 6.868 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -3.381 -2.500 2.915 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.396 -2.179 6.672 1.00 0.00 H new ATOM 0 HZ PHE B 414 -2.398 -1.111 4.694 1.00 0.00 H new ATOM 689 N SER B 415 0.654 -8.502 4.706 1.00 0.00 N ATOM 690 CA SER B 415 1.878 -8.884 5.401 1.00 0.00 C ATOM 691 C SER B 415 3.040 -7.982 4.975 1.00 0.00 C ATOM 692 O SER B 415 2.829 -6.821 4.625 1.00 0.00 O ATOM 693 CB SER B 415 2.201 -10.357 5.122 1.00 0.00 C ATOM 694 OG SER B 415 2.692 -10.534 3.806 1.00 0.00 O ATOM 0 H SER B 415 0.392 -9.124 3.941 1.00 0.00 H new ATOM 0 HA SER B 415 1.729 -8.759 6.473 1.00 0.00 H new ATOM 0 HB2 SER B 415 2.941 -10.712 5.840 1.00 0.00 H new ATOM 0 HB3 SER B 415 1.305 -10.961 5.263 1.00 0.00 H new ATOM 0 HG SER B 415 2.891 -11.482 3.656 1.00 0.00 H new ATOM 700 N VAL B 416 4.265 -8.510 5.007 1.00 0.00 N ATOM 701 CA VAL B 416 5.437 -7.726 4.622 1.00 0.00 C ATOM 702 C VAL B 416 6.118 -8.305 3.378 1.00 0.00 C ATOM 703 O VAL B 416 7.309 -8.621 3.400 1.00 0.00 O ATOM 704 CB VAL B 416 6.464 -7.640 5.768 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.471 -6.532 5.499 1.00 0.00 C ATOM 706 CG2 VAL B 416 5.765 -7.418 7.102 1.00 0.00 C ATOM 0 H VAL B 416 4.469 -9.468 5.293 1.00 0.00 H new ATOM 0 HA VAL B 416 5.076 -6.723 4.394 1.00 0.00 H new ATOM 0 HB VAL B 416 7.001 -8.587 5.819 1.00 0.00 H new ATOM 0 HG11 VAL B 416 8.188 -6.486 6.318 1.00 0.00 H new ATOM 0 HG12 VAL B 416 7.997 -6.737 4.567 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.950 -5.578 5.419 1.00 0.00 H new ATOM 0 HG21 VAL B 416 6.508 -7.360 7.897 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.199 -6.487 7.066 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.086 -8.248 7.300 1.00 0.00 H new ATOM 716 N PRO B 417 5.370 -8.433 2.268 1.00 0.00 N ATOM 717 CA PRO B 417 5.900 -8.955 1.002 1.00 0.00 C ATOM 718 C PRO B 417 6.870 -7.975 0.351 1.00 0.00 C ATOM 719 O PRO B 417 6.760 -6.766 0.554 1.00 0.00 O ATOM 720 CB PRO B 417 4.651 -9.124 0.135 1.00 0.00 C ATOM 721 CG PRO B 417 3.688 -8.125 0.671 1.00 0.00 C ATOM 722 CD PRO B 417 3.947 -8.060 2.151 1.00 0.00 C ATOM 0 HA PRO B 417 6.463 -9.878 1.139 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.870 -8.940 -0.917 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.253 -10.136 0.205 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.835 -7.151 0.205 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.660 -8.424 0.467 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.760 -7.062 2.548 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.305 -8.748 2.701 1.00 0.00 H new ATOM 730 N PRO B 418 7.840 -8.468 -0.438 1.00 0.00 N ATOM 731 CA PRO B 418 8.814 -7.593 -1.094 1.00 0.00 C ATOM 732 C PRO B 418 8.106 -6.573 -1.980 1.00 0.00 C ATOM 733 O PRO B 418 7.112 -6.894 -2.633 1.00 0.00 O ATOM 734 CB PRO B 418 9.653 -8.555 -1.942 1.00 0.00 C ATOM 735 CG PRO B 418 9.459 -9.894 -1.316 1.00 0.00 C ATOM 736 CD PRO B 418 8.068 -9.889 -0.745 1.00 0.00 C ATOM 0 HA PRO B 418 9.413 -7.020 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.324 -8.554 -2.981 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.704 -8.268 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO B 418 9.575 -10.689 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO B 418 10.200 -10.071 -0.536 1.00 0.00 H new ATOM 0 HD2 PRO B 418 7.338 -10.270 -1.459 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.996 -10.511 0.147 1.00 0.00 H new ATOM 744 N PRO B 419 8.573 -5.313 -1.978 1.00 0.00 N ATOM 745 CA PRO B 419 7.932 -4.245 -2.753 1.00 0.00 C ATOM 746 C PRO B 419 8.106 -4.367 -4.267 1.00 0.00 C ATOM 747 O PRO B 419 9.198 -4.654 -4.760 1.00 0.00 O ATOM 748 CB PRO B 419 8.638 -2.983 -2.255 1.00 0.00 C ATOM 749 CG PRO B 419 9.957 -3.451 -1.746 1.00 0.00 C ATOM 750 CD PRO B 419 9.720 -4.824 -1.192 1.00 0.00 C ATOM 0 HA PRO B 419 6.852 -4.264 -2.607 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.761 -2.257 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.063 -2.494 -1.469 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.698 -3.475 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.339 -2.780 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.594 -5.464 -1.315 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.494 -4.794 -0.126 1.00 0.00 H new ATOM 758 N PRO B 420 7.018 -4.117 -5.022 1.00 0.00 N ATOM 759 CA PRO B 420 7.028 -4.163 -6.486 1.00 0.00 C ATOM 760 C PRO B 420 7.681 -2.931 -7.123 1.00 0.00 C ATOM 761 O PRO B 420 8.609 -3.058 -7.921 1.00 0.00 O ATOM 762 CB PRO B 420 5.544 -4.228 -6.846 1.00 0.00 C ATOM 763 CG PRO B 420 4.843 -3.545 -5.723 1.00 0.00 C ATOM 764 CD PRO B 420 5.687 -3.765 -4.493 1.00 0.00 C ATOM 0 HA PRO B 420 7.614 -5.004 -6.856 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.346 -3.730 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO B 420 5.208 -5.260 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.727 -2.481 -5.928 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.842 -3.954 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.729 -2.869 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.283 -4.563 -3.871 1.00 0.00 H new ATOM 772 N ILE B 421 7.175 -1.738 -6.785 1.00 0.00 N ATOM 773 CA ILE B 421 7.701 -0.494 -7.355 1.00 0.00 C ATOM 774 C ILE B 421 8.744 0.161 -6.446 1.00 0.00 C ATOM 775 O ILE B 421 9.215 -0.449 -5.486 1.00 0.00 O ATOM 776 CB ILE B 421 6.558 0.513 -7.709 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.314 1.550 -6.585 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.278 -0.246 -8.044 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.849 1.852 -6.295 1.00 0.00 C ATOM 0 H ILE B 421 6.408 -1.609 -6.125 1.00 0.00 H new ATOM 0 HA ILE B 421 8.202 -0.768 -8.283 1.00 0.00 H new ATOM 0 HB ILE B 421 6.876 1.078 -8.585 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.783 1.189 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.815 2.480 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.488 0.464 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.456 -0.900 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.974 -0.844 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.781 2.588 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.374 2.248 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.342 0.936 -5.990 1.00 0.00 H new ATOM 791 N LEU B 422 9.105 1.401 -6.762 1.00 0.00 N ATOM 792 CA LEU B 422 10.094 2.133 -5.979 1.00 0.00 C ATOM 793 C LEU B 422 10.307 3.529 -6.553 1.00 0.00 C ATOM 794 O LEU B 422 11.429 4.036 -6.583 1.00 0.00 O ATOM 795 CB LEU B 422 11.420 1.372 -5.947 1.00 0.00 C ATOM 796 CG LEU B 422 11.899 0.851 -7.304 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.678 1.926 -8.044 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.751 -0.397 -7.122 1.00 0.00 C ATOM 0 H LEU B 422 8.727 1.920 -7.555 1.00 0.00 H new ATOM 0 HA LEU B 422 9.719 2.229 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.188 2.027 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.321 0.528 -5.265 1.00 0.00 H new ATOM 0 HG LEU B 422 11.026 0.589 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.010 1.537 -9.006 1.00 0.00 H new ATOM 0 HD12 LEU B 422 12.038 2.794 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.545 2.219 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU B 422 13.084 -0.755 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.619 -0.159 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.161 -1.172 -6.632 1.00 0.00 H new ATOM 810 N GLY B 423 9.223 4.146 -7.010 1.00 0.00 N ATOM 811 CA GLY B 423 9.311 5.475 -7.581 1.00 0.00 C ATOM 812 C GLY B 423 9.025 6.563 -6.565 1.00 0.00 C ATOM 813 O GLY B 423 8.892 6.288 -5.372 1.00 0.00 O ATOM 0 H GLY B 423 8.284 3.748 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.308 5.623 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.605 5.559 -8.407 1.00 0.00 H new ATOM 817 N ARG B 424 8.932 7.801 -7.037 1.00 0.00 N ATOM 818 CA ARG B 424 8.660 8.936 -6.162 1.00 0.00 C ATOM 819 C ARG B 424 7.159 9.124 -5.965 1.00 0.00 C ATOM 820 O ARG B 424 6.353 8.351 -6.484 1.00 0.00 O ATOM 821 CB ARG B 424 9.274 10.211 -6.739 1.00 0.00 C ATOM 822 CG ARG B 424 10.784 10.139 -6.904 1.00 0.00 C ATOM 823 CD ARG B 424 11.170 9.601 -8.271 1.00 0.00 C ATOM 824 NE ARG B 424 12.408 10.198 -8.766 1.00 0.00 N ATOM 825 CZ ARG B 424 12.781 10.179 -10.044 1.00 0.00 C ATOM 826 NH1 ARG B 424 12.017 9.595 -10.958 1.00 0.00 N ATOM 827 NH2 ARG B 424 13.923 10.746 -10.408 1.00 0.00 N ATOM 0 H ARG B 424 9.041 8.045 -8.021 1.00 0.00 H new ATOM 0 HA ARG B 424 9.113 8.731 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG B 424 8.820 10.416 -7.709 1.00 0.00 H new ATOM 0 HB3 ARG B 424 9.028 11.050 -6.088 1.00 0.00 H new ATOM 0 HG2 ARG B 424 11.214 11.132 -6.768 1.00 0.00 H new ATOM 0 HG3 ARG B 424 11.206 9.500 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG B 424 11.287 8.519 -8.215 1.00 0.00 H new ATOM 0 HD3 ARG B 424 10.365 9.798 -8.979 1.00 0.00 H new ATOM 0 HE ARG B 424 13.023 10.656 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG B 424 11.138 9.157 -10.683 1.00 0.00 H new ATOM 0 HH12 ARG B 424 12.309 9.584 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG B 424 14.514 11.196 -9.709 1.00 0.00 H new ATOM 0 HH22 ARG B 424 14.210 10.732 -11.387 1.00 0.00 H new ATOM 841 N GLY B 425 6.791 10.155 -5.212 1.00 0.00 N ATOM 842 CA GLY B 425 5.388 10.426 -4.960 1.00 0.00 C ATOM 843 C GLY B 425 4.765 9.424 -4.009 1.00 0.00 C ATOM 844 O GLY B 425 5.219 9.345 -2.848 1.00 0.00 O ATOM 845 OXT GLY B 425 3.823 8.717 -4.425 1.00 0.00 O ATOM 0 H GLY B 425 7.439 10.808 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY B 425 5.284 11.429 -4.546 1.00 0.00 H new ATOM 0 HA3 GLY B 425 4.843 10.413 -5.904 1.00 0.00 H new TER 849 GLY B 425