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 141:sc= 0.121 USER MOD Single : A 655 SER OG : rot 36:sc= -5.26! USER MOD Single : A 657 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.0029) USER MOD Single : A 661 TYR OH : rot -21:sc= -1.62! USER MOD Single : A 662 TYR OH : rot -120:sc= 1.09 USER MOD Single : A 664 SER OG : rot -54:sc= 0.923 USER MOD Single : A 667 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.152) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 67:sc= -1.27! USER MOD Single : A 679 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.626) USER MOD Single : A 680 ASN : amide:sc= -2.84 K(o=-2.8,f=-1.4!) 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 X(o=0,f=0) USER MOD Single : B 410 HIS : no HD1:sc= -0.418 K(o=-0.42,f=-1.3) USER MOD Single : B 411 HIS : no HD1:sc= -0.262 K(o=-0.26,f=-0.91) USER MOD Single : B 412 ASN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot -61:sc= -0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 6.714 4.419 14.792 1.00 0.00 N ATOM 2 CA GLY A 651 7.224 3.026 14.906 1.00 0.00 C ATOM 3 C GLY A 651 7.349 2.341 13.559 1.00 0.00 C ATOM 4 O GLY A 651 8.423 1.862 13.196 1.00 0.00 O ATOM 0 HA2 GLY A 651 8.198 3.038 15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 651 6.554 2.448 15.543 1.00 0.00 H new ATOM 9 N ALA A 652 6.248 2.295 12.816 1.00 0.00 N ATOM 10 CA ALA A 652 6.239 1.665 11.502 1.00 0.00 C ATOM 11 C ALA A 652 6.188 2.710 10.393 1.00 0.00 C ATOM 12 O ALA A 652 7.158 2.896 9.659 1.00 0.00 O ATOM 13 CB ALA A 652 5.061 0.709 11.383 1.00 0.00 C ATOM 0 H ALA A 652 5.351 2.687 13.102 1.00 0.00 H new ATOM 0 HA ALA A 652 7.164 1.100 11.391 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.067 0.246 10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.141 -0.064 12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.130 1.260 11.520 1.00 0.00 H new ATOM 19 N ASP A 653 5.047 3.386 10.278 1.00 0.00 N ATOM 20 CA ASP A 653 4.852 4.418 9.258 1.00 0.00 C ATOM 21 C ASP A 653 5.397 3.973 7.904 1.00 0.00 C ATOM 22 O ASP A 653 6.427 4.463 7.442 1.00 0.00 O ATOM 23 CB ASP A 653 5.517 5.728 9.689 1.00 0.00 C ATOM 24 CG ASP A 653 7.017 5.590 9.866 1.00 0.00 C ATOM 25 OD1 ASP A 653 7.446 5.101 10.931 1.00 0.00 O ATOM 26 OD2 ASP A 653 7.762 5.970 8.938 1.00 0.00 O ATOM 0 H ASP A 653 4.238 3.237 10.882 1.00 0.00 H new ATOM 0 HA ASP A 653 3.779 4.581 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.312 6.497 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 653 5.074 6.065 10.626 1.00 0.00 H new ATOM 31 N TYR A 654 4.695 3.038 7.276 1.00 0.00 N ATOM 32 CA TYR A 654 5.101 2.517 5.972 1.00 0.00 C ATOM 33 C TYR A 654 3.956 2.570 4.967 1.00 0.00 C ATOM 34 O TYR A 654 4.184 2.588 3.758 1.00 0.00 O ATOM 35 CB TYR A 654 5.620 1.079 6.104 1.00 0.00 C ATOM 36 CG TYR A 654 4.557 0.064 6.472 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.484 0.407 7.289 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.627 -1.245 6.004 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.521 -0.510 7.625 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.660 -2.173 6.339 1.00 0.00 C ATOM 41 CZ TYR A 654 2.608 -1.801 7.150 1.00 0.00 C ATOM 42 OH TYR A 654 1.642 -2.722 7.488 1.00 0.00 O ATOM 0 H TYR A 654 3.840 2.623 7.647 1.00 0.00 H new ATOM 0 HA TYR A 654 5.905 3.153 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.078 0.782 5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.405 1.056 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.408 1.416 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.450 -1.540 5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.697 -0.221 8.260 1.00 0.00 H new ATOM 0 HE2 TYR A 654 3.727 -3.185 5.968 1.00 0.00 H new ATOM 0 HH TYR A 654 1.445 -3.289 6.713 1.00 0.00 H new ATOM 52 N SER A 655 2.724 2.599 5.472 1.00 0.00 N ATOM 53 CA SER A 655 1.540 2.653 4.621 1.00 0.00 C ATOM 54 C SER A 655 1.704 3.670 3.496 1.00 0.00 C ATOM 55 O SER A 655 1.110 3.526 2.433 1.00 0.00 O ATOM 56 CB SER A 655 0.311 2.996 5.459 1.00 0.00 C ATOM 57 OG SER A 655 0.673 3.688 6.643 1.00 0.00 O ATOM 0 H SER A 655 2.521 2.586 6.471 1.00 0.00 H new ATOM 0 HA SER A 655 1.409 1.671 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.373 3.608 4.872 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.222 2.081 5.718 1.00 0.00 H new ATOM 0 HG SER A 655 1.430 4.281 6.457 1.00 0.00 H new ATOM 63 N ALA A 656 2.515 4.694 3.727 1.00 0.00 N ATOM 64 CA ALA A 656 2.739 5.710 2.711 1.00 0.00 C ATOM 65 C ALA A 656 3.403 5.103 1.497 1.00 0.00 C ATOM 66 O ALA A 656 2.809 5.018 0.422 1.00 0.00 O ATOM 67 CB ALA A 656 3.591 6.845 3.254 1.00 0.00 C ATOM 0 H ALA A 656 3.023 4.841 4.599 1.00 0.00 H new ATOM 0 HA ALA A 656 1.769 6.115 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.743 7.591 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.085 7.306 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.556 6.454 3.575 1.00 0.00 H new ATOM 73 N GLN A 657 4.638 4.671 1.679 1.00 0.00 N ATOM 74 CA GLN A 657 5.378 4.060 0.595 1.00 0.00 C ATOM 75 C GLN A 657 4.797 2.688 0.275 1.00 0.00 C ATOM 76 O GLN A 657 5.046 2.131 -0.793 1.00 0.00 O ATOM 77 CB GLN A 657 6.861 3.942 0.949 1.00 0.00 C ATOM 78 CG GLN A 657 7.789 4.169 -0.233 1.00 0.00 C ATOM 79 CD GLN A 657 9.239 4.322 0.184 1.00 0.00 C ATOM 80 OE1 GLN A 657 10.114 3.604 -0.298 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.499 5.261 1.086 1.00 0.00 N ATOM 0 H GLN A 657 5.145 4.732 2.562 1.00 0.00 H new ATOM 0 HA GLN A 657 5.289 4.695 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.098 4.664 1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.049 2.951 1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.700 3.332 -0.925 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.474 5.063 -0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 657 8.742 5.834 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.456 5.410 1.406 1.00 0.00 H new ATOM 90 N TRP A 658 4.008 2.150 1.203 1.00 0.00 N ATOM 91 CA TRP A 658 3.383 0.855 1.001 1.00 0.00 C ATOM 92 C TRP A 658 2.116 1.023 0.186 1.00 0.00 C ATOM 93 O TRP A 658 1.789 0.182 -0.649 1.00 0.00 O ATOM 94 CB TRP A 658 3.073 0.176 2.335 1.00 0.00 C ATOM 95 CG TRP A 658 4.065 -0.886 2.695 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.798 -2.101 3.257 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.484 -0.829 2.514 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.965 -2.804 3.435 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.013 -2.043 2.987 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.360 0.129 1.997 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.376 -2.321 2.957 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.713 -0.149 1.969 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.209 -1.366 2.446 1.00 0.00 C ATOM 0 H TRP A 658 3.790 2.592 2.096 1.00 0.00 H new ATOM 0 HA TRP A 658 4.079 0.216 0.458 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.052 0.928 3.123 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.077 -0.265 2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.814 -2.457 3.523 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.039 -3.739 3.835 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.986 1.071 1.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.762 -3.260 3.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.398 0.585 1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.272 -1.555 2.410 1.00 0.00 H new ATOM 114 N ALA A 659 1.414 2.128 0.411 1.00 0.00 N ATOM 115 CA ALA A 659 0.202 2.400 -0.336 1.00 0.00 C ATOM 116 C ALA A 659 0.569 2.776 -1.761 1.00 0.00 C ATOM 117 O ALA A 659 -0.138 2.430 -2.705 1.00 0.00 O ATOM 118 CB ALA A 659 -0.614 3.504 0.323 1.00 0.00 C ATOM 0 H ALA A 659 1.663 2.840 1.098 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.417 1.503 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.517 3.686 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.889 3.200 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.021 4.417 0.368 1.00 0.00 H new ATOM 124 N GLU A 660 1.703 3.468 -1.911 1.00 0.00 N ATOM 125 CA GLU A 660 2.181 3.864 -3.231 1.00 0.00 C ATOM 126 C GLU A 660 2.270 2.642 -4.133 1.00 0.00 C ATOM 127 O GLU A 660 2.114 2.734 -5.351 1.00 0.00 O ATOM 128 CB GLU A 660 3.546 4.561 -3.141 1.00 0.00 C ATOM 129 CG GLU A 660 4.733 3.617 -2.991 1.00 0.00 C ATOM 130 CD GLU A 660 5.668 3.662 -4.184 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.747 4.724 -4.837 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.322 2.636 -4.465 1.00 0.00 O ATOM 0 H GLU A 660 2.300 3.762 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 660 1.472 4.574 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.690 5.165 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.534 5.246 -2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.288 3.877 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.368 2.599 -2.858 1.00 0.00 H new ATOM 139 N TYR A 661 2.515 1.494 -3.510 1.00 0.00 N ATOM 140 CA TYR A 661 2.619 0.239 -4.230 1.00 0.00 C ATOM 141 C TYR A 661 1.252 -0.205 -4.711 1.00 0.00 C ATOM 142 O TYR A 661 1.020 -0.370 -5.906 1.00 0.00 O ATOM 143 CB TYR A 661 3.235 -0.827 -3.328 1.00 0.00 C ATOM 144 CG TYR A 661 4.729 -0.700 -3.226 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.487 -0.567 -4.373 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.380 -0.702 -1.999 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.852 -0.442 -4.317 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.754 -0.570 -1.926 1.00 0.00 C ATOM 149 CZ TYR A 661 7.488 -0.442 -3.090 1.00 0.00 C ATOM 150 OH TYR A 661 8.856 -0.307 -3.026 1.00 0.00 O ATOM 0 H TYR A 661 2.645 1.412 -2.502 1.00 0.00 H new ATOM 0 HA TYR A 661 3.262 0.381 -5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.798 -0.753 -2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.983 -1.815 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.995 -0.561 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.805 -0.808 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.426 -0.344 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.250 -0.567 -0.967 1.00 0.00 H new ATOM 0 HH TYR A 661 9.250 -0.556 -3.888 1.00 0.00 H new ATOM 160 N TYR A 662 0.346 -0.378 -3.764 1.00 0.00 N ATOM 161 CA TYR A 662 -1.012 -0.785 -4.073 1.00 0.00 C ATOM 162 C TYR A 662 -1.708 0.275 -4.908 1.00 0.00 C ATOM 163 O TYR A 662 -2.700 -0.003 -5.574 1.00 0.00 O ATOM 164 CB TYR A 662 -1.769 -1.053 -2.779 1.00 0.00 C ATOM 165 CG TYR A 662 -0.964 -1.894 -1.826 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.720 -3.233 -2.086 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.417 -1.335 -0.686 1.00 0.00 C ATOM 168 CE1 TYR A 662 0.046 -3.995 -1.229 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.346 -2.084 0.179 1.00 0.00 C ATOM 170 CZ TYR A 662 0.579 -3.416 -0.094 1.00 0.00 C ATOM 171 OH TYR A 662 1.344 -4.170 0.766 1.00 0.00 O ATOM 0 H TYR A 662 0.529 -0.242 -2.770 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.990 -1.703 -4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.022 -0.106 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.708 -1.558 -3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.136 -3.687 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.592 -0.291 -0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.228 -5.038 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.761 -1.632 1.068 1.00 0.00 H new ATOM 0 HH TYR A 662 0.929 -4.175 1.654 1.00 0.00 H new ATOM 181 N ARG A 663 -1.170 1.492 -4.885 1.00 0.00 N ATOM 182 CA ARG A 663 -1.743 2.578 -5.661 1.00 0.00 C ATOM 183 C ARG A 663 -1.377 2.445 -7.135 1.00 0.00 C ATOM 184 O ARG A 663 -1.851 3.217 -7.969 1.00 0.00 O ATOM 185 CB ARG A 663 -1.275 3.935 -5.127 1.00 0.00 C ATOM 186 CG ARG A 663 -2.416 4.843 -4.697 1.00 0.00 C ATOM 187 CD ARG A 663 -2.440 5.029 -3.189 1.00 0.00 C ATOM 188 NE ARG A 663 -3.776 5.367 -2.701 1.00 0.00 N ATOM 189 CZ ARG A 663 -4.011 5.929 -1.518 1.00 0.00 C ATOM 190 NH1 ARG A 663 -3.007 6.214 -0.698 1.00 0.00 N ATOM 191 NH2 ARG A 663 -5.256 6.207 -1.153 1.00 0.00 N ATOM 0 H ARG A 663 -0.345 1.745 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.827 2.519 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.610 3.773 -4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.691 4.438 -5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.313 5.813 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.364 4.419 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -2.098 4.114 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.741 5.818 -2.910 1.00 0.00 H new ATOM 0 HE ARG A 663 -4.574 5.160 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.048 6.002 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.195 6.645 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -6.032 5.990 -1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -5.438 6.638 -0.246 1.00 0.00 H new ATOM 205 N SER A 664 -0.531 1.470 -7.455 1.00 0.00 N ATOM 206 CA SER A 664 -0.117 1.256 -8.832 1.00 0.00 C ATOM 207 C SER A 664 0.399 -0.162 -9.061 1.00 0.00 C ATOM 208 O SER A 664 1.070 -0.436 -10.056 1.00 0.00 O ATOM 209 CB SER A 664 0.934 2.283 -9.221 1.00 0.00 C ATOM 210 OG SER A 664 1.560 1.944 -10.447 1.00 0.00 O ATOM 0 H SER A 664 -0.123 0.821 -6.782 1.00 0.00 H new ATOM 0 HA SER A 664 -0.993 1.381 -9.469 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.470 3.266 -9.307 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.685 2.353 -8.434 1.00 0.00 H new ATOM 0 HG SER A 664 1.920 1.034 -10.390 1.00 0.00 H new ATOM 216 N VAL A 665 0.057 -1.069 -8.151 1.00 0.00 N ATOM 217 CA VAL A 665 0.460 -2.462 -8.276 1.00 0.00 C ATOM 218 C VAL A 665 -0.769 -3.356 -8.439 1.00 0.00 C ATOM 219 O VAL A 665 -0.648 -4.555 -8.692 1.00 0.00 O ATOM 220 CB VAL A 665 1.308 -2.936 -7.069 1.00 0.00 C ATOM 221 CG1 VAL A 665 0.444 -3.216 -5.843 1.00 0.00 C ATOM 222 CG2 VAL A 665 2.120 -4.166 -7.445 1.00 0.00 C ATOM 0 H VAL A 665 -0.498 -0.863 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 665 1.086 -2.540 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 665 1.991 -2.128 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 665 1.077 -3.546 -5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.083 -2.307 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.280 -3.996 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.711 -4.488 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.446 -4.969 -7.744 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.785 -3.923 -8.274 1.00 0.00 H new ATOM 232 N GLY A 666 -1.956 -2.759 -8.297 1.00 0.00 N ATOM 233 CA GLY A 666 -3.187 -3.511 -8.439 1.00 0.00 C ATOM 234 C GLY A 666 -3.988 -3.564 -7.154 1.00 0.00 C ATOM 235 O GLY A 666 -4.455 -4.631 -6.754 1.00 0.00 O ATOM 0 H GLY A 666 -2.081 -1.769 -8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.795 -3.061 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -2.953 -4.526 -8.760 1.00 0.00 H new ATOM 239 N LYS A 667 -4.148 -2.414 -6.503 1.00 0.00 N ATOM 240 CA LYS A 667 -4.899 -2.350 -5.254 1.00 0.00 C ATOM 241 C LYS A 667 -5.048 -0.911 -4.759 1.00 0.00 C ATOM 242 O LYS A 667 -4.968 -0.654 -3.561 1.00 0.00 O ATOM 243 CB LYS A 667 -4.207 -3.197 -4.181 1.00 0.00 C ATOM 244 CG LYS A 667 -4.755 -4.612 -4.069 1.00 0.00 C ATOM 245 CD LYS A 667 -5.092 -4.970 -2.631 1.00 0.00 C ATOM 246 CE LYS A 667 -4.724 -6.411 -2.315 1.00 0.00 C ATOM 247 NZ LYS A 667 -5.344 -7.366 -3.275 1.00 0.00 N ATOM 0 H LYS A 667 -3.770 -1.520 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 667 -5.896 -2.745 -5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -3.141 -3.247 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.310 -2.700 -3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.648 -4.707 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.022 -5.318 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -4.561 -4.301 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.157 -4.819 -2.457 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -3.640 -6.523 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -5.046 -6.654 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -5.227 -8.338 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -6.357 -7.153 -3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.882 -7.276 -4.202 1.00 0.00 H new ATOM 261 N ILE A 668 -5.273 0.027 -5.680 1.00 0.00 N ATOM 262 CA ILE A 668 -5.439 1.434 -5.306 1.00 0.00 C ATOM 263 C ILE A 668 -6.497 1.569 -4.228 1.00 0.00 C ATOM 264 O ILE A 668 -6.244 2.089 -3.142 1.00 0.00 O ATOM 265 CB ILE A 668 -5.851 2.302 -6.516 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.635 2.603 -7.380 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.510 3.602 -6.065 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.051 1.377 -8.038 1.00 0.00 C ATOM 0 H ILE A 668 -5.344 -0.158 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.476 1.784 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.579 1.742 -7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.914 3.322 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.869 3.076 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.789 4.191 -6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.402 3.374 -5.481 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.811 4.171 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.188 1.663 -8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.741 0.666 -7.272 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.802 0.915 -8.679 1.00 0.00 H new ATOM 280 N GLU A 669 -7.683 1.085 -4.546 1.00 0.00 N ATOM 281 CA GLU A 669 -8.803 1.126 -3.628 1.00 0.00 C ATOM 282 C GLU A 669 -8.397 0.572 -2.271 1.00 0.00 C ATOM 283 O GLU A 669 -8.799 1.091 -1.229 1.00 0.00 O ATOM 284 CB GLU A 669 -9.955 0.325 -4.224 1.00 0.00 C ATOM 285 CG GLU A 669 -11.318 0.969 -4.024 1.00 0.00 C ATOM 286 CD GLU A 669 -11.662 1.955 -5.123 1.00 0.00 C ATOM 287 OE1 GLU A 669 -10.728 2.544 -5.707 1.00 0.00 O ATOM 288 OE2 GLU A 669 -12.866 2.140 -5.399 1.00 0.00 O ATOM 0 H GLU A 669 -7.896 0.654 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.122 2.157 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.779 0.193 -5.292 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.964 -0.669 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -12.081 0.192 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.336 1.481 -3.062 1.00 0.00 H new ATOM 295 N GLU A 670 -7.566 -0.461 -2.293 1.00 0.00 N ATOM 296 CA GLU A 670 -7.071 -1.058 -1.064 1.00 0.00 C ATOM 297 C GLU A 670 -5.939 -0.209 -0.514 1.00 0.00 C ATOM 298 O GLU A 670 -5.716 -0.167 0.696 1.00 0.00 O ATOM 299 CB GLU A 670 -6.596 -2.492 -1.310 1.00 0.00 C ATOM 300 CG GLU A 670 -7.623 -3.547 -0.930 1.00 0.00 C ATOM 301 CD GLU A 670 -8.564 -3.880 -2.070 1.00 0.00 C ATOM 302 OE1 GLU A 670 -8.829 -2.987 -2.903 1.00 0.00 O ATOM 303 OE2 GLU A 670 -9.038 -5.035 -2.131 1.00 0.00 O ATOM 0 H GLU A 670 -7.222 -0.901 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.881 -1.095 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -6.343 -2.606 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.682 -2.666 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.107 -4.453 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.202 -3.194 -0.077 1.00 0.00 H new ATOM 310 N ALA A 671 -5.238 0.499 -1.404 1.00 0.00 N ATOM 311 CA ALA A 671 -4.160 1.365 -0.975 1.00 0.00 C ATOM 312 C ALA A 671 -4.721 2.443 -0.065 1.00 0.00 C ATOM 313 O ALA A 671 -4.074 2.858 0.897 1.00 0.00 O ATOM 314 CB ALA A 671 -3.437 1.967 -2.165 1.00 0.00 C ATOM 0 H ALA A 671 -5.402 0.484 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.426 0.779 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.632 2.613 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.020 1.169 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.139 2.552 -2.759 1.00 0.00 H new ATOM 320 N GLU A 672 -5.955 2.863 -0.347 1.00 0.00 N ATOM 321 CA GLU A 672 -6.615 3.852 0.488 1.00 0.00 C ATOM 322 C GLU A 672 -6.751 3.292 1.899 1.00 0.00 C ATOM 323 O GLU A 672 -6.808 4.037 2.878 1.00 0.00 O ATOM 324 CB GLU A 672 -7.990 4.212 -0.082 1.00 0.00 C ATOM 325 CG GLU A 672 -7.996 4.393 -1.593 1.00 0.00 C ATOM 326 CD GLU A 672 -8.490 5.764 -2.014 1.00 0.00 C ATOM 327 OE1 GLU A 672 -9.722 5.976 -2.014 1.00 0.00 O ATOM 328 OE2 GLU A 672 -7.647 6.623 -2.344 1.00 0.00 O ATOM 0 H GLU A 672 -6.508 2.535 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 672 -6.018 4.763 0.512 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.700 3.429 0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.339 5.132 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.988 4.240 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.628 3.629 -2.044 1.00 0.00 H new ATOM 335 N ALA A 673 -6.770 1.961 1.987 1.00 0.00 N ATOM 336 CA ALA A 673 -6.860 1.277 3.264 1.00 0.00 C ATOM 337 C ALA A 673 -5.508 1.310 3.958 1.00 0.00 C ATOM 338 O ALA A 673 -5.423 1.472 5.175 1.00 0.00 O ATOM 339 CB ALA A 673 -7.332 -0.157 3.071 1.00 0.00 C ATOM 0 H ALA A 673 -6.724 1.338 1.180 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.591 1.789 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.393 -0.653 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.315 -0.156 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.626 -0.690 2.434 1.00 0.00 H new ATOM 345 N ILE A 674 -4.449 1.180 3.163 1.00 0.00 N ATOM 346 CA ILE A 674 -3.094 1.222 3.690 1.00 0.00 C ATOM 347 C ILE A 674 -2.841 2.576 4.330 1.00 0.00 C ATOM 348 O ILE A 674 -2.309 2.665 5.430 1.00 0.00 O ATOM 349 CB ILE A 674 -2.045 0.968 2.583 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.887 -0.525 2.337 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.697 1.572 2.950 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.685 -1.029 1.166 1.00 0.00 C ATOM 0 H ILE A 674 -4.506 1.045 2.154 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.996 0.431 4.434 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.401 1.449 1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.833 -0.748 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.190 -1.067 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.019 1.376 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.805 2.648 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.338 1.125 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.524 -2.101 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.744 -0.838 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.366 -0.514 0.260 1.00 0.00 H new ATOM 364 N GLU A 675 -3.239 3.633 3.634 1.00 0.00 N ATOM 365 CA GLU A 675 -3.063 4.984 4.142 1.00 0.00 C ATOM 366 C GLU A 675 -3.552 5.081 5.584 1.00 0.00 C ATOM 367 O GLU A 675 -3.075 5.908 6.358 1.00 0.00 O ATOM 368 CB GLU A 675 -3.798 5.986 3.251 1.00 0.00 C ATOM 369 CG GLU A 675 -2.884 7.033 2.634 1.00 0.00 C ATOM 370 CD GLU A 675 -2.301 7.978 3.667 1.00 0.00 C ATOM 371 OE1 GLU A 675 -2.920 8.140 4.739 1.00 0.00 O ATOM 372 OE2 GLU A 675 -1.226 8.556 3.402 1.00 0.00 O ATOM 0 H GLU A 675 -3.685 3.580 2.718 1.00 0.00 H new ATOM 0 HA GLU A 675 -2.000 5.226 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.308 5.445 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.567 6.487 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.073 6.535 2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -3.442 7.608 1.895 1.00 0.00 H new ATOM 379 N LYS A 676 -4.499 4.218 5.945 1.00 0.00 N ATOM 380 CA LYS A 676 -5.029 4.202 7.303 1.00 0.00 C ATOM 381 C LYS A 676 -3.961 3.752 8.298 1.00 0.00 C ATOM 382 O LYS A 676 -3.993 4.138 9.466 1.00 0.00 O ATOM 383 CB LYS A 676 -6.253 3.284 7.384 1.00 0.00 C ATOM 384 CG LYS A 676 -7.434 3.909 8.108 1.00 0.00 C ATOM 385 CD LYS A 676 -8.383 4.594 7.139 1.00 0.00 C ATOM 386 CE LYS A 676 -9.408 5.446 7.870 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.387 4.613 8.621 1.00 0.00 N ATOM 0 H LYS A 676 -4.912 3.526 5.320 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.332 5.216 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.560 3.011 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.972 2.362 7.893 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.971 3.139 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.073 4.633 8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -7.813 5.219 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.895 3.843 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -8.897 6.117 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.939 6.072 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.069 5.231 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.893 3.991 7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -9.884 4.035 9.324 1.00 0.00 H new ATOM 401 N THR A 677 -3.006 2.948 7.831 1.00 0.00 N ATOM 402 CA THR A 677 -1.930 2.476 8.697 1.00 0.00 C ATOM 403 C THR A 677 -1.069 3.648 9.150 1.00 0.00 C ATOM 404 O THR A 677 -0.478 3.616 10.225 1.00 0.00 O ATOM 405 CB THR A 677 -1.060 1.425 7.993 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.714 0.903 6.850 1.00 0.00 O ATOM 407 CG2 THR A 677 -0.708 0.257 8.887 1.00 0.00 C ATOM 0 H THR A 677 -2.956 2.614 6.869 1.00 0.00 H new ATOM 0 HA THR A 677 -2.386 2.005 9.568 1.00 0.00 H new ATOM 0 HB THR A 677 -0.146 1.949 7.714 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.795 1.605 6.171 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.092 -0.452 8.334 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.156 0.617 9.755 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.622 -0.237 9.217 1.00 0.00 H new ATOM 415 N LEU A 678 -1.016 4.695 8.328 1.00 0.00 N ATOM 416 CA LEU A 678 -0.240 5.883 8.663 1.00 0.00 C ATOM 417 C LEU A 678 -0.649 6.394 10.036 1.00 0.00 C ATOM 418 O LEU A 678 0.171 6.925 10.784 1.00 0.00 O ATOM 419 CB LEU A 678 -0.437 6.978 7.612 1.00 0.00 C ATOM 420 CG LEU A 678 0.528 6.919 6.428 1.00 0.00 C ATOM 421 CD1 LEU A 678 -0.023 6.018 5.334 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.796 8.316 5.890 1.00 0.00 C ATOM 0 H LEU A 678 -1.499 4.743 7.431 1.00 0.00 H new ATOM 0 HA LEU A 678 0.816 5.614 8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.457 6.917 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -0.334 7.949 8.097 1.00 0.00 H new ATOM 0 HG LEU A 678 1.472 6.498 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 678 0.678 5.989 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 678 -0.161 5.011 5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 678 -0.981 6.408 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.485 8.255 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.141 8.765 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 678 1.237 8.930 6.675 1.00 0.00 H new ATOM 434 N LYS A 679 -1.925 6.205 10.371 1.00 0.00 N ATOM 435 CA LYS A 679 -2.438 6.624 11.669 1.00 0.00 C ATOM 436 C LYS A 679 -1.688 5.911 12.797 1.00 0.00 C ATOM 437 O LYS A 679 -1.737 6.336 13.950 1.00 0.00 O ATOM 438 CB LYS A 679 -3.935 6.328 11.768 1.00 0.00 C ATOM 439 CG LYS A 679 -4.557 6.765 13.084 1.00 0.00 C ATOM 440 CD LYS A 679 -5.996 6.292 13.207 1.00 0.00 C ATOM 441 CE LYS A 679 -6.952 7.215 12.469 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.191 6.763 11.070 1.00 0.00 N ATOM 0 H LYS A 679 -2.617 5.767 9.763 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.283 7.698 11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.451 6.829 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.094 5.258 11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -3.971 6.369 13.913 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.523 7.852 13.160 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.083 5.282 12.807 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.275 6.244 14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.901 7.258 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.546 8.226 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.136 7.579 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.470 6.063 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -8.135 6.331 11.001 1.00 0.00 H new ATOM 456 N ASN A 680 -0.996 4.823 12.447 1.00 0.00 N ATOM 457 CA ASN A 680 -0.226 4.036 13.410 1.00 0.00 C ATOM 458 C ASN A 680 0.502 4.931 14.412 1.00 0.00 C ATOM 459 O ASN A 680 1.186 5.881 14.028 1.00 0.00 O ATOM 460 CB ASN A 680 0.784 3.149 12.670 1.00 0.00 C ATOM 461 CG ASN A 680 1.895 3.950 12.020 1.00 0.00 C ATOM 462 OD1 ASN A 680 1.865 4.214 10.817 1.00 0.00 O ATOM 463 ND2 ASN A 680 2.886 4.341 12.814 1.00 0.00 N ATOM 0 H ASN A 680 -0.955 4.466 11.493 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.924 3.410 13.966 1.00 0.00 H new ATOM 0 HB2 ASN A 680 1.217 2.435 13.371 1.00 0.00 H new ATOM 0 HB3 ASN A 680 0.264 2.570 11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 680 3.662 4.882 12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 680 2.871 4.100 13.805 1.00 0.00 H new ATOM 470 N LYS A 681 0.350 4.621 15.696 1.00 0.00 N ATOM 471 CA LYS A 681 0.993 5.395 16.751 1.00 0.00 C ATOM 472 C LYS A 681 0.905 4.670 18.089 1.00 0.00 C ATOM 473 O LYS A 681 0.792 5.299 19.141 1.00 0.00 O ATOM 474 CB LYS A 681 0.346 6.777 16.863 1.00 0.00 C ATOM 475 CG LYS A 681 1.187 7.781 17.635 1.00 0.00 C ATOM 476 CD LYS A 681 0.351 8.958 18.111 1.00 0.00 C ATOM 477 CE LYS A 681 -0.113 9.820 16.948 1.00 0.00 C ATOM 478 NZ LYS A 681 -0.137 11.265 17.304 1.00 0.00 N ATOM 0 H LYS A 681 -0.213 3.839 16.030 1.00 0.00 H new ATOM 0 HA LYS A 681 2.045 5.513 16.491 1.00 0.00 H new ATOM 0 HB2 LYS A 681 0.161 7.165 15.861 1.00 0.00 H new ATOM 0 HB3 LYS A 681 -0.624 6.677 17.350 1.00 0.00 H new ATOM 0 HG2 LYS A 681 1.647 7.289 18.492 1.00 0.00 H new ATOM 0 HG3 LYS A 681 1.998 8.141 17.002 1.00 0.00 H new ATOM 0 HD2 LYS A 681 -0.515 8.591 18.661 1.00 0.00 H new ATOM 0 HD3 LYS A 681 0.935 9.564 18.804 1.00 0.00 H new ATOM 0 HE2 LYS A 681 0.549 9.667 16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 681 -1.110 9.506 16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 -0.459 11.819 16.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 -0.788 11.415 18.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 0.819 11.572 17.575 1.00 0.00 H new ATOM 492 N GLN A 682 0.958 3.343 18.042 1.00 0.00 N ATOM 493 CA GLN A 682 0.885 2.531 19.251 1.00 0.00 C ATOM 494 C GLN A 682 1.766 1.292 19.129 1.00 0.00 C ATOM 495 O GLN A 682 1.433 0.228 19.651 1.00 0.00 O ATOM 496 CB GLN A 682 -0.562 2.118 19.525 1.00 0.00 C ATOM 497 CG GLN A 682 -1.345 3.141 20.332 1.00 0.00 C ATOM 498 CD GLN A 682 -2.821 2.809 20.417 1.00 0.00 C ATOM 499 OE1 GLN A 682 -3.633 3.342 19.661 1.00 0.00 O ATOM 500 NE2 GLN A 682 -3.177 1.925 21.342 1.00 0.00 N ATOM 0 H GLN A 682 1.051 2.807 17.179 1.00 0.00 H new ATOM 0 HA GLN A 682 1.249 3.131 20.085 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.070 1.952 18.575 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -0.565 1.168 20.059 1.00 0.00 H new ATOM 0 HG2 GLN A 682 -0.931 3.199 21.339 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -1.223 4.125 19.880 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -2.470 1.508 21.948 1.00 0.00 H new ATOM 0 HE22 GLN A 682 -4.157 1.663 21.447 1.00 0.00 H new ATOM 509 N ASN A 683 2.892 1.439 18.438 1.00 0.00 N ATOM 510 CA ASN A 683 3.821 0.331 18.248 1.00 0.00 C ATOM 511 C ASN A 683 5.267 0.812 18.335 1.00 0.00 C ATOM 512 O ASN A 683 6.131 0.011 18.747 1.00 0.00 O ATOM 513 CB ASN A 683 3.577 -0.342 16.896 1.00 0.00 C ATOM 514 CG ASN A 683 3.777 -1.843 16.953 1.00 0.00 C ATOM 515 OD1 ASN A 683 2.813 -2.608 17.015 1.00 0.00 O ATOM 516 ND2 ASN A 683 5.032 -2.274 16.933 1.00 0.00 N ATOM 517 OXT ASN A 683 5.520 1.986 17.992 1.00 0.00 O ATOM 0 H ASN A 683 3.183 2.313 18.001 1.00 0.00 H new ATOM 0 HA ASN A 683 3.649 -0.394 19.043 1.00 0.00 H new ATOM 0 HB2 ASN A 683 2.562 -0.126 16.564 1.00 0.00 H new ATOM 0 HB3 ASN A 683 4.253 0.084 16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 683 5.228 -3.274 16.970 1.00 0.00 H new ATOM 0 HD22 ASN A 683 5.800 -1.605 16.881 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -25.901 -8.670 1.502 1.00 0.00 N ATOM 526 CA ARG B 405 -25.137 -9.137 0.311 1.00 0.00 C ATOM 527 C ARG B 405 -23.647 -8.805 0.428 1.00 0.00 C ATOM 528 O ARG B 405 -22.799 -9.665 0.187 1.00 0.00 O ATOM 529 CB ARG B 405 -25.726 -8.490 -0.949 1.00 0.00 C ATOM 530 CG ARG B 405 -27.245 -8.421 -0.949 1.00 0.00 C ATOM 531 CD ARG B 405 -27.805 -8.466 -2.361 1.00 0.00 C ATOM 532 NE ARG B 405 -28.239 -9.809 -2.736 1.00 0.00 N ATOM 533 CZ ARG B 405 -28.765 -10.114 -3.921 1.00 0.00 C ATOM 534 NH1 ARG B 405 -28.921 -9.177 -4.846 1.00 0.00 N ATOM 535 NH2 ARG B 405 -29.133 -11.362 -4.180 1.00 0.00 N ATOM 0 HA ARG B 405 -25.224 -10.222 0.249 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -25.326 -7.481 -1.050 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -25.397 -9.052 -1.823 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -27.648 -9.252 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -27.569 -7.504 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -28.647 -7.778 -2.439 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -27.046 -8.121 -3.063 1.00 0.00 H new ATOM 0 HE ARG B 405 -28.133 -10.557 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -28.638 -8.217 -4.652 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -29.324 -9.417 -5.752 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -29.013 -12.086 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -29.536 -11.597 -5.087 1.00 0.00 H new ATOM 550 N PRO B 406 -23.299 -7.557 0.798 1.00 0.00 N ATOM 551 CA PRO B 406 -21.904 -7.143 0.936 1.00 0.00 C ATOM 552 C PRO B 406 -21.303 -7.557 2.279 1.00 0.00 C ATOM 553 O PRO B 406 -21.703 -7.049 3.327 1.00 0.00 O ATOM 554 CB PRO B 406 -21.991 -5.623 0.836 1.00 0.00 C ATOM 555 CG PRO B 406 -23.322 -5.286 1.414 1.00 0.00 C ATOM 556 CD PRO B 406 -24.230 -6.451 1.108 1.00 0.00 C ATOM 0 HA PRO B 406 -21.260 -7.604 0.187 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -21.185 -5.142 1.390 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -21.911 -5.288 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -23.248 -5.124 2.489 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -23.712 -4.366 0.979 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -24.869 -6.693 1.957 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -24.887 -6.235 0.266 1.00 0.00 H new ATOM 564 N PRO B 407 -20.332 -8.488 2.269 1.00 0.00 N ATOM 565 CA PRO B 407 -19.683 -8.962 3.498 1.00 0.00 C ATOM 566 C PRO B 407 -19.159 -7.814 4.356 1.00 0.00 C ATOM 567 O PRO B 407 -18.879 -6.727 3.850 1.00 0.00 O ATOM 568 CB PRO B 407 -18.523 -9.817 2.982 1.00 0.00 C ATOM 569 CG PRO B 407 -18.958 -10.270 1.632 1.00 0.00 C ATOM 570 CD PRO B 407 -19.788 -9.150 1.069 1.00 0.00 C ATOM 0 HA PRO B 407 -20.376 -9.505 4.141 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -17.600 -9.240 2.928 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -18.332 -10.664 3.641 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -18.099 -10.478 0.994 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -19.537 -11.191 1.697 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -19.186 -8.466 0.471 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -20.582 -9.524 0.422 1.00 0.00 H new ATOM 578 N PRO B 408 -19.017 -8.041 5.673 1.00 0.00 N ATOM 579 CA PRO B 408 -18.524 -7.020 6.602 1.00 0.00 C ATOM 580 C PRO B 408 -17.042 -6.722 6.400 1.00 0.00 C ATOM 581 O PRO B 408 -16.349 -7.435 5.676 1.00 0.00 O ATOM 582 CB PRO B 408 -18.760 -7.646 7.979 1.00 0.00 C ATOM 583 CG PRO B 408 -18.748 -9.115 7.732 1.00 0.00 C ATOM 584 CD PRO B 408 -19.328 -9.310 6.360 1.00 0.00 C ATOM 0 HA PRO B 408 -19.029 -6.064 6.462 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -17.981 -7.356 8.685 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -19.711 -7.323 8.403 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -17.734 -9.511 7.787 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -19.337 -9.642 8.483 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -18.878 -10.163 5.851 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -20.402 -9.492 6.400 1.00 0.00 H new ATOM 592 N ALA B 409 -16.564 -5.662 7.044 1.00 0.00 N ATOM 593 CA ALA B 409 -15.164 -5.269 6.935 1.00 0.00 C ATOM 594 C ALA B 409 -14.798 -4.943 5.491 1.00 0.00 C ATOM 595 O ALA B 409 -15.646 -4.983 4.600 1.00 0.00 O ATOM 596 CB ALA B 409 -14.263 -6.371 7.474 1.00 0.00 C ATOM 0 H ALA B 409 -17.125 -5.060 7.646 1.00 0.00 H new ATOM 0 HA ALA B 409 -15.016 -4.370 7.533 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -13.221 -6.064 7.386 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -14.500 -6.555 8.522 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -14.422 -7.284 6.900 1.00 0.00 H new ATOM 602 N HIS B 410 -13.528 -4.619 5.267 1.00 0.00 N ATOM 603 CA HIS B 410 -13.048 -4.286 3.931 1.00 0.00 C ATOM 604 C HIS B 410 -11.729 -4.992 3.634 1.00 0.00 C ATOM 605 O HIS B 410 -11.556 -5.582 2.568 1.00 0.00 O ATOM 606 CB HIS B 410 -12.873 -2.772 3.793 1.00 0.00 C ATOM 607 CG HIS B 410 -12.679 -2.319 2.379 1.00 0.00 C ATOM 608 ND1 HIS B 410 -11.630 -2.742 1.590 1.00 0.00 N ATOM 609 CD2 HIS B 410 -13.407 -1.474 1.611 1.00 0.00 C ATOM 610 CE1 HIS B 410 -11.721 -2.177 0.399 1.00 0.00 C ATOM 611 NE2 HIS B 410 -12.791 -1.405 0.386 1.00 0.00 N ATOM 0 H HIS B 410 -12.813 -4.580 5.994 1.00 0.00 H new ATOM 0 HA HIS B 410 -13.791 -4.627 3.210 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -13.749 -2.274 4.209 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -12.015 -2.458 4.388 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -14.305 -0.952 1.907 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -11.036 -2.322 -0.424 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -13.109 -0.847 -0.406 1.00 0.00 H new ATOM 620 N HIS B 411 -10.802 -4.926 4.584 1.00 0.00 N ATOM 621 CA HIS B 411 -9.498 -5.559 4.423 1.00 0.00 C ATOM 622 C HIS B 411 -9.475 -6.933 5.086 1.00 0.00 C ATOM 623 O HIS B 411 -10.427 -7.323 5.761 1.00 0.00 O ATOM 624 CB HIS B 411 -8.402 -4.674 5.020 1.00 0.00 C ATOM 625 CG HIS B 411 -8.658 -4.281 6.442 1.00 0.00 C ATOM 626 ND1 HIS B 411 -8.546 -5.160 7.499 1.00 0.00 N ATOM 627 CD2 HIS B 411 -9.022 -3.092 6.981 1.00 0.00 C ATOM 628 CE1 HIS B 411 -8.832 -4.531 8.625 1.00 0.00 C ATOM 629 NE2 HIS B 411 -9.123 -3.275 8.338 1.00 0.00 N ATOM 0 H HIS B 411 -10.929 -4.441 5.472 1.00 0.00 H new ATOM 0 HA HIS B 411 -9.312 -5.687 3.357 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -7.450 -5.201 4.963 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -8.304 -3.773 4.415 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -9.199 -2.172 6.443 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -8.828 -4.969 9.612 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -9.381 -2.557 9.015 1.00 0.00 H new ATOM 638 N ASN B 412 -8.381 -7.661 4.888 1.00 0.00 N ATOM 639 CA ASN B 412 -8.234 -8.991 5.466 1.00 0.00 C ATOM 640 C ASN B 412 -6.762 -9.341 5.659 1.00 0.00 C ATOM 641 O ASN B 412 -6.274 -9.414 6.788 1.00 0.00 O ATOM 642 CB ASN B 412 -8.905 -10.036 4.572 1.00 0.00 C ATOM 643 CG ASN B 412 -10.380 -10.200 4.880 1.00 0.00 C ATOM 644 OD1 ASN B 412 -10.853 -9.790 5.940 1.00 0.00 O ATOM 645 ND2 ASN B 412 -11.115 -10.802 3.953 1.00 0.00 N ATOM 0 H ASN B 412 -7.584 -7.352 4.332 1.00 0.00 H new ATOM 0 HA ASN B 412 -8.720 -8.991 6.442 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -8.785 -9.748 3.528 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -8.402 -10.995 4.698 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -12.114 -10.941 4.105 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -10.681 -11.126 3.089 1.00 0.00 H new ATOM 652 N MET B 413 -6.060 -9.555 4.553 1.00 0.00 N ATOM 653 CA MET B 413 -4.642 -9.897 4.600 1.00 0.00 C ATOM 654 C MET B 413 -3.785 -8.733 4.112 1.00 0.00 C ATOM 655 O MET B 413 -4.269 -7.847 3.407 1.00 0.00 O ATOM 656 CB MET B 413 -4.367 -11.140 3.752 1.00 0.00 C ATOM 657 CG MET B 413 -4.970 -11.071 2.359 1.00 0.00 C ATOM 658 SD MET B 413 -4.517 -12.485 1.335 1.00 0.00 S ATOM 659 CE MET B 413 -6.066 -12.807 0.497 1.00 0.00 C ATOM 0 H MET B 413 -6.449 -9.498 3.612 1.00 0.00 H new ATOM 0 HA MET B 413 -4.379 -10.108 5.636 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.289 -11.280 3.666 1.00 0.00 H new ATOM 0 HB3 MET B 413 -4.762 -12.016 4.267 1.00 0.00 H new ATOM 0 HG2 MET B 413 -6.056 -11.019 2.440 1.00 0.00 H new ATOM 0 HG3 MET B 413 -4.642 -10.154 1.870 1.00 0.00 H new ATOM 0 HE1 MET B 413 -5.946 -13.657 -0.175 1.00 0.00 H new ATOM 0 HE2 MET B 413 -6.838 -13.032 1.233 1.00 0.00 H new ATOM 0 HE3 MET B 413 -6.358 -11.928 -0.078 1.00 0.00 H new ATOM 669 N PHE B 414 -2.511 -8.744 4.489 1.00 0.00 N ATOM 670 CA PHE B 414 -1.587 -7.689 4.089 1.00 0.00 C ATOM 671 C PHE B 414 -0.144 -8.186 4.133 1.00 0.00 C ATOM 672 O PHE B 414 0.554 -8.178 3.118 1.00 0.00 O ATOM 673 CB PHE B 414 -1.749 -6.469 4.997 1.00 0.00 C ATOM 674 CG PHE B 414 -1.229 -5.194 4.396 1.00 0.00 C ATOM 675 CD1 PHE B 414 -1.542 -4.846 3.090 1.00 0.00 C ATOM 676 CD2 PHE B 414 -0.425 -4.343 5.136 1.00 0.00 C ATOM 677 CE1 PHE B 414 -1.064 -3.676 2.538 1.00 0.00 C ATOM 678 CE2 PHE B 414 0.056 -3.169 4.588 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.265 -2.836 3.286 1.00 0.00 C ATOM 0 H PHE B 414 -2.095 -9.471 5.071 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.822 -7.402 3.064 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.805 -6.343 5.236 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -1.229 -6.655 5.937 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -2.167 -5.499 2.499 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -0.171 -4.600 6.154 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -1.315 -3.417 1.520 1.00 0.00 H new ATOM 0 HE2 PHE B 414 0.681 -2.513 5.176 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.109 -1.919 2.854 1.00 0.00 H new ATOM 689 N SER B 415 0.296 -8.620 5.311 1.00 0.00 N ATOM 690 CA SER B 415 1.658 -9.122 5.482 1.00 0.00 C ATOM 691 C SER B 415 2.680 -8.101 4.980 1.00 0.00 C ATOM 692 O SER B 415 2.376 -6.913 4.874 1.00 0.00 O ATOM 693 CB SER B 415 1.824 -10.451 4.741 1.00 0.00 C ATOM 694 OG SER B 415 1.920 -10.248 3.342 1.00 0.00 O ATOM 0 H SER B 415 -0.269 -8.635 6.160 1.00 0.00 H new ATOM 0 HA SER B 415 1.835 -9.285 6.545 1.00 0.00 H new ATOM 0 HB2 SER B 415 2.718 -10.961 5.099 1.00 0.00 H new ATOM 0 HB3 SER B 415 0.977 -11.101 4.960 1.00 0.00 H new ATOM 0 HG SER B 415 1.102 -9.818 3.017 1.00 0.00 H new ATOM 700 N VAL B 416 3.889 -8.565 4.667 1.00 0.00 N ATOM 701 CA VAL B 416 4.936 -7.677 4.175 1.00 0.00 C ATOM 702 C VAL B 416 5.628 -8.255 2.938 1.00 0.00 C ATOM 703 O VAL B 416 6.827 -8.535 2.957 1.00 0.00 O ATOM 704 CB VAL B 416 5.996 -7.391 5.260 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.868 -6.213 4.855 1.00 0.00 C ATOM 706 CG2 VAL B 416 5.331 -7.130 6.604 1.00 0.00 C ATOM 0 H VAL B 416 4.165 -9.544 4.745 1.00 0.00 H new ATOM 0 HA VAL B 416 4.445 -6.742 3.904 1.00 0.00 H new ATOM 0 HB VAL B 416 6.632 -8.271 5.360 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.610 -6.025 5.631 1.00 0.00 H new ATOM 0 HG12 VAL B 416 7.374 -6.441 3.917 1.00 0.00 H new ATOM 0 HG13 VAL B 416 6.246 -5.327 4.726 1.00 0.00 H new ATOM 0 HG21 VAL B 416 6.095 -6.931 7.355 1.00 0.00 H new ATOM 0 HG22 VAL B 416 4.670 -6.268 6.521 1.00 0.00 H new ATOM 0 HG23 VAL B 416 4.751 -8.005 6.899 1.00 0.00 H new ATOM 716 N PRO B 417 4.877 -8.427 1.833 1.00 0.00 N ATOM 717 CA PRO B 417 5.416 -8.957 0.574 1.00 0.00 C ATOM 718 C PRO B 417 6.466 -8.028 -0.024 1.00 0.00 C ATOM 719 O PRO B 417 6.424 -6.817 0.197 1.00 0.00 O ATOM 720 CB PRO B 417 4.193 -9.042 -0.351 1.00 0.00 C ATOM 721 CG PRO B 417 3.009 -8.944 0.549 1.00 0.00 C ATOM 722 CD PRO B 417 3.446 -8.105 1.714 1.00 0.00 C ATOM 0 HA PRO B 417 5.913 -9.916 0.718 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.198 -8.235 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO B 417 4.186 -9.979 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.164 -8.487 0.034 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.686 -9.932 0.878 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.285 -7.043 1.530 1.00 0.00 H new ATOM 0 HD3 PRO B 417 2.898 -8.358 2.622 1.00 0.00 H new ATOM 730 N PRO B 418 7.430 -8.568 -0.792 1.00 0.00 N ATOM 731 CA PRO B 418 8.478 -7.750 -1.404 1.00 0.00 C ATOM 732 C PRO B 418 7.867 -6.673 -2.295 1.00 0.00 C ATOM 733 O PRO B 418 6.874 -6.917 -2.979 1.00 0.00 O ATOM 734 CB PRO B 418 9.281 -8.752 -2.240 1.00 0.00 C ATOM 735 CG PRO B 418 8.980 -10.084 -1.642 1.00 0.00 C ATOM 736 CD PRO B 418 7.574 -9.997 -1.117 1.00 0.00 C ATOM 0 HA PRO B 418 9.090 -7.227 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.987 -8.715 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.348 -8.534 -2.200 1.00 0.00 H new ATOM 0 HG2 PRO B 418 9.070 -10.875 -2.387 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.681 -10.319 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.845 -10.317 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.431 -10.627 -0.239 1.00 0.00 H new ATOM 744 N PRO B 419 8.422 -5.449 -2.265 1.00 0.00 N ATOM 745 CA PRO B 419 7.879 -4.331 -3.045 1.00 0.00 C ATOM 746 C PRO B 419 8.083 -4.463 -4.555 1.00 0.00 C ATOM 747 O PRO B 419 9.163 -4.831 -5.018 1.00 0.00 O ATOM 748 CB PRO B 419 8.668 -3.127 -2.522 1.00 0.00 C ATOM 749 CG PRO B 419 9.934 -3.697 -1.985 1.00 0.00 C ATOM 750 CD PRO B 419 9.578 -5.050 -1.443 1.00 0.00 C ATOM 0 HA PRO B 419 6.798 -4.265 -2.924 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.865 -2.409 -3.318 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.113 -2.599 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.689 -3.776 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.349 -3.060 -1.204 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.405 -5.754 -1.542 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.323 -5.005 -0.384 1.00 0.00 H new ATOM 758 N PRO B 420 7.040 -4.127 -5.344 1.00 0.00 N ATOM 759 CA PRO B 420 7.089 -4.167 -6.807 1.00 0.00 C ATOM 760 C PRO B 420 7.858 -2.986 -7.403 1.00 0.00 C ATOM 761 O PRO B 420 8.913 -3.164 -8.011 1.00 0.00 O ATOM 762 CB PRO B 420 5.613 -4.108 -7.235 1.00 0.00 C ATOM 763 CG PRO B 420 4.812 -4.117 -5.972 1.00 0.00 C ATOM 764 CD PRO B 420 5.731 -3.667 -4.878 1.00 0.00 C ATOM 0 HA PRO B 420 7.610 -5.057 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.412 -3.209 -7.817 1.00 0.00 H new ATOM 0 HB3 PRO B 420 5.356 -4.959 -7.865 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.952 -3.452 -6.054 1.00 0.00 H new ATOM 0 HG3 PRO B 420 4.424 -5.115 -5.766 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.705 -2.585 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.465 -4.110 -3.918 1.00 0.00 H new ATOM 772 N ILE B 421 7.303 -1.779 -7.247 1.00 0.00 N ATOM 773 CA ILE B 421 7.925 -0.572 -7.795 1.00 0.00 C ATOM 774 C ILE B 421 8.928 0.055 -6.823 1.00 0.00 C ATOM 775 O ILE B 421 9.412 -0.606 -5.905 1.00 0.00 O ATOM 776 CB ILE B 421 6.859 0.474 -8.245 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.414 1.391 -7.082 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.664 -0.232 -8.878 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.918 1.398 -6.805 1.00 0.00 C ATOM 0 H ILE B 421 6.429 -1.614 -6.748 1.00 0.00 H new ATOM 0 HA ILE B 421 8.481 -0.886 -8.679 1.00 0.00 H new ATOM 0 HB ILE B 421 7.322 1.119 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.935 1.082 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.733 2.410 -7.301 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.926 0.508 -9.188 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.996 -0.800 -9.747 1.00 0.00 H new ATOM 0 HG23 ILE B 421 5.215 -0.909 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.705 2.070 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.385 1.739 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.590 0.390 -6.550 1.00 0.00 H new ATOM 791 N LEU B 422 9.244 1.331 -7.036 1.00 0.00 N ATOM 792 CA LEU B 422 10.191 2.037 -6.182 1.00 0.00 C ATOM 793 C LEU B 422 10.310 3.494 -6.608 1.00 0.00 C ATOM 794 O LEU B 422 11.393 4.077 -6.575 1.00 0.00 O ATOM 795 CB LEU B 422 11.563 1.361 -6.236 1.00 0.00 C ATOM 796 CG LEU B 422 12.343 1.374 -4.919 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.553 2.802 -4.439 1.00 0.00 C ATOM 798 CD2 LEU B 422 11.618 0.556 -3.863 1.00 0.00 C ATOM 0 H LEU B 422 8.857 1.895 -7.793 1.00 0.00 H new ATOM 0 HA LEU B 422 9.821 2.002 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.429 0.326 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.164 1.852 -7.001 1.00 0.00 H new ATOM 0 HG LEU B 422 13.320 0.923 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.109 2.793 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU B 422 13.115 3.359 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU B 422 11.586 3.279 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU B 422 12.187 0.576 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU B 422 10.628 0.978 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU B 422 11.519 -0.474 -4.205 1.00 0.00 H new ATOM 810 N GLY B 423 9.186 4.073 -7.015 1.00 0.00 N ATOM 811 CA GLY B 423 9.179 5.456 -7.449 1.00 0.00 C ATOM 812 C GLY B 423 8.100 6.275 -6.766 1.00 0.00 C ATOM 813 O GLY B 423 7.859 6.120 -5.569 1.00 0.00 O ATOM 0 H GLY B 423 8.279 3.608 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.152 5.902 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY B 423 9.031 5.494 -8.528 1.00 0.00 H new ATOM 817 N ARG B 424 7.452 7.149 -7.529 1.00 0.00 N ATOM 818 CA ARG B 424 6.394 7.995 -6.990 1.00 0.00 C ATOM 819 C ARG B 424 5.041 7.297 -7.080 1.00 0.00 C ATOM 820 O ARG B 424 4.961 6.116 -7.418 1.00 0.00 O ATOM 821 CB ARG B 424 6.344 9.326 -7.744 1.00 0.00 C ATOM 822 CG ARG B 424 7.696 10.012 -7.856 1.00 0.00 C ATOM 823 CD ARG B 424 7.843 10.737 -9.184 1.00 0.00 C ATOM 824 NE ARG B 424 6.679 11.567 -9.486 1.00 0.00 N ATOM 825 CZ ARG B 424 6.403 12.043 -10.698 1.00 0.00 C ATOM 826 NH1 ARG B 424 7.203 11.774 -11.723 1.00 0.00 N ATOM 827 NH2 ARG B 424 5.324 12.789 -10.888 1.00 0.00 N ATOM 0 H ARG B 424 7.641 7.290 -8.521 1.00 0.00 H new ATOM 0 HA ARG B 424 6.615 8.187 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG B 424 5.950 9.152 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG B 424 5.647 9.995 -7.239 1.00 0.00 H new ATOM 0 HG2 ARG B 424 7.814 10.722 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG B 424 8.490 9.273 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG B 424 8.737 11.361 -9.160 1.00 0.00 H new ATOM 0 HD3 ARG B 424 7.985 10.008 -9.982 1.00 0.00 H new ATOM 0 HE ARG B 424 6.041 11.795 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG B 424 8.034 11.200 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG B 424 6.986 12.142 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG B 424 4.705 12.999 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG B 424 5.113 13.153 -11.817 1.00 0.00 H new ATOM 841 N GLY B 425 3.978 8.035 -6.773 1.00 0.00 N ATOM 842 CA GLY B 425 2.643 7.469 -6.825 1.00 0.00 C ATOM 843 C GLY B 425 2.479 6.280 -5.899 1.00 0.00 C ATOM 844 O GLY B 425 1.923 6.459 -4.796 1.00 0.00 O ATOM 845 OXT GLY B 425 2.908 5.169 -6.278 1.00 0.00 O ATOM 0 H GLY B 425 4.018 9.014 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY B 425 1.916 8.236 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY B 425 2.422 7.162 -7.847 1.00 0.00 H new TER 849 GLY B 425