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 39:sc= -5.05! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot -151:sc= -5.81! USER MOD Single : A 662 TYR OH : rot -120:sc= 0.473 USER MOD Single : A 664 SER OG : rot -34:sc= 1.18 USER MOD Single : A 667 LYS NZ :NH3+ -129:sc= -0.466 (180deg=-2.16!) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 63:sc= -1.01! USER MOD Single : A 679 LYS NZ :NH3+ -178:sc= -0.11 (180deg=-0.123) USER MOD Single : A 680 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.77) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 683 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.0019) USER MOD Single : B 410 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.24) USER MOD Single : B 411 HIS : no HD1:sc= -0.0838 K(o=-0.084,f=-0.7) USER MOD Single : B 412 ASN : amide: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= -1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 6.559 2.713 15.947 1.00 0.00 N ATOM 2 CA GLY A 651 5.679 3.567 15.103 1.00 0.00 C ATOM 3 C GLY A 651 5.431 2.969 13.732 1.00 0.00 C ATOM 4 O GLY A 651 4.399 3.226 13.112 1.00 0.00 O ATOM 0 HA2 GLY A 651 4.725 3.713 15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 651 6.134 4.551 14.990 1.00 0.00 H new ATOM 9 N ALA A 652 6.381 2.169 13.258 1.00 0.00 N ATOM 10 CA ALA A 652 6.264 1.531 11.952 1.00 0.00 C ATOM 11 C ALA A 652 6.220 2.570 10.835 1.00 0.00 C ATOM 12 O ALA A 652 7.232 2.846 10.191 1.00 0.00 O ATOM 13 CB ALA A 652 5.028 0.642 11.904 1.00 0.00 C ATOM 0 H ALA A 652 7.241 1.947 13.760 1.00 0.00 H new ATOM 0 HA ALA A 652 7.147 0.910 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 652 4.955 0.173 10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.105 -0.130 12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.139 1.245 12.085 1.00 0.00 H new ATOM 19 N ASP A 653 5.040 3.143 10.607 1.00 0.00 N ATOM 20 CA ASP A 653 4.864 4.151 9.565 1.00 0.00 C ATOM 21 C ASP A 653 5.426 3.665 8.233 1.00 0.00 C ATOM 22 O ASP A 653 6.512 4.070 7.819 1.00 0.00 O ATOM 23 CB ASP A 653 5.540 5.461 9.972 1.00 0.00 C ATOM 24 CG ASP A 653 4.603 6.386 10.724 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.481 6.625 10.230 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.992 6.871 11.807 1.00 0.00 O ATOM 0 H ASP A 653 4.192 2.926 11.130 1.00 0.00 H new ATOM 0 HA ASP A 653 3.795 4.326 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 653 6.407 5.241 10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.909 5.968 9.081 1.00 0.00 H new ATOM 31 N TYR A 654 4.679 2.789 7.573 1.00 0.00 N ATOM 32 CA TYR A 654 5.101 2.238 6.286 1.00 0.00 C ATOM 33 C TYR A 654 3.978 2.267 5.252 1.00 0.00 C ATOM 34 O TYR A 654 4.235 2.172 4.053 1.00 0.00 O ATOM 35 CB TYR A 654 5.630 0.805 6.458 1.00 0.00 C ATOM 36 CG TYR A 654 4.633 -0.195 7.030 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.467 0.216 7.676 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.870 -1.564 6.929 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.581 -0.695 8.196 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.980 -2.484 7.448 1.00 0.00 C ATOM 41 CZ TYR A 654 2.837 -2.045 8.082 1.00 0.00 C ATOM 42 OH TYR A 654 1.949 -2.958 8.602 1.00 0.00 O ATOM 0 H TYR A 654 3.779 2.443 7.905 1.00 0.00 H new ATOM 0 HA TYR A 654 5.905 2.872 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.967 0.441 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.504 0.834 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.257 1.271 7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.766 -1.912 6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.685 -0.355 8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.178 -3.542 7.358 1.00 0.00 H new ATOM 0 HH TYR A 654 2.278 -3.866 8.436 1.00 0.00 H new ATOM 52 N SER A 655 2.738 2.410 5.712 1.00 0.00 N ATOM 53 CA SER A 655 1.585 2.459 4.818 1.00 0.00 C ATOM 54 C SER A 655 1.804 3.456 3.687 1.00 0.00 C ATOM 55 O SER A 655 1.234 3.315 2.610 1.00 0.00 O ATOM 56 CB SER A 655 0.332 2.832 5.608 1.00 0.00 C ATOM 57 OG SER A 655 0.664 3.508 6.809 1.00 0.00 O ATOM 0 H SER A 655 2.506 2.494 6.702 1.00 0.00 H new ATOM 0 HA SER A 655 1.456 1.471 4.376 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.311 3.466 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.236 1.931 5.840 1.00 0.00 H new ATOM 0 HG SER A 655 1.414 4.117 6.645 1.00 0.00 H new ATOM 63 N ALA A 656 2.628 4.466 3.930 1.00 0.00 N ATOM 64 CA ALA A 656 2.897 5.469 2.910 1.00 0.00 C ATOM 65 C ALA A 656 3.566 4.842 1.710 1.00 0.00 C ATOM 66 O ALA A 656 2.996 4.791 0.619 1.00 0.00 O ATOM 67 CB ALA A 656 3.766 6.586 3.461 1.00 0.00 C ATOM 0 H ALA A 656 3.116 4.612 4.814 1.00 0.00 H new ATOM 0 HA ALA A 656 1.942 5.893 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.952 7.322 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.256 7.065 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.715 6.173 3.804 1.00 0.00 H new ATOM 73 N GLN A 657 4.775 4.354 1.918 1.00 0.00 N ATOM 74 CA GLN A 657 5.509 3.717 0.841 1.00 0.00 C ATOM 75 C GLN A 657 4.863 2.383 0.509 1.00 0.00 C ATOM 76 O GLN A 657 4.995 1.873 -0.599 1.00 0.00 O ATOM 77 CB GLN A 657 6.989 3.509 1.196 1.00 0.00 C ATOM 78 CG GLN A 657 7.419 4.178 2.486 1.00 0.00 C ATOM 79 CD GLN A 657 8.925 4.312 2.604 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.478 5.398 2.428 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.596 3.206 2.903 1.00 0.00 N ATOM 0 H GLN A 657 5.265 4.386 2.812 1.00 0.00 H new ATOM 0 HA GLN A 657 5.472 4.377 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.186 2.440 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.604 3.890 0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.965 5.167 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.042 3.602 3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.096 2.328 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.611 3.235 2.995 1.00 0.00 H new ATOM 90 N TRP A 658 4.158 1.820 1.486 1.00 0.00 N ATOM 91 CA TRP A 658 3.488 0.546 1.296 1.00 0.00 C ATOM 92 C TRP A 658 2.240 0.730 0.454 1.00 0.00 C ATOM 93 O TRP A 658 1.891 -0.137 -0.348 1.00 0.00 O ATOM 94 CB TRP A 658 3.130 -0.084 2.642 1.00 0.00 C ATOM 95 CG TRP A 658 4.183 -1.009 3.176 1.00 0.00 C ATOM 96 CD1 TRP A 658 4.005 -1.989 4.108 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.571 -1.056 2.805 1.00 0.00 C ATOM 98 NE1 TRP A 658 5.190 -2.642 4.341 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.165 -2.088 3.555 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.370 -0.330 1.916 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.514 -2.410 3.442 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.710 -0.652 1.805 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.269 -1.684 2.564 1.00 0.00 C ATOM 0 H TRP A 658 4.038 2.228 2.413 1.00 0.00 H new ATOM 0 HA TRP A 658 4.170 -0.125 0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.954 0.709 3.369 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.195 -0.634 2.538 1.00 0.00 H new ATOM 0 HD1 TRP A 658 3.067 -2.218 4.593 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.323 -3.415 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.947 0.469 1.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.949 -3.206 4.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.335 -0.097 1.121 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.319 -1.912 2.454 1.00 0.00 H new ATOM 114 N ALA A 659 1.576 1.868 0.619 1.00 0.00 N ATOM 115 CA ALA A 659 0.385 2.144 -0.158 1.00 0.00 C ATOM 116 C ALA A 659 0.772 2.425 -1.602 1.00 0.00 C ATOM 117 O ALA A 659 0.001 2.160 -2.523 1.00 0.00 O ATOM 118 CB ALA A 659 -0.395 3.312 0.430 1.00 0.00 C ATOM 0 H ALA A 659 1.841 2.602 1.276 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.264 1.269 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.284 3.497 -0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.693 3.073 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.232 4.203 0.434 1.00 0.00 H new ATOM 124 N GLU A 660 1.989 2.944 -1.797 1.00 0.00 N ATOM 125 CA GLU A 660 2.481 3.234 -3.139 1.00 0.00 C ATOM 126 C GLU A 660 2.394 1.985 -3.996 1.00 0.00 C ATOM 127 O GLU A 660 2.138 2.053 -5.199 1.00 0.00 O ATOM 128 CB GLU A 660 3.927 3.755 -3.108 1.00 0.00 C ATOM 129 CG GLU A 660 4.988 2.669 -3.212 1.00 0.00 C ATOM 130 CD GLU A 660 6.315 3.090 -2.611 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.646 4.292 -2.687 1.00 0.00 O ATOM 132 OE2 GLU A 660 7.023 2.219 -2.063 1.00 0.00 O ATOM 0 H GLU A 660 2.643 3.169 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 660 1.856 4.016 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.064 4.460 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.081 4.309 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.633 1.770 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.134 2.409 -4.260 1.00 0.00 H new ATOM 139 N TYR A 661 2.597 0.838 -3.358 1.00 0.00 N ATOM 140 CA TYR A 661 2.527 -0.432 -4.054 1.00 0.00 C ATOM 141 C TYR A 661 1.112 -0.671 -4.532 1.00 0.00 C ATOM 142 O TYR A 661 0.828 -0.704 -5.727 1.00 0.00 O ATOM 143 CB TYR A 661 2.938 -1.567 -3.122 1.00 0.00 C ATOM 144 CG TYR A 661 4.425 -1.737 -3.002 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.190 -2.025 -4.118 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.062 -1.607 -1.776 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.552 -2.181 -4.026 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.429 -1.761 -1.666 1.00 0.00 C ATOM 149 CZ TYR A 661 7.171 -2.047 -2.792 1.00 0.00 C ATOM 150 OH TYR A 661 8.532 -2.199 -2.680 1.00 0.00 O ATOM 0 H TYR A 661 2.810 0.766 -2.363 1.00 0.00 H new ATOM 0 HA TYR A 661 3.206 -0.403 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.521 -1.382 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.502 -2.498 -3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.708 -2.129 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.479 -1.382 -0.895 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.135 -2.406 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 661 6.913 -1.658 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 661 8.752 -2.530 -1.784 1.00 0.00 H new ATOM 160 N TYR A 662 0.229 -0.832 -3.567 1.00 0.00 N ATOM 161 CA TYR A 662 -1.177 -1.074 -3.828 1.00 0.00 C ATOM 162 C TYR A 662 -1.782 0.029 -4.678 1.00 0.00 C ATOM 163 O TYR A 662 -2.831 -0.158 -5.290 1.00 0.00 O ATOM 164 CB TYR A 662 -1.903 -1.215 -2.498 1.00 0.00 C ATOM 165 CG TYR A 662 -1.149 -2.116 -1.559 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.077 -3.481 -1.783 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.471 -1.589 -0.475 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.352 -4.300 -0.944 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.249 -2.393 0.374 1.00 0.00 C ATOM 170 CZ TYR A 662 0.310 -3.752 0.138 1.00 0.00 C ATOM 171 OH TYR A 662 1.033 -4.565 0.981 1.00 0.00 O ATOM 0 H TYR A 662 0.467 -0.799 -2.576 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.285 -1.997 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.027 -0.233 -2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.902 -1.616 -2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.596 -3.910 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.508 -0.525 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.302 -5.362 -1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.764 -1.965 1.221 1.00 0.00 H new ATOM 0 HH TYR A 662 0.674 -4.495 1.890 1.00 0.00 H new ATOM 181 N ARG A 663 -1.111 1.173 -4.734 1.00 0.00 N ATOM 182 CA ARG A 663 -1.598 2.277 -5.538 1.00 0.00 C ATOM 183 C ARG A 663 -1.208 2.097 -7.002 1.00 0.00 C ATOM 184 O ARG A 663 -1.563 2.915 -7.851 1.00 0.00 O ATOM 185 CB ARG A 663 -1.066 3.612 -5.011 1.00 0.00 C ATOM 186 CG ARG A 663 -2.135 4.481 -4.366 1.00 0.00 C ATOM 187 CD ARG A 663 -1.913 4.625 -2.870 1.00 0.00 C ATOM 188 NE ARG A 663 -0.834 5.559 -2.564 1.00 0.00 N ATOM 189 CZ ARG A 663 -0.966 6.884 -2.603 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.128 7.431 -2.936 1.00 0.00 N ATOM 191 NH2 ARG A 663 0.068 7.662 -2.310 1.00 0.00 N ATOM 0 H ARG A 663 -0.239 1.356 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.686 2.285 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.279 3.418 -4.282 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.610 4.162 -5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.132 5.467 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.117 4.045 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.834 4.968 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.680 3.650 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 663 0.075 5.175 -2.305 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.925 6.836 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -2.224 8.446 -2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.964 7.246 -2.055 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.033 8.677 -2.340 1.00 0.00 H new ATOM 205 N SER A 664 -0.478 1.022 -7.299 1.00 0.00 N ATOM 206 CA SER A 664 -0.056 0.757 -8.665 1.00 0.00 C ATOM 207 C SER A 664 0.351 -0.699 -8.873 1.00 0.00 C ATOM 208 O SER A 664 0.972 -1.034 -9.883 1.00 0.00 O ATOM 209 CB SER A 664 1.091 1.683 -9.042 1.00 0.00 C ATOM 210 OG SER A 664 1.606 1.368 -10.324 1.00 0.00 O ATOM 0 H SER A 664 -0.171 0.329 -6.616 1.00 0.00 H new ATOM 0 HA SER A 664 -0.910 0.948 -9.315 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.746 2.717 -9.030 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.885 1.604 -8.299 1.00 0.00 H new ATOM 0 HG SER A 664 1.550 0.401 -10.470 1.00 0.00 H new ATOM 216 N VAL A 665 -0.020 -1.570 -7.940 1.00 0.00 N ATOM 217 CA VAL A 665 0.292 -2.986 -8.069 1.00 0.00 C ATOM 218 C VAL A 665 -0.980 -3.784 -8.336 1.00 0.00 C ATOM 219 O VAL A 665 -0.921 -4.955 -8.711 1.00 0.00 O ATOM 220 CB VAL A 665 1.021 -3.559 -6.827 1.00 0.00 C ATOM 221 CG1 VAL A 665 2.277 -2.754 -6.523 1.00 0.00 C ATOM 222 CG2 VAL A 665 0.096 -3.612 -5.613 1.00 0.00 C ATOM 0 H VAL A 665 -0.533 -1.322 -7.094 1.00 0.00 H new ATOM 0 HA VAL A 665 0.975 -3.080 -8.913 1.00 0.00 H new ATOM 0 HB VAL A 665 1.318 -4.582 -7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 665 2.774 -3.172 -5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 665 2.952 -2.796 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 665 2.006 -1.717 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 665 0.639 -4.019 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -0.252 -2.606 -5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -0.760 -4.249 -5.835 1.00 0.00 H new ATOM 232 N GLY A 666 -2.136 -3.135 -8.162 1.00 0.00 N ATOM 233 CA GLY A 666 -3.399 -3.806 -8.415 1.00 0.00 C ATOM 234 C GLY A 666 -4.360 -3.745 -7.245 1.00 0.00 C ATOM 235 O GLY A 666 -4.975 -4.751 -6.893 1.00 0.00 O ATOM 0 H GLY A 666 -2.216 -2.166 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.872 -3.356 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.204 -4.850 -8.661 1.00 0.00 H new ATOM 239 N LYS A 667 -4.504 -2.567 -6.643 1.00 0.00 N ATOM 240 CA LYS A 667 -5.416 -2.403 -5.515 1.00 0.00 C ATOM 241 C LYS A 667 -5.357 -0.989 -4.941 1.00 0.00 C ATOM 242 O LYS A 667 -5.310 -0.806 -3.725 1.00 0.00 O ATOM 243 CB LYS A 667 -5.104 -3.427 -4.418 1.00 0.00 C ATOM 244 CG LYS A 667 -3.621 -3.570 -4.114 1.00 0.00 C ATOM 245 CD LYS A 667 -3.104 -4.957 -4.468 1.00 0.00 C ATOM 246 CE LYS A 667 -3.834 -6.040 -3.689 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.869 -6.719 -4.517 1.00 0.00 N ATOM 0 H LYS A 667 -4.006 -1.719 -6.914 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.427 -2.573 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.626 -3.138 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.499 -4.398 -4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.061 -2.820 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.446 -3.376 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.227 -5.130 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.036 -5.013 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.115 -6.777 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -4.304 -5.600 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -5.774 -6.726 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -4.984 -6.209 -5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.573 -7.697 -4.710 1.00 0.00 H new ATOM 261 N ILE A 668 -5.376 0.014 -5.820 1.00 0.00 N ATOM 262 CA ILE A 668 -5.343 1.414 -5.385 1.00 0.00 C ATOM 263 C ILE A 668 -6.395 1.651 -4.319 1.00 0.00 C ATOM 264 O ILE A 668 -6.105 2.155 -3.234 1.00 0.00 O ATOM 265 CB ILE A 668 -5.602 2.382 -6.561 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.350 2.517 -7.415 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.046 3.752 -6.058 1.00 0.00 C ATOM 268 CD1 ILE A 668 -3.877 1.208 -7.997 1.00 0.00 C ATOM 0 H ILE A 668 -5.414 -0.114 -6.831 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.348 1.608 -4.985 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.406 1.968 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.547 3.217 -8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.551 2.947 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.221 4.412 -6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -6.967 3.648 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.268 4.176 -5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -2.981 1.378 -8.594 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.648 0.512 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.659 0.787 -8.628 1.00 0.00 H new ATOM 280 N GLU A 669 -7.617 1.271 -4.644 1.00 0.00 N ATOM 281 CA GLU A 669 -8.736 1.416 -3.736 1.00 0.00 C ATOM 282 C GLU A 669 -8.391 0.816 -2.381 1.00 0.00 C ATOM 283 O GLU A 669 -8.769 1.349 -1.337 1.00 0.00 O ATOM 284 CB GLU A 669 -9.955 0.732 -4.342 1.00 0.00 C ATOM 285 CG GLU A 669 -11.250 1.507 -4.158 1.00 0.00 C ATOM 286 CD GLU A 669 -11.689 1.571 -2.708 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.025 2.274 -1.917 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.696 0.917 -2.364 1.00 0.00 O ATOM 0 H GLU A 669 -7.860 0.854 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 669 -8.959 2.472 -3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.782 0.580 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.067 -0.255 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.121 2.520 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -12.036 1.040 -4.752 1.00 0.00 H new ATOM 295 N GLU A 670 -7.639 -0.276 -2.409 1.00 0.00 N ATOM 296 CA GLU A 670 -7.203 -0.925 -1.186 1.00 0.00 C ATOM 297 C GLU A 670 -6.009 -0.177 -0.620 1.00 0.00 C ATOM 298 O GLU A 670 -5.797 -0.161 0.592 1.00 0.00 O ATOM 299 CB GLU A 670 -6.842 -2.389 -1.448 1.00 0.00 C ATOM 300 CG GLU A 670 -7.215 -3.321 -0.306 1.00 0.00 C ATOM 301 CD GLU A 670 -7.722 -4.665 -0.793 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.513 -4.686 -1.759 1.00 0.00 O ATOM 303 OE2 GLU A 670 -7.329 -5.695 -0.208 1.00 0.00 O ATOM 0 H GLU A 670 -7.320 -0.729 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.018 -0.906 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.344 -2.722 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.770 -2.463 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.345 -3.474 0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.981 -2.848 0.308 1.00 0.00 H new ATOM 310 N ALA A 671 -5.242 0.473 -1.500 1.00 0.00 N ATOM 311 CA ALA A 671 -4.102 1.245 -1.050 1.00 0.00 C ATOM 312 C ALA A 671 -4.580 2.357 -0.136 1.00 0.00 C ATOM 313 O ALA A 671 -3.910 2.710 0.835 1.00 0.00 O ATOM 314 CB ALA A 671 -3.319 1.800 -2.225 1.00 0.00 C ATOM 0 H ALA A 671 -5.393 0.476 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.427 0.593 -0.495 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.469 2.375 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.960 0.978 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -3.964 2.447 -2.819 1.00 0.00 H new ATOM 320 N GLU A 672 -5.772 2.881 -0.426 1.00 0.00 N ATOM 321 CA GLU A 672 -6.356 3.919 0.408 1.00 0.00 C ATOM 322 C GLU A 672 -6.537 3.375 1.820 1.00 0.00 C ATOM 323 O GLU A 672 -6.539 4.126 2.796 1.00 0.00 O ATOM 324 CB GLU A 672 -7.698 4.380 -0.163 1.00 0.00 C ATOM 325 CG GLU A 672 -7.684 4.577 -1.671 1.00 0.00 C ATOM 326 CD GLU A 672 -8.341 5.875 -2.096 1.00 0.00 C ATOM 327 OE1 GLU A 672 -8.218 6.873 -1.356 1.00 0.00 O ATOM 328 OE2 GLU A 672 -8.978 5.895 -3.171 1.00 0.00 O ATOM 0 H GLU A 672 -6.343 2.604 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.690 4.781 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.463 3.646 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -7.984 5.317 0.315 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.653 4.563 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.197 3.742 -2.148 1.00 0.00 H new ATOM 335 N ALA A 673 -6.661 2.049 1.914 1.00 0.00 N ATOM 336 CA ALA A 673 -6.811 1.383 3.195 1.00 0.00 C ATOM 337 C ALA A 673 -5.483 1.389 3.935 1.00 0.00 C ATOM 338 O ALA A 673 -5.433 1.586 5.149 1.00 0.00 O ATOM 339 CB ALA A 673 -7.311 -0.041 3.000 1.00 0.00 C ATOM 0 H ALA A 673 -6.660 1.420 1.111 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.548 1.921 3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.418 -0.525 3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.277 -0.022 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.597 -0.598 2.393 1.00 0.00 H new ATOM 345 N ILE A 674 -4.402 1.193 3.184 1.00 0.00 N ATOM 346 CA ILE A 674 -3.064 1.199 3.754 1.00 0.00 C ATOM 347 C ILE A 674 -2.785 2.554 4.382 1.00 0.00 C ATOM 348 O ILE A 674 -2.287 2.643 5.498 1.00 0.00 O ATOM 349 CB ILE A 674 -1.993 0.885 2.682 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.905 -0.618 2.459 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.627 1.429 3.074 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.685 -1.087 1.264 1.00 0.00 C ATOM 0 H ILE A 674 -4.430 1.028 2.178 1.00 0.00 H new ATOM 0 HA ILE A 674 -3.014 0.421 4.516 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.296 1.376 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.859 -0.900 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.271 -1.132 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.097 1.188 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.686 2.511 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.312 0.978 4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.580 -2.167 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.737 -0.836 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.304 -0.599 0.367 1.00 0.00 H new ATOM 364 N GLU A 675 -3.123 3.612 3.658 1.00 0.00 N ATOM 365 CA GLU A 675 -2.918 4.964 4.153 1.00 0.00 C ATOM 366 C GLU A 675 -3.465 5.103 5.572 1.00 0.00 C ATOM 367 O GLU A 675 -2.998 5.934 6.347 1.00 0.00 O ATOM 368 CB GLU A 675 -3.575 5.978 3.215 1.00 0.00 C ATOM 369 CG GLU A 675 -2.593 6.970 2.614 1.00 0.00 C ATOM 370 CD GLU A 675 -3.280 8.050 1.802 1.00 0.00 C ATOM 371 OE1 GLU A 675 -3.925 8.931 2.410 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.172 8.017 0.558 1.00 0.00 O ATOM 0 H GLU A 675 -3.539 3.560 2.728 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.847 5.167 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.078 5.443 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.342 6.525 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.015 7.434 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -1.886 6.437 1.978 1.00 0.00 H new ATOM 379 N LYS A 676 -4.448 4.272 5.912 1.00 0.00 N ATOM 380 CA LYS A 676 -5.033 4.299 7.247 1.00 0.00 C ATOM 381 C LYS A 676 -4.030 3.802 8.287 1.00 0.00 C ATOM 382 O LYS A 676 -4.083 4.203 9.449 1.00 0.00 O ATOM 383 CB LYS A 676 -6.305 3.450 7.288 1.00 0.00 C ATOM 384 CG LYS A 676 -7.476 4.142 7.967 1.00 0.00 C ATOM 385 CD LYS A 676 -8.367 3.147 8.692 1.00 0.00 C ATOM 386 CE LYS A 676 -9.598 3.823 9.274 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.620 4.112 8.229 1.00 0.00 N ATOM 0 H LYS A 676 -4.853 3.577 5.285 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.293 5.330 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.590 3.188 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.093 2.517 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.102 4.881 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -8.062 4.682 7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.674 2.362 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -7.803 2.666 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -10.034 3.184 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.305 4.753 9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.443 4.573 8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.212 4.743 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -10.919 3.223 7.780 1.00 0.00 H new ATOM 401 N THR A 677 -3.106 2.939 7.863 1.00 0.00 N ATOM 402 CA THR A 677 -2.092 2.416 8.771 1.00 0.00 C ATOM 403 C THR A 677 -1.207 3.548 9.272 1.00 0.00 C ATOM 404 O THR A 677 -0.698 3.502 10.391 1.00 0.00 O ATOM 405 CB THR A 677 -1.233 1.337 8.094 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.860 0.847 6.922 1.00 0.00 O ATOM 407 CG2 THR A 677 -0.957 0.151 8.990 1.00 0.00 C ATOM 0 H THR A 677 -3.041 2.592 6.906 1.00 0.00 H new ATOM 0 HA THR A 677 -2.604 1.955 9.616 1.00 0.00 H new ATOM 0 HB THR A 677 -0.290 1.830 7.857 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.946 1.573 6.269 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.346 -0.575 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.426 0.484 9.882 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.900 -0.312 9.281 1.00 0.00 H new ATOM 415 N LEU A 678 -1.038 4.575 8.440 1.00 0.00 N ATOM 416 CA LEU A 678 -0.225 5.728 8.810 1.00 0.00 C ATOM 417 C LEU A 678 -0.670 6.271 10.159 1.00 0.00 C ATOM 418 O LEU A 678 0.143 6.760 10.944 1.00 0.00 O ATOM 419 CB LEU A 678 -0.322 6.821 7.744 1.00 0.00 C ATOM 420 CG LEU A 678 0.686 6.703 6.602 1.00 0.00 C ATOM 421 CD1 LEU A 678 0.109 5.871 5.469 1.00 0.00 C ATOM 422 CD2 LEU A 678 1.090 8.083 6.103 1.00 0.00 C ATOM 0 H LEU A 678 -1.452 4.630 7.510 1.00 0.00 H new ATOM 0 HA LEU A 678 0.815 5.408 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.327 6.809 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.190 7.790 8.226 1.00 0.00 H new ATOM 0 HG LEU A 678 1.577 6.200 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.840 5.797 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.130 4.873 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 678 -0.798 6.346 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.808 7.980 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.208 8.612 5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.544 8.646 6.918 1.00 0.00 H new ATOM 434 N LYS A 679 -1.970 6.165 10.429 1.00 0.00 N ATOM 435 CA LYS A 679 -2.521 6.629 11.695 1.00 0.00 C ATOM 436 C LYS A 679 -1.823 5.943 12.870 1.00 0.00 C ATOM 437 O LYS A 679 -1.838 6.445 13.994 1.00 0.00 O ATOM 438 CB LYS A 679 -4.025 6.358 11.751 1.00 0.00 C ATOM 439 CG LYS A 679 -4.709 6.962 12.967 1.00 0.00 C ATOM 440 CD LYS A 679 -5.160 8.389 12.700 1.00 0.00 C ATOM 441 CE LYS A 679 -6.630 8.446 12.319 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.894 7.763 11.022 1.00 0.00 N ATOM 0 H LYS A 679 -2.656 5.764 9.790 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.352 7.703 11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.491 6.754 10.849 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.192 5.281 11.749 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.570 6.352 13.242 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.025 6.948 13.815 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -4.989 8.998 13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -4.558 8.818 11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.227 7.980 13.103 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.948 9.487 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.902 7.853 10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.319 8.202 10.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -6.646 6.756 11.103 1.00 0.00 H new ATOM 456 N ASN A 680 -1.208 4.790 12.597 1.00 0.00 N ATOM 457 CA ASN A 680 -0.499 4.030 13.623 1.00 0.00 C ATOM 458 C ASN A 680 0.436 4.930 14.429 1.00 0.00 C ATOM 459 O ASN A 680 0.116 5.331 15.547 1.00 0.00 O ATOM 460 CB ASN A 680 0.296 2.889 12.981 1.00 0.00 C ATOM 461 CG ASN A 680 -0.557 1.663 12.724 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.754 1.770 12.460 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.057 0.488 12.801 1.00 0.00 N ATOM 0 H ASN A 680 -1.188 4.363 11.671 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.240 3.612 14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 680 0.725 3.233 12.040 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.128 2.619 13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.466 -0.372 12.638 1.00 0.00 H new ATOM 0 HD22 ASN A 680 1.052 0.446 13.023 1.00 0.00 H new ATOM 470 N LYS A 681 1.595 5.242 13.849 1.00 0.00 N ATOM 471 CA LYS A 681 2.585 6.096 14.506 1.00 0.00 C ATOM 472 C LYS A 681 2.775 5.704 15.969 1.00 0.00 C ATOM 473 O LYS A 681 3.071 6.548 16.815 1.00 0.00 O ATOM 474 CB LYS A 681 2.170 7.566 14.406 1.00 0.00 C ATOM 475 CG LYS A 681 0.914 7.903 15.193 1.00 0.00 C ATOM 476 CD LYS A 681 0.763 9.403 15.386 1.00 0.00 C ATOM 477 CE LYS A 681 -0.691 9.834 15.285 1.00 0.00 C ATOM 478 NZ LYS A 681 -1.472 9.441 16.491 1.00 0.00 N ATOM 0 H LYS A 681 1.872 4.915 12.923 1.00 0.00 H new ATOM 0 HA LYS A 681 3.537 5.957 13.993 1.00 0.00 H new ATOM 0 HB2 LYS A 681 2.989 8.190 14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 681 2.010 7.818 13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 681 0.041 7.513 14.671 1.00 0.00 H new ATOM 0 HG3 LYS A 681 0.950 7.412 16.165 1.00 0.00 H new ATOM 0 HD2 LYS A 681 1.161 9.687 16.360 1.00 0.00 H new ATOM 0 HD3 LYS A 681 1.352 9.929 14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 681 -0.741 10.915 15.157 1.00 0.00 H new ATOM 0 HE3 LYS A 681 -1.142 9.387 14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 -2.458 9.753 16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 -1.446 8.407 16.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 -1.058 9.888 17.334 1.00 0.00 H new ATOM 492 N GLN A 682 2.605 4.418 16.258 1.00 0.00 N ATOM 493 CA GLN A 682 2.758 3.913 17.617 1.00 0.00 C ATOM 494 C GLN A 682 2.587 2.397 17.657 1.00 0.00 C ATOM 495 O GLN A 682 1.564 1.889 18.117 1.00 0.00 O ATOM 496 CB GLN A 682 1.743 4.579 18.549 1.00 0.00 C ATOM 497 CG GLN A 682 1.873 4.145 20.000 1.00 0.00 C ATOM 498 CD GLN A 682 0.656 4.511 20.828 1.00 0.00 C ATOM 499 OE1 GLN A 682 0.098 3.672 21.535 1.00 0.00 O ATOM 500 NE2 GLN A 682 0.239 5.769 20.744 1.00 0.00 N ATOM 0 H GLN A 682 2.361 3.707 15.569 1.00 0.00 H new ATOM 0 HA GLN A 682 3.765 4.155 17.957 1.00 0.00 H new ATOM 0 HB2 GLN A 682 1.863 5.661 18.490 1.00 0.00 H new ATOM 0 HB3 GLN A 682 0.736 4.351 18.199 1.00 0.00 H new ATOM 0 HG2 GLN A 682 2.025 3.066 20.041 1.00 0.00 H new ATOM 0 HG3 GLN A 682 2.758 4.608 20.436 1.00 0.00 H new ATOM 0 HE21 GLN A 682 0.732 6.431 20.145 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -0.575 6.073 21.279 1.00 0.00 H new ATOM 509 N ASN A 683 3.595 1.681 17.172 1.00 0.00 N ATOM 510 CA ASN A 683 3.556 0.223 17.151 1.00 0.00 C ATOM 511 C ASN A 683 2.383 -0.279 16.316 1.00 0.00 C ATOM 512 O ASN A 683 2.298 -1.504 16.094 1.00 0.00 O ATOM 513 CB ASN A 683 3.455 -0.325 18.576 1.00 0.00 C ATOM 514 CG ASN A 683 4.746 -0.158 19.353 1.00 0.00 C ATOM 515 OD1 ASN A 683 4.759 0.424 20.438 1.00 0.00 O ATOM 516 ND2 ASN A 683 5.840 -0.668 18.800 1.00 0.00 N ATOM 517 OXT ASN A 683 1.559 0.559 15.892 1.00 0.00 O ATOM 0 H ASN A 683 4.449 2.086 16.788 1.00 0.00 H new ATOM 0 HA ASN A 683 4.480 -0.134 16.696 1.00 0.00 H new ATOM 0 HB2 ASN A 683 2.649 0.186 19.102 1.00 0.00 H new ATOM 0 HB3 ASN A 683 3.191 -1.382 18.538 1.00 0.00 H new ATOM 0 HD21 ASN A 683 6.738 -0.586 19.276 1.00 0.00 H new ATOM 0 HD22 ASN A 683 5.782 -1.142 17.899 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -16.139 -4.647 8.437 1.00 0.00 N ATOM 526 CA ARG B 405 -15.258 -5.833 8.609 1.00 0.00 C ATOM 527 C ARG B 405 -13.813 -5.504 8.242 1.00 0.00 C ATOM 528 O ARG B 405 -13.548 -4.528 7.541 1.00 0.00 O ATOM 529 CB ARG B 405 -15.785 -6.963 7.723 1.00 0.00 C ATOM 530 CG ARG B 405 -17.281 -7.192 7.853 1.00 0.00 C ATOM 531 CD ARG B 405 -18.070 -6.241 6.967 1.00 0.00 C ATOM 532 NE ARG B 405 -19.248 -6.882 6.388 1.00 0.00 N ATOM 533 CZ ARG B 405 -19.206 -7.697 5.336 1.00 0.00 C ATOM 534 NH1 ARG B 405 -18.050 -7.972 4.746 1.00 0.00 N ATOM 535 NH2 ARG B 405 -20.325 -8.238 4.873 1.00 0.00 N ATOM 0 HA ARG B 405 -15.269 -6.140 9.655 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -15.550 -6.737 6.683 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -15.262 -7.885 7.975 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -17.517 -8.222 7.584 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -17.582 -7.057 8.892 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -18.379 -5.374 7.551 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -17.427 -5.874 6.167 1.00 0.00 H new ATOM 0 HE ARG B 405 -20.155 -6.694 6.814 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -17.187 -7.558 5.098 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -18.025 -8.597 3.940 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -21.216 -8.029 5.323 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -20.294 -8.863 4.067 1.00 0.00 H new ATOM 550 N PRO B 406 -12.855 -6.322 8.714 1.00 0.00 N ATOM 551 CA PRO B 406 -11.431 -6.115 8.431 1.00 0.00 C ATOM 552 C PRO B 406 -11.128 -6.083 6.933 1.00 0.00 C ATOM 553 O PRO B 406 -10.415 -5.200 6.459 1.00 0.00 O ATOM 554 CB PRO B 406 -10.747 -7.315 9.093 1.00 0.00 C ATOM 555 CG PRO B 406 -11.719 -7.803 10.111 1.00 0.00 C ATOM 556 CD PRO B 406 -13.084 -7.508 9.556 1.00 0.00 C ATOM 0 HA PRO B 406 -11.084 -5.153 8.809 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -10.518 -8.091 8.362 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -9.804 -7.025 9.556 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -11.593 -8.871 10.290 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -11.569 -7.300 11.066 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -13.472 -8.345 8.976 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -13.806 -7.307 10.348 1.00 0.00 H new ATOM 564 N PRO B 407 -11.661 -7.050 6.162 1.00 0.00 N ATOM 565 CA PRO B 407 -11.433 -7.116 4.718 1.00 0.00 C ATOM 566 C PRO B 407 -12.340 -6.163 3.940 1.00 0.00 C ATOM 567 O PRO B 407 -13.548 -6.385 3.846 1.00 0.00 O ATOM 568 CB PRO B 407 -11.775 -8.567 4.387 1.00 0.00 C ATOM 569 CG PRO B 407 -12.823 -8.940 5.377 1.00 0.00 C ATOM 570 CD PRO B 407 -12.526 -8.155 6.630 1.00 0.00 C ATOM 0 HA PRO B 407 -10.419 -6.823 4.446 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -12.142 -8.665 3.365 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -10.900 -9.211 4.474 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -13.817 -8.704 4.997 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -12.804 -10.011 5.577 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -13.439 -7.779 7.092 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -12.021 -8.769 7.376 1.00 0.00 H new ATOM 578 N PRO B 408 -11.772 -5.085 3.370 1.00 0.00 N ATOM 579 CA PRO B 408 -12.543 -4.102 2.602 1.00 0.00 C ATOM 580 C PRO B 408 -13.050 -4.672 1.280 1.00 0.00 C ATOM 581 O PRO B 408 -14.087 -4.250 0.768 1.00 0.00 O ATOM 582 CB PRO B 408 -11.537 -2.977 2.348 1.00 0.00 C ATOM 583 CG PRO B 408 -10.205 -3.639 2.413 1.00 0.00 C ATOM 584 CD PRO B 408 -10.338 -4.738 3.429 1.00 0.00 C ATOM 0 HA PRO B 408 -13.436 -3.778 3.136 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -11.701 -2.511 1.376 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -11.625 -2.190 3.097 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -9.920 -4.039 1.440 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -9.431 -2.930 2.705 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -9.707 -5.592 3.182 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -10.046 -4.403 4.424 1.00 0.00 H new ATOM 592 N ALA B 409 -12.312 -5.631 0.733 1.00 0.00 N ATOM 593 CA ALA B 409 -12.686 -6.257 -0.529 1.00 0.00 C ATOM 594 C ALA B 409 -12.068 -7.646 -0.658 1.00 0.00 C ATOM 595 O ALA B 409 -12.771 -8.631 -0.877 1.00 0.00 O ATOM 596 CB ALA B 409 -12.266 -5.380 -1.698 1.00 0.00 C ATOM 0 H ALA B 409 -11.451 -5.992 1.144 1.00 0.00 H new ATOM 0 HA ALA B 409 -13.770 -6.368 -0.543 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -12.552 -5.860 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -12.759 -4.411 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -11.185 -5.239 -1.677 1.00 0.00 H new ATOM 602 N HIS B 410 -10.748 -7.715 -0.518 1.00 0.00 N ATOM 603 CA HIS B 410 -10.035 -8.983 -0.620 1.00 0.00 C ATOM 604 C HIS B 410 -8.693 -8.910 0.103 1.00 0.00 C ATOM 605 O HIS B 410 -7.659 -8.649 -0.512 1.00 0.00 O ATOM 606 CB HIS B 410 -9.817 -9.354 -2.087 1.00 0.00 C ATOM 607 CG HIS B 410 -10.937 -10.158 -2.672 1.00 0.00 C ATOM 608 ND1 HIS B 410 -11.286 -11.410 -2.212 1.00 0.00 N ATOM 609 CD2 HIS B 410 -11.789 -9.881 -3.687 1.00 0.00 C ATOM 610 CE1 HIS B 410 -12.303 -11.869 -2.919 1.00 0.00 C ATOM 611 NE2 HIS B 410 -12.628 -10.960 -3.819 1.00 0.00 N ATOM 0 H HIS B 410 -10.151 -6.909 -0.334 1.00 0.00 H new ATOM 0 HA HIS B 410 -10.643 -9.753 -0.145 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -9.692 -8.441 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -8.889 -9.919 -2.177 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -11.806 -8.980 -4.282 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -12.786 -12.825 -2.784 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -13.381 -11.045 -4.502 1.00 0.00 H new ATOM 620 N HIS B 411 -8.717 -9.143 1.411 1.00 0.00 N ATOM 621 CA HIS B 411 -7.502 -9.105 2.217 1.00 0.00 C ATOM 622 C HIS B 411 -6.757 -10.434 2.141 1.00 0.00 C ATOM 623 O HIS B 411 -7.003 -11.340 2.937 1.00 0.00 O ATOM 624 CB HIS B 411 -7.841 -8.779 3.672 1.00 0.00 C ATOM 625 CG HIS B 411 -6.817 -7.921 4.347 1.00 0.00 C ATOM 626 ND1 HIS B 411 -6.450 -6.676 3.880 1.00 0.00 N ATOM 627 CD2 HIS B 411 -6.078 -8.134 5.464 1.00 0.00 C ATOM 628 CE1 HIS B 411 -5.531 -6.161 4.677 1.00 0.00 C ATOM 629 NE2 HIS B 411 -5.290 -7.025 5.646 1.00 0.00 N ATOM 0 H HIS B 411 -9.564 -9.360 1.936 1.00 0.00 H new ATOM 0 HA HIS B 411 -6.855 -8.324 1.818 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -8.806 -8.274 3.707 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -7.947 -9.710 4.229 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -6.105 -9.012 6.093 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -5.058 -5.198 4.557 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -4.625 -6.890 6.408 1.00 0.00 H new ATOM 638 N ASN B 412 -5.846 -10.541 1.180 1.00 0.00 N ATOM 639 CA ASN B 412 -5.064 -11.759 1.002 1.00 0.00 C ATOM 640 C ASN B 412 -3.798 -11.723 1.853 1.00 0.00 C ATOM 641 O ASN B 412 -2.689 -11.892 1.345 1.00 0.00 O ATOM 642 CB ASN B 412 -4.699 -11.943 -0.474 1.00 0.00 C ATOM 643 CG ASN B 412 -5.818 -12.586 -1.270 1.00 0.00 C ATOM 644 OD1 ASN B 412 -5.727 -13.749 -1.664 1.00 0.00 O ATOM 645 ND2 ASN B 412 -6.883 -11.829 -1.512 1.00 0.00 N ATOM 0 H ASN B 412 -5.631 -9.800 0.513 1.00 0.00 H new ATOM 0 HA ASN B 412 -5.672 -12.603 1.327 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -4.458 -10.973 -0.909 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -3.803 -12.558 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -7.667 -12.207 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -6.916 -10.870 -1.166 1.00 0.00 H new ATOM 652 N MET B 413 -3.972 -11.501 3.151 1.00 0.00 N ATOM 653 CA MET B 413 -2.845 -11.443 4.075 1.00 0.00 C ATOM 654 C MET B 413 -1.889 -10.315 3.697 1.00 0.00 C ATOM 655 O MET B 413 -1.021 -10.485 2.841 1.00 0.00 O ATOM 656 CB MET B 413 -2.096 -12.778 4.085 1.00 0.00 C ATOM 657 CG MET B 413 -1.462 -13.109 5.426 1.00 0.00 C ATOM 658 SD MET B 413 -0.822 -14.794 5.493 1.00 0.00 S ATOM 659 CE MET B 413 -1.128 -15.204 7.210 1.00 0.00 C ATOM 0 H MET B 413 -4.883 -11.358 3.587 1.00 0.00 H new ATOM 0 HA MET B 413 -3.236 -11.246 5.073 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.788 -13.575 3.813 1.00 0.00 H new ATOM 0 HB3 MET B 413 -1.319 -12.755 3.321 1.00 0.00 H new ATOM 0 HG2 MET B 413 -0.651 -12.408 5.623 1.00 0.00 H new ATOM 0 HG3 MET B 413 -2.200 -12.973 6.216 1.00 0.00 H new ATOM 0 HE1 MET B 413 -0.785 -16.220 7.408 1.00 0.00 H new ATOM 0 HE2 MET B 413 -0.589 -14.507 7.852 1.00 0.00 H new ATOM 0 HE3 MET B 413 -2.196 -15.135 7.416 1.00 0.00 H new ATOM 669 N PHE B 414 -2.057 -9.165 4.341 1.00 0.00 N ATOM 670 CA PHE B 414 -1.210 -8.008 4.072 1.00 0.00 C ATOM 671 C PHE B 414 0.253 -8.327 4.367 1.00 0.00 C ATOM 672 O PHE B 414 1.089 -8.337 3.463 1.00 0.00 O ATOM 673 CB PHE B 414 -1.667 -6.811 4.909 1.00 0.00 C ATOM 674 CG PHE B 414 -1.190 -5.486 4.381 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.650 -5.000 3.167 1.00 0.00 C ATOM 676 CD2 PHE B 414 -0.280 -4.727 5.100 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.213 -3.786 2.682 1.00 0.00 C ATOM 678 CE2 PHE B 414 0.160 -3.508 4.617 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.308 -3.038 3.406 1.00 0.00 C ATOM 0 H PHE B 414 -2.771 -9.009 5.052 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.301 -7.757 3.015 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.756 -6.804 4.952 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -1.308 -6.935 5.931 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -2.359 -5.579 2.594 1.00 0.00 H new ATOM 0 HD2 PHE B 414 0.089 -5.091 6.047 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.580 -3.420 1.734 1.00 0.00 H new ATOM 0 HE2 PHE B 414 0.869 -2.925 5.186 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.034 -2.086 3.026 1.00 0.00 H new ATOM 689 N SER B 415 0.557 -8.587 5.637 1.00 0.00 N ATOM 690 CA SER B 415 1.922 -8.904 6.055 1.00 0.00 C ATOM 691 C SER B 415 2.907 -7.847 5.553 1.00 0.00 C ATOM 692 O SER B 415 3.144 -6.843 6.226 1.00 0.00 O ATOM 693 CB SER B 415 2.322 -10.295 5.551 1.00 0.00 C ATOM 694 OG SER B 415 3.710 -10.521 5.726 1.00 0.00 O ATOM 0 H SER B 415 -0.124 -8.584 6.396 1.00 0.00 H new ATOM 0 HA SER B 415 1.955 -8.904 7.145 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.756 -11.056 6.088 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.065 -10.391 4.496 1.00 0.00 H new ATOM 0 HG SER B 415 3.940 -11.416 5.398 1.00 0.00 H new ATOM 700 N VAL B 416 3.469 -8.063 4.365 1.00 0.00 N ATOM 701 CA VAL B 416 4.411 -7.114 3.784 1.00 0.00 C ATOM 702 C VAL B 416 4.244 -7.052 2.265 1.00 0.00 C ATOM 703 O VAL B 416 4.065 -8.077 1.607 1.00 0.00 O ATOM 704 CB VAL B 416 5.880 -7.446 4.129 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.647 -6.173 4.463 1.00 0.00 C ATOM 706 CG2 VAL B 416 5.962 -8.438 5.283 1.00 0.00 C ATOM 0 H VAL B 416 3.288 -8.885 3.789 1.00 0.00 H new ATOM 0 HA VAL B 416 4.181 -6.142 4.221 1.00 0.00 H new ATOM 0 HB VAL B 416 6.337 -7.910 3.255 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.680 -6.423 4.704 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.627 -5.501 3.605 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.183 -5.683 5.319 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.007 -8.653 5.504 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.485 -8.010 6.165 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.452 -9.361 5.006 1.00 0.00 H new ATOM 716 N PRO B 417 4.274 -5.837 1.696 1.00 0.00 N ATOM 717 CA PRO B 417 4.102 -5.614 0.256 1.00 0.00 C ATOM 718 C PRO B 417 5.268 -6.097 -0.607 1.00 0.00 C ATOM 719 O PRO B 417 6.417 -6.141 -0.169 1.00 0.00 O ATOM 720 CB PRO B 417 3.957 -4.101 0.132 1.00 0.00 C ATOM 721 CG PRO B 417 4.649 -3.555 1.323 1.00 0.00 C ATOM 722 CD PRO B 417 4.456 -4.565 2.421 1.00 0.00 C ATOM 0 HA PRO B 417 3.248 -6.184 -0.109 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.408 -3.735 -0.790 1.00 0.00 H new ATOM 0 HB3 PRO B 417 2.908 -3.804 0.113 1.00 0.00 H new ATOM 0 HG2 PRO B 417 5.708 -3.399 1.120 1.00 0.00 H new ATOM 0 HG3 PRO B 417 4.233 -2.588 1.606 1.00 0.00 H new ATOM 0 HD2 PRO B 417 5.318 -4.603 3.087 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.589 -4.327 3.037 1.00 0.00 H new ATOM 730 N PRO B 418 4.961 -6.437 -1.872 1.00 0.00 N ATOM 731 CA PRO B 418 5.942 -6.896 -2.865 1.00 0.00 C ATOM 732 C PRO B 418 7.059 -5.876 -3.079 1.00 0.00 C ATOM 733 O PRO B 418 6.892 -4.695 -2.785 1.00 0.00 O ATOM 734 CB PRO B 418 5.125 -7.063 -4.150 1.00 0.00 C ATOM 735 CG PRO B 418 3.719 -7.209 -3.693 1.00 0.00 C ATOM 736 CD PRO B 418 3.605 -6.373 -2.453 1.00 0.00 C ATOM 0 HA PRO B 418 6.437 -7.813 -2.546 1.00 0.00 H new ATOM 0 HB2 PRO B 418 5.240 -6.200 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO B 418 5.450 -7.937 -4.714 1.00 0.00 H new ATOM 0 HG2 PRO B 418 3.021 -6.870 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO B 418 3.482 -8.252 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO B 418 3.315 -5.348 -2.685 1.00 0.00 H new ATOM 0 HD3 PRO B 418 2.855 -6.770 -1.768 1.00 0.00 H new ATOM 744 N PRO B 419 8.228 -6.329 -3.563 1.00 0.00 N ATOM 745 CA PRO B 419 9.395 -5.466 -3.784 1.00 0.00 C ATOM 746 C PRO B 419 9.033 -4.254 -4.636 1.00 0.00 C ATOM 747 O PRO B 419 8.017 -4.260 -5.330 1.00 0.00 O ATOM 748 CB PRO B 419 10.395 -6.371 -4.524 1.00 0.00 C ATOM 749 CG PRO B 419 9.622 -7.588 -4.918 1.00 0.00 C ATOM 750 CD PRO B 419 8.520 -7.725 -3.909 1.00 0.00 C ATOM 0 HA PRO B 419 9.795 -5.066 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO B 419 10.806 -5.867 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO B 419 11.236 -6.632 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO B 419 9.218 -7.484 -5.925 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.260 -8.471 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO B 419 7.649 -8.230 -4.326 1.00 0.00 H new ATOM 0 HD3 PRO B 419 8.836 -8.301 -3.039 1.00 0.00 H new ATOM 758 N PRO B 420 9.806 -3.155 -4.510 1.00 0.00 N ATOM 759 CA PRO B 420 9.503 -1.886 -5.179 1.00 0.00 C ATOM 760 C PRO B 420 9.186 -2.050 -6.652 1.00 0.00 C ATOM 761 O PRO B 420 9.998 -2.529 -7.444 1.00 0.00 O ATOM 762 CB PRO B 420 10.791 -1.061 -4.998 1.00 0.00 C ATOM 763 CG PRO B 420 11.775 -1.964 -4.321 1.00 0.00 C ATOM 764 CD PRO B 420 10.971 -3.027 -3.631 1.00 0.00 C ATOM 0 HA PRO B 420 8.614 -1.419 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO B 420 11.173 -0.721 -5.960 1.00 0.00 H new ATOM 0 HB3 PRO B 420 10.602 -0.171 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO B 420 12.460 -2.404 -5.046 1.00 0.00 H new ATOM 0 HG3 PRO B 420 12.382 -1.410 -3.605 1.00 0.00 H new ATOM 0 HD2 PRO B 420 11.522 -3.964 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO B 420 10.688 -2.732 -2.621 1.00 0.00 H new ATOM 772 N ILE B 421 7.954 -1.658 -6.984 1.00 0.00 N ATOM 773 CA ILE B 421 7.434 -1.756 -8.335 1.00 0.00 C ATOM 774 C ILE B 421 8.400 -1.159 -9.355 1.00 0.00 C ATOM 775 O ILE B 421 9.341 -0.453 -8.993 1.00 0.00 O ATOM 776 CB ILE B 421 6.056 -1.059 -8.468 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.042 0.280 -7.699 1.00 0.00 C ATOM 778 CG2 ILE B 421 4.942 -1.990 -7.991 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.953 0.396 -6.644 1.00 0.00 C ATOM 0 H ILE B 421 7.292 -1.263 -6.315 1.00 0.00 H new ATOM 0 HA ILE B 421 7.314 -2.819 -8.542 1.00 0.00 H new ATOM 0 HB ILE B 421 5.879 -0.834 -9.520 1.00 0.00 H new ATOM 0 HG12 ILE B 421 7.011 0.417 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE B 421 5.923 1.093 -8.415 1.00 0.00 H new ATOM 0 HG21 ILE B 421 3.980 -1.487 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE B 421 4.942 -2.897 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.109 -2.251 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE B 421 5.021 1.368 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE B 421 3.976 0.295 -7.117 1.00 0.00 H new ATOM 0 HD13 ILE B 421 5.080 -0.392 -5.902 1.00 0.00 H new ATOM 791 N LEU B 422 8.159 -1.448 -10.628 1.00 0.00 N ATOM 792 CA LEU B 422 9.006 -0.942 -11.701 1.00 0.00 C ATOM 793 C LEU B 422 8.371 -1.216 -13.061 1.00 0.00 C ATOM 794 O LEU B 422 9.066 -1.461 -14.048 1.00 0.00 O ATOM 795 CB LEU B 422 10.396 -1.582 -11.627 1.00 0.00 C ATOM 796 CG LEU B 422 11.490 -0.685 -11.045 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.494 -1.510 -10.254 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.189 0.088 -12.153 1.00 0.00 C ATOM 0 H LEU B 422 7.383 -2.031 -10.943 1.00 0.00 H new ATOM 0 HA LEU B 422 9.109 0.136 -11.579 1.00 0.00 H new ATOM 0 HB2 LEU B 422 10.331 -2.488 -11.024 1.00 0.00 H new ATOM 0 HB3 LEU B 422 10.693 -1.887 -12.630 1.00 0.00 H new ATOM 0 HG LEU B 422 11.024 0.030 -10.367 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.264 -0.854 -9.848 1.00 0.00 H new ATOM 0 HD12 LEU B 422 11.983 -2.019 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU B 422 12.955 -2.249 -10.910 1.00 0.00 H new ATOM 0 HD21 LEU B 422 12.964 0.721 -11.722 1.00 0.00 H new ATOM 0 HD22 LEU B 422 12.641 -0.612 -12.855 1.00 0.00 H new ATOM 0 HD23 LEU B 422 11.463 0.710 -12.677 1.00 0.00 H new ATOM 810 N GLY B 423 7.044 -1.174 -13.103 1.00 0.00 N ATOM 811 CA GLY B 423 6.333 -1.420 -14.342 1.00 0.00 C ATOM 812 C GLY B 423 5.963 -0.141 -15.065 1.00 0.00 C ATOM 813 O GLY B 423 4.972 -0.096 -15.794 1.00 0.00 O ATOM 0 H GLY B 423 6.448 -0.974 -12.300 1.00 0.00 H new ATOM 0 HA2 GLY B 423 6.951 -2.036 -14.995 1.00 0.00 H new ATOM 0 HA3 GLY B 423 5.427 -1.988 -14.130 1.00 0.00 H new ATOM 817 N ARG B 424 6.761 0.903 -14.863 1.00 0.00 N ATOM 818 CA ARG B 424 6.512 2.190 -15.501 1.00 0.00 C ATOM 819 C ARG B 424 7.147 2.243 -16.887 1.00 0.00 C ATOM 820 O ARG B 424 7.998 1.417 -17.222 1.00 0.00 O ATOM 821 CB ARG B 424 7.056 3.327 -14.635 1.00 0.00 C ATOM 822 CG ARG B 424 6.605 3.256 -13.185 1.00 0.00 C ATOM 823 CD ARG B 424 6.407 4.643 -12.596 1.00 0.00 C ATOM 824 NE ARG B 424 5.349 4.664 -11.588 1.00 0.00 N ATOM 825 CZ ARG B 424 5.183 5.649 -10.707 1.00 0.00 C ATOM 826 NH1 ARG B 424 6.003 6.693 -10.707 1.00 0.00 N ATOM 827 NH2 ARG B 424 4.195 5.589 -9.826 1.00 0.00 N ATOM 0 H ARG B 424 7.585 0.882 -14.263 1.00 0.00 H new ATOM 0 HA ARG B 424 5.434 2.310 -15.610 1.00 0.00 H new ATOM 0 HB2 ARG B 424 8.145 3.310 -14.669 1.00 0.00 H new ATOM 0 HB3 ARG B 424 6.739 4.280 -15.059 1.00 0.00 H new ATOM 0 HG2 ARG B 424 5.673 2.695 -13.120 1.00 0.00 H new ATOM 0 HG3 ARG B 424 7.346 2.713 -12.598 1.00 0.00 H new ATOM 0 HD2 ARG B 424 7.341 4.983 -12.149 1.00 0.00 H new ATOM 0 HD3 ARG B 424 6.162 5.344 -13.394 1.00 0.00 H new ATOM 0 HE ARG B 424 4.700 3.878 -11.557 1.00 0.00 H new ATOM 0 HH11 ARG B 424 6.764 6.743 -11.384 1.00 0.00 H new ATOM 0 HH12 ARG B 424 5.872 7.445 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG B 424 3.562 4.789 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG B 424 4.067 6.343 -9.151 1.00 0.00 H new ATOM 841 N GLY B 425 6.729 3.217 -17.688 1.00 0.00 N ATOM 842 CA GLY B 425 7.268 3.358 -19.027 1.00 0.00 C ATOM 843 C GLY B 425 6.417 4.256 -19.904 1.00 0.00 C ATOM 844 O GLY B 425 5.224 4.440 -19.583 1.00 0.00 O ATOM 845 OXT GLY B 425 6.943 4.776 -20.911 1.00 0.00 O ATOM 0 H GLY B 425 6.026 3.911 -17.433 1.00 0.00 H new ATOM 0 HA2 GLY B 425 8.278 3.764 -18.968 1.00 0.00 H new ATOM 0 HA3 GLY B 425 7.347 2.374 -19.489 1.00 0.00 H new TER 849 GLY B 425