USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 655 SER OG : rot -104:sc= -0.59! USER MOD Set 1.2: A 677 THR OG1 : rot 180:sc= -0.727! USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 661 TYR OH : rot -9:sc= -0.44 USER MOD Single : A 662 TYR OH : rot -101:sc= 1.44 USER MOD Single : A 664 SER OG : rot -57:sc= 1.07 USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.6) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -2.57! K(o=-2.6!,f=-1.9) USER MOD Single : A 683 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.28) USER MOD Single : B 410 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : B 411 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-1.7) USER MOD Single : B 412 ASN : amide:sc= 0.253 K(o=0.25,f=-4!) USER MOD Single : B 413 MET CE :methyl 176:sc= 0 (180deg=-0.0148) USER MOD Single : B 415 SER OG : rot 180:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 4.358 3.065 15.098 1.00 0.00 N ATOM 2 CA GLY A 651 5.812 2.762 15.207 1.00 0.00 C ATOM 3 C GLY A 651 6.428 2.381 13.875 1.00 0.00 C ATOM 4 O GLY A 651 7.622 2.583 13.657 1.00 0.00 O ATOM 0 HA2 GLY A 651 6.332 3.632 15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 651 5.958 1.948 15.917 1.00 0.00 H new ATOM 9 N ALA A 652 5.611 1.829 12.984 1.00 0.00 N ATOM 10 CA ALA A 652 6.082 1.418 11.668 1.00 0.00 C ATOM 11 C ALA A 652 6.020 2.575 10.677 1.00 0.00 C ATOM 12 O ALA A 652 7.046 3.021 10.163 1.00 0.00 O ATOM 13 CB ALA A 652 5.263 0.241 11.159 1.00 0.00 C ATOM 0 H ALA A 652 4.620 1.656 13.150 1.00 0.00 H new ATOM 0 HA ALA A 652 7.123 1.109 11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.625 -0.056 10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.361 -0.596 11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.215 0.531 11.087 1.00 0.00 H new ATOM 19 N ASP A 653 4.810 3.054 10.412 1.00 0.00 N ATOM 20 CA ASP A 653 4.608 4.159 9.480 1.00 0.00 C ATOM 21 C ASP A 653 5.185 3.825 8.109 1.00 0.00 C ATOM 22 O ASP A 653 6.243 4.321 7.726 1.00 0.00 O ATOM 23 CB ASP A 653 5.248 5.438 10.021 1.00 0.00 C ATOM 24 CG ASP A 653 4.456 6.679 9.657 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.804 6.675 8.592 1.00 0.00 O ATOM 26 OD2 ASP A 653 4.491 7.655 10.435 1.00 0.00 O ATOM 0 H ASP A 653 3.952 2.694 10.830 1.00 0.00 H new ATOM 0 HA ASP A 653 3.535 4.319 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.331 5.369 11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.261 5.528 9.628 1.00 0.00 H new ATOM 31 N TYR A 654 4.476 2.973 7.380 1.00 0.00 N ATOM 32 CA TYR A 654 4.905 2.556 6.048 1.00 0.00 C ATOM 33 C TYR A 654 3.760 2.605 5.038 1.00 0.00 C ATOM 34 O TYR A 654 3.981 2.451 3.838 1.00 0.00 O ATOM 35 CB TYR A 654 5.499 1.141 6.097 1.00 0.00 C ATOM 36 CG TYR A 654 4.537 0.055 6.555 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.351 0.360 7.224 1.00 0.00 C ATOM 38 CD2 TYR A 654 4.825 -1.288 6.325 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.495 -0.629 7.643 1.00 0.00 C ATOM 40 CE2 TYR A 654 3.964 -2.285 6.743 1.00 0.00 C ATOM 41 CZ TYR A 654 2.801 -1.950 7.402 1.00 0.00 C ATOM 42 OH TYR A 654 1.942 -2.941 7.822 1.00 0.00 O ATOM 0 H TYR A 654 3.598 2.555 7.688 1.00 0.00 H new ATOM 0 HA TYR A 654 5.670 3.259 5.718 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.868 0.884 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.360 1.148 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.101 1.393 7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 654 5.737 -1.555 5.811 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.583 -0.371 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.201 -3.322 6.554 1.00 0.00 H new ATOM 0 HH TYR A 654 2.305 -3.816 7.572 1.00 0.00 H new ATOM 52 N SER A 655 2.540 2.822 5.525 1.00 0.00 N ATOM 53 CA SER A 655 1.366 2.888 4.660 1.00 0.00 C ATOM 54 C SER A 655 1.582 3.827 3.480 1.00 0.00 C ATOM 55 O SER A 655 0.940 3.682 2.444 1.00 0.00 O ATOM 56 CB SER A 655 0.150 3.339 5.465 1.00 0.00 C ATOM 57 OG SER A 655 -0.232 2.354 6.403 1.00 0.00 O ATOM 0 H SER A 655 2.339 2.955 6.516 1.00 0.00 H new ATOM 0 HA SER A 655 1.194 1.888 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 655 0.378 4.270 5.983 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.681 3.545 4.790 1.00 0.00 H new ATOM 0 HG SER A 655 -1.032 1.888 6.081 1.00 0.00 H new ATOM 63 N ALA A 656 2.481 4.788 3.634 1.00 0.00 N ATOM 64 CA ALA A 656 2.752 5.733 2.564 1.00 0.00 C ATOM 65 C ALA A 656 3.435 5.051 1.401 1.00 0.00 C ATOM 66 O ALA A 656 2.883 4.963 0.303 1.00 0.00 O ATOM 67 CB ALA A 656 3.608 6.886 3.062 1.00 0.00 C ATOM 0 H ALA A 656 3.030 4.932 4.481 1.00 0.00 H new ATOM 0 HA ALA A 656 1.795 6.129 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.797 7.579 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.086 7.407 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.556 6.500 3.436 1.00 0.00 H new ATOM 73 N GLN A 657 4.638 4.565 1.645 1.00 0.00 N ATOM 74 CA GLN A 657 5.387 3.885 0.604 1.00 0.00 C ATOM 75 C GLN A 657 4.733 2.552 0.284 1.00 0.00 C ATOM 76 O GLN A 657 4.921 1.998 -0.798 1.00 0.00 O ATOM 77 CB GLN A 657 6.855 3.666 0.998 1.00 0.00 C ATOM 78 CG GLN A 657 7.255 4.335 2.298 1.00 0.00 C ATOM 79 CD GLN A 657 8.759 4.403 2.484 1.00 0.00 C ATOM 80 OE1 GLN A 657 9.503 3.610 1.910 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.211 5.357 3.290 1.00 0.00 N ATOM 0 H GLN A 657 5.114 4.627 2.545 1.00 0.00 H new ATOM 0 HA GLN A 657 5.376 4.524 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.042 2.595 1.081 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.494 4.040 0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 657 6.844 5.344 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 657 6.814 3.790 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 657 8.556 5.993 3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.213 5.454 3.454 1.00 0.00 H new ATOM 90 N TRP A 658 3.958 2.034 1.233 1.00 0.00 N ATOM 91 CA TRP A 658 3.281 0.768 1.033 1.00 0.00 C ATOM 92 C TRP A 658 2.027 0.974 0.208 1.00 0.00 C ATOM 93 O TRP A 658 1.711 0.165 -0.662 1.00 0.00 O ATOM 94 CB TRP A 658 2.932 0.107 2.369 1.00 0.00 C ATOM 95 CG TRP A 658 3.928 -0.926 2.803 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.699 -1.972 3.650 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.306 -1.017 2.417 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.846 -2.708 3.812 1.00 0.00 N ATOM 99 CE2 TRP A 658 5.846 -2.141 3.066 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.137 -0.259 1.585 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.175 -2.523 2.910 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.456 -0.641 1.432 1.00 0.00 C ATOM 103 CH2 TRP A 658 7.963 -1.764 2.091 1.00 0.00 C ATOM 0 H TRP A 658 3.788 2.471 2.139 1.00 0.00 H new ATOM 0 HA TRP A 658 3.958 0.103 0.497 1.00 0.00 H new ATOM 0 HB2 TRP A 658 2.860 0.876 3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 658 1.949 -0.358 2.290 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.753 -2.189 4.124 1.00 0.00 H new ATOM 0 HE1 TRP A 658 4.939 -3.541 4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 658 5.754 0.610 1.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.570 -3.390 3.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.106 -0.062 0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 658 8.998 -2.038 1.950 1.00 0.00 H new ATOM 114 N ALA A 659 1.326 2.073 0.458 1.00 0.00 N ATOM 115 CA ALA A 659 0.126 2.364 -0.302 1.00 0.00 C ATOM 116 C ALA A 659 0.511 2.775 -1.714 1.00 0.00 C ATOM 117 O ALA A 659 -0.211 2.495 -2.669 1.00 0.00 O ATOM 118 CB ALA A 659 -0.703 3.447 0.371 1.00 0.00 C ATOM 0 H ALA A 659 1.565 2.764 1.169 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.490 1.466 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.596 3.643 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.995 3.115 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.113 4.360 0.451 1.00 0.00 H new ATOM 124 N GLU A 660 1.675 3.422 -1.843 1.00 0.00 N ATOM 125 CA GLU A 660 2.163 3.842 -3.151 1.00 0.00 C ATOM 126 C GLU A 660 2.211 2.644 -4.086 1.00 0.00 C ATOM 127 O GLU A 660 2.043 2.774 -5.299 1.00 0.00 O ATOM 128 CB GLU A 660 3.547 4.499 -3.048 1.00 0.00 C ATOM 129 CG GLU A 660 4.715 3.521 -2.967 1.00 0.00 C ATOM 130 CD GLU A 660 5.625 3.589 -4.178 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.606 4.622 -4.880 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.359 2.610 -4.424 1.00 0.00 O ATOM 0 H GLU A 660 2.287 3.662 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 660 1.476 4.587 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.692 5.145 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.565 5.139 -2.166 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.297 3.731 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.327 2.507 -2.866 1.00 0.00 H new ATOM 139 N TYR A 661 2.429 1.471 -3.501 1.00 0.00 N ATOM 140 CA TYR A 661 2.484 0.239 -4.264 1.00 0.00 C ATOM 141 C TYR A 661 1.100 -0.123 -4.761 1.00 0.00 C ATOM 142 O TYR A 661 0.844 -0.166 -5.962 1.00 0.00 O ATOM 143 CB TYR A 661 3.046 -0.886 -3.400 1.00 0.00 C ATOM 144 CG TYR A 661 4.544 -0.831 -3.286 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.317 -0.698 -4.424 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.183 -0.898 -2.055 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.685 -0.635 -4.351 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.560 -0.831 -1.967 1.00 0.00 C ATOM 149 CZ TYR A 661 7.309 -0.700 -3.122 1.00 0.00 C ATOM 150 OH TYR A 661 8.681 -0.632 -3.046 1.00 0.00 O ATOM 0 H TYR A 661 2.570 1.352 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 661 3.140 0.382 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.607 -0.829 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.752 -1.846 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.835 -0.643 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.596 -1.004 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.272 -0.535 -5.252 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.047 -0.881 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 661 9.062 -0.691 -3.947 1.00 0.00 H new ATOM 160 N TYR A 662 0.206 -0.362 -3.817 1.00 0.00 N ATOM 161 CA TYR A 662 -1.168 -0.706 -4.133 1.00 0.00 C ATOM 162 C TYR A 662 -1.830 0.402 -4.936 1.00 0.00 C ATOM 163 O TYR A 662 -2.833 0.176 -5.609 1.00 0.00 O ATOM 164 CB TYR A 662 -1.929 -0.983 -2.843 1.00 0.00 C ATOM 165 CG TYR A 662 -1.153 -1.886 -1.922 1.00 0.00 C ATOM 166 CD1 TYR A 662 -1.067 -3.250 -2.159 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.477 -1.364 -0.836 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.329 -4.069 -1.329 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.258 -2.168 0.003 1.00 0.00 C ATOM 170 CZ TYR A 662 0.332 -3.523 -0.246 1.00 0.00 C ATOM 171 OH TYR A 662 1.071 -4.334 0.585 1.00 0.00 O ATOM 0 H TYR A 662 0.410 -0.323 -2.818 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.181 -1.606 -4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.141 -0.042 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.889 -1.442 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.585 -3.677 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.527 -0.303 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -0.269 -5.129 -1.525 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.774 -1.742 0.851 1.00 0.00 H new ATOM 0 HH TYR A 662 0.555 -4.530 1.395 1.00 0.00 H new ATOM 181 N ARG A 663 -1.248 1.598 -4.887 1.00 0.00 N ATOM 182 CA ARG A 663 -1.780 2.720 -5.639 1.00 0.00 C ATOM 183 C ARG A 663 -1.382 2.620 -7.108 1.00 0.00 C ATOM 184 O ARG A 663 -1.789 3.442 -7.929 1.00 0.00 O ATOM 185 CB ARG A 663 -1.297 4.050 -5.053 1.00 0.00 C ATOM 186 CG ARG A 663 -2.402 4.862 -4.394 1.00 0.00 C ATOM 187 CD ARG A 663 -2.163 5.025 -2.902 1.00 0.00 C ATOM 188 NE ARG A 663 -1.217 6.100 -2.613 1.00 0.00 N ATOM 189 CZ ARG A 663 -1.538 7.391 -2.619 1.00 0.00 C ATOM 190 NH1 ARG A 663 -2.778 7.773 -2.897 1.00 0.00 N ATOM 191 NH2 ARG A 663 -0.616 8.305 -2.345 1.00 0.00 N ATOM 0 H ARG A 663 -0.415 1.809 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.867 2.685 -5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.516 3.852 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -0.845 4.644 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.462 5.844 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.362 4.372 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -3.110 5.232 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.785 4.089 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 663 -0.254 5.846 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -3.491 7.075 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.018 8.764 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 663 0.339 8.018 -2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -0.862 9.295 -2.350 1.00 0.00 H new ATOM 205 N SER A 664 -0.584 1.606 -7.436 1.00 0.00 N ATOM 206 CA SER A 664 -0.141 1.404 -8.805 1.00 0.00 C ATOM 207 C SER A 664 0.331 -0.029 -9.034 1.00 0.00 C ATOM 208 O SER A 664 1.063 -0.308 -9.982 1.00 0.00 O ATOM 209 CB SER A 664 0.959 2.395 -9.146 1.00 0.00 C ATOM 210 OG SER A 664 1.596 2.062 -10.368 1.00 0.00 O ATOM 0 H SER A 664 -0.234 0.916 -6.771 1.00 0.00 H new ATOM 0 HA SER A 664 -0.990 1.576 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.538 3.398 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.696 2.413 -8.343 1.00 0.00 H new ATOM 0 HG SER A 664 1.960 1.154 -10.311 1.00 0.00 H new ATOM 216 N VAL A 665 -0.118 -0.940 -8.175 1.00 0.00 N ATOM 217 CA VAL A 665 0.233 -2.345 -8.304 1.00 0.00 C ATOM 218 C VAL A 665 -1.008 -3.164 -8.655 1.00 0.00 C ATOM 219 O VAL A 665 -0.907 -4.332 -9.031 1.00 0.00 O ATOM 220 CB VAL A 665 0.901 -2.903 -7.020 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.132 -3.356 -5.994 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.846 -4.044 -7.368 1.00 0.00 C ATOM 0 H VAL A 665 -0.725 -0.727 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 665 0.963 -2.428 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 665 1.475 -2.094 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.377 -3.740 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.760 -2.511 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.753 -4.142 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.307 -4.425 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.287 -4.844 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.621 -3.681 -8.043 1.00 0.00 H new ATOM 232 N GLY A 666 -2.182 -2.534 -8.540 1.00 0.00 N ATOM 233 CA GLY A 666 -3.419 -3.218 -8.864 1.00 0.00 C ATOM 234 C GLY A 666 -4.422 -3.204 -7.727 1.00 0.00 C ATOM 235 O GLY A 666 -5.118 -4.194 -7.501 1.00 0.00 O ATOM 0 H GLY A 666 -2.292 -1.569 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.867 -2.751 -9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.197 -4.251 -9.132 1.00 0.00 H new ATOM 239 N LYS A 667 -4.509 -2.086 -7.011 1.00 0.00 N ATOM 240 CA LYS A 667 -5.450 -1.973 -5.900 1.00 0.00 C ATOM 241 C LYS A 667 -5.389 -0.595 -5.240 1.00 0.00 C ATOM 242 O LYS A 667 -5.251 -0.489 -4.022 1.00 0.00 O ATOM 243 CB LYS A 667 -5.178 -3.063 -4.859 1.00 0.00 C ATOM 244 CG LYS A 667 -3.699 -3.296 -4.587 1.00 0.00 C ATOM 245 CD LYS A 667 -3.243 -4.655 -5.100 1.00 0.00 C ATOM 246 CE LYS A 667 -3.064 -5.650 -3.964 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.213 -6.592 -3.866 1.00 0.00 N ATOM 0 H LYS A 667 -3.945 -1.253 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.452 -2.103 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.671 -2.792 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.627 -3.997 -5.198 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.112 -2.511 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.510 -3.229 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.974 -5.041 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.302 -4.544 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -2.144 -6.214 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -2.955 -5.111 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -4.053 -7.254 -3.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -5.088 -6.056 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.302 -7.125 -4.755 1.00 0.00 H new ATOM 261 N ILE A 668 -5.508 0.460 -6.046 1.00 0.00 N ATOM 262 CA ILE A 668 -5.483 1.827 -5.522 1.00 0.00 C ATOM 263 C ILE A 668 -6.519 1.983 -4.425 1.00 0.00 C ATOM 264 O ILE A 668 -6.217 2.426 -3.318 1.00 0.00 O ATOM 265 CB ILE A 668 -5.767 2.868 -6.627 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.533 3.060 -7.494 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.201 4.202 -6.026 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.049 1.784 -8.138 1.00 0.00 C ATOM 0 H ILE A 668 -5.622 0.396 -7.058 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.483 2.004 -5.126 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.583 2.494 -7.245 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.755 3.790 -8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.731 3.478 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.394 4.916 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.109 4.059 -5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.410 4.585 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.166 1.993 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.796 1.059 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.835 1.376 -8.774 1.00 0.00 H new ATOM 280 N GLU A 669 -7.741 1.601 -4.750 1.00 0.00 N ATOM 281 CA GLU A 669 -8.842 1.675 -3.812 1.00 0.00 C ATOM 282 C GLU A 669 -8.460 1.002 -2.502 1.00 0.00 C ATOM 283 O GLU A 669 -8.818 1.469 -1.421 1.00 0.00 O ATOM 284 CB GLU A 669 -10.065 1.010 -4.432 1.00 0.00 C ATOM 285 CG GLU A 669 -11.365 1.757 -4.181 1.00 0.00 C ATOM 286 CD GLU A 669 -12.496 1.272 -5.065 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.562 0.053 -5.329 1.00 0.00 O ATOM 288 OE2 GLU A 669 -13.315 2.111 -5.495 1.00 0.00 O ATOM 0 H GLU A 669 -7.995 1.233 -5.667 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.076 2.717 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.911 0.919 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.156 -0.002 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.651 1.641 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.207 2.822 -4.352 1.00 0.00 H new ATOM 295 N GLU A 670 -7.697 -0.076 -2.611 1.00 0.00 N ATOM 296 CA GLU A 670 -7.224 -0.789 -1.438 1.00 0.00 C ATOM 297 C GLU A 670 -6.028 -0.057 -0.856 1.00 0.00 C ATOM 298 O GLU A 670 -5.786 -0.107 0.350 1.00 0.00 O ATOM 299 CB GLU A 670 -6.849 -2.229 -1.793 1.00 0.00 C ATOM 300 CG GLU A 670 -7.168 -3.230 -0.694 1.00 0.00 C ATOM 301 CD GLU A 670 -5.975 -3.516 0.197 1.00 0.00 C ATOM 302 OE1 GLU A 670 -4.973 -4.064 -0.309 1.00 0.00 O ATOM 303 OE2 GLU A 670 -6.043 -3.194 1.402 1.00 0.00 O ATOM 0 H GLU A 670 -7.394 -0.474 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 670 -8.022 -0.825 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.376 -2.519 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.783 -2.274 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.988 -2.848 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.512 -4.161 -1.144 1.00 0.00 H new ATOM 310 N ALA A 671 -5.292 0.654 -1.715 1.00 0.00 N ATOM 311 CA ALA A 671 -4.149 1.416 -1.255 1.00 0.00 C ATOM 312 C ALA A 671 -4.609 2.469 -0.262 1.00 0.00 C ATOM 313 O ALA A 671 -3.910 2.777 0.703 1.00 0.00 O ATOM 314 CB ALA A 671 -3.413 2.050 -2.421 1.00 0.00 C ATOM 0 H ALA A 671 -5.471 0.712 -2.717 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.451 0.743 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.560 2.616 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.063 1.270 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.087 2.720 -2.956 1.00 0.00 H new ATOM 320 N GLU A 672 -5.815 2.994 -0.484 1.00 0.00 N ATOM 321 CA GLU A 672 -6.381 3.980 0.424 1.00 0.00 C ATOM 322 C GLU A 672 -6.574 3.349 1.797 1.00 0.00 C ATOM 323 O GLU A 672 -6.571 4.038 2.818 1.00 0.00 O ATOM 324 CB GLU A 672 -7.714 4.504 -0.116 1.00 0.00 C ATOM 325 CG GLU A 672 -7.688 4.821 -1.603 1.00 0.00 C ATOM 326 CD GLU A 672 -8.362 6.138 -1.931 1.00 0.00 C ATOM 327 OE1 GLU A 672 -9.592 6.240 -1.736 1.00 0.00 O ATOM 328 OE2 GLU A 672 -7.661 7.068 -2.384 1.00 0.00 O ATOM 0 H GLU A 672 -6.410 2.753 -1.277 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.696 4.824 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.490 3.763 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -7.990 5.404 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.654 4.851 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.182 4.018 -2.150 1.00 0.00 H new ATOM 335 N ALA A 673 -6.717 2.024 1.811 1.00 0.00 N ATOM 336 CA ALA A 673 -6.882 1.286 3.052 1.00 0.00 C ATOM 337 C ALA A 673 -5.561 1.232 3.802 1.00 0.00 C ATOM 338 O ALA A 673 -5.527 1.282 5.031 1.00 0.00 O ATOM 339 CB ALA A 673 -7.400 -0.117 2.774 1.00 0.00 C ATOM 0 H ALA A 673 -6.721 1.443 0.972 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.616 1.800 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.517 -0.655 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -8.364 -0.056 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.691 -0.648 2.139 1.00 0.00 H new ATOM 345 N ILE A 674 -4.471 1.149 3.046 1.00 0.00 N ATOM 346 CA ILE A 674 -3.141 1.112 3.630 1.00 0.00 C ATOM 347 C ILE A 674 -2.881 2.393 4.403 1.00 0.00 C ATOM 348 O ILE A 674 -2.444 2.360 5.549 1.00 0.00 O ATOM 349 CB ILE A 674 -2.055 0.928 2.545 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.930 -0.542 2.180 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.706 1.458 3.002 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.677 -0.911 0.933 1.00 0.00 C ATOM 0 H ILE A 674 -4.486 1.106 2.027 1.00 0.00 H new ATOM 0 HA ILE A 674 -3.094 0.259 4.307 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.362 1.501 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.876 -0.788 2.050 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -2.299 -1.147 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.030 1.310 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.790 2.522 3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.389 0.923 3.897 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.545 -1.974 0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.737 -0.696 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.293 -0.332 0.094 1.00 0.00 H new ATOM 364 N GLU A 675 -3.165 3.525 3.771 1.00 0.00 N ATOM 365 CA GLU A 675 -2.971 4.819 4.409 1.00 0.00 C ATOM 366 C GLU A 675 -3.533 4.805 5.827 1.00 0.00 C ATOM 367 O GLU A 675 -3.041 5.510 6.708 1.00 0.00 O ATOM 368 CB GLU A 675 -3.628 5.923 3.577 1.00 0.00 C ATOM 369 CG GLU A 675 -2.639 6.940 3.031 1.00 0.00 C ATOM 370 CD GLU A 675 -1.969 7.748 4.126 1.00 0.00 C ATOM 371 OE1 GLU A 675 -2.006 7.310 5.294 1.00 0.00 O ATOM 372 OE2 GLU A 675 -1.408 8.819 3.814 1.00 0.00 O ATOM 0 H GLU A 675 -3.530 3.572 2.820 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.902 5.022 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.166 5.469 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.366 6.439 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -1.877 6.423 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -3.157 7.616 2.351 1.00 0.00 H new ATOM 379 N LYS A 676 -4.558 3.983 6.046 1.00 0.00 N ATOM 380 CA LYS A 676 -5.167 3.868 7.365 1.00 0.00 C ATOM 381 C LYS A 676 -4.140 3.409 8.397 1.00 0.00 C ATOM 382 O LYS A 676 -4.156 3.863 9.540 1.00 0.00 O ATOM 383 CB LYS A 676 -6.350 2.898 7.324 1.00 0.00 C ATOM 384 CG LYS A 676 -7.555 3.375 8.119 1.00 0.00 C ATOM 385 CD LYS A 676 -8.381 4.377 7.327 1.00 0.00 C ATOM 386 CE LYS A 676 -9.803 4.469 7.859 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.734 3.579 7.114 1.00 0.00 N ATOM 0 H LYS A 676 -4.980 3.391 5.330 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.532 4.852 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.647 2.744 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -6.030 1.931 7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -8.176 2.521 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.221 3.832 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -7.909 5.358 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.402 4.084 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.813 4.202 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -10.151 5.499 7.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.692 3.672 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.744 3.850 6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -10.417 2.593 7.203 1.00 0.00 H new ATOM 401 N THR A 677 -3.233 2.527 7.985 1.00 0.00 N ATOM 402 CA THR A 677 -2.191 2.047 8.888 1.00 0.00 C ATOM 403 C THR A 677 -1.230 3.185 9.205 1.00 0.00 C ATOM 404 O THR A 677 -0.580 3.192 10.251 1.00 0.00 O ATOM 405 CB THR A 677 -1.427 0.855 8.293 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.878 0.562 6.983 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.563 -0.407 9.115 1.00 0.00 C ATOM 0 H THR A 677 -3.198 2.134 7.044 1.00 0.00 H new ATOM 0 HA THR A 677 -2.668 1.702 9.805 1.00 0.00 H new ATOM 0 HB THR A 677 -0.381 1.161 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.375 -0.200 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 677 -1.001 -1.212 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 677 -1.172 -0.232 10.117 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.614 -0.688 9.179 1.00 0.00 H new ATOM 415 N LEU A 678 -1.162 4.161 8.300 1.00 0.00 N ATOM 416 CA LEU A 678 -0.302 5.319 8.490 1.00 0.00 C ATOM 417 C LEU A 678 -0.644 6.004 9.804 1.00 0.00 C ATOM 418 O LEU A 678 0.229 6.543 10.483 1.00 0.00 O ATOM 419 CB LEU A 678 -0.462 6.301 7.327 1.00 0.00 C ATOM 420 CG LEU A 678 0.819 7.029 6.915 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.491 6.308 5.757 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.514 8.472 6.539 1.00 0.00 C ATOM 0 H LEU A 678 -1.694 4.169 7.430 1.00 0.00 H new ATOM 0 HA LEU A 678 0.735 4.985 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.848 5.759 6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.213 7.043 7.598 1.00 0.00 H new ATOM 0 HG LEU A 678 1.503 7.031 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.401 6.839 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.743 5.291 6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.812 6.276 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.436 8.975 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.187 8.490 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.074 8.986 7.394 1.00 0.00 H new ATOM 434 N LYS A 679 -1.926 5.960 10.166 1.00 0.00 N ATOM 435 CA LYS A 679 -2.386 6.559 11.413 1.00 0.00 C ATOM 436 C LYS A 679 -1.589 6.013 12.597 1.00 0.00 C ATOM 437 O LYS A 679 -1.486 6.657 13.640 1.00 0.00 O ATOM 438 CB LYS A 679 -3.877 6.284 11.615 1.00 0.00 C ATOM 439 CG LYS A 679 -4.442 6.894 12.888 1.00 0.00 C ATOM 440 CD LYS A 679 -5.955 7.019 12.821 1.00 0.00 C ATOM 441 CE LYS A 679 -6.439 8.287 13.506 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.884 8.540 13.250 1.00 0.00 N ATOM 0 H LYS A 679 -2.660 5.517 9.614 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.230 7.636 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.429 6.674 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.040 5.206 11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -4.164 6.277 13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.001 7.878 13.048 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -6.275 7.022 11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -6.414 6.151 13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -6.269 8.207 14.580 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.854 9.136 13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -8.175 9.413 13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -8.043 8.642 12.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -8.445 7.742 13.610 1.00 0.00 H new ATOM 456 N ASN A 680 -1.023 4.818 12.420 1.00 0.00 N ATOM 457 CA ASN A 680 -0.230 4.176 13.464 1.00 0.00 C ATOM 458 C ASN A 680 0.791 5.145 14.059 1.00 0.00 C ATOM 459 O ASN A 680 1.160 5.031 15.227 1.00 0.00 O ATOM 460 CB ASN A 680 0.487 2.947 12.898 1.00 0.00 C ATOM 461 CG ASN A 680 1.260 2.187 13.959 1.00 0.00 C ATOM 462 OD1 ASN A 680 1.132 2.463 15.153 1.00 0.00 O ATOM 463 ND2 ASN A 680 2.067 1.225 13.529 1.00 0.00 N ATOM 0 H ASN A 680 -1.101 4.276 11.560 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.908 3.866 14.259 1.00 0.00 H new ATOM 0 HB2 ASN A 680 -0.245 2.282 12.440 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.171 3.260 12.109 1.00 0.00 H new ATOM 0 HD21 ASN A 680 2.612 0.680 14.197 1.00 0.00 H new ATOM 0 HD22 ASN A 680 2.142 1.031 12.531 1.00 0.00 H new ATOM 470 N LYS A 681 1.241 6.095 13.245 1.00 0.00 N ATOM 471 CA LYS A 681 2.219 7.081 13.691 1.00 0.00 C ATOM 472 C LYS A 681 1.720 8.499 13.427 1.00 0.00 C ATOM 473 O LYS A 681 2.503 9.395 13.113 1.00 0.00 O ATOM 474 CB LYS A 681 3.558 6.857 12.987 1.00 0.00 C ATOM 475 CG LYS A 681 4.513 5.968 13.768 1.00 0.00 C ATOM 476 CD LYS A 681 5.529 6.790 14.546 1.00 0.00 C ATOM 477 CE LYS A 681 5.823 6.173 15.903 1.00 0.00 C ATOM 478 NZ LYS A 681 6.015 7.208 16.956 1.00 0.00 N ATOM 0 H LYS A 681 0.945 6.203 12.275 1.00 0.00 H new ATOM 0 HA LYS A 681 2.358 6.959 14.765 1.00 0.00 H new ATOM 0 HB2 LYS A 681 3.375 6.410 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 681 4.033 7.822 12.812 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.947 5.341 14.457 1.00 0.00 H new ATOM 0 HG3 LYS A 681 5.033 5.299 13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 681 6.453 6.867 13.972 1.00 0.00 H new ATOM 0 HD3 LYS A 681 5.152 7.804 14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 681 5.002 5.514 16.187 1.00 0.00 H new ATOM 0 HE3 LYS A 681 6.718 5.555 15.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 6.213 6.745 17.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 6.814 7.821 16.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 5.152 7.782 17.040 1.00 0.00 H new ATOM 492 N GLN A 682 0.412 8.695 13.555 1.00 0.00 N ATOM 493 CA GLN A 682 -0.192 10.003 13.330 1.00 0.00 C ATOM 494 C GLN A 682 -0.981 10.456 14.553 1.00 0.00 C ATOM 495 O GLN A 682 -2.029 11.090 14.430 1.00 0.00 O ATOM 496 CB GLN A 682 -1.108 9.961 12.105 1.00 0.00 C ATOM 497 CG GLN A 682 -0.433 9.408 10.860 1.00 0.00 C ATOM 498 CD GLN A 682 0.249 10.486 10.040 1.00 0.00 C ATOM 499 OE1 GLN A 682 1.152 11.171 10.522 1.00 0.00 O ATOM 500 NE2 GLN A 682 -0.179 10.642 8.792 1.00 0.00 N ATOM 0 H GLN A 682 -0.251 7.964 13.814 1.00 0.00 H new ATOM 0 HA GLN A 682 0.610 10.719 13.152 1.00 0.00 H new ATOM 0 HB2 GLN A 682 -1.982 9.352 12.336 1.00 0.00 H new ATOM 0 HB3 GLN A 682 -1.468 10.968 11.896 1.00 0.00 H new ATOM 0 HG2 GLN A 682 0.303 8.659 11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 682 -1.175 8.902 10.243 1.00 0.00 H new ATOM 0 HE21 GLN A 682 -0.930 10.053 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 682 0.243 11.351 8.193 1.00 0.00 H new ATOM 509 N ASN A 683 -0.471 10.126 15.735 1.00 0.00 N ATOM 510 CA ASN A 683 -1.127 10.499 16.983 1.00 0.00 C ATOM 511 C ASN A 683 -0.452 11.714 17.611 1.00 0.00 C ATOM 512 O ASN A 683 0.430 12.306 16.954 1.00 0.00 O ATOM 513 CB ASN A 683 -1.108 9.326 17.964 1.00 0.00 C ATOM 514 CG ASN A 683 -2.137 9.479 19.068 1.00 0.00 C ATOM 515 OD1 ASN A 683 -1.797 9.796 20.209 1.00 0.00 O ATOM 516 ND2 ASN A 683 -3.402 9.255 18.733 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.811 12.064 18.755 1.00 0.00 O ATOM 0 H ASN A 683 0.395 9.601 15.855 1.00 0.00 H new ATOM 0 HA ASN A 683 -2.162 10.758 16.757 1.00 0.00 H new ATOM 0 HB2 ASN A 683 -1.296 8.399 17.422 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -0.115 9.241 18.406 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -4.138 9.343 19.433 1.00 0.00 H new ATOM 0 HD22 ASN A 683 -3.638 8.995 17.775 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -9.705 -9.966 19.438 1.00 0.00 N ATOM 526 CA ARG B 405 -10.426 -9.311 20.560 1.00 0.00 C ATOM 527 C ARG B 405 -9.970 -7.866 20.741 1.00 0.00 C ATOM 528 O ARG B 405 -8.925 -7.467 20.227 1.00 0.00 O ATOM 529 CB ARG B 405 -10.167 -10.111 21.838 1.00 0.00 C ATOM 530 CG ARG B 405 -10.453 -11.597 21.695 1.00 0.00 C ATOM 531 CD ARG B 405 -9.276 -12.333 21.077 1.00 0.00 C ATOM 532 NE ARG B 405 -9.092 -13.660 21.660 1.00 0.00 N ATOM 533 CZ ARG B 405 -8.508 -13.878 22.835 1.00 0.00 C ATOM 534 NH1 ARG B 405 -8.049 -12.863 23.556 1.00 0.00 N ATOM 535 NH2 ARG B 405 -8.382 -15.117 23.293 1.00 0.00 N ATOM 0 HA ARG B 405 -11.493 -9.292 20.337 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -9.127 -9.977 22.136 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -10.783 -9.707 22.641 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -10.676 -12.022 22.674 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -11.339 -11.740 21.076 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -9.432 -12.428 20.002 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -8.368 -11.747 21.217 1.00 0.00 H new ATOM 0 HE ARG B 405 -9.431 -14.466 21.135 1.00 0.00 H new ATOM 0 HH11 ARG B 405 -8.143 -11.908 23.210 1.00 0.00 H new ATOM 0 HH12 ARG B 405 -7.602 -13.038 24.456 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -8.733 -15.902 22.744 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -7.934 -15.285 24.194 1.00 0.00 H new ATOM 550 N PRO B 406 -10.754 -7.057 21.475 1.00 0.00 N ATOM 551 CA PRO B 406 -10.428 -5.647 21.717 1.00 0.00 C ATOM 552 C PRO B 406 -9.099 -5.458 22.451 1.00 0.00 C ATOM 553 O PRO B 406 -8.278 -4.630 22.050 1.00 0.00 O ATOM 554 CB PRO B 406 -11.591 -5.141 22.581 1.00 0.00 C ATOM 555 CG PRO B 406 -12.690 -6.131 22.383 1.00 0.00 C ATOM 556 CD PRO B 406 -12.021 -7.449 22.114 1.00 0.00 C ATOM 0 HA PRO B 406 -10.309 -5.105 20.779 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -11.303 -5.078 23.630 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -11.902 -4.142 22.276 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -13.325 -6.190 23.267 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -13.330 -5.841 21.549 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -11.852 -8.010 23.033 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -12.623 -8.081 21.461 1.00 0.00 H new ATOM 564 N PRO B 407 -8.862 -6.210 23.545 1.00 0.00 N ATOM 565 CA PRO B 407 -7.624 -6.094 24.324 1.00 0.00 C ATOM 566 C PRO B 407 -6.363 -6.245 23.468 1.00 0.00 C ATOM 567 O PRO B 407 -5.486 -5.382 23.500 1.00 0.00 O ATOM 568 CB PRO B 407 -7.725 -7.227 25.349 1.00 0.00 C ATOM 569 CG PRO B 407 -9.182 -7.518 25.459 1.00 0.00 C ATOM 570 CD PRO B 407 -9.779 -7.216 24.112 1.00 0.00 C ATOM 0 HA PRO B 407 -7.531 -5.107 24.776 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -7.170 -8.106 25.021 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -7.309 -6.928 26.311 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -9.350 -8.559 25.734 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -9.643 -6.906 26.234 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -9.832 -8.108 23.488 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -10.794 -6.829 24.201 1.00 0.00 H new ATOM 578 N PRO B 408 -6.245 -7.339 22.690 1.00 0.00 N ATOM 579 CA PRO B 408 -5.072 -7.567 21.838 1.00 0.00 C ATOM 580 C PRO B 408 -5.011 -6.594 20.665 1.00 0.00 C ATOM 581 O PRO B 408 -5.963 -5.858 20.406 1.00 0.00 O ATOM 582 CB PRO B 408 -5.268 -8.998 21.334 1.00 0.00 C ATOM 583 CG PRO B 408 -6.739 -9.218 21.388 1.00 0.00 C ATOM 584 CD PRO B 408 -7.230 -8.432 22.574 1.00 0.00 C ATOM 0 HA PRO B 408 -4.140 -7.418 22.382 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -4.887 -9.117 20.320 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -4.737 -9.715 21.960 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -7.219 -8.880 20.469 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -6.972 -10.277 21.498 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -8.238 -8.049 22.413 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -7.261 -9.043 23.476 1.00 0.00 H new ATOM 592 N ALA B 409 -3.885 -6.596 19.958 1.00 0.00 N ATOM 593 CA ALA B 409 -3.700 -5.714 18.813 1.00 0.00 C ATOM 594 C ALA B 409 -2.433 -6.071 18.044 1.00 0.00 C ATOM 595 O ALA B 409 -1.403 -5.411 18.183 1.00 0.00 O ATOM 596 CB ALA B 409 -3.652 -4.263 19.268 1.00 0.00 C ATOM 0 H ALA B 409 -3.087 -7.199 20.159 1.00 0.00 H new ATOM 0 HA ALA B 409 -4.549 -5.846 18.143 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -3.513 -3.615 18.403 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -4.587 -4.007 19.767 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -2.822 -4.126 19.961 1.00 0.00 H new ATOM 602 N HIS B 410 -2.516 -7.121 17.232 1.00 0.00 N ATOM 603 CA HIS B 410 -1.375 -7.566 16.440 1.00 0.00 C ATOM 604 C HIS B 410 -1.837 -8.331 15.204 1.00 0.00 C ATOM 605 O HIS B 410 -1.845 -9.562 15.191 1.00 0.00 O ATOM 606 CB HIS B 410 -0.454 -8.447 17.285 1.00 0.00 C ATOM 607 CG HIS B 410 0.979 -8.399 16.855 1.00 0.00 C ATOM 608 ND1 HIS B 410 1.777 -7.285 17.014 1.00 0.00 N ATOM 609 CD2 HIS B 410 1.760 -9.338 16.269 1.00 0.00 C ATOM 610 CE1 HIS B 410 2.984 -7.540 16.544 1.00 0.00 C ATOM 611 NE2 HIS B 410 3.001 -8.778 16.087 1.00 0.00 N ATOM 0 H HIS B 410 -3.361 -7.679 17.106 1.00 0.00 H new ATOM 0 HA HIS B 410 -0.824 -6.684 16.114 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -0.523 -8.136 18.327 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -0.805 -9.478 17.236 1.00 0.00 H new ATOM 0 HD2 HIS B 410 1.463 -10.340 15.996 1.00 0.00 H new ATOM 0 HE1 HIS B 410 3.817 -6.852 16.535 1.00 0.00 H new ATOM 0 HE2 HIS B 410 3.805 -9.244 15.667 1.00 0.00 H new ATOM 620 N HIS B 411 -2.220 -7.594 14.167 1.00 0.00 N ATOM 621 CA HIS B 411 -2.684 -8.203 12.926 1.00 0.00 C ATOM 622 C HIS B 411 -2.212 -7.401 11.717 1.00 0.00 C ATOM 623 O HIS B 411 -2.752 -6.336 11.417 1.00 0.00 O ATOM 624 CB HIS B 411 -4.209 -8.304 12.921 1.00 0.00 C ATOM 625 CG HIS B 411 -4.897 -6.986 13.091 1.00 0.00 C ATOM 626 ND1 HIS B 411 -4.747 -6.197 14.212 1.00 0.00 N ATOM 627 CD2 HIS B 411 -5.744 -6.317 12.273 1.00 0.00 C ATOM 628 CE1 HIS B 411 -5.472 -5.101 14.078 1.00 0.00 C ATOM 629 NE2 HIS B 411 -6.086 -5.149 12.910 1.00 0.00 N ATOM 0 H HIS B 411 -2.218 -6.574 14.161 1.00 0.00 H new ATOM 0 HA HIS B 411 -2.261 -9.206 12.863 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -4.532 -8.755 11.982 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -4.523 -8.974 13.721 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -6.087 -6.641 11.301 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -5.549 -4.302 14.800 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -6.713 -4.434 12.540 1.00 0.00 H new ATOM 638 N ASN B 412 -1.202 -7.920 11.027 1.00 0.00 N ATOM 639 CA ASN B 412 -0.657 -7.252 9.850 1.00 0.00 C ATOM 640 C ASN B 412 -1.711 -7.139 8.752 1.00 0.00 C ATOM 641 O ASN B 412 -2.506 -8.054 8.545 1.00 0.00 O ATOM 642 CB ASN B 412 0.562 -8.011 9.326 1.00 0.00 C ATOM 643 CG ASN B 412 0.229 -9.436 8.928 1.00 0.00 C ATOM 644 OD1 ASN B 412 -0.394 -9.675 7.893 1.00 0.00 O ATOM 645 ND2 ASN B 412 0.645 -10.392 9.751 1.00 0.00 N ATOM 0 H ASN B 412 -0.744 -8.801 11.262 1.00 0.00 H new ATOM 0 HA ASN B 412 -0.353 -6.247 10.142 1.00 0.00 H new ATOM 0 HB2 ASN B 412 0.973 -7.483 8.466 1.00 0.00 H new ATOM 0 HB3 ASN B 412 1.337 -8.022 10.093 1.00 0.00 H new ATOM 0 HD21 ASN B 412 0.451 -11.370 9.536 1.00 0.00 H new ATOM 0 HD22 ASN B 412 1.158 -10.148 10.598 1.00 0.00 H new ATOM 652 N MET B 413 -1.709 -6.009 8.053 1.00 0.00 N ATOM 653 CA MET B 413 -2.665 -5.775 6.977 1.00 0.00 C ATOM 654 C MET B 413 -2.470 -6.783 5.848 1.00 0.00 C ATOM 655 O MET B 413 -3.436 -7.331 5.318 1.00 0.00 O ATOM 656 CB MET B 413 -2.520 -4.352 6.437 1.00 0.00 C ATOM 657 CG MET B 413 -3.647 -3.935 5.506 1.00 0.00 C ATOM 658 SD MET B 413 -4.057 -2.186 5.653 1.00 0.00 S ATOM 659 CE MET B 413 -5.838 -2.238 5.462 1.00 0.00 C ATOM 0 H MET B 413 -1.056 -5.241 8.212 1.00 0.00 H new ATOM 0 HA MET B 413 -3.669 -5.900 7.383 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.477 -3.657 7.276 1.00 0.00 H new ATOM 0 HB3 MET B 413 -1.572 -4.269 5.906 1.00 0.00 H new ATOM 0 HG2 MET B 413 -3.362 -4.152 4.477 1.00 0.00 H new ATOM 0 HG3 MET B 413 -4.533 -4.532 5.724 1.00 0.00 H new ATOM 0 HE1 MET B 413 -6.248 -1.238 5.600 1.00 0.00 H new ATOM 0 HE2 MET B 413 -6.086 -2.597 4.463 1.00 0.00 H new ATOM 0 HE3 MET B 413 -6.264 -2.911 6.206 1.00 0.00 H new ATOM 669 N PHE B 414 -1.214 -7.021 5.486 1.00 0.00 N ATOM 670 CA PHE B 414 -0.891 -7.963 4.419 1.00 0.00 C ATOM 671 C PHE B 414 0.565 -8.409 4.509 1.00 0.00 C ATOM 672 O PHE B 414 1.239 -8.573 3.492 1.00 0.00 O ATOM 673 CB PHE B 414 -1.164 -7.337 3.047 1.00 0.00 C ATOM 674 CG PHE B 414 -0.881 -5.862 2.984 1.00 0.00 C ATOM 675 CD1 PHE B 414 0.370 -5.368 3.315 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.867 -4.968 2.595 1.00 0.00 C ATOM 677 CE1 PHE B 414 0.632 -4.012 3.260 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.612 -3.615 2.538 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.362 -3.133 2.871 1.00 0.00 C ATOM 0 H PHE B 414 -0.403 -6.575 5.915 1.00 0.00 H new ATOM 0 HA PHE B 414 -1.529 -8.838 4.540 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -0.556 -7.846 2.299 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.207 -7.509 2.781 1.00 0.00 H new ATOM 0 HD1 PHE B 414 1.150 -6.050 3.620 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -2.848 -5.337 2.333 1.00 0.00 H new ATOM 0 HE1 PHE B 414 1.612 -3.640 3.520 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -2.390 -2.931 2.233 1.00 0.00 H new ATOM 0 HZ PHE B 414 -0.161 -2.073 2.828 1.00 0.00 H new ATOM 689 N SER B 415 1.046 -8.606 5.735 1.00 0.00 N ATOM 690 CA SER B 415 2.423 -9.036 5.959 1.00 0.00 C ATOM 691 C SER B 415 3.409 -8.065 5.316 1.00 0.00 C ATOM 692 O SER B 415 3.042 -6.949 4.947 1.00 0.00 O ATOM 693 CB SER B 415 2.634 -10.445 5.402 1.00 0.00 C ATOM 694 OG SER B 415 3.793 -11.045 5.956 1.00 0.00 O ATOM 0 H SER B 415 0.502 -8.474 6.588 1.00 0.00 H new ATOM 0 HA SER B 415 2.605 -9.047 7.034 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.762 -11.061 5.622 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.727 -10.400 4.317 1.00 0.00 H new ATOM 0 HG SER B 415 3.904 -11.945 5.585 1.00 0.00 H new ATOM 700 N VAL B 416 4.660 -8.496 5.178 1.00 0.00 N ATOM 701 CA VAL B 416 5.692 -7.660 4.574 1.00 0.00 C ATOM 702 C VAL B 416 6.225 -8.284 3.283 1.00 0.00 C ATOM 703 O VAL B 416 7.421 -8.544 3.151 1.00 0.00 O ATOM 704 CB VAL B 416 6.868 -7.397 5.541 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.664 -6.082 6.281 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.037 -8.550 6.521 1.00 0.00 C ATOM 0 H VAL B 416 4.983 -9.417 5.476 1.00 0.00 H new ATOM 0 HA VAL B 416 5.219 -6.706 4.343 1.00 0.00 H new ATOM 0 HB VAL B 416 7.783 -7.323 4.953 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.501 -5.912 6.958 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.607 -5.265 5.562 1.00 0.00 H new ATOM 0 HG13 VAL B 416 5.738 -6.127 6.854 1.00 0.00 H new ATOM 0 HG21 VAL B 416 7.871 -8.339 7.190 1.00 0.00 H new ATOM 0 HG22 VAL B 416 6.124 -8.668 7.105 1.00 0.00 H new ATOM 0 HG23 VAL B 416 7.237 -9.469 5.970 1.00 0.00 H new ATOM 716 N PRO B 417 5.333 -8.515 2.304 1.00 0.00 N ATOM 717 CA PRO B 417 5.700 -9.090 1.005 1.00 0.00 C ATOM 718 C PRO B 417 6.714 -8.219 0.274 1.00 0.00 C ATOM 719 O PRO B 417 6.758 -7.006 0.485 1.00 0.00 O ATOM 720 CB PRO B 417 4.375 -9.137 0.233 1.00 0.00 C ATOM 721 CG PRO B 417 3.481 -8.176 0.936 1.00 0.00 C ATOM 722 CD PRO B 417 3.895 -8.212 2.378 1.00 0.00 C ATOM 0 HA PRO B 417 6.170 -10.068 1.107 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.516 -8.853 -0.810 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.953 -10.142 0.235 1.00 0.00 H new ATOM 0 HG2 PRO B 417 3.585 -7.172 0.524 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.435 -8.460 0.822 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.709 -7.260 2.875 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.350 -8.974 2.935 1.00 0.00 H new ATOM 730 N PRO B 418 7.554 -8.812 -0.593 1.00 0.00 N ATOM 731 CA PRO B 418 8.562 -8.050 -1.330 1.00 0.00 C ATOM 732 C PRO B 418 7.905 -6.944 -2.148 1.00 0.00 C ATOM 733 O PRO B 418 6.826 -7.136 -2.708 1.00 0.00 O ATOM 734 CB PRO B 418 9.214 -9.093 -2.250 1.00 0.00 C ATOM 735 CG PRO B 418 8.284 -10.262 -2.251 1.00 0.00 C ATOM 736 CD PRO B 418 7.592 -10.244 -0.918 1.00 0.00 C ATOM 0 HA PRO B 418 9.282 -7.559 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.349 -8.698 -3.257 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.201 -9.377 -1.884 1.00 0.00 H new ATOM 0 HG2 PRO B 418 7.563 -10.186 -3.065 1.00 0.00 H new ATOM 0 HG3 PRO B 418 8.830 -11.194 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.592 -10.673 -0.975 1.00 0.00 H new ATOM 0 HD3 PRO B 418 8.141 -10.815 -0.169 1.00 0.00 H new ATOM 744 N PRO B 419 8.521 -5.748 -2.195 1.00 0.00 N ATOM 745 CA PRO B 419 7.945 -4.607 -2.910 1.00 0.00 C ATOM 746 C PRO B 419 7.965 -4.759 -4.432 1.00 0.00 C ATOM 747 O PRO B 419 8.957 -5.201 -5.012 1.00 0.00 O ATOM 748 CB PRO B 419 8.834 -3.425 -2.488 1.00 0.00 C ATOM 749 CG PRO B 419 9.672 -3.919 -1.356 1.00 0.00 C ATOM 750 CD PRO B 419 9.782 -5.403 -1.527 1.00 0.00 C ATOM 0 HA PRO B 419 6.890 -4.489 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO B 419 9.458 -3.091 -3.317 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.228 -2.572 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.657 -3.452 -1.370 1.00 0.00 H new ATOM 0 HG3 PRO B 419 9.215 -3.671 -0.398 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.647 -5.678 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.886 -5.914 -0.570 1.00 0.00 H new ATOM 758 N PRO B 420 6.855 -4.376 -5.098 1.00 0.00 N ATOM 759 CA PRO B 420 6.734 -4.451 -6.554 1.00 0.00 C ATOM 760 C PRO B 420 7.487 -3.336 -7.289 1.00 0.00 C ATOM 761 O PRO B 420 8.432 -3.605 -8.030 1.00 0.00 O ATOM 762 CB PRO B 420 5.230 -4.338 -6.797 1.00 0.00 C ATOM 763 CG PRO B 420 4.691 -3.595 -5.623 1.00 0.00 C ATOM 764 CD PRO B 420 5.631 -3.843 -4.470 1.00 0.00 C ATOM 0 HA PRO B 420 7.177 -5.370 -6.939 1.00 0.00 H new ATOM 0 HB2 PRO B 420 5.021 -3.808 -7.726 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.771 -5.323 -6.882 1.00 0.00 H new ATOM 0 HG2 PRO B 420 4.622 -2.529 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.685 -3.937 -5.380 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.835 -2.924 -3.920 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.208 -4.553 -3.759 1.00 0.00 H new ATOM 772 N ILE B 421 7.049 -2.087 -7.101 1.00 0.00 N ATOM 773 CA ILE B 421 7.677 -0.950 -7.777 1.00 0.00 C ATOM 774 C ILE B 421 8.772 -0.304 -6.924 1.00 0.00 C ATOM 775 O ILE B 421 9.255 -0.901 -5.962 1.00 0.00 O ATOM 776 CB ILE B 421 6.624 0.111 -8.225 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.355 1.167 -7.127 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.333 -0.580 -8.654 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.886 1.392 -6.800 1.00 0.00 C ATOM 0 H ILE B 421 6.269 -1.840 -6.492 1.00 0.00 H new ATOM 0 HA ILE B 421 8.153 -1.348 -8.673 1.00 0.00 H new ATOM 0 HB ILE B 421 7.036 0.648 -9.079 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.872 0.863 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.792 2.115 -7.441 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.605 0.169 -8.965 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.540 -1.252 -9.487 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.931 -1.151 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.799 2.149 -6.020 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.362 1.730 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.444 0.459 -6.451 1.00 0.00 H new ATOM 791 N LEU B 422 9.164 0.914 -7.288 1.00 0.00 N ATOM 792 CA LEU B 422 10.201 1.633 -6.559 1.00 0.00 C ATOM 793 C LEU B 422 10.405 3.025 -7.144 1.00 0.00 C ATOM 794 O LEU B 422 11.529 3.522 -7.217 1.00 0.00 O ATOM 795 CB LEU B 422 11.517 0.852 -6.596 1.00 0.00 C ATOM 796 CG LEU B 422 12.436 1.073 -5.393 1.00 0.00 C ATOM 797 CD1 LEU B 422 11.998 0.207 -4.223 1.00 0.00 C ATOM 798 CD2 LEU B 422 13.881 0.777 -5.768 1.00 0.00 C ATOM 0 H LEU B 422 8.778 1.423 -8.084 1.00 0.00 H new ATOM 0 HA LEU B 422 9.879 1.736 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU B 422 11.289 -0.211 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU B 422 12.058 1.125 -7.502 1.00 0.00 H new ATOM 0 HG LEU B 422 12.366 2.118 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.663 0.377 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU B 422 10.977 0.466 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU B 422 12.040 -0.843 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU B 422 14.522 0.939 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.967 -0.259 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU B 422 14.190 1.439 -6.577 1.00 0.00 H new ATOM 810 N GLY B 423 9.309 3.648 -7.564 1.00 0.00 N ATOM 811 CA GLY B 423 9.385 4.976 -8.141 1.00 0.00 C ATOM 812 C GLY B 423 9.887 6.011 -7.154 1.00 0.00 C ATOM 813 O GLY B 423 10.382 5.667 -6.081 1.00 0.00 O ATOM 0 H GLY B 423 8.369 3.256 -7.515 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.046 4.955 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.398 5.270 -8.500 1.00 0.00 H new ATOM 817 N ARG B 424 9.759 7.283 -7.518 1.00 0.00 N ATOM 818 CA ARG B 424 10.205 8.372 -6.657 1.00 0.00 C ATOM 819 C ARG B 424 9.439 9.655 -6.962 1.00 0.00 C ATOM 820 O ARG B 424 9.988 10.753 -6.880 1.00 0.00 O ATOM 821 CB ARG B 424 11.706 8.608 -6.832 1.00 0.00 C ATOM 822 CG ARG B 424 12.153 8.636 -8.285 1.00 0.00 C ATOM 823 CD ARG B 424 13.292 9.619 -8.499 1.00 0.00 C ATOM 824 NE ARG B 424 14.105 9.270 -9.661 1.00 0.00 N ATOM 825 CZ ARG B 424 13.689 9.386 -10.919 1.00 0.00 C ATOM 826 NH1 ARG B 424 12.469 9.841 -11.183 1.00 0.00 N ATOM 827 NH2 ARG B 424 14.492 9.046 -11.918 1.00 0.00 N ATOM 0 H ARG B 424 9.350 7.585 -8.403 1.00 0.00 H new ATOM 0 HA ARG B 424 10.007 8.088 -5.623 1.00 0.00 H new ATOM 0 HB2 ARG B 424 11.974 9.553 -6.360 1.00 0.00 H new ATOM 0 HB3 ARG B 424 12.252 7.824 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG B 424 12.470 7.638 -8.588 1.00 0.00 H new ATOM 0 HG3 ARG B 424 11.311 8.910 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG B 424 12.886 10.622 -8.629 1.00 0.00 H new ATOM 0 HD3 ARG B 424 13.922 9.643 -7.610 1.00 0.00 H new ATOM 0 HE ARG B 424 15.048 8.916 -9.498 1.00 0.00 H new ATOM 0 HH11 ARG B 424 11.846 10.103 -10.419 1.00 0.00 H new ATOM 0 HH12 ARG B 424 12.155 9.928 -12.150 1.00 0.00 H new ATOM 0 HH21 ARG B 424 15.429 8.695 -11.722 1.00 0.00 H new ATOM 0 HH22 ARG B 424 14.172 9.135 -12.882 1.00 0.00 H new ATOM 841 N GLY B 425 8.165 9.508 -7.313 1.00 0.00 N ATOM 842 CA GLY B 425 7.343 10.663 -7.625 1.00 0.00 C ATOM 843 C GLY B 425 6.005 10.278 -8.223 1.00 0.00 C ATOM 844 O GLY B 425 5.688 10.763 -9.330 1.00 0.00 O ATOM 845 OXT GLY B 425 5.273 9.491 -7.587 1.00 0.00 O ATOM 0 H GLY B 425 7.687 8.610 -7.387 1.00 0.00 H new ATOM 0 HA2 GLY B 425 7.178 11.244 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY B 425 7.877 11.307 -8.323 1.00 0.00 H new TER 849 GLY B 425