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 Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot 157:sc= -4.84! USER MOD Single : A 657 GLN : amide:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 661 TYR OH : rot -15:sc= -0.731 USER MOD Single : A 662 TYR OH : rot -120:sc= 0.503 USER MOD Single : A 664 SER OG : rot -48:sc= 0.898 USER MOD Single : A 667 LYS NZ :NH3+ 148:sc= -0.109 (180deg=-2.09) USER MOD Single : A 676 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 677 THR OG1 : rot 66:sc= -0.677 USER MOD Single : A 679 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 680 ASN : amide:sc= -0.6 K(o=-0.6,f=-1.9) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.1) USER MOD Single : A 683 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 410 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.35) USER MOD Single : B 411 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : B 412 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.11) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 6.055 2.797 15.937 1.00 0.00 N ATOM 2 CA GLY A 651 5.013 2.451 14.932 1.00 0.00 C ATOM 3 C GLY A 651 5.583 2.292 13.536 1.00 0.00 C ATOM 4 O GLY A 651 6.441 3.067 13.117 1.00 0.00 O ATOM 0 HA2 GLY A 651 4.521 1.524 15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 651 4.249 3.229 14.923 1.00 0.00 H new ATOM 9 N ALA A 652 5.104 1.284 12.815 1.00 0.00 N ATOM 10 CA ALA A 652 5.570 1.024 11.458 1.00 0.00 C ATOM 11 C ALA A 652 4.870 1.935 10.454 1.00 0.00 C ATOM 12 O ALA A 652 3.916 1.526 9.793 1.00 0.00 O ATOM 13 CB ALA A 652 5.348 -0.436 11.094 1.00 0.00 C ATOM 0 H ALA A 652 4.393 0.633 13.148 1.00 0.00 H new ATOM 0 HA ALA A 652 6.638 1.237 11.420 1.00 0.00 H new ATOM 0 HB1 ALA A 652 5.701 -0.615 10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 652 5.899 -1.072 11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 652 4.285 -0.669 11.155 1.00 0.00 H new ATOM 19 N ASP A 653 5.351 3.168 10.345 1.00 0.00 N ATOM 20 CA ASP A 653 4.769 4.134 9.420 1.00 0.00 C ATOM 21 C ASP A 653 5.284 3.905 8.003 1.00 0.00 C ATOM 22 O ASP A 653 6.113 4.663 7.499 1.00 0.00 O ATOM 23 CB ASP A 653 5.086 5.561 9.870 1.00 0.00 C ATOM 24 CG ASP A 653 3.979 6.536 9.520 1.00 0.00 C ATOM 25 OD1 ASP A 653 3.979 7.052 8.382 1.00 0.00 O ATOM 26 OD2 ASP A 653 3.112 6.786 10.384 1.00 0.00 O ATOM 0 H ASP A 653 6.141 3.522 10.884 1.00 0.00 H new ATOM 0 HA ASP A 653 3.688 3.996 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 653 5.249 5.572 10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.016 5.888 9.404 1.00 0.00 H new ATOM 31 N TYR A 654 4.782 2.852 7.370 1.00 0.00 N ATOM 32 CA TYR A 654 5.184 2.512 6.006 1.00 0.00 C ATOM 33 C TYR A 654 4.005 2.583 5.040 1.00 0.00 C ATOM 34 O TYR A 654 4.190 2.542 3.825 1.00 0.00 O ATOM 35 CB TYR A 654 5.806 1.110 5.965 1.00 0.00 C ATOM 36 CG TYR A 654 4.839 -0.021 6.275 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.647 0.204 6.962 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.125 -1.326 5.884 1.00 0.00 C ATOM 39 CE1 TYR A 654 2.782 -0.821 7.247 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.256 -2.363 6.168 1.00 0.00 C ATOM 41 CZ TYR A 654 3.086 -2.106 6.850 1.00 0.00 C ATOM 42 OH TYR A 654 2.218 -3.134 7.137 1.00 0.00 O ATOM 0 H TYR A 654 4.095 2.217 7.777 1.00 0.00 H new ATOM 0 HA TYR A 654 5.926 3.245 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 654 6.232 0.945 4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.630 1.071 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.400 1.207 7.276 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.041 -1.532 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 654 1.865 -0.622 7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.493 -3.370 5.857 1.00 0.00 H new ATOM 0 HH TYR A 654 2.580 -3.975 6.787 1.00 0.00 H new ATOM 52 N SER A 655 2.795 2.696 5.584 1.00 0.00 N ATOM 53 CA SER A 655 1.589 2.771 4.770 1.00 0.00 C ATOM 54 C SER A 655 1.751 3.762 3.621 1.00 0.00 C ATOM 55 O SER A 655 1.116 3.620 2.581 1.00 0.00 O ATOM 56 CB SER A 655 0.395 3.164 5.644 1.00 0.00 C ATOM 57 OG SER A 655 -0.492 4.025 4.951 1.00 0.00 O ATOM 0 H SER A 655 2.626 2.738 6.589 1.00 0.00 H new ATOM 0 HA SER A 655 1.412 1.787 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.138 2.267 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 655 0.751 3.657 6.548 1.00 0.00 H new ATOM 0 HG SER A 655 -1.384 3.968 5.353 1.00 0.00 H new ATOM 63 N ALA A 656 2.602 4.761 3.809 1.00 0.00 N ATOM 64 CA ALA A 656 2.826 5.756 2.772 1.00 0.00 C ATOM 65 C ALA A 656 3.487 5.133 1.563 1.00 0.00 C ATOM 66 O ALA A 656 2.885 5.029 0.494 1.00 0.00 O ATOM 67 CB ALA A 656 3.678 6.899 3.295 1.00 0.00 C ATOM 0 H ALA A 656 3.144 4.903 4.662 1.00 0.00 H new ATOM 0 HA ALA A 656 1.854 6.151 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.832 7.631 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 656 3.172 7.375 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.643 6.513 3.625 1.00 0.00 H new ATOM 73 N GLN A 657 4.729 4.719 1.737 1.00 0.00 N ATOM 74 CA GLN A 657 5.467 4.106 0.652 1.00 0.00 C ATOM 75 C GLN A 657 4.883 2.740 0.316 1.00 0.00 C ATOM 76 O GLN A 657 5.123 2.200 -0.762 1.00 0.00 O ATOM 77 CB GLN A 657 6.948 3.978 1.011 1.00 0.00 C ATOM 78 CG GLN A 657 7.877 4.123 -0.183 1.00 0.00 C ATOM 79 CD GLN A 657 9.195 3.400 0.012 1.00 0.00 C ATOM 80 OE1 GLN A 657 10.147 3.956 0.559 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.257 2.150 -0.437 1.00 0.00 N ATOM 0 H GLN A 657 5.244 4.796 2.614 1.00 0.00 H new ATOM 0 HA GLN A 657 5.380 4.747 -0.226 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.201 4.736 1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.118 3.008 1.477 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.382 3.734 -1.073 1.00 0.00 H new ATOM 0 HG3 GLN A 657 8.070 5.181 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 657 8.443 1.728 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.118 1.613 -0.334 1.00 0.00 H new ATOM 90 N TRP A 658 4.102 2.183 1.240 1.00 0.00 N ATOM 91 CA TRP A 658 3.482 0.892 1.009 1.00 0.00 C ATOM 92 C TRP A 658 2.192 1.074 0.236 1.00 0.00 C ATOM 93 O TRP A 658 1.848 0.255 -0.613 1.00 0.00 O ATOM 94 CB TRP A 658 3.221 0.152 2.323 1.00 0.00 C ATOM 95 CG TRP A 658 4.228 -0.920 2.597 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.986 -2.163 3.109 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.641 -0.848 2.368 1.00 0.00 C ATOM 98 NE1 TRP A 658 5.161 -2.868 3.210 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.190 -2.081 2.762 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.494 0.139 1.868 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.552 -2.351 2.670 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.846 -0.130 1.778 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.364 -1.367 2.177 1.00 0.00 C ATOM 0 H TRP A 658 3.889 2.605 2.144 1.00 0.00 H new ATOM 0 HA TRP A 658 4.170 0.283 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.227 0.868 3.145 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.225 -0.291 2.293 1.00 0.00 H new ATOM 0 HD1 TRP A 658 3.013 -2.537 3.393 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.253 -3.821 3.561 1.00 0.00 H new ATOM 0 HE3 TRP A 658 6.103 1.096 1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.954 -3.305 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.514 0.627 1.393 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.425 -1.548 2.094 1.00 0.00 H new ATOM 114 N ALA A 659 1.490 2.170 0.507 1.00 0.00 N ATOM 115 CA ALA A 659 0.258 2.448 -0.206 1.00 0.00 C ATOM 116 C ALA A 659 0.588 2.892 -1.622 1.00 0.00 C ATOM 117 O ALA A 659 -0.162 2.614 -2.557 1.00 0.00 O ATOM 118 CB ALA A 659 -0.571 3.504 0.514 1.00 0.00 C ATOM 0 H ALA A 659 1.751 2.867 1.204 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.341 1.538 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.488 3.690 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.821 3.150 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 659 0.002 4.428 0.589 1.00 0.00 H new ATOM 124 N GLU A 660 1.735 3.563 -1.781 1.00 0.00 N ATOM 125 CA GLU A 660 2.167 4.015 -3.098 1.00 0.00 C ATOM 126 C GLU A 660 2.215 2.834 -4.051 1.00 0.00 C ATOM 127 O GLU A 660 1.995 2.974 -5.254 1.00 0.00 O ATOM 128 CB GLU A 660 3.537 4.707 -3.039 1.00 0.00 C ATOM 129 CG GLU A 660 4.728 3.761 -2.925 1.00 0.00 C ATOM 130 CD GLU A 660 5.718 3.925 -4.063 1.00 0.00 C ATOM 131 OE1 GLU A 660 5.722 5.001 -4.698 1.00 0.00 O ATOM 132 OE2 GLU A 660 6.490 2.976 -4.318 1.00 0.00 O ATOM 0 H GLU A 660 2.371 3.800 -1.020 1.00 0.00 H new ATOM 0 HA GLU A 660 1.446 4.748 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.659 5.316 -3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.548 5.387 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.237 3.938 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.369 2.732 -2.907 1.00 0.00 H new ATOM 139 N TYR A 661 2.493 1.665 -3.489 1.00 0.00 N ATOM 140 CA TYR A 661 2.557 0.446 -4.267 1.00 0.00 C ATOM 141 C TYR A 661 1.169 0.061 -4.734 1.00 0.00 C ATOM 142 O TYR A 661 0.872 0.058 -5.926 1.00 0.00 O ATOM 143 CB TYR A 661 3.159 -0.678 -3.425 1.00 0.00 C ATOM 144 CG TYR A 661 4.662 -0.623 -3.371 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.397 -0.624 -4.540 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.342 -0.560 -2.162 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.769 -0.565 -4.521 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.722 -0.495 -2.127 1.00 0.00 C ATOM 149 CZ TYR A 661 7.433 -0.498 -3.312 1.00 0.00 C ATOM 150 OH TYR A 661 8.807 -0.432 -3.289 1.00 0.00 O ATOM 0 H TYR A 661 2.678 1.541 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 661 3.190 0.611 -5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.761 -0.620 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.849 -1.639 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.883 -0.672 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.785 -0.562 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.326 -0.571 -5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.241 -0.442 -1.181 1.00 0.00 H new ATOM 0 HH TYR A 661 9.161 -0.680 -4.169 1.00 0.00 H new ATOM 160 N TYR A 662 0.319 -0.242 -3.774 1.00 0.00 N ATOM 161 CA TYR A 662 -1.055 -0.619 -4.054 1.00 0.00 C ATOM 162 C TYR A 662 -1.771 0.477 -4.825 1.00 0.00 C ATOM 163 O TYR A 662 -2.786 0.227 -5.470 1.00 0.00 O ATOM 164 CB TYR A 662 -1.761 -0.933 -2.743 1.00 0.00 C ATOM 165 CG TYR A 662 -0.915 -1.815 -1.868 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.686 -3.141 -2.198 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.309 -1.304 -0.738 1.00 0.00 C ATOM 168 CE1 TYR A 662 0.124 -3.937 -1.417 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.496 -2.085 0.055 1.00 0.00 C ATOM 170 CZ TYR A 662 0.714 -3.406 -0.286 1.00 0.00 C ATOM 171 OH TYR A 662 1.525 -4.193 0.500 1.00 0.00 O ATOM 0 H TYR A 662 0.558 -0.235 -2.782 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.068 -1.509 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -1.988 -0.005 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.712 -1.424 -2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.149 -3.557 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.471 -0.270 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.296 -4.968 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.956 -1.669 0.939 1.00 0.00 H new ATOM 0 HH TYR A 662 1.150 -4.248 1.404 1.00 0.00 H new ATOM 181 N ARG A 663 -1.224 1.689 -4.781 1.00 0.00 N ATOM 182 CA ARG A 663 -1.813 2.796 -5.508 1.00 0.00 C ATOM 183 C ARG A 663 -1.360 2.786 -6.965 1.00 0.00 C ATOM 184 O ARG A 663 -1.744 3.657 -7.746 1.00 0.00 O ATOM 185 CB ARG A 663 -1.452 4.133 -4.856 1.00 0.00 C ATOM 186 CG ARG A 663 -2.601 4.764 -4.086 1.00 0.00 C ATOM 187 CD ARG A 663 -2.301 4.835 -2.598 1.00 0.00 C ATOM 188 NE ARG A 663 -3.463 5.266 -1.824 1.00 0.00 N ATOM 189 CZ ARG A 663 -3.889 6.525 -1.766 1.00 0.00 C ATOM 190 NH1 ARG A 663 -3.254 7.480 -2.432 1.00 0.00 N ATOM 191 NH2 ARG A 663 -4.955 6.831 -1.038 1.00 0.00 N ATOM 0 H ARG A 663 -0.383 1.922 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 663 -2.896 2.677 -5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -0.611 3.982 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -1.119 4.826 -5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -2.789 5.767 -4.469 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -3.510 4.185 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.975 3.856 -2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -1.475 5.526 -2.427 1.00 0.00 H new ATOM 0 HE ARG A 663 -3.978 4.560 -1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -2.434 7.251 -2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -3.586 8.443 -2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 663 -5.448 6.101 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 663 -5.282 7.796 -0.993 1.00 0.00 H new ATOM 205 N SER A 664 -0.545 1.798 -7.330 1.00 0.00 N ATOM 206 CA SER A 664 -0.055 1.695 -8.695 1.00 0.00 C ATOM 207 C SER A 664 0.472 0.298 -9.016 1.00 0.00 C ATOM 208 O SER A 664 1.187 0.110 -10.000 1.00 0.00 O ATOM 209 CB SER A 664 1.022 2.742 -8.935 1.00 0.00 C ATOM 210 OG SER A 664 1.705 2.510 -10.154 1.00 0.00 O ATOM 0 H SER A 664 -0.215 1.065 -6.702 1.00 0.00 H new ATOM 0 HA SER A 664 -0.895 1.878 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 664 0.570 3.734 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 664 1.734 2.730 -8.109 1.00 0.00 H new ATOM 0 HG SER A 664 1.962 1.566 -10.211 1.00 0.00 H new ATOM 216 N VAL A 665 0.092 -0.687 -8.207 1.00 0.00 N ATOM 217 CA VAL A 665 0.507 -2.063 -8.448 1.00 0.00 C ATOM 218 C VAL A 665 -0.703 -2.928 -8.790 1.00 0.00 C ATOM 219 O VAL A 665 -0.556 -4.080 -9.201 1.00 0.00 O ATOM 220 CB VAL A 665 1.272 -2.679 -7.249 1.00 0.00 C ATOM 221 CG1 VAL A 665 2.459 -1.812 -6.867 1.00 0.00 C ATOM 222 CG2 VAL A 665 0.350 -2.904 -6.053 1.00 0.00 C ATOM 0 H VAL A 665 -0.498 -0.558 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 665 1.196 -2.039 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 665 1.647 -3.654 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 665 2.982 -2.262 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 665 3.139 -1.732 -7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 665 2.109 -0.818 -6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 665 0.920 -3.337 -5.231 1.00 0.00 H new ATOM 0 HG22 VAL A 665 -0.076 -1.951 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 665 -0.453 -3.585 -6.336 1.00 0.00 H new ATOM 232 N GLY A 666 -1.902 -2.360 -8.638 1.00 0.00 N ATOM 233 CA GLY A 666 -3.112 -3.096 -8.959 1.00 0.00 C ATOM 234 C GLY A 666 -4.078 -3.208 -7.794 1.00 0.00 C ATOM 235 O GLY A 666 -4.642 -4.276 -7.557 1.00 0.00 O ATOM 0 H GLY A 666 -2.053 -1.409 -8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.615 -2.606 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -2.841 -4.097 -9.294 1.00 0.00 H new ATOM 239 N LYS A 667 -4.281 -2.111 -7.068 1.00 0.00 N ATOM 240 CA LYS A 667 -5.201 -2.118 -5.933 1.00 0.00 C ATOM 241 C LYS A 667 -5.248 -0.761 -5.230 1.00 0.00 C ATOM 242 O LYS A 667 -5.172 -0.688 -4.004 1.00 0.00 O ATOM 243 CB LYS A 667 -4.808 -3.212 -4.933 1.00 0.00 C ATOM 244 CG LYS A 667 -3.329 -3.217 -4.579 1.00 0.00 C ATOM 245 CD LYS A 667 -2.627 -4.454 -5.117 1.00 0.00 C ATOM 246 CE LYS A 667 -2.831 -5.651 -4.205 1.00 0.00 C ATOM 247 NZ LYS A 667 -4.022 -6.454 -4.599 1.00 0.00 N ATOM 0 H LYS A 667 -3.826 -1.215 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.197 -2.326 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -5.390 -3.083 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.076 -4.184 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -2.854 -2.324 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -3.214 -3.175 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -3.006 -4.685 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -1.561 -4.252 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -1.943 -6.282 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -2.948 -5.308 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -3.854 -7.456 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -4.856 -6.118 -4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -4.189 -6.349 -5.620 1.00 0.00 H new ATOM 261 N ILE A 668 -5.388 0.312 -6.009 1.00 0.00 N ATOM 262 CA ILE A 668 -5.463 1.662 -5.445 1.00 0.00 C ATOM 263 C ILE A 668 -6.521 1.719 -4.362 1.00 0.00 C ATOM 264 O ILE A 668 -6.270 2.164 -3.242 1.00 0.00 O ATOM 265 CB ILE A 668 -5.800 2.712 -6.527 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.562 3.028 -7.349 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.357 3.988 -5.904 1.00 0.00 C ATOM 268 CD1 ILE A 668 -3.953 1.810 -7.999 1.00 0.00 C ATOM 0 H ILE A 668 -5.452 0.275 -7.026 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.484 1.893 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.567 2.293 -7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.822 3.752 -8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.818 3.499 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.585 4.708 -6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.267 3.756 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.618 4.414 -5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.073 2.104 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.663 1.094 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.682 1.351 -8.666 1.00 0.00 H new ATOM 280 N GLU A 669 -7.705 1.251 -4.712 1.00 0.00 N ATOM 281 CA GLU A 669 -8.823 1.221 -3.792 1.00 0.00 C ATOM 282 C GLU A 669 -8.405 0.584 -2.477 1.00 0.00 C ATOM 283 O GLU A 669 -8.744 1.073 -1.399 1.00 0.00 O ATOM 284 CB GLU A 669 -9.965 0.449 -4.438 1.00 0.00 C ATOM 285 CG GLU A 669 -11.334 1.067 -4.207 1.00 0.00 C ATOM 286 CD GLU A 669 -12.432 0.355 -4.972 1.00 0.00 C ATOM 287 OE1 GLU A 669 -12.458 -0.894 -4.949 1.00 0.00 O ATOM 288 OE2 GLU A 669 -13.267 1.046 -5.593 1.00 0.00 O ATOM 0 H GLU A 669 -7.917 0.883 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.156 2.236 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.784 0.382 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -9.967 -0.570 -4.050 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.564 1.043 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.310 2.115 -4.504 1.00 0.00 H new ATOM 295 N GLU A 670 -7.632 -0.489 -2.574 1.00 0.00 N ATOM 296 CA GLU A 670 -7.128 -1.164 -1.391 1.00 0.00 C ATOM 297 C GLU A 670 -5.968 -0.369 -0.819 1.00 0.00 C ATOM 298 O GLU A 670 -5.713 -0.410 0.385 1.00 0.00 O ATOM 299 CB GLU A 670 -6.685 -2.590 -1.726 1.00 0.00 C ATOM 300 CG GLU A 670 -6.838 -3.562 -0.568 1.00 0.00 C ATOM 301 CD GLU A 670 -6.291 -4.940 -0.888 1.00 0.00 C ATOM 302 OE1 GLU A 670 -5.099 -5.035 -1.251 1.00 0.00 O ATOM 303 OE2 GLU A 670 -7.053 -5.923 -0.776 1.00 0.00 O ATOM 0 H GLU A 670 -7.342 -0.908 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.925 -1.228 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -7.267 -2.953 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.641 -2.573 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -6.322 -3.164 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -7.893 -3.646 -0.305 1.00 0.00 H new ATOM 310 N ALA A 671 -5.279 0.386 -1.680 1.00 0.00 N ATOM 311 CA ALA A 671 -4.179 1.207 -1.222 1.00 0.00 C ATOM 312 C ALA A 671 -4.697 2.224 -0.221 1.00 0.00 C ATOM 313 O ALA A 671 -4.013 2.566 0.743 1.00 0.00 O ATOM 314 CB ALA A 671 -3.485 1.889 -2.385 1.00 0.00 C ATOM 0 H ALA A 671 -5.467 0.439 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.439 0.572 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.663 2.499 -2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -3.095 1.135 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.197 2.524 -2.912 1.00 0.00 H new ATOM 320 N GLU A 672 -5.935 2.676 -0.432 1.00 0.00 N ATOM 321 CA GLU A 672 -6.554 3.617 0.486 1.00 0.00 C ATOM 322 C GLU A 672 -6.630 2.986 1.873 1.00 0.00 C ATOM 323 O GLU A 672 -6.667 3.682 2.887 1.00 0.00 O ATOM 324 CB GLU A 672 -7.953 4.004 0.002 1.00 0.00 C ATOM 325 CG GLU A 672 -7.976 4.553 -1.414 1.00 0.00 C ATOM 326 CD GLU A 672 -9.382 4.690 -1.964 1.00 0.00 C ATOM 327 OE1 GLU A 672 -10.297 5.020 -1.181 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.569 4.465 -3.179 1.00 0.00 O ATOM 0 H GLU A 672 -6.519 2.405 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.950 4.524 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.601 3.129 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.369 4.750 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.487 5.527 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -7.398 3.896 -2.064 1.00 0.00 H new ATOM 335 N ALA A 673 -6.629 1.652 1.899 1.00 0.00 N ATOM 336 CA ALA A 673 -6.672 0.911 3.148 1.00 0.00 C ATOM 337 C ALA A 673 -5.342 1.034 3.873 1.00 0.00 C ATOM 338 O ALA A 673 -5.299 1.225 5.088 1.00 0.00 O ATOM 339 CB ALA A 673 -7.009 -0.551 2.889 1.00 0.00 C ATOM 0 H ALA A 673 -6.599 1.067 1.064 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.453 1.333 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -7.037 -1.091 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -7.982 -0.619 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -6.249 -0.991 2.243 1.00 0.00 H new ATOM 345 N ILE A 674 -4.255 0.944 3.113 1.00 0.00 N ATOM 346 CA ILE A 674 -2.920 1.069 3.678 1.00 0.00 C ATOM 347 C ILE A 674 -2.772 2.426 4.343 1.00 0.00 C ATOM 348 O ILE A 674 -2.254 2.532 5.448 1.00 0.00 O ATOM 349 CB ILE A 674 -1.828 0.901 2.599 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.684 -0.564 2.229 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.489 1.441 3.073 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.504 -0.959 1.037 1.00 0.00 C ATOM 0 H ILE A 674 -4.274 0.785 2.106 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.792 0.276 4.415 1.00 0.00 H new ATOM 0 HB ILE A 674 -2.135 1.473 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.635 -0.779 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.976 -1.177 3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.256 1.306 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.586 2.502 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 674 -0.176 0.903 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.354 -2.018 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.558 -0.775 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.196 -0.371 0.172 1.00 0.00 H new ATOM 364 N GLU A 675 -3.247 3.463 3.665 1.00 0.00 N ATOM 365 CA GLU A 675 -3.177 4.811 4.202 1.00 0.00 C ATOM 366 C GLU A 675 -3.677 4.831 5.644 1.00 0.00 C ATOM 367 O GLU A 675 -3.248 5.656 6.450 1.00 0.00 O ATOM 368 CB GLU A 675 -3.987 5.771 3.328 1.00 0.00 C ATOM 369 CG GLU A 675 -3.151 6.885 2.719 1.00 0.00 C ATOM 370 CD GLU A 675 -3.989 7.886 1.947 1.00 0.00 C ATOM 371 OE1 GLU A 675 -5.122 7.536 1.555 1.00 0.00 O ATOM 372 OE2 GLU A 675 -3.511 9.020 1.734 1.00 0.00 O ATOM 0 H GLU A 675 -3.683 3.395 2.745 1.00 0.00 H new ATOM 0 HA GLU A 675 -2.138 5.141 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.465 5.206 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.784 6.211 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.610 7.403 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -2.404 6.452 2.054 1.00 0.00 H new ATOM 379 N LYS A 676 -4.571 3.896 5.966 1.00 0.00 N ATOM 380 CA LYS A 676 -5.105 3.790 7.316 1.00 0.00 C ATOM 381 C LYS A 676 -4.016 3.337 8.284 1.00 0.00 C ATOM 382 O LYS A 676 -4.008 3.728 9.451 1.00 0.00 O ATOM 383 CB LYS A 676 -6.287 2.816 7.346 1.00 0.00 C ATOM 384 CG LYS A 676 -7.505 3.359 8.074 1.00 0.00 C ATOM 385 CD LYS A 676 -8.746 2.534 7.777 1.00 0.00 C ATOM 386 CE LYS A 676 -9.981 3.127 8.435 1.00 0.00 C ATOM 387 NZ LYS A 676 -10.260 2.502 9.757 1.00 0.00 N ATOM 0 H LYS A 676 -4.937 3.205 5.311 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.458 4.773 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.567 2.566 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.971 1.889 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.317 3.362 9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.676 4.394 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -8.898 2.479 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.599 1.514 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -9.844 4.201 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -10.842 2.991 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -11.110 2.934 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.416 1.481 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -9.449 2.653 10.391 1.00 0.00 H new ATOM 401 N THR A 677 -3.080 2.528 7.787 1.00 0.00 N ATOM 402 CA THR A 677 -1.973 2.052 8.613 1.00 0.00 C ATOM 403 C THR A 677 -1.075 3.221 8.978 1.00 0.00 C ATOM 404 O THR A 677 -0.495 3.263 10.061 1.00 0.00 O ATOM 405 CB THR A 677 -1.157 0.967 7.894 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.749 0.613 6.657 1.00 0.00 O ATOM 407 CG2 THR A 677 -1.016 -0.299 8.710 1.00 0.00 C ATOM 0 H THR A 677 -3.067 2.191 6.824 1.00 0.00 H new ATOM 0 HA THR A 677 -2.389 1.608 9.517 1.00 0.00 H new ATOM 0 HB THR A 677 -0.171 1.405 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.714 1.379 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.430 -1.029 8.151 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.512 -0.072 9.649 1.00 0.00 H new ATOM 0 HG23 THR A 677 -2.004 -0.710 8.918 1.00 0.00 H new ATOM 415 N LEU A 678 -0.981 4.182 8.063 1.00 0.00 N ATOM 416 CA LEU A 678 -0.173 5.375 8.278 1.00 0.00 C ATOM 417 C LEU A 678 -0.505 5.995 9.626 1.00 0.00 C ATOM 418 O LEU A 678 0.369 6.508 10.324 1.00 0.00 O ATOM 419 CB LEU A 678 -0.430 6.387 7.161 1.00 0.00 C ATOM 420 CG LEU A 678 0.802 7.138 6.662 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.928 6.167 6.335 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.444 7.975 5.445 1.00 0.00 C ATOM 0 H LEU A 678 -1.458 4.156 7.162 1.00 0.00 H new ATOM 0 HA LEU A 678 0.880 5.094 8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -0.883 5.865 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.160 7.115 7.514 1.00 0.00 H new ATOM 0 HG LEU A 678 1.150 7.803 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 678 2.796 6.723 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 678 2.196 5.606 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 678 1.599 5.476 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.329 8.507 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 678 0.075 7.325 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 678 -0.330 8.694 5.713 1.00 0.00 H new ATOM 434 N LYS A 679 -1.782 5.927 9.986 1.00 0.00 N ATOM 435 CA LYS A 679 -2.247 6.465 11.254 1.00 0.00 C ATOM 436 C LYS A 679 -1.470 5.856 12.420 1.00 0.00 C ATOM 437 O LYS A 679 -1.399 6.438 13.503 1.00 0.00 O ATOM 438 CB LYS A 679 -3.741 6.187 11.410 1.00 0.00 C ATOM 439 CG LYS A 679 -4.350 6.796 12.662 1.00 0.00 C ATOM 440 CD LYS A 679 -5.030 8.123 12.363 1.00 0.00 C ATOM 441 CE LYS A 679 -6.089 8.453 13.401 1.00 0.00 C ATOM 442 NZ LYS A 679 -7.185 9.284 12.833 1.00 0.00 N ATOM 0 H LYS A 679 -2.513 5.503 9.415 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.078 7.542 11.262 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.266 6.574 10.537 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -3.901 5.109 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.075 6.103 13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -3.572 6.945 13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -4.284 8.917 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -5.488 8.084 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -6.505 7.528 13.801 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -5.627 8.982 14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.886 9.487 13.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -6.793 10.178 12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -7.643 8.769 12.054 1.00 0.00 H new ATOM 456 N ASN A 680 -0.886 4.681 12.189 1.00 0.00 N ATOM 457 CA ASN A 680 -0.109 3.988 13.212 1.00 0.00 C ATOM 458 C ASN A 680 0.923 4.918 13.844 1.00 0.00 C ATOM 459 O ASN A 680 1.739 5.522 13.147 1.00 0.00 O ATOM 460 CB ASN A 680 0.593 2.769 12.605 1.00 0.00 C ATOM 461 CG ASN A 680 -0.341 1.587 12.443 1.00 0.00 C ATOM 462 OD1 ASN A 680 -1.454 1.726 11.935 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.108 0.413 12.872 1.00 0.00 N ATOM 0 H ASN A 680 -0.938 4.188 11.297 1.00 0.00 H new ATOM 0 HA ASN A 680 -0.796 3.659 13.991 1.00 0.00 H new ATOM 0 HB2 ASN A 680 1.007 3.038 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 680 1.431 2.482 13.240 1.00 0.00 H new ATOM 0 HD21 ASN A 680 -0.476 -0.419 12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 680 1.037 0.343 13.287 1.00 0.00 H new ATOM 470 N LYS A 681 0.880 5.030 15.167 1.00 0.00 N ATOM 471 CA LYS A 681 1.811 5.887 15.893 1.00 0.00 C ATOM 472 C LYS A 681 2.251 5.230 17.196 1.00 0.00 C ATOM 473 O LYS A 681 2.458 5.905 18.205 1.00 0.00 O ATOM 474 CB LYS A 681 1.166 7.244 16.184 1.00 0.00 C ATOM 475 CG LYS A 681 2.145 8.405 16.134 1.00 0.00 C ATOM 476 CD LYS A 681 1.550 9.663 16.746 1.00 0.00 C ATOM 477 CE LYS A 681 0.611 10.363 15.778 1.00 0.00 C ATOM 478 NZ LYS A 681 -0.539 10.998 16.480 1.00 0.00 N ATOM 0 H LYS A 681 0.211 4.538 15.759 1.00 0.00 H new ATOM 0 HA LYS A 681 2.691 6.037 15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 681 0.369 7.420 15.462 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.702 7.213 17.170 1.00 0.00 H new ATOM 0 HG2 LYS A 681 3.057 8.136 16.667 1.00 0.00 H new ATOM 0 HG3 LYS A 681 2.426 8.601 15.099 1.00 0.00 H new ATOM 0 HD2 LYS A 681 1.009 9.405 17.657 1.00 0.00 H new ATOM 0 HD3 LYS A 681 2.352 10.343 17.033 1.00 0.00 H new ATOM 0 HE2 LYS A 681 1.162 11.123 15.223 1.00 0.00 H new ATOM 0 HE3 LYS A 681 0.239 9.643 15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 -1.156 11.465 15.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 -1.080 10.270 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 -0.186 11.703 17.158 1.00 0.00 H new ATOM 492 N GLN A 682 2.394 3.909 17.169 1.00 0.00 N ATOM 493 CA GLN A 682 2.811 3.161 18.349 1.00 0.00 C ATOM 494 C GLN A 682 1.812 3.340 19.489 1.00 0.00 C ATOM 495 O GLN A 682 2.192 3.390 20.657 1.00 0.00 O ATOM 496 CB GLN A 682 4.202 3.610 18.799 1.00 0.00 C ATOM 497 CG GLN A 682 5.061 2.479 19.342 1.00 0.00 C ATOM 498 CD GLN A 682 4.500 1.883 20.619 1.00 0.00 C ATOM 499 OE1 GLN A 682 4.427 2.551 21.649 1.00 0.00 O ATOM 500 NE2 GLN A 682 4.101 0.618 20.555 1.00 0.00 N ATOM 0 H GLN A 682 2.227 3.335 16.343 1.00 0.00 H new ATOM 0 HA GLN A 682 2.846 2.104 18.084 1.00 0.00 H new ATOM 0 HB2 GLN A 682 4.716 4.073 17.956 1.00 0.00 H new ATOM 0 HB3 GLN A 682 4.096 4.376 19.567 1.00 0.00 H new ATOM 0 HG2 GLN A 682 5.146 1.697 18.587 1.00 0.00 H new ATOM 0 HG3 GLN A 682 6.068 2.851 19.531 1.00 0.00 H new ATOM 0 HE21 GLN A 682 4.180 0.102 19.679 1.00 0.00 H new ATOM 0 HE22 GLN A 682 3.715 0.162 21.382 1.00 0.00 H new ATOM 509 N ASN A 683 0.534 3.436 19.138 1.00 0.00 N ATOM 510 CA ASN A 683 -0.519 3.611 20.131 1.00 0.00 C ATOM 511 C ASN A 683 -0.567 2.424 21.088 1.00 0.00 C ATOM 512 O ASN A 683 -0.878 2.638 22.279 1.00 0.00 O ATOM 513 CB ASN A 683 -1.875 3.779 19.443 1.00 0.00 C ATOM 514 CG ASN A 683 -2.993 4.060 20.428 1.00 0.00 C ATOM 515 OD1 ASN A 683 -2.946 5.037 21.176 1.00 0.00 O ATOM 516 ND2 ASN A 683 -4.007 3.203 20.433 1.00 0.00 N ATOM 517 OXT ASN A 683 -0.291 1.292 20.639 1.00 0.00 O ATOM 0 H ASN A 683 0.203 3.396 18.174 1.00 0.00 H new ATOM 0 HA ASN A 683 -0.296 4.510 20.705 1.00 0.00 H new ATOM 0 HB2 ASN A 683 -1.815 4.595 18.723 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -2.109 2.875 18.881 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -4.788 3.341 21.074 1.00 0.00 H new ATOM 0 HD22 ASN A 683 -4.005 2.407 19.796 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 -2.766 -8.371 -14.053 1.00 0.00 N ATOM 526 CA ARG B 405 -3.310 -9.720 -13.747 1.00 0.00 C ATOM 527 C ARG B 405 -3.962 -9.752 -12.367 1.00 0.00 C ATOM 528 O ARG B 405 -3.557 -9.021 -11.463 1.00 0.00 O ATOM 529 CB ARG B 405 -2.167 -10.734 -13.815 1.00 0.00 C ATOM 530 CG ARG B 405 -2.569 -12.065 -14.428 1.00 0.00 C ATOM 531 CD ARG B 405 -1.431 -12.676 -15.229 1.00 0.00 C ATOM 532 NE ARG B 405 -1.905 -13.694 -16.164 1.00 0.00 N ATOM 533 CZ ARG B 405 -1.139 -14.262 -17.093 1.00 0.00 C ATOM 534 NH1 ARG B 405 0.136 -13.915 -17.214 1.00 0.00 N ATOM 535 NH2 ARG B 405 -1.649 -15.180 -17.902 1.00 0.00 N ATOM 0 HA ARG B 405 -4.078 -9.970 -14.479 1.00 0.00 H new ATOM 0 HB2 ARG B 405 -1.349 -10.308 -14.396 1.00 0.00 H new ATOM 0 HB3 ARG B 405 -1.786 -10.907 -12.809 1.00 0.00 H new ATOM 0 HG2 ARG B 405 -2.871 -12.754 -13.639 1.00 0.00 H new ATOM 0 HG3 ARG B 405 -3.435 -11.922 -15.075 1.00 0.00 H new ATOM 0 HD2 ARG B 405 -0.913 -11.891 -15.780 1.00 0.00 H new ATOM 0 HD3 ARG B 405 -0.705 -13.119 -14.547 1.00 0.00 H new ATOM 0 HE ARG B 405 -2.880 -13.987 -16.101 1.00 0.00 H new ATOM 0 HH11 ARG B 405 0.534 -13.210 -16.593 1.00 0.00 H new ATOM 0 HH12 ARG B 405 0.718 -14.353 -17.927 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -2.628 -15.451 -17.813 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -1.062 -15.615 -18.614 1.00 0.00 H new ATOM 550 N PRO B 406 -4.986 -10.606 -12.185 1.00 0.00 N ATOM 551 CA PRO B 406 -5.693 -10.731 -10.906 1.00 0.00 C ATOM 552 C PRO B 406 -4.738 -10.929 -9.730 1.00 0.00 C ATOM 553 O PRO B 406 -4.174 -12.009 -9.556 1.00 0.00 O ATOM 554 CB PRO B 406 -6.561 -11.974 -11.104 1.00 0.00 C ATOM 555 CG PRO B 406 -6.784 -12.051 -12.574 1.00 0.00 C ATOM 556 CD PRO B 406 -5.530 -11.516 -13.211 1.00 0.00 C ATOM 0 HA PRO B 406 -6.259 -9.832 -10.663 1.00 0.00 H new ATOM 0 HB2 PRO B 406 -6.062 -12.869 -10.732 1.00 0.00 H new ATOM 0 HB3 PRO B 406 -7.504 -11.888 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO B 406 -6.973 -13.078 -12.887 1.00 0.00 H new ATOM 0 HG3 PRO B 406 -7.653 -11.463 -12.868 1.00 0.00 H new ATOM 0 HD2 PRO B 406 -4.829 -12.315 -13.451 1.00 0.00 H new ATOM 0 HD3 PRO B 406 -5.745 -10.990 -14.141 1.00 0.00 H new ATOM 564 N PRO B 407 -4.543 -9.885 -8.902 1.00 0.00 N ATOM 565 CA PRO B 407 -3.651 -9.956 -7.741 1.00 0.00 C ATOM 566 C PRO B 407 -3.939 -11.170 -6.860 1.00 0.00 C ATOM 567 O PRO B 407 -4.933 -11.197 -6.134 1.00 0.00 O ATOM 568 CB PRO B 407 -3.955 -8.664 -6.981 1.00 0.00 C ATOM 569 CG PRO B 407 -4.440 -7.719 -8.025 1.00 0.00 C ATOM 570 CD PRO B 407 -5.176 -8.558 -9.033 1.00 0.00 C ATOM 0 HA PRO B 407 -2.607 -10.059 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO B 407 -4.709 -8.825 -6.211 1.00 0.00 H new ATOM 0 HB3 PRO B 407 -3.066 -8.280 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO B 407 -5.096 -6.963 -7.593 1.00 0.00 H new ATOM 0 HG3 PRO B 407 -3.608 -7.191 -8.490 1.00 0.00 H new ATOM 0 HD2 PRO B 407 -6.244 -8.599 -8.818 1.00 0.00 H new ATOM 0 HD3 PRO B 407 -5.069 -8.160 -10.042 1.00 0.00 H new ATOM 578 N PRO B 408 -3.071 -12.198 -6.910 1.00 0.00 N ATOM 579 CA PRO B 408 -3.243 -13.416 -6.111 1.00 0.00 C ATOM 580 C PRO B 408 -3.438 -13.111 -4.629 1.00 0.00 C ATOM 581 O PRO B 408 -3.100 -12.026 -4.158 1.00 0.00 O ATOM 582 CB PRO B 408 -1.934 -14.176 -6.332 1.00 0.00 C ATOM 583 CG PRO B 408 -1.432 -13.692 -7.647 1.00 0.00 C ATOM 584 CD PRO B 408 -1.856 -12.254 -7.747 1.00 0.00 C ATOM 0 HA PRO B 408 -4.130 -13.976 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO B 408 -1.218 -13.972 -5.536 1.00 0.00 H new ATOM 0 HB3 PRO B 408 -2.099 -15.253 -6.344 1.00 0.00 H new ATOM 0 HG2 PRO B 408 -0.348 -13.784 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO B 408 -1.849 -14.280 -8.465 1.00 0.00 H new ATOM 0 HD2 PRO B 408 -1.083 -11.580 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO B 408 -2.064 -11.967 -8.778 1.00 0.00 H new ATOM 592 N ALA B 409 -3.987 -14.077 -3.899 1.00 0.00 N ATOM 593 CA ALA B 409 -4.227 -13.913 -2.471 1.00 0.00 C ATOM 594 C ALA B 409 -3.967 -15.214 -1.718 1.00 0.00 C ATOM 595 O ALA B 409 -2.978 -15.337 -0.997 1.00 0.00 O ATOM 596 CB ALA B 409 -5.651 -13.436 -2.228 1.00 0.00 C ATOM 0 H ALA B 409 -4.274 -14.981 -4.274 1.00 0.00 H new ATOM 0 HA ALA B 409 -3.534 -13.161 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -5.817 -13.317 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA B 409 -5.804 -12.479 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -6.353 -14.169 -2.625 1.00 0.00 H new ATOM 602 N HIS B 410 -4.863 -16.181 -1.891 1.00 0.00 N ATOM 603 CA HIS B 410 -4.734 -17.475 -1.228 1.00 0.00 C ATOM 604 C HIS B 410 -4.832 -17.324 0.287 1.00 0.00 C ATOM 605 O HIS B 410 -5.877 -17.591 0.880 1.00 0.00 O ATOM 606 CB HIS B 410 -3.407 -18.137 -1.606 1.00 0.00 C ATOM 607 CG HIS B 410 -3.520 -19.092 -2.754 1.00 0.00 C ATOM 608 ND1 HIS B 410 -4.541 -20.012 -2.871 1.00 0.00 N ATOM 609 CD2 HIS B 410 -2.733 -19.266 -3.842 1.00 0.00 C ATOM 610 CE1 HIS B 410 -4.377 -20.711 -3.979 1.00 0.00 C ATOM 611 NE2 HIS B 410 -3.288 -20.278 -4.588 1.00 0.00 N ATOM 0 H HIS B 410 -5.687 -16.093 -2.485 1.00 0.00 H new ATOM 0 HA HIS B 410 -5.554 -18.110 -1.563 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -2.683 -17.362 -1.858 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -3.016 -18.669 -0.739 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -1.836 -18.713 -4.079 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -5.024 -21.502 -4.328 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -2.919 -20.636 -5.469 1.00 0.00 H new ATOM 620 N HIS B 411 -3.739 -16.895 0.909 1.00 0.00 N ATOM 621 CA HIS B 411 -3.704 -16.710 2.355 1.00 0.00 C ATOM 622 C HIS B 411 -2.734 -15.597 2.738 1.00 0.00 C ATOM 623 O HIS B 411 -1.517 -15.774 2.683 1.00 0.00 O ATOM 624 CB HIS B 411 -3.302 -18.013 3.047 1.00 0.00 C ATOM 625 CG HIS B 411 -3.918 -18.186 4.401 1.00 0.00 C ATOM 626 ND1 HIS B 411 -4.159 -19.421 4.966 1.00 0.00 N ATOM 627 CD2 HIS B 411 -4.342 -17.271 5.305 1.00 0.00 C ATOM 628 CE1 HIS B 411 -4.706 -19.258 6.158 1.00 0.00 C ATOM 629 NE2 HIS B 411 -4.827 -17.964 6.388 1.00 0.00 N ATOM 0 H HIS B 411 -2.865 -16.669 0.434 1.00 0.00 H new ATOM 0 HA HIS B 411 -4.703 -16.425 2.684 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -3.590 -18.854 2.416 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -2.217 -18.044 3.144 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -4.306 -16.197 5.195 1.00 0.00 H new ATOM 0 HE1 HIS B 411 -5.004 -20.049 6.830 1.00 0.00 H new ATOM 0 HE2 HIS B 411 -5.217 -17.546 7.233 1.00 0.00 H new ATOM 638 N ASN B 412 -3.281 -14.449 3.126 1.00 0.00 N ATOM 639 CA ASN B 412 -2.464 -13.307 3.518 1.00 0.00 C ATOM 640 C ASN B 412 -3.313 -12.241 4.203 1.00 0.00 C ATOM 641 O ASN B 412 -4.486 -12.062 3.875 1.00 0.00 O ATOM 642 CB ASN B 412 -1.764 -12.711 2.296 1.00 0.00 C ATOM 643 CG ASN B 412 -0.732 -11.667 2.674 1.00 0.00 C ATOM 644 OD1 ASN B 412 0.139 -11.911 3.509 1.00 0.00 O ATOM 645 ND2 ASN B 412 -0.824 -10.494 2.059 1.00 0.00 N ATOM 0 H ASN B 412 -4.287 -14.286 3.177 1.00 0.00 H new ATOM 0 HA ASN B 412 -1.711 -13.656 4.225 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -1.280 -13.509 1.733 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -2.508 -12.261 1.638 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -0.157 -9.753 2.272 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -1.562 -10.334 1.373 1.00 0.00 H new ATOM 652 N MET B 413 -2.712 -11.536 5.156 1.00 0.00 N ATOM 653 CA MET B 413 -3.413 -10.486 5.888 1.00 0.00 C ATOM 654 C MET B 413 -2.621 -9.183 5.861 1.00 0.00 C ATOM 655 O MET B 413 -2.638 -8.416 6.823 1.00 0.00 O ATOM 656 CB MET B 413 -3.657 -10.920 7.334 1.00 0.00 C ATOM 657 CG MET B 413 -4.892 -11.787 7.510 1.00 0.00 C ATOM 658 SD MET B 413 -5.360 -11.988 9.239 1.00 0.00 S ATOM 659 CE MET B 413 -6.387 -13.453 9.145 1.00 0.00 C ATOM 0 H MET B 413 -1.742 -11.672 5.440 1.00 0.00 H new ATOM 0 HA MET B 413 -4.373 -10.316 5.401 1.00 0.00 H new ATOM 0 HB2 MET B 413 -2.785 -11.468 7.692 1.00 0.00 H new ATOM 0 HB3 MET B 413 -3.755 -10.032 7.959 1.00 0.00 H new ATOM 0 HG2 MET B 413 -5.723 -11.344 6.962 1.00 0.00 H new ATOM 0 HG3 MET B 413 -4.708 -12.768 7.071 1.00 0.00 H new ATOM 0 HE1 MET B 413 -6.753 -13.705 10.140 1.00 0.00 H new ATOM 0 HE2 MET B 413 -7.233 -13.263 8.484 1.00 0.00 H new ATOM 0 HE3 MET B 413 -5.800 -14.284 8.753 1.00 0.00 H new ATOM 669 N PHE B 414 -1.929 -8.940 4.753 1.00 0.00 N ATOM 670 CA PHE B 414 -1.130 -7.730 4.601 1.00 0.00 C ATOM 671 C PHE B 414 -0.042 -7.657 5.669 1.00 0.00 C ATOM 672 O PHE B 414 -0.116 -6.848 6.593 1.00 0.00 O ATOM 673 CB PHE B 414 -2.027 -6.490 4.679 1.00 0.00 C ATOM 674 CG PHE B 414 -1.389 -5.248 4.122 1.00 0.00 C ATOM 675 CD1 PHE B 414 -0.560 -4.464 4.910 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.619 -4.861 2.810 1.00 0.00 C ATOM 677 CE1 PHE B 414 0.025 -3.321 4.402 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.035 -3.721 2.298 1.00 0.00 C ATOM 679 CZ PHE B 414 -0.211 -2.950 3.093 1.00 0.00 C ATOM 0 H PHE B 414 -1.905 -9.565 3.947 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.649 -7.761 3.623 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -2.952 -6.687 4.137 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.298 -6.313 5.720 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -0.370 -4.751 5.934 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -2.263 -5.459 2.182 1.00 0.00 H new ATOM 0 HE1 PHE B 414 0.666 -2.718 5.028 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.223 -3.432 1.275 1.00 0.00 H new ATOM 0 HZ PHE B 414 0.248 -2.058 2.692 1.00 0.00 H new ATOM 689 N SER B 415 0.970 -8.510 5.535 1.00 0.00 N ATOM 690 CA SER B 415 2.075 -8.541 6.487 1.00 0.00 C ATOM 691 C SER B 415 3.205 -7.625 6.026 1.00 0.00 C ATOM 692 O SER B 415 3.322 -6.489 6.487 1.00 0.00 O ATOM 693 CB SER B 415 2.592 -9.972 6.659 1.00 0.00 C ATOM 694 OG SER B 415 3.857 -9.985 7.296 1.00 0.00 O ATOM 0 H SER B 415 1.047 -9.188 4.777 1.00 0.00 H new ATOM 0 HA SER B 415 1.709 -8.183 7.449 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.880 -10.551 7.247 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.667 -10.454 5.684 1.00 0.00 H new ATOM 0 HG SER B 415 4.164 -10.910 7.395 1.00 0.00 H new ATOM 700 N VAL B 416 4.031 -8.119 5.108 1.00 0.00 N ATOM 701 CA VAL B 416 5.140 -7.335 4.580 1.00 0.00 C ATOM 702 C VAL B 416 5.729 -7.979 3.321 1.00 0.00 C ATOM 703 O VAL B 416 6.928 -8.252 3.254 1.00 0.00 O ATOM 704 CB VAL B 416 6.250 -7.148 5.636 1.00 0.00 C ATOM 705 CG1 VAL B 416 6.917 -8.476 5.963 1.00 0.00 C ATOM 706 CG2 VAL B 416 7.273 -6.128 5.158 1.00 0.00 C ATOM 0 H VAL B 416 3.952 -9.057 4.716 1.00 0.00 H new ATOM 0 HA VAL B 416 4.739 -6.356 4.317 1.00 0.00 H new ATOM 0 HB VAL B 416 5.793 -6.770 6.551 1.00 0.00 H new ATOM 0 HG11 VAL B 416 7.696 -8.318 6.709 1.00 0.00 H new ATOM 0 HG12 VAL B 416 6.173 -9.170 6.355 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.360 -8.893 5.059 1.00 0.00 H new ATOM 0 HG21 VAL B 416 8.048 -6.008 5.915 1.00 0.00 H new ATOM 0 HG22 VAL B 416 7.724 -6.473 4.228 1.00 0.00 H new ATOM 0 HG23 VAL B 416 6.780 -5.170 4.989 1.00 0.00 H new ATOM 716 N PRO B 417 4.889 -8.219 2.296 1.00 0.00 N ATOM 717 CA PRO B 417 5.329 -8.820 1.031 1.00 0.00 C ATOM 718 C PRO B 417 6.337 -7.936 0.302 1.00 0.00 C ATOM 719 O PRO B 417 6.313 -6.714 0.450 1.00 0.00 O ATOM 720 CB PRO B 417 4.040 -8.944 0.206 1.00 0.00 C ATOM 721 CG PRO B 417 2.928 -8.808 1.190 1.00 0.00 C ATOM 722 CD PRO B 417 3.447 -7.915 2.278 1.00 0.00 C ATOM 0 HA PRO B 417 5.832 -9.774 1.192 1.00 0.00 H new ATOM 0 HB2 PRO B 417 3.986 -8.169 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.994 -9.903 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.043 -8.378 0.722 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.638 -9.780 1.588 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.259 -6.863 2.061 1.00 0.00 H new ATOM 0 HD3 PRO B 417 2.977 -8.132 3.237 1.00 0.00 H new ATOM 730 N PRO B 418 7.239 -8.532 -0.496 1.00 0.00 N ATOM 731 CA PRO B 418 8.244 -7.764 -1.235 1.00 0.00 C ATOM 732 C PRO B 418 7.579 -6.746 -2.156 1.00 0.00 C ATOM 733 O PRO B 418 6.545 -7.031 -2.759 1.00 0.00 O ATOM 734 CB PRO B 418 8.987 -8.826 -2.053 1.00 0.00 C ATOM 735 CG PRO B 418 8.720 -10.115 -1.350 1.00 0.00 C ATOM 736 CD PRO B 418 7.353 -9.980 -0.741 1.00 0.00 C ATOM 0 HA PRO B 418 8.904 -7.195 -0.580 1.00 0.00 H new ATOM 0 HB2 PRO B 418 8.626 -8.856 -3.081 1.00 0.00 H new ATOM 0 HB3 PRO B 418 10.055 -8.614 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO B 418 8.756 -10.953 -2.046 1.00 0.00 H new ATOM 0 HG3 PRO B 418 9.472 -10.304 -0.584 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.574 -10.338 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.264 -10.553 0.182 1.00 0.00 H new ATOM 744 N PRO B 419 8.139 -5.528 -2.250 1.00 0.00 N ATOM 745 CA PRO B 419 7.553 -4.466 -3.075 1.00 0.00 C ATOM 746 C PRO B 419 7.668 -4.716 -4.578 1.00 0.00 C ATOM 747 O PRO B 419 8.716 -5.135 -5.071 1.00 0.00 O ATOM 748 CB PRO B 419 8.379 -3.235 -2.693 1.00 0.00 C ATOM 749 CG PRO B 419 9.675 -3.775 -2.197 1.00 0.00 C ATOM 750 CD PRO B 419 9.350 -5.082 -1.537 1.00 0.00 C ATOM 0 HA PRO B 419 6.482 -4.378 -2.894 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.528 -2.579 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO B 419 7.877 -2.647 -1.925 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.379 -3.916 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.141 -3.087 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.165 -5.799 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.167 -4.959 -0.470 1.00 0.00 H new ATOM 758 N PRO B 420 6.585 -4.437 -5.335 1.00 0.00 N ATOM 759 CA PRO B 420 6.554 -4.606 -6.788 1.00 0.00 C ATOM 760 C PRO B 420 7.293 -3.490 -7.531 1.00 0.00 C ATOM 761 O PRO B 420 8.226 -3.751 -8.290 1.00 0.00 O ATOM 762 CB PRO B 420 5.055 -4.572 -7.137 1.00 0.00 C ATOM 763 CG PRO B 420 4.331 -4.511 -5.831 1.00 0.00 C ATOM 764 CD PRO B 420 5.299 -3.933 -4.843 1.00 0.00 C ATOM 0 HA PRO B 420 7.054 -5.528 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.818 -3.707 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.766 -5.458 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.438 -3.891 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO B 420 4.004 -5.503 -5.521 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.267 -2.844 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.092 -4.269 -3.827 1.00 0.00 H new ATOM 772 N ILE B 421 6.845 -2.247 -7.331 1.00 0.00 N ATOM 773 CA ILE B 421 7.443 -1.097 -8.013 1.00 0.00 C ATOM 774 C ILE B 421 8.640 -0.528 -7.247 1.00 0.00 C ATOM 775 O ILE B 421 9.142 -1.147 -6.308 1.00 0.00 O ATOM 776 CB ILE B 421 6.381 0.010 -8.319 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.395 1.155 -7.274 1.00 0.00 C ATOM 778 CG2 ILE B 421 4.991 -0.615 -8.429 1.00 0.00 C ATOM 779 CD1 ILE B 421 5.022 1.593 -6.787 1.00 0.00 C ATOM 0 H ILE B 421 6.074 -2.013 -6.706 1.00 0.00 H new ATOM 0 HA ILE B 421 7.821 -1.462 -8.968 1.00 0.00 H new ATOM 0 HB ILE B 421 6.647 0.463 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.985 0.836 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.903 2.017 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.258 0.163 -8.642 1.00 0.00 H new ATOM 0 HG22 ILE B 421 4.985 -1.350 -9.234 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.737 -1.105 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE B 421 5.133 2.397 -6.060 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.432 1.948 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.515 0.749 -6.320 1.00 0.00 H new ATOM 791 N LEU B 422 9.098 0.650 -7.662 1.00 0.00 N ATOM 792 CA LEU B 422 10.237 1.299 -7.022 1.00 0.00 C ATOM 793 C LEU B 422 10.549 2.621 -7.710 1.00 0.00 C ATOM 794 O LEU B 422 11.704 3.040 -7.783 1.00 0.00 O ATOM 795 CB LEU B 422 11.465 0.386 -7.061 1.00 0.00 C ATOM 796 CG LEU B 422 11.821 -0.161 -8.445 1.00 0.00 C ATOM 797 CD1 LEU B 422 13.325 -0.348 -8.573 1.00 0.00 C ATOM 798 CD2 LEU B 422 11.095 -1.473 -8.701 1.00 0.00 C ATOM 0 H LEU B 422 8.697 1.175 -8.439 1.00 0.00 H new ATOM 0 HA LEU B 422 9.980 1.496 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.322 0.938 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.296 -0.454 -6.387 1.00 0.00 H new ATOM 0 HG LEU B 422 11.500 0.562 -9.195 1.00 0.00 H new ATOM 0 HD11 LEU B 422 13.560 -0.738 -9.563 1.00 0.00 H new ATOM 0 HD12 LEU B 422 13.824 0.611 -8.432 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.670 -1.051 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU B 422 11.359 -1.848 -9.690 1.00 0.00 H new ATOM 0 HD22 LEU B 422 11.386 -2.203 -7.946 1.00 0.00 H new ATOM 0 HD23 LEU B 422 10.019 -1.309 -8.651 1.00 0.00 H new ATOM 810 N GLY B 423 9.505 3.270 -8.217 1.00 0.00 N ATOM 811 CA GLY B 423 9.669 4.535 -8.900 1.00 0.00 C ATOM 812 C GLY B 423 10.803 4.520 -9.911 1.00 0.00 C ATOM 813 O GLY B 423 10.637 4.037 -11.030 1.00 0.00 O ATOM 0 H GLY B 423 8.542 2.937 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY B 423 8.739 4.790 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY B 423 9.855 5.318 -8.164 1.00 0.00 H new ATOM 817 N ARG B 424 11.954 5.048 -9.513 1.00 0.00 N ATOM 818 CA ARG B 424 13.119 5.093 -10.391 1.00 0.00 C ATOM 819 C ARG B 424 12.820 5.903 -11.648 1.00 0.00 C ATOM 820 O ARG B 424 11.660 6.108 -12.006 1.00 0.00 O ATOM 821 CB ARG B 424 13.549 3.676 -10.773 1.00 0.00 C ATOM 822 CG ARG B 424 15.055 3.513 -10.903 1.00 0.00 C ATOM 823 CD ARG B 424 15.415 2.463 -11.941 1.00 0.00 C ATOM 824 NE ARG B 424 14.659 1.226 -11.753 1.00 0.00 N ATOM 825 CZ ARG B 424 14.659 0.219 -12.623 1.00 0.00 C ATOM 826 NH1 ARG B 424 15.370 0.297 -13.741 1.00 0.00 N ATOM 827 NH2 ARG B 424 13.944 -0.870 -12.375 1.00 0.00 N ATOM 0 H ARG B 424 12.107 5.451 -8.589 1.00 0.00 H new ATOM 0 HA ARG B 424 13.932 5.579 -9.852 1.00 0.00 H new ATOM 0 HB2 ARG B 424 13.180 2.978 -10.022 1.00 0.00 H new ATOM 0 HB3 ARG B 424 13.079 3.405 -11.718 1.00 0.00 H new ATOM 0 HG2 ARG B 424 15.503 4.468 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG B 424 15.476 3.231 -9.938 1.00 0.00 H new ATOM 0 HD2 ARG B 424 15.222 2.858 -12.938 1.00 0.00 H new ATOM 0 HD3 ARG B 424 16.482 2.248 -11.884 1.00 0.00 H new ATOM 0 HE ARG B 424 14.099 1.129 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG B 424 15.921 1.133 -13.938 1.00 0.00 H new ATOM 0 HH12 ARG B 424 15.365 -0.479 -14.403 1.00 0.00 H new ATOM 0 HH21 ARG B 424 13.395 -0.935 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG B 424 13.943 -1.642 -13.041 1.00 0.00 H new ATOM 841 N GLY B 425 13.875 6.361 -12.315 1.00 0.00 N ATOM 842 CA GLY B 425 13.704 7.143 -13.525 1.00 0.00 C ATOM 843 C GLY B 425 13.080 6.342 -14.651 1.00 0.00 C ATOM 844 O GLY B 425 13.423 6.598 -15.824 1.00 0.00 O ATOM 845 OXT GLY B 425 12.249 5.456 -14.359 1.00 0.00 O ATOM 0 H GLY B 425 14.844 6.204 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY B 425 13.078 8.009 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY B 425 14.673 7.523 -13.848 1.00 0.00 H new TER 849 GLY B 425