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: B 410 HIS : no HD1:sc= -0.15 X(o=-1.4,f=-1.2) USER MOD Set 1.2: B 412 ASN : amide:sc= -1.21 K(o=-1.4,f=-2.4!) USER MOD Single : A 654 TYR OH : rot 180:sc= 0 USER MOD Single : A 655 SER OG : rot -90:sc= -4.26! USER MOD Single : A 657 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 661 TYR OH : rot -13:sc= -0.982! USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 SER OG : rot 48:sc= -0.787 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 677 THR OG1 : rot 75:sc= -0.442 USER MOD Single : A 679 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.446) USER MOD Single : A 680 ASN : amide:sc= -0.645 K(o=-0.65,f=-3.1!) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 683 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.3!) USER MOD Single : B 411 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 413 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 415 SER OG : rot 180:sc= -0.0892 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 651 9.970 0.795 15.417 1.00 0.00 N ATOM 2 CA GLY A 651 9.014 1.536 14.548 1.00 0.00 C ATOM 3 C GLY A 651 9.089 1.100 13.099 1.00 0.00 C ATOM 4 O GLY A 651 10.179 0.922 12.553 1.00 0.00 O ATOM 0 HA2 GLY A 651 8.000 1.385 14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 651 9.221 2.604 14.614 1.00 0.00 H new ATOM 9 N ALA A 652 7.930 0.928 12.473 1.00 0.00 N ATOM 10 CA ALA A 652 7.868 0.510 11.079 1.00 0.00 C ATOM 11 C ALA A 652 7.489 1.675 10.172 1.00 0.00 C ATOM 12 O ALA A 652 8.278 2.098 9.327 1.00 0.00 O ATOM 13 CB ALA A 652 6.877 -0.633 10.912 1.00 0.00 C ATOM 0 H ALA A 652 7.020 1.072 12.910 1.00 0.00 H new ATOM 0 HA ALA A 652 8.859 0.163 10.787 1.00 0.00 H new ATOM 0 HB1 ALA A 652 6.842 -0.934 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 652 7.191 -1.479 11.523 1.00 0.00 H new ATOM 0 HB3 ALA A 652 5.887 -0.305 11.229 1.00 0.00 H new ATOM 19 N ASP A 653 6.274 2.184 10.350 1.00 0.00 N ATOM 20 CA ASP A 653 5.785 3.297 9.543 1.00 0.00 C ATOM 21 C ASP A 653 5.937 2.994 8.059 1.00 0.00 C ATOM 22 O ASP A 653 6.971 3.279 7.454 1.00 0.00 O ATOM 23 CB ASP A 653 6.528 4.586 9.899 1.00 0.00 C ATOM 24 CG ASP A 653 6.212 5.069 11.301 1.00 0.00 C ATOM 25 OD1 ASP A 653 5.133 4.713 11.821 1.00 0.00 O ATOM 26 OD2 ASP A 653 7.042 5.802 11.877 1.00 0.00 O ATOM 0 H ASP A 653 5.610 1.844 11.046 1.00 0.00 H new ATOM 0 HA ASP A 653 4.726 3.434 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 653 7.601 4.420 9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 653 6.264 5.364 9.182 1.00 0.00 H new ATOM 31 N TYR A 654 4.899 2.404 7.488 1.00 0.00 N ATOM 32 CA TYR A 654 4.897 2.037 6.078 1.00 0.00 C ATOM 33 C TYR A 654 3.480 2.046 5.525 1.00 0.00 C ATOM 34 O TYR A 654 2.958 1.015 5.103 1.00 0.00 O ATOM 35 CB TYR A 654 5.510 0.647 5.897 1.00 0.00 C ATOM 36 CG TYR A 654 4.805 -0.438 6.690 1.00 0.00 C ATOM 37 CD1 TYR A 654 3.738 -0.136 7.536 1.00 0.00 C ATOM 38 CD2 TYR A 654 5.210 -1.765 6.598 1.00 0.00 C ATOM 39 CE1 TYR A 654 3.105 -1.115 8.260 1.00 0.00 C ATOM 40 CE2 TYR A 654 4.575 -2.754 7.325 1.00 0.00 C ATOM 41 CZ TYR A 654 3.524 -2.425 8.156 1.00 0.00 C ATOM 42 OH TYR A 654 2.890 -3.406 8.882 1.00 0.00 O ATOM 0 H TYR A 654 4.039 2.167 7.983 1.00 0.00 H new ATOM 0 HA TYR A 654 5.492 2.769 5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 654 5.488 0.385 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 654 6.558 0.680 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 654 3.404 0.887 7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 654 6.033 -2.027 5.949 1.00 0.00 H new ATOM 0 HE1 TYR A 654 2.281 -0.860 8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 654 4.900 -3.781 7.243 1.00 0.00 H new ATOM 0 HH TYR A 654 3.306 -4.273 8.694 1.00 0.00 H new ATOM 52 N SER A 655 2.865 3.215 5.529 1.00 0.00 N ATOM 53 CA SER A 655 1.511 3.363 5.018 1.00 0.00 C ATOM 54 C SER A 655 1.456 4.475 3.982 1.00 0.00 C ATOM 55 O SER A 655 0.386 4.856 3.508 1.00 0.00 O ATOM 56 CB SER A 655 0.532 3.638 6.158 1.00 0.00 C ATOM 57 OG SER A 655 1.220 4.008 7.339 1.00 0.00 O ATOM 0 H SER A 655 3.281 4.078 5.880 1.00 0.00 H new ATOM 0 HA SER A 655 1.218 2.429 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 655 -0.155 4.433 5.869 1.00 0.00 H new ATOM 0 HB3 SER A 655 -0.071 2.750 6.347 1.00 0.00 H new ATOM 0 HG SER A 655 1.422 3.206 7.865 1.00 0.00 H new ATOM 63 N ALA A 656 2.629 4.967 3.615 1.00 0.00 N ATOM 64 CA ALA A 656 2.744 6.006 2.610 1.00 0.00 C ATOM 65 C ALA A 656 3.515 5.466 1.437 1.00 0.00 C ATOM 66 O ALA A 656 3.082 5.553 0.287 1.00 0.00 O ATOM 67 CB ALA A 656 3.455 7.228 3.159 1.00 0.00 C ATOM 0 H ALA A 656 3.520 4.659 4.003 1.00 0.00 H new ATOM 0 HA ALA A 656 1.742 6.306 2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 656 3.525 7.988 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 656 2.895 7.625 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 656 4.457 6.950 3.486 1.00 0.00 H new ATOM 73 N GLN A 657 4.660 4.885 1.745 1.00 0.00 N ATOM 74 CA GLN A 657 5.494 4.305 0.725 1.00 0.00 C ATOM 75 C GLN A 657 5.055 2.870 0.456 1.00 0.00 C ATOM 76 O GLN A 657 5.581 2.205 -0.436 1.00 0.00 O ATOM 77 CB GLN A 657 6.967 4.351 1.135 1.00 0.00 C ATOM 78 CG GLN A 657 7.929 4.138 -0.021 1.00 0.00 C ATOM 79 CD GLN A 657 9.378 4.326 0.385 1.00 0.00 C ATOM 80 OE1 GLN A 657 10.105 3.356 0.604 1.00 0.00 O ATOM 81 NE2 GLN A 657 9.806 5.579 0.487 1.00 0.00 N ATOM 0 H GLN A 657 5.028 4.806 2.693 1.00 0.00 H new ATOM 0 HA GLN A 657 5.385 4.887 -0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 657 7.176 5.316 1.597 1.00 0.00 H new ATOM 0 HB3 GLN A 657 7.148 3.588 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 657 7.795 3.133 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 657 7.687 4.835 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 657 9.169 6.353 0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 657 10.772 5.768 0.756 1.00 0.00 H new ATOM 90 N TRP A 658 4.071 2.403 1.230 1.00 0.00 N ATOM 91 CA TRP A 658 3.540 1.064 1.064 1.00 0.00 C ATOM 92 C TRP A 658 2.248 1.148 0.277 1.00 0.00 C ATOM 93 O TRP A 658 1.949 0.280 -0.545 1.00 0.00 O ATOM 94 CB TRP A 658 3.292 0.419 2.425 1.00 0.00 C ATOM 95 CG TRP A 658 4.213 -0.720 2.733 1.00 0.00 C ATOM 96 CD1 TRP A 658 3.889 -1.882 3.371 1.00 0.00 C ATOM 97 CD2 TRP A 658 5.608 -0.806 2.424 1.00 0.00 C ATOM 98 NE1 TRP A 658 4.997 -2.685 3.478 1.00 0.00 N ATOM 99 CE2 TRP A 658 6.064 -2.046 2.904 1.00 0.00 C ATOM 100 CE3 TRP A 658 6.517 0.044 1.787 1.00 0.00 C ATOM 101 CZ2 TRP A 658 7.387 -2.455 2.769 1.00 0.00 C ATOM 102 CZ3 TRP A 658 7.830 -0.363 1.653 1.00 0.00 C ATOM 103 CH2 TRP A 658 8.255 -1.604 2.141 1.00 0.00 C ATOM 0 H TRP A 658 3.631 2.941 1.977 1.00 0.00 H new ATOM 0 HA TRP A 658 4.259 0.448 0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 658 3.397 1.178 3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 658 2.263 0.062 2.465 1.00 0.00 H new ATOM 0 HD1 TRP A 658 2.905 -2.133 3.738 1.00 0.00 H new ATOM 0 HE1 TRP A 658 5.022 -3.607 3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 658 6.198 1.003 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 658 7.717 -3.411 3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 658 8.540 0.287 1.164 1.00 0.00 H new ATOM 0 HH2 TRP A 658 9.288 -1.895 2.020 1.00 0.00 H new ATOM 114 N ALA A 659 1.500 2.221 0.511 1.00 0.00 N ATOM 115 CA ALA A 659 0.262 2.432 -0.205 1.00 0.00 C ATOM 116 C ALA A 659 0.585 2.806 -1.642 1.00 0.00 C ATOM 117 O ALA A 659 -0.166 2.490 -2.563 1.00 0.00 O ATOM 118 CB ALA A 659 -0.580 3.510 0.470 1.00 0.00 C ATOM 0 H ALA A 659 1.733 2.949 1.187 1.00 0.00 H new ATOM 0 HA ALA A 659 -0.326 1.514 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 659 -1.506 3.650 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 659 -0.813 3.204 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 659 -0.023 4.447 0.490 1.00 0.00 H new ATOM 124 N GLU A 660 1.735 3.465 -1.830 1.00 0.00 N ATOM 125 CA GLU A 660 2.179 3.859 -3.160 1.00 0.00 C ATOM 126 C GLU A 660 2.172 2.656 -4.080 1.00 0.00 C ATOM 127 O GLU A 660 1.883 2.763 -5.270 1.00 0.00 O ATOM 128 CB GLU A 660 3.588 4.455 -3.123 1.00 0.00 C ATOM 129 CG GLU A 660 4.662 3.445 -2.763 1.00 0.00 C ATOM 130 CD GLU A 660 6.001 4.092 -2.470 1.00 0.00 C ATOM 131 OE1 GLU A 660 6.030 5.319 -2.236 1.00 0.00 O ATOM 132 OE2 GLU A 660 7.022 3.372 -2.478 1.00 0.00 O ATOM 0 H GLU A 660 2.368 3.733 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 660 1.491 4.619 -3.531 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.818 4.886 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.610 5.271 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 660 4.341 2.875 -1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.778 2.736 -3.583 1.00 0.00 H new ATOM 139 N TYR A 661 2.495 1.504 -3.508 1.00 0.00 N ATOM 140 CA TYR A 661 2.531 0.267 -4.261 1.00 0.00 C ATOM 141 C TYR A 661 1.134 -0.128 -4.706 1.00 0.00 C ATOM 142 O TYR A 661 0.869 -0.308 -5.893 1.00 0.00 O ATOM 143 CB TYR A 661 3.133 -0.841 -3.401 1.00 0.00 C ATOM 144 CG TYR A 661 4.636 -0.800 -3.355 1.00 0.00 C ATOM 145 CD1 TYR A 661 5.363 -0.755 -4.528 1.00 0.00 C ATOM 146 CD2 TYR A 661 5.326 -0.804 -2.149 1.00 0.00 C ATOM 147 CE1 TYR A 661 6.737 -0.717 -4.515 1.00 0.00 C ATOM 148 CE2 TYR A 661 6.708 -0.766 -2.121 1.00 0.00 C ATOM 149 CZ TYR A 661 7.410 -0.721 -3.310 1.00 0.00 C ATOM 150 OH TYR A 661 8.785 -0.677 -3.291 1.00 0.00 O ATOM 0 H TYR A 661 2.736 1.405 -2.522 1.00 0.00 H new ATOM 0 HA TYR A 661 3.148 0.415 -5.147 1.00 0.00 H new ATOM 0 HB2 TYR A 661 2.742 -0.759 -2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 661 2.813 -1.808 -3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 661 4.842 -0.750 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 661 4.775 -0.837 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 661 7.287 -0.684 -5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 661 7.234 -0.771 -1.178 1.00 0.00 H new ATOM 0 HH TYR A 661 9.131 -0.858 -4.190 1.00 0.00 H new ATOM 160 N TYR A 662 0.252 -0.273 -3.734 1.00 0.00 N ATOM 161 CA TYR A 662 -1.121 -0.666 -3.993 1.00 0.00 C ATOM 162 C TYR A 662 -1.862 0.354 -4.837 1.00 0.00 C ATOM 163 O TYR A 662 -2.827 0.006 -5.515 1.00 0.00 O ATOM 164 CB TYR A 662 -1.826 -0.914 -2.673 1.00 0.00 C ATOM 165 CG TYR A 662 -1.013 -1.812 -1.788 1.00 0.00 C ATOM 166 CD1 TYR A 662 -0.870 -3.160 -2.080 1.00 0.00 C ATOM 167 CD2 TYR A 662 -0.357 -1.304 -0.687 1.00 0.00 C ATOM 168 CE1 TYR A 662 -0.096 -3.979 -1.288 1.00 0.00 C ATOM 169 CE2 TYR A 662 0.415 -2.109 0.118 1.00 0.00 C ATOM 170 CZ TYR A 662 0.545 -3.450 -0.184 1.00 0.00 C ATOM 171 OH TYR A 662 1.322 -4.260 0.613 1.00 0.00 O ATOM 0 H TYR A 662 0.465 -0.123 -2.748 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.112 -1.588 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -2.004 0.035 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.801 -1.365 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -1.373 -3.574 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -0.451 -0.254 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.009 -5.027 -1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 662 0.916 -1.695 0.980 1.00 0.00 H new ATOM 0 HH TYR A 662 1.702 -3.731 1.345 1.00 0.00 H new ATOM 181 N ARG A 663 -1.406 1.604 -4.837 1.00 0.00 N ATOM 182 CA ARG A 663 -2.057 2.609 -5.662 1.00 0.00 C ATOM 183 C ARG A 663 -1.387 2.684 -7.025 1.00 0.00 C ATOM 184 O ARG A 663 -1.336 3.740 -7.656 1.00 0.00 O ATOM 185 CB ARG A 663 -2.087 3.982 -4.993 1.00 0.00 C ATOM 186 CG ARG A 663 -0.732 4.506 -4.564 1.00 0.00 C ATOM 187 CD ARG A 663 -0.857 5.306 -3.283 1.00 0.00 C ATOM 188 NE ARG A 663 0.113 6.397 -3.215 1.00 0.00 N ATOM 189 CZ ARG A 663 0.108 7.446 -4.035 1.00 0.00 C ATOM 190 NH1 ARG A 663 -0.812 7.550 -4.985 1.00 0.00 N ATOM 191 NH2 ARG A 663 1.026 8.394 -3.903 1.00 0.00 N ATOM 0 H ARG A 663 -0.611 1.936 -4.291 1.00 0.00 H new ATOM 0 HA ARG A 663 -3.095 2.302 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 663 -2.537 4.697 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 663 -2.735 3.931 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 663 -0.044 3.674 -4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 663 -0.311 5.131 -5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 663 -1.865 5.714 -3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 663 -0.717 4.644 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 663 0.836 6.352 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 663 -1.521 6.824 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 663 -0.811 8.356 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 663 1.735 8.319 -3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 663 1.023 9.198 -4.531 1.00 0.00 H new ATOM 205 N SER A 664 -0.883 1.536 -7.472 1.00 0.00 N ATOM 206 CA SER A 664 -0.221 1.425 -8.762 1.00 0.00 C ATOM 207 C SER A 664 0.349 0.021 -8.964 1.00 0.00 C ATOM 208 O SER A 664 1.303 -0.167 -9.720 1.00 0.00 O ATOM 209 CB SER A 664 0.880 2.473 -8.889 1.00 0.00 C ATOM 210 OG SER A 664 1.320 2.912 -7.618 1.00 0.00 O ATOM 0 H SER A 664 -0.924 0.661 -6.949 1.00 0.00 H new ATOM 0 HA SER A 664 -0.962 1.605 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 664 1.721 2.055 -9.443 1.00 0.00 H new ATOM 0 HB3 SER A 664 0.511 3.323 -9.462 1.00 0.00 H new ATOM 0 HG SER A 664 1.485 2.136 -7.043 1.00 0.00 H new ATOM 216 N VAL A 665 -0.256 -0.964 -8.300 1.00 0.00 N ATOM 217 CA VAL A 665 0.176 -2.351 -8.425 1.00 0.00 C ATOM 218 C VAL A 665 -1.007 -3.258 -8.766 1.00 0.00 C ATOM 219 O VAL A 665 -0.844 -4.467 -8.936 1.00 0.00 O ATOM 220 CB VAL A 665 0.879 -2.863 -7.142 1.00 0.00 C ATOM 221 CG1 VAL A 665 -0.124 -3.193 -6.042 1.00 0.00 C ATOM 222 CG2 VAL A 665 1.741 -4.076 -7.458 1.00 0.00 C ATOM 0 H VAL A 665 -1.046 -0.824 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 665 0.902 -2.384 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 665 1.518 -2.061 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 665 0.408 -3.549 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 665 -0.692 -2.298 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 665 -0.806 -3.968 -6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 665 2.228 -4.424 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 665 1.115 -4.872 -7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 665 2.499 -3.803 -8.193 1.00 0.00 H new ATOM 232 N GLY A 666 -2.198 -2.665 -8.880 1.00 0.00 N ATOM 233 CA GLY A 666 -3.380 -3.437 -9.217 1.00 0.00 C ATOM 234 C GLY A 666 -4.491 -3.329 -8.186 1.00 0.00 C ATOM 235 O GLY A 666 -5.338 -4.218 -8.101 1.00 0.00 O ATOM 0 H GLY A 666 -2.361 -1.667 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 666 -3.759 -3.103 -10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 666 -3.100 -4.484 -9.329 1.00 0.00 H new ATOM 239 N LYS A 667 -4.504 -2.248 -7.402 1.00 0.00 N ATOM 240 CA LYS A 667 -5.547 -2.074 -6.389 1.00 0.00 C ATOM 241 C LYS A 667 -5.388 -0.770 -5.601 1.00 0.00 C ATOM 242 O LYS A 667 -5.065 -0.791 -4.413 1.00 0.00 O ATOM 243 CB LYS A 667 -5.548 -3.260 -5.422 1.00 0.00 C ATOM 244 CG LYS A 667 -4.206 -3.496 -4.748 1.00 0.00 C ATOM 245 CD LYS A 667 -3.402 -4.568 -5.468 1.00 0.00 C ATOM 246 CE LYS A 667 -2.639 -5.444 -4.488 1.00 0.00 C ATOM 247 NZ LYS A 667 -2.443 -6.824 -5.013 1.00 0.00 N ATOM 0 H LYS A 667 -3.819 -1.494 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 667 -6.498 -2.024 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -6.306 -3.093 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -5.836 -4.160 -5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -3.639 -2.566 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.365 -3.794 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -4.072 -5.187 -6.066 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -2.702 -4.097 -6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -1.669 -4.994 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -3.181 -5.489 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -1.919 -7.390 -4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -3.369 -7.263 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -1.904 -6.784 -5.902 1.00 0.00 H new ATOM 261 N ILE A 668 -5.641 0.362 -6.256 1.00 0.00 N ATOM 262 CA ILE A 668 -5.547 1.665 -5.595 1.00 0.00 C ATOM 263 C ILE A 668 -6.540 1.738 -4.456 1.00 0.00 C ATOM 264 O ILE A 668 -6.221 2.177 -3.351 1.00 0.00 O ATOM 265 CB ILE A 668 -5.834 2.825 -6.575 1.00 0.00 C ATOM 266 CG1 ILE A 668 -4.628 3.070 -7.470 1.00 0.00 C ATOM 267 CG2 ILE A 668 -6.199 4.103 -5.827 1.00 0.00 C ATOM 268 CD1 ILE A 668 -4.022 1.801 -8.020 1.00 0.00 C ATOM 0 H ILE A 668 -5.911 0.405 -7.239 1.00 0.00 H new ATOM 0 HA ILE A 668 -4.528 1.767 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 668 -6.685 2.539 -7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 668 -4.925 3.711 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 668 -3.869 3.611 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 668 -6.395 4.901 -6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 668 -7.090 3.930 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 668 -5.373 4.393 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 668 -3.167 2.049 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 668 -3.694 1.167 -7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 668 -4.766 1.269 -8.613 1.00 0.00 H new ATOM 280 N GLU A 669 -7.748 1.294 -4.742 1.00 0.00 N ATOM 281 CA GLU A 669 -8.815 1.283 -3.765 1.00 0.00 C ATOM 282 C GLU A 669 -8.347 0.618 -2.480 1.00 0.00 C ATOM 283 O GLU A 669 -8.703 1.043 -1.381 1.00 0.00 O ATOM 284 CB GLU A 669 -10.009 0.550 -4.360 1.00 0.00 C ATOM 285 CG GLU A 669 -11.345 1.213 -4.072 1.00 0.00 C ATOM 286 CD GLU A 669 -12.122 0.508 -2.977 1.00 0.00 C ATOM 287 OE1 GLU A 669 -11.794 0.713 -1.790 1.00 0.00 O ATOM 288 OE2 GLU A 669 -13.058 -0.251 -3.308 1.00 0.00 O ATOM 0 H GLU A 669 -8.016 0.932 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 669 -9.107 2.303 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 669 -9.876 0.476 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 669 -10.028 -0.468 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 669 -11.177 2.250 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 669 -11.942 1.229 -4.984 1.00 0.00 H new ATOM 295 N GLU A 670 -7.517 -0.404 -2.629 1.00 0.00 N ATOM 296 CA GLU A 670 -6.964 -1.099 -1.482 1.00 0.00 C ATOM 297 C GLU A 670 -5.788 -0.308 -0.936 1.00 0.00 C ATOM 298 O GLU A 670 -5.486 -0.377 0.255 1.00 0.00 O ATOM 299 CB GLU A 670 -6.523 -2.514 -1.862 1.00 0.00 C ATOM 300 CG GLU A 670 -7.675 -3.498 -1.983 1.00 0.00 C ATOM 301 CD GLU A 670 -8.373 -3.415 -3.327 1.00 0.00 C ATOM 302 OE1 GLU A 670 -9.175 -2.477 -3.523 1.00 0.00 O ATOM 303 OE2 GLU A 670 -8.119 -4.288 -4.184 1.00 0.00 O ATOM 0 H GLU A 670 -7.214 -0.768 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 670 -7.733 -1.184 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 670 -5.987 -2.476 -2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 670 -5.820 -2.880 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 670 -7.300 -4.511 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 670 -8.397 -3.306 -1.190 1.00 0.00 H new ATOM 310 N ALA A 671 -5.139 0.476 -1.803 1.00 0.00 N ATOM 311 CA ALA A 671 -4.026 1.290 -1.361 1.00 0.00 C ATOM 312 C ALA A 671 -4.512 2.294 -0.334 1.00 0.00 C ATOM 313 O ALA A 671 -3.800 2.623 0.614 1.00 0.00 O ATOM 314 CB ALA A 671 -3.353 1.986 -2.526 1.00 0.00 C ATOM 0 H ALA A 671 -5.367 0.557 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 671 -3.279 0.642 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 671 -2.522 2.589 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 671 -2.979 1.241 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 671 -4.073 2.630 -3.030 1.00 0.00 H new ATOM 320 N GLU A 672 -5.754 2.751 -0.503 1.00 0.00 N ATOM 321 CA GLU A 672 -6.341 3.683 0.447 1.00 0.00 C ATOM 322 C GLU A 672 -6.380 3.033 1.827 1.00 0.00 C ATOM 323 O GLU A 672 -6.446 3.716 2.849 1.00 0.00 O ATOM 324 CB GLU A 672 -7.751 4.084 0.010 1.00 0.00 C ATOM 325 CG GLU A 672 -7.841 4.492 -1.451 1.00 0.00 C ATOM 326 CD GLU A 672 -8.868 5.581 -1.691 1.00 0.00 C ATOM 327 OE1 GLU A 672 -8.801 6.622 -1.003 1.00 0.00 O ATOM 328 OE2 GLU A 672 -9.741 5.393 -2.565 1.00 0.00 O ATOM 0 H GLU A 672 -6.362 2.492 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 672 -5.731 4.586 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -8.429 3.249 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -8.094 4.911 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -6.864 4.839 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -8.095 3.619 -2.053 1.00 0.00 H new ATOM 335 N ALA A 673 -6.324 1.700 1.839 1.00 0.00 N ATOM 336 CA ALA A 673 -6.336 0.941 3.078 1.00 0.00 C ATOM 337 C ALA A 673 -5.007 1.085 3.808 1.00 0.00 C ATOM 338 O ALA A 673 -4.963 1.121 5.038 1.00 0.00 O ATOM 339 CB ALA A 673 -6.635 -0.524 2.800 1.00 0.00 C ATOM 0 H ALA A 673 -6.270 1.127 0.997 1.00 0.00 H new ATOM 0 HA ALA A 673 -7.123 1.340 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 673 -6.640 -1.079 3.738 1.00 0.00 H new ATOM 0 HB2 ALA A 673 -7.610 -0.612 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 673 -5.869 -0.933 2.141 1.00 0.00 H new ATOM 345 N ILE A 674 -3.923 1.183 3.042 1.00 0.00 N ATOM 346 CA ILE A 674 -2.597 1.340 3.622 1.00 0.00 C ATOM 347 C ILE A 674 -2.502 2.680 4.330 1.00 0.00 C ATOM 348 O ILE A 674 -1.979 2.779 5.435 1.00 0.00 O ATOM 349 CB ILE A 674 -1.478 1.253 2.557 1.00 0.00 C ATOM 350 CG1 ILE A 674 -1.305 -0.167 2.045 1.00 0.00 C ATOM 351 CG2 ILE A 674 -0.163 1.732 3.125 1.00 0.00 C ATOM 352 CD1 ILE A 674 -2.421 -0.614 1.152 1.00 0.00 C ATOM 0 H ILE A 674 -3.939 1.156 2.022 1.00 0.00 H new ATOM 0 HA ILE A 674 -2.455 0.522 4.328 1.00 0.00 H new ATOM 0 HB ILE A 674 -1.776 1.893 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 674 -0.363 -0.238 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 674 -1.234 -0.846 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 674 0.611 1.663 2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 674 -0.262 2.768 3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 674 0.113 1.111 3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 674 -2.236 -1.636 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 674 -3.363 -0.575 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 674 -2.478 0.043 0.284 1.00 0.00 H new ATOM 364 N GLU A 675 -3.021 3.714 3.686 1.00 0.00 N ATOM 365 CA GLU A 675 -2.998 5.046 4.262 1.00 0.00 C ATOM 366 C GLU A 675 -3.574 5.024 5.676 1.00 0.00 C ATOM 367 O GLU A 675 -3.239 5.869 6.505 1.00 0.00 O ATOM 368 CB GLU A 675 -3.770 6.021 3.372 1.00 0.00 C ATOM 369 CG GLU A 675 -2.887 7.068 2.714 1.00 0.00 C ATOM 370 CD GLU A 675 -2.196 7.965 3.722 1.00 0.00 C ATOM 371 OE1 GLU A 675 -2.071 7.553 4.895 1.00 0.00 O ATOM 372 OE2 GLU A 675 -1.781 9.079 3.340 1.00 0.00 O ATOM 0 H GLU A 675 -3.461 3.655 2.768 1.00 0.00 H new ATOM 0 HA GLU A 675 -1.964 5.385 4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 675 -4.292 5.459 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 675 -4.531 6.522 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 675 -2.136 6.571 2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 675 -3.492 7.679 2.044 1.00 0.00 H new ATOM 379 N LYS A 676 -4.429 4.039 5.950 1.00 0.00 N ATOM 380 CA LYS A 676 -5.027 3.902 7.272 1.00 0.00 C ATOM 381 C LYS A 676 -4.003 3.375 8.274 1.00 0.00 C ATOM 382 O LYS A 676 -4.091 3.663 9.468 1.00 0.00 O ATOM 383 CB LYS A 676 -6.241 2.971 7.216 1.00 0.00 C ATOM 384 CG LYS A 676 -7.437 3.485 8.002 1.00 0.00 C ATOM 385 CD LYS A 676 -8.747 3.043 7.372 1.00 0.00 C ATOM 386 CE LYS A 676 -8.905 1.531 7.418 1.00 0.00 C ATOM 387 NZ LYS A 676 -9.709 1.021 6.272 1.00 0.00 N ATOM 0 H LYS A 676 -4.720 3.330 5.277 1.00 0.00 H new ATOM 0 HA LYS A 676 -5.357 4.887 7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 676 -6.533 2.831 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 676 -5.956 1.992 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 676 -7.384 3.120 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 676 -7.403 4.573 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 676 -9.580 3.513 7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 676 -8.787 3.383 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 676 -7.921 1.063 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 676 -9.385 1.244 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 676 -9.793 -0.013 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 676 -10.657 1.448 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 676 -9.239 1.272 5.379 1.00 0.00 H new ATOM 401 N THR A 677 -3.022 2.617 7.785 1.00 0.00 N ATOM 402 CA THR A 677 -1.985 2.082 8.661 1.00 0.00 C ATOM 403 C THR A 677 -1.157 3.221 9.241 1.00 0.00 C ATOM 404 O THR A 677 -0.591 3.100 10.327 1.00 0.00 O ATOM 405 CB THR A 677 -1.078 1.088 7.920 1.00 0.00 C ATOM 406 OG1 THR A 677 -1.566 0.823 6.618 1.00 0.00 O ATOM 407 CG2 THR A 677 -0.949 -0.239 8.635 1.00 0.00 C ATOM 0 H THR A 677 -2.925 2.363 6.802 1.00 0.00 H new ATOM 0 HA THR A 677 -2.474 1.542 9.472 1.00 0.00 H new ATOM 0 HB THR A 677 -0.100 1.568 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 677 -1.387 1.593 6.039 1.00 0.00 H new ATOM 0 HG21 THR A 677 -0.296 -0.899 8.063 1.00 0.00 H new ATOM 0 HG22 THR A 677 -0.525 -0.079 9.626 1.00 0.00 H new ATOM 0 HG23 THR A 677 -1.933 -0.697 8.732 1.00 0.00 H new ATOM 415 N LEU A 678 -1.112 4.341 8.517 1.00 0.00 N ATOM 416 CA LEU A 678 -0.375 5.513 8.973 1.00 0.00 C ATOM 417 C LEU A 678 -0.825 5.893 10.375 1.00 0.00 C ATOM 418 O LEU A 678 -0.028 6.345 11.198 1.00 0.00 O ATOM 419 CB LEU A 678 -0.590 6.684 8.012 1.00 0.00 C ATOM 420 CG LEU A 678 0.691 7.316 7.464 1.00 0.00 C ATOM 421 CD1 LEU A 678 1.032 6.733 6.101 1.00 0.00 C ATOM 422 CD2 LEU A 678 0.543 8.828 7.380 1.00 0.00 C ATOM 0 H LEU A 678 -1.576 4.458 7.616 1.00 0.00 H new ATOM 0 HA LEU A 678 0.688 5.275 8.994 1.00 0.00 H new ATOM 0 HB2 LEU A 678 -1.195 6.339 7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 678 -1.166 7.454 8.525 1.00 0.00 H new ATOM 0 HG LEU A 678 1.509 7.089 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 678 1.946 7.194 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 678 1.179 5.657 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 678 0.215 6.930 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 678 1.463 9.262 6.988 1.00 0.00 H new ATOM 0 HD22 LEU A 678 -0.286 9.076 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 678 0.346 9.230 8.374 1.00 0.00 H new ATOM 434 N LYS A 679 -2.111 5.685 10.644 1.00 0.00 N ATOM 435 CA LYS A 679 -2.670 5.984 11.954 1.00 0.00 C ATOM 436 C LYS A 679 -1.945 5.193 13.041 1.00 0.00 C ATOM 437 O LYS A 679 -1.971 5.562 14.216 1.00 0.00 O ATOM 438 CB LYS A 679 -4.164 5.656 11.975 1.00 0.00 C ATOM 439 CG LYS A 679 -4.834 5.943 13.309 1.00 0.00 C ATOM 440 CD LYS A 679 -4.930 7.437 13.573 1.00 0.00 C ATOM 441 CE LYS A 679 -6.291 7.987 13.175 1.00 0.00 C ATOM 442 NZ LYS A 679 -6.371 8.271 11.716 1.00 0.00 N ATOM 0 H LYS A 679 -2.782 5.312 9.973 1.00 0.00 H new ATOM 0 HA LYS A 679 -2.536 7.047 12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 679 -4.664 6.231 11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 679 -4.299 4.603 11.730 1.00 0.00 H new ATOM 0 HG2 LYS A 679 -5.832 5.506 13.318 1.00 0.00 H new ATOM 0 HG3 LYS A 679 -4.270 5.466 14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 679 -4.752 7.633 14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 679 -4.150 7.957 13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 679 -7.066 7.271 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 679 -6.491 8.901 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 679 -7.169 8.911 11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 679 -5.487 8.719 11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 679 -6.512 7.381 11.196 1.00 0.00 H new ATOM 456 N ASN A 680 -1.294 4.101 12.638 1.00 0.00 N ATOM 457 CA ASN A 680 -0.555 3.253 13.568 1.00 0.00 C ATOM 458 C ASN A 680 0.435 4.073 14.390 1.00 0.00 C ATOM 459 O ASN A 680 1.273 4.787 13.840 1.00 0.00 O ATOM 460 CB ASN A 680 0.188 2.153 12.805 1.00 0.00 C ATOM 461 CG ASN A 680 0.897 1.184 13.732 1.00 0.00 C ATOM 462 OD1 ASN A 680 1.711 1.586 14.563 1.00 0.00 O ATOM 463 ND2 ASN A 680 0.591 -0.100 13.592 1.00 0.00 N ATOM 0 H ASN A 680 -1.265 3.784 11.669 1.00 0.00 H new ATOM 0 HA ASN A 680 -1.272 2.796 14.250 1.00 0.00 H new ATOM 0 HB2 ASN A 680 -0.519 1.605 12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 680 0.916 2.608 12.134 1.00 0.00 H new ATOM 0 HD21 ASN A 680 1.037 -0.798 14.187 1.00 0.00 H new ATOM 0 HD22 ASN A 680 -0.090 -0.388 12.890 1.00 0.00 H new ATOM 470 N LYS A 681 0.331 3.967 15.711 1.00 0.00 N ATOM 471 CA LYS A 681 1.217 4.698 16.609 1.00 0.00 C ATOM 472 C LYS A 681 1.166 4.114 18.018 1.00 0.00 C ATOM 473 O LYS A 681 0.947 4.833 18.993 1.00 0.00 O ATOM 474 CB LYS A 681 0.834 6.180 16.641 1.00 0.00 C ATOM 475 CG LYS A 681 1.999 7.102 16.963 1.00 0.00 C ATOM 476 CD LYS A 681 1.531 8.530 17.194 1.00 0.00 C ATOM 477 CE LYS A 681 2.546 9.539 16.681 1.00 0.00 C ATOM 478 NZ LYS A 681 2.203 10.929 17.089 1.00 0.00 N ATOM 0 H LYS A 681 -0.358 3.382 16.183 1.00 0.00 H new ATOM 0 HA LYS A 681 2.236 4.602 16.234 1.00 0.00 H new ATOM 0 HB2 LYS A 681 0.416 6.460 15.674 1.00 0.00 H new ATOM 0 HB3 LYS A 681 0.049 6.328 17.382 1.00 0.00 H new ATOM 0 HG2 LYS A 681 2.517 6.739 17.851 1.00 0.00 H new ATOM 0 HG3 LYS A 681 2.718 7.081 16.144 1.00 0.00 H new ATOM 0 HD2 LYS A 681 0.576 8.686 16.693 1.00 0.00 H new ATOM 0 HD3 LYS A 681 1.363 8.691 18.259 1.00 0.00 H new ATOM 0 HE2 LYS A 681 3.535 9.283 17.060 1.00 0.00 H new ATOM 0 HE3 LYS A 681 2.597 9.482 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 681 2.919 11.586 16.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 681 1.270 11.183 16.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 681 2.180 10.990 18.127 1.00 0.00 H new ATOM 492 N GLN A 682 1.372 2.805 18.117 1.00 0.00 N ATOM 493 CA GLN A 682 1.349 2.124 19.406 1.00 0.00 C ATOM 494 C GLN A 682 -0.019 2.257 20.069 1.00 0.00 C ATOM 495 O GLN A 682 -0.144 2.827 21.153 1.00 0.00 O ATOM 496 CB GLN A 682 2.435 2.689 20.325 1.00 0.00 C ATOM 497 CG GLN A 682 3.840 2.543 19.767 1.00 0.00 C ATOM 498 CD GLN A 682 4.383 3.844 19.207 1.00 0.00 C ATOM 499 OE1 GLN A 682 4.589 4.811 19.940 1.00 0.00 O ATOM 500 NE2 GLN A 682 4.620 3.872 17.900 1.00 0.00 N ATOM 0 H GLN A 682 1.557 2.195 17.321 1.00 0.00 H new ATOM 0 HA GLN A 682 1.545 1.066 19.233 1.00 0.00 H new ATOM 0 HB2 GLN A 682 2.233 3.745 20.506 1.00 0.00 H new ATOM 0 HB3 GLN A 682 2.382 2.184 21.290 1.00 0.00 H new ATOM 0 HG2 GLN A 682 4.504 2.185 20.554 1.00 0.00 H new ATOM 0 HG3 GLN A 682 3.839 1.786 18.982 1.00 0.00 H new ATOM 0 HE21 GLN A 682 4.434 3.047 17.330 1.00 0.00 H new ATOM 0 HE22 GLN A 682 4.988 4.719 17.466 1.00 0.00 H new ATOM 509 N ASN A 683 -1.044 1.727 19.408 1.00 0.00 N ATOM 510 CA ASN A 683 -2.403 1.786 19.932 1.00 0.00 C ATOM 511 C ASN A 683 -2.856 3.232 20.107 1.00 0.00 C ATOM 512 O ASN A 683 -3.956 3.443 20.660 1.00 0.00 O ATOM 513 CB ASN A 683 -2.490 1.047 21.269 1.00 0.00 C ATOM 514 CG ASN A 683 -2.815 -0.424 21.096 1.00 0.00 C ATOM 515 OD1 ASN A 683 -3.530 -0.810 20.171 1.00 0.00 O ATOM 516 ND2 ASN A 683 -2.289 -1.255 21.988 1.00 0.00 N ATOM 517 OXT ASN A 683 -2.108 4.140 19.690 1.00 0.00 O ATOM 0 H ASN A 683 -0.959 1.252 18.509 1.00 0.00 H new ATOM 0 HA ASN A 683 -3.064 1.301 19.213 1.00 0.00 H new ATOM 0 HB2 ASN A 683 -1.543 1.147 21.799 1.00 0.00 H new ATOM 0 HB3 ASN A 683 -3.254 1.514 21.890 1.00 0.00 H new ATOM 0 HD21 ASN A 683 -2.472 -2.256 21.922 1.00 0.00 H new ATOM 0 HD22 ASN A 683 -1.702 -0.892 22.739 1.00 0.00 H new TER 524 ASN A 683 ATOM 525 N ARG B 405 2.390 -20.603 24.607 1.00 0.00 N ATOM 526 CA ARG B 405 2.702 -20.781 23.165 1.00 0.00 C ATOM 527 C ARG B 405 3.105 -19.457 22.519 1.00 0.00 C ATOM 528 O ARG B 405 2.874 -18.387 23.082 1.00 0.00 O ATOM 529 CB ARG B 405 1.466 -21.353 22.466 1.00 0.00 C ATOM 530 CG ARG B 405 1.441 -22.873 22.425 1.00 0.00 C ATOM 531 CD ARG B 405 0.931 -23.457 23.733 1.00 0.00 C ATOM 532 NE ARG B 405 0.572 -24.867 23.598 1.00 0.00 N ATOM 533 CZ ARG B 405 0.426 -25.696 24.630 1.00 0.00 C ATOM 534 NH1 ARG B 405 0.607 -25.261 25.870 1.00 0.00 N ATOM 535 NH2 ARG B 405 0.098 -26.964 24.419 1.00 0.00 N ATOM 0 HA ARG B 405 3.544 -21.466 23.064 1.00 0.00 H new ATOM 0 HB2 ARG B 405 0.572 -20.997 22.977 1.00 0.00 H new ATOM 0 HB3 ARG B 405 1.425 -20.969 21.447 1.00 0.00 H new ATOM 0 HG2 ARG B 405 0.805 -23.206 21.604 1.00 0.00 H new ATOM 0 HG3 ARG B 405 2.444 -23.249 22.224 1.00 0.00 H new ATOM 0 HD2 ARG B 405 1.697 -23.349 24.501 1.00 0.00 H new ATOM 0 HD3 ARG B 405 0.061 -22.892 24.068 1.00 0.00 H new ATOM 0 HE ARG B 405 0.425 -25.238 22.659 1.00 0.00 H new ATOM 0 HH11 ARG B 405 0.859 -24.287 26.037 1.00 0.00 H new ATOM 0 HH12 ARG B 405 0.494 -25.901 26.656 1.00 0.00 H new ATOM 0 HH21 ARG B 405 -0.042 -27.303 23.467 1.00 0.00 H new ATOM 0 HH22 ARG B 405 -0.014 -27.600 25.209 1.00 0.00 H new ATOM 550 N PRO B 406 3.716 -19.514 21.323 1.00 0.00 N ATOM 551 CA PRO B 406 4.151 -18.313 20.601 1.00 0.00 C ATOM 552 C PRO B 406 2.974 -17.493 20.077 1.00 0.00 C ATOM 553 O PRO B 406 2.262 -17.927 19.172 1.00 0.00 O ATOM 554 CB PRO B 406 4.969 -18.876 19.436 1.00 0.00 C ATOM 555 CG PRO B 406 4.430 -20.248 19.223 1.00 0.00 C ATOM 556 CD PRO B 406 4.028 -20.750 20.581 1.00 0.00 C ATOM 0 HA PRO B 406 4.710 -17.632 21.243 1.00 0.00 H new ATOM 0 HB2 PRO B 406 4.857 -18.263 18.541 1.00 0.00 H new ATOM 0 HB3 PRO B 406 6.032 -18.901 19.674 1.00 0.00 H new ATOM 0 HG2 PRO B 406 3.577 -20.231 18.545 1.00 0.00 H new ATOM 0 HG3 PRO B 406 5.182 -20.897 18.774 1.00 0.00 H new ATOM 0 HD2 PRO B 406 3.165 -21.414 20.525 1.00 0.00 H new ATOM 0 HD3 PRO B 406 4.832 -21.312 21.056 1.00 0.00 H new ATOM 564 N PRO B 407 2.751 -16.290 20.639 1.00 0.00 N ATOM 565 CA PRO B 407 1.650 -15.416 20.217 1.00 0.00 C ATOM 566 C PRO B 407 1.710 -15.078 18.727 1.00 0.00 C ATOM 567 O PRO B 407 0.695 -15.135 18.034 1.00 0.00 O ATOM 568 CB PRO B 407 1.840 -14.152 21.062 1.00 0.00 C ATOM 569 CG PRO B 407 2.662 -14.584 22.227 1.00 0.00 C ATOM 570 CD PRO B 407 3.547 -15.689 21.723 1.00 0.00 C ATOM 0 HA PRO B 407 0.681 -15.894 20.361 1.00 0.00 H new ATOM 0 HB2 PRO B 407 2.343 -13.370 20.493 1.00 0.00 H new ATOM 0 HB3 PRO B 407 0.881 -13.746 21.385 1.00 0.00 H new ATOM 0 HG2 PRO B 407 3.255 -13.756 22.615 1.00 0.00 H new ATOM 0 HG3 PRO B 407 2.029 -14.933 23.043 1.00 0.00 H new ATOM 0 HD2 PRO B 407 4.500 -15.307 21.358 1.00 0.00 H new ATOM 0 HD3 PRO B 407 3.773 -16.413 22.506 1.00 0.00 H new ATOM 578 N PRO B 408 2.900 -14.720 18.211 1.00 0.00 N ATOM 579 CA PRO B 408 3.071 -14.374 16.795 1.00 0.00 C ATOM 580 C PRO B 408 2.504 -15.443 15.866 1.00 0.00 C ATOM 581 O PRO B 408 3.094 -16.510 15.698 1.00 0.00 O ATOM 582 CB PRO B 408 4.589 -14.276 16.631 1.00 0.00 C ATOM 583 CG PRO B 408 5.094 -13.937 17.990 1.00 0.00 C ATOM 584 CD PRO B 408 4.170 -14.622 18.958 1.00 0.00 C ATOM 0 HA PRO B 408 2.542 -13.458 16.534 1.00 0.00 H new ATOM 0 HB2 PRO B 408 5.010 -15.216 16.275 1.00 0.00 H new ATOM 0 HB3 PRO B 408 4.860 -13.510 15.905 1.00 0.00 H new ATOM 0 HG2 PRO B 408 6.120 -14.279 18.121 1.00 0.00 H new ATOM 0 HG3 PRO B 408 5.095 -12.859 18.148 1.00 0.00 H new ATOM 0 HD2 PRO B 408 4.545 -15.605 19.244 1.00 0.00 H new ATOM 0 HD3 PRO B 408 4.052 -14.047 19.876 1.00 0.00 H new ATOM 592 N ALA B 409 1.355 -15.149 15.265 1.00 0.00 N ATOM 593 CA ALA B 409 0.709 -16.085 14.354 1.00 0.00 C ATOM 594 C ALA B 409 -0.454 -15.423 13.622 1.00 0.00 C ATOM 595 O ALA B 409 -1.570 -15.364 14.137 1.00 0.00 O ATOM 596 CB ALA B 409 0.229 -17.314 15.112 1.00 0.00 C ATOM 0 H ALA B 409 0.853 -14.270 15.393 1.00 0.00 H new ATOM 0 HA ALA B 409 1.443 -16.396 13.610 1.00 0.00 H new ATOM 0 HB1 ALA B 409 -0.252 -18.004 14.419 1.00 0.00 H new ATOM 0 HB2 ALA B 409 1.080 -17.806 15.583 1.00 0.00 H new ATOM 0 HB3 ALA B 409 -0.486 -17.013 15.878 1.00 0.00 H new ATOM 602 N HIS B 410 -0.185 -14.929 12.419 1.00 0.00 N ATOM 603 CA HIS B 410 -1.210 -14.272 11.616 1.00 0.00 C ATOM 604 C HIS B 410 -0.805 -14.227 10.147 1.00 0.00 C ATOM 605 O HIS B 410 0.177 -13.581 9.782 1.00 0.00 O ATOM 606 CB HIS B 410 -1.459 -12.853 12.131 1.00 0.00 C ATOM 607 CG HIS B 410 -2.883 -12.410 12.000 1.00 0.00 C ATOM 608 ND1 HIS B 410 -3.405 -11.337 12.690 1.00 0.00 N ATOM 609 CD2 HIS B 410 -3.898 -12.901 11.249 1.00 0.00 C ATOM 610 CE1 HIS B 410 -4.679 -11.188 12.372 1.00 0.00 C ATOM 611 NE2 HIS B 410 -5.002 -12.123 11.499 1.00 0.00 N ATOM 0 H HIS B 410 0.734 -14.971 11.978 1.00 0.00 H new ATOM 0 HA HIS B 410 -2.130 -14.850 11.703 1.00 0.00 H new ATOM 0 HB2 HIS B 410 -1.165 -12.799 13.179 1.00 0.00 H new ATOM 0 HB3 HIS B 410 -0.820 -12.160 11.585 1.00 0.00 H new ATOM 0 HD2 HIS B 410 -3.848 -13.746 10.579 1.00 0.00 H new ATOM 0 HE1 HIS B 410 -5.343 -10.430 12.761 1.00 0.00 H new ATOM 0 HE2 HIS B 410 -5.923 -12.248 11.078 1.00 0.00 H new ATOM 620 N HIS B 411 -1.568 -14.919 9.307 1.00 0.00 N ATOM 621 CA HIS B 411 -1.290 -14.959 7.876 1.00 0.00 C ATOM 622 C HIS B 411 -2.282 -14.097 7.103 1.00 0.00 C ATOM 623 O HIS B 411 -3.493 -14.301 7.186 1.00 0.00 O ATOM 624 CB HIS B 411 -1.342 -16.399 7.365 1.00 0.00 C ATOM 625 CG HIS B 411 -0.355 -16.684 6.274 1.00 0.00 C ATOM 626 ND1 HIS B 411 0.862 -17.291 6.500 1.00 0.00 N ATOM 627 CD2 HIS B 411 -0.412 -16.441 4.943 1.00 0.00 C ATOM 628 CE1 HIS B 411 1.513 -17.409 5.355 1.00 0.00 C ATOM 629 NE2 HIS B 411 0.760 -16.901 4.396 1.00 0.00 N ATOM 0 H HIS B 411 -2.384 -15.460 9.593 1.00 0.00 H new ATOM 0 HA HIS B 411 -0.289 -14.560 7.716 1.00 0.00 H new ATOM 0 HB2 HIS B 411 -1.157 -17.078 8.197 1.00 0.00 H new ATOM 0 HB3 HIS B 411 -2.347 -16.610 6.999 1.00 0.00 H new ATOM 0 HD2 HIS B 411 -1.227 -15.973 4.411 1.00 0.00 H new ATOM 0 HE1 HIS B 411 2.492 -17.846 5.226 1.00 0.00 H new ATOM 0 HE2 HIS B 411 1.009 -16.858 3.408 1.00 0.00 H new ATOM 638 N ASN B 412 -1.761 -13.131 6.353 1.00 0.00 N ATOM 639 CA ASN B 412 -2.602 -12.237 5.565 1.00 0.00 C ATOM 640 C ASN B 412 -1.816 -11.631 4.407 1.00 0.00 C ATOM 641 O ASN B 412 -0.613 -11.855 4.275 1.00 0.00 O ATOM 642 CB ASN B 412 -3.169 -11.125 6.449 1.00 0.00 C ATOM 643 CG ASN B 412 -4.381 -11.577 7.240 1.00 0.00 C ATOM 644 OD1 ASN B 412 -4.253 -12.166 8.313 1.00 0.00 O ATOM 645 ND2 ASN B 412 -5.569 -11.303 6.712 1.00 0.00 N ATOM 0 H ASN B 412 -0.761 -12.947 6.274 1.00 0.00 H new ATOM 0 HA ASN B 412 -3.426 -12.821 5.155 1.00 0.00 H new ATOM 0 HB2 ASN B 412 -2.396 -10.782 7.137 1.00 0.00 H new ATOM 0 HB3 ASN B 412 -3.442 -10.273 5.826 1.00 0.00 H new ATOM 0 HD21 ASN B 412 -6.420 -11.583 7.199 1.00 0.00 H new ATOM 0 HD22 ASN B 412 -5.630 -10.813 5.820 1.00 0.00 H new ATOM 652 N MET B 413 -2.504 -10.861 3.571 1.00 0.00 N ATOM 653 CA MET B 413 -1.870 -10.222 2.423 1.00 0.00 C ATOM 654 C MET B 413 -1.548 -8.761 2.724 1.00 0.00 C ATOM 655 O MET B 413 -1.583 -7.912 1.833 1.00 0.00 O ATOM 656 CB MET B 413 -2.779 -10.314 1.196 1.00 0.00 C ATOM 657 CG MET B 413 -3.328 -11.709 0.948 1.00 0.00 C ATOM 658 SD MET B 413 -3.614 -12.042 -0.801 1.00 0.00 S ATOM 659 CE MET B 413 -5.189 -11.226 -1.048 1.00 0.00 C ATOM 0 H MET B 413 -3.500 -10.664 3.666 1.00 0.00 H new ATOM 0 HA MET B 413 -0.937 -10.746 2.215 1.00 0.00 H new ATOM 0 HB2 MET B 413 -3.612 -9.622 1.319 1.00 0.00 H new ATOM 0 HB3 MET B 413 -2.222 -9.990 0.317 1.00 0.00 H new ATOM 0 HG2 MET B 413 -2.630 -12.446 1.345 1.00 0.00 H new ATOM 0 HG3 MET B 413 -4.263 -11.830 1.495 1.00 0.00 H new ATOM 0 HE1 MET B 413 -5.501 -11.344 -2.086 1.00 0.00 H new ATOM 0 HE2 MET B 413 -5.937 -11.672 -0.392 1.00 0.00 H new ATOM 0 HE3 MET B 413 -5.089 -10.165 -0.817 1.00 0.00 H new ATOM 669 N PHE B 414 -1.234 -8.477 3.983 1.00 0.00 N ATOM 670 CA PHE B 414 -0.905 -7.119 4.401 1.00 0.00 C ATOM 671 C PHE B 414 0.180 -7.126 5.476 1.00 0.00 C ATOM 672 O PHE B 414 0.259 -6.211 6.294 1.00 0.00 O ATOM 673 CB PHE B 414 -2.155 -6.408 4.924 1.00 0.00 C ATOM 674 CG PHE B 414 -2.096 -4.911 4.804 1.00 0.00 C ATOM 675 CD1 PHE B 414 -2.541 -4.276 3.654 1.00 0.00 C ATOM 676 CD2 PHE B 414 -1.595 -4.138 5.839 1.00 0.00 C ATOM 677 CE1 PHE B 414 -2.488 -2.902 3.542 1.00 0.00 C ATOM 678 CE2 PHE B 414 -1.538 -2.761 5.730 1.00 0.00 C ATOM 679 CZ PHE B 414 -1.987 -2.143 4.580 1.00 0.00 C ATOM 0 H PHE B 414 -1.200 -9.169 4.732 1.00 0.00 H new ATOM 0 HA PHE B 414 -0.525 -6.580 3.533 1.00 0.00 H new ATOM 0 HB2 PHE B 414 -3.025 -6.773 4.378 1.00 0.00 H new ATOM 0 HB3 PHE B 414 -2.302 -6.674 5.971 1.00 0.00 H new ATOM 0 HD1 PHE B 414 -2.933 -4.864 2.837 1.00 0.00 H new ATOM 0 HD2 PHE B 414 -1.245 -4.617 6.742 1.00 0.00 H new ATOM 0 HE1 PHE B 414 -2.839 -2.420 2.641 1.00 0.00 H new ATOM 0 HE2 PHE B 414 -1.143 -2.170 6.543 1.00 0.00 H new ATOM 0 HZ PHE B 414 -1.946 -1.067 4.493 1.00 0.00 H new ATOM 689 N SER B 415 1.015 -8.162 5.466 1.00 0.00 N ATOM 690 CA SER B 415 2.094 -8.279 6.441 1.00 0.00 C ATOM 691 C SER B 415 3.335 -7.524 5.966 1.00 0.00 C ATOM 692 O SER B 415 3.510 -6.347 6.284 1.00 0.00 O ATOM 693 CB SER B 415 2.427 -9.754 6.691 1.00 0.00 C ATOM 694 OG SER B 415 3.661 -9.888 7.375 1.00 0.00 O ATOM 0 H SER B 415 0.965 -8.929 4.796 1.00 0.00 H new ATOM 0 HA SER B 415 1.761 -7.833 7.378 1.00 0.00 H new ATOM 0 HB2 SER B 415 1.631 -10.216 7.275 1.00 0.00 H new ATOM 0 HB3 SER B 415 2.474 -10.286 5.741 1.00 0.00 H new ATOM 0 HG SER B 415 3.851 -10.838 7.524 1.00 0.00 H new ATOM 700 N VAL B 416 4.193 -8.197 5.200 1.00 0.00 N ATOM 701 CA VAL B 416 5.405 -7.572 4.684 1.00 0.00 C ATOM 702 C VAL B 416 5.869 -8.239 3.388 1.00 0.00 C ATOM 703 O VAL B 416 6.999 -8.722 3.297 1.00 0.00 O ATOM 704 CB VAL B 416 6.554 -7.620 5.714 1.00 0.00 C ATOM 705 CG1 VAL B 416 7.701 -6.723 5.274 1.00 0.00 C ATOM 706 CG2 VAL B 416 6.057 -7.217 7.095 1.00 0.00 C ATOM 0 H VAL B 416 4.070 -9.172 4.925 1.00 0.00 H new ATOM 0 HA VAL B 416 5.154 -6.531 4.482 1.00 0.00 H new ATOM 0 HB VAL B 416 6.921 -8.645 5.771 1.00 0.00 H new ATOM 0 HG11 VAL B 416 8.502 -6.769 6.012 1.00 0.00 H new ATOM 0 HG12 VAL B 416 8.077 -7.061 4.308 1.00 0.00 H new ATOM 0 HG13 VAL B 416 7.347 -5.696 5.187 1.00 0.00 H new ATOM 0 HG21 VAL B 416 6.883 -7.258 7.805 1.00 0.00 H new ATOM 0 HG22 VAL B 416 5.661 -6.202 7.057 1.00 0.00 H new ATOM 0 HG23 VAL B 416 5.271 -7.902 7.413 1.00 0.00 H new ATOM 716 N PRO B 417 5.004 -8.265 2.357 1.00 0.00 N ATOM 717 CA PRO B 417 5.332 -8.864 1.059 1.00 0.00 C ATOM 718 C PRO B 417 6.365 -8.035 0.302 1.00 0.00 C ATOM 719 O PRO B 417 6.433 -6.818 0.473 1.00 0.00 O ATOM 720 CB PRO B 417 3.995 -8.872 0.299 1.00 0.00 C ATOM 721 CG PRO B 417 2.953 -8.526 1.310 1.00 0.00 C ATOM 722 CD PRO B 417 3.644 -7.708 2.360 1.00 0.00 C ATOM 0 HA PRO B 417 5.768 -9.857 1.170 1.00 0.00 H new ATOM 0 HB2 PRO B 417 4.004 -8.149 -0.517 1.00 0.00 H new ATOM 0 HB3 PRO B 417 3.802 -9.849 -0.143 1.00 0.00 H new ATOM 0 HG2 PRO B 417 2.138 -7.964 0.853 1.00 0.00 H new ATOM 0 HG3 PRO B 417 2.516 -9.426 1.743 1.00 0.00 H new ATOM 0 HD2 PRO B 417 3.640 -6.646 2.114 1.00 0.00 H new ATOM 0 HD3 PRO B 417 3.166 -7.811 3.334 1.00 0.00 H new ATOM 730 N PRO B 418 7.187 -8.673 -0.550 1.00 0.00 N ATOM 731 CA PRO B 418 8.206 -7.960 -1.321 1.00 0.00 C ATOM 732 C PRO B 418 7.573 -6.889 -2.204 1.00 0.00 C ATOM 733 O PRO B 418 6.506 -7.104 -2.779 1.00 0.00 O ATOM 734 CB PRO B 418 8.856 -9.055 -2.177 1.00 0.00 C ATOM 735 CG PRO B 418 7.894 -10.197 -2.154 1.00 0.00 C ATOM 736 CD PRO B 418 7.187 -10.115 -0.831 1.00 0.00 C ATOM 0 HA PRO B 418 8.923 -7.440 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO B 418 9.029 -8.707 -3.195 1.00 0.00 H new ATOM 0 HB3 PRO B 418 9.824 -9.348 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO B 418 7.186 -10.128 -2.980 1.00 0.00 H new ATOM 0 HG3 PRO B 418 8.415 -11.149 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO B 418 6.175 -10.516 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO B 418 7.710 -10.678 -0.058 1.00 0.00 H new ATOM 744 N PRO B 419 8.201 -5.705 -2.302 1.00 0.00 N ATOM 745 CA PRO B 419 7.657 -4.600 -3.096 1.00 0.00 C ATOM 746 C PRO B 419 7.722 -4.835 -4.606 1.00 0.00 C ATOM 747 O PRO B 419 8.731 -5.310 -5.127 1.00 0.00 O ATOM 748 CB PRO B 419 8.556 -3.421 -2.720 1.00 0.00 C ATOM 749 CG PRO B 419 9.835 -4.038 -2.267 1.00 0.00 C ATOM 750 CD PRO B 419 9.460 -5.342 -1.626 1.00 0.00 C ATOM 0 HA PRO B 419 6.597 -4.455 -2.885 1.00 0.00 H new ATOM 0 HB2 PRO B 419 8.717 -2.760 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO B 419 8.107 -2.819 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO B 419 10.511 -4.196 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO B 419 10.352 -3.390 -1.560 1.00 0.00 H new ATOM 0 HD2 PRO B 419 10.229 -6.099 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO B 419 9.322 -5.236 -0.550 1.00 0.00 H new ATOM 758 N PRO B 420 6.643 -4.479 -5.333 1.00 0.00 N ATOM 759 CA PRO B 420 6.572 -4.623 -6.787 1.00 0.00 C ATOM 760 C PRO B 420 7.378 -3.549 -7.523 1.00 0.00 C ATOM 761 O PRO B 420 8.299 -3.861 -8.277 1.00 0.00 O ATOM 762 CB PRO B 420 5.075 -4.474 -7.108 1.00 0.00 C ATOM 763 CG PRO B 420 4.378 -4.375 -5.789 1.00 0.00 C ATOM 764 CD PRO B 420 5.405 -3.905 -4.804 1.00 0.00 C ATOM 0 HA PRO B 420 6.995 -5.574 -7.110 1.00 0.00 H new ATOM 0 HB2 PRO B 420 4.892 -3.586 -7.713 1.00 0.00 H new ATOM 0 HB3 PRO B 420 4.711 -5.329 -7.678 1.00 0.00 H new ATOM 0 HG2 PRO B 420 3.543 -3.677 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO B 420 3.968 -5.341 -5.492 1.00 0.00 H new ATOM 0 HD2 PRO B 420 5.451 -2.817 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO B 420 5.192 -4.261 -3.796 1.00 0.00 H new ATOM 772 N ILE B 421 7.010 -2.279 -7.316 1.00 0.00 N ATOM 773 CA ILE B 421 7.691 -1.169 -7.984 1.00 0.00 C ATOM 774 C ILE B 421 8.782 -0.549 -7.107 1.00 0.00 C ATOM 775 O ILE B 421 9.240 -1.164 -6.144 1.00 0.00 O ATOM 776 CB ILE B 421 6.686 -0.083 -8.474 1.00 0.00 C ATOM 777 CG1 ILE B 421 6.387 0.971 -7.381 1.00 0.00 C ATOM 778 CG2 ILE B 421 5.403 -0.741 -8.969 1.00 0.00 C ATOM 779 CD1 ILE B 421 4.911 1.163 -7.063 1.00 0.00 C ATOM 0 H ILE B 421 6.250 -1.998 -6.696 1.00 0.00 H new ATOM 0 HA ILE B 421 8.179 -1.591 -8.862 1.00 0.00 H new ATOM 0 HB ILE B 421 7.151 0.450 -9.303 1.00 0.00 H new ATOM 0 HG12 ILE B 421 6.906 0.683 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE B 421 6.803 1.928 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE B 421 4.708 0.027 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE B 421 5.634 -1.413 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE B 421 4.948 -1.308 -8.157 1.00 0.00 H new ATOM 0 HD11 ILE B 421 4.802 1.920 -6.287 1.00 0.00 H new ATOM 0 HD12 ILE B 421 4.384 1.485 -7.961 1.00 0.00 H new ATOM 0 HD13 ILE B 421 4.489 0.221 -6.713 1.00 0.00 H new ATOM 791 N LEU B 422 9.199 0.669 -7.450 1.00 0.00 N ATOM 792 CA LEU B 422 10.235 1.362 -6.695 1.00 0.00 C ATOM 793 C LEU B 422 10.464 2.760 -7.256 1.00 0.00 C ATOM 794 O LEU B 422 11.596 3.244 -7.304 1.00 0.00 O ATOM 795 CB LEU B 422 11.540 0.564 -6.727 1.00 0.00 C ATOM 796 CG LEU B 422 11.955 0.056 -8.110 1.00 0.00 C ATOM 797 CD1 LEU B 422 12.683 1.146 -8.882 1.00 0.00 C ATOM 798 CD2 LEU B 422 12.828 -1.183 -7.982 1.00 0.00 C ATOM 0 H LEU B 422 8.834 1.193 -8.245 1.00 0.00 H new ATOM 0 HA LEU B 422 9.902 1.453 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU B 422 12.340 1.189 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU B 422 11.442 -0.290 -6.057 1.00 0.00 H new ATOM 0 HG LEU B 422 11.055 -0.213 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU B 422 12.971 0.767 -9.863 1.00 0.00 H new ATOM 0 HD12 LEU B 422 12.025 2.007 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU B 422 13.576 1.446 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU B 422 13.114 -1.531 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU B 422 13.724 -0.939 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU B 422 12.273 -1.968 -7.469 1.00 0.00 H new ATOM 810 N GLY B 423 9.383 3.403 -7.682 1.00 0.00 N ATOM 811 CA GLY B 423 9.484 4.738 -8.237 1.00 0.00 C ATOM 812 C GLY B 423 10.063 5.734 -7.253 1.00 0.00 C ATOM 813 O GLY B 423 9.738 5.705 -6.066 1.00 0.00 O ATOM 0 H GLY B 423 8.437 3.022 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY B 423 10.108 4.710 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY B 423 8.495 5.074 -8.549 1.00 0.00 H new ATOM 817 N ARG B 424 10.925 6.618 -7.746 1.00 0.00 N ATOM 818 CA ARG B 424 11.551 7.628 -6.902 1.00 0.00 C ATOM 819 C ARG B 424 11.949 8.852 -7.721 1.00 0.00 C ATOM 820 O ARG B 424 13.067 8.934 -8.231 1.00 0.00 O ATOM 821 CB ARG B 424 12.782 7.046 -6.203 1.00 0.00 C ATOM 822 CG ARG B 424 13.349 7.949 -5.118 1.00 0.00 C ATOM 823 CD ARG B 424 14.164 9.086 -5.710 1.00 0.00 C ATOM 824 NE ARG B 424 15.121 9.632 -4.750 1.00 0.00 N ATOM 825 CZ ARG B 424 16.286 9.058 -4.457 1.00 0.00 C ATOM 826 NH1 ARG B 424 16.642 7.924 -5.047 1.00 0.00 N ATOM 827 NH2 ARG B 424 17.097 9.621 -3.572 1.00 0.00 N ATOM 0 H ARG B 424 11.205 6.655 -8.726 1.00 0.00 H new ATOM 0 HA ARG B 424 10.825 7.937 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG B 424 12.519 6.084 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG B 424 13.556 6.855 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG B 424 12.534 8.357 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG B 424 13.975 7.363 -4.446 1.00 0.00 H new ATOM 0 HD2 ARG B 424 14.698 8.729 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG B 424 13.493 9.878 -6.043 1.00 0.00 H new ATOM 0 HE ARG B 424 14.883 10.504 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG B 424 16.022 7.487 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG B 424 17.536 7.489 -4.818 1.00 0.00 H new ATOM 0 HH21 ARG B 424 16.828 10.493 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG B 424 17.990 9.182 -3.347 1.00 0.00 H new ATOM 841 N GLY B 425 11.027 9.801 -7.842 1.00 0.00 N ATOM 842 CA GLY B 425 11.300 11.008 -8.600 1.00 0.00 C ATOM 843 C GLY B 425 11.083 10.819 -10.089 1.00 0.00 C ATOM 844 O GLY B 425 12.046 11.015 -10.860 1.00 0.00 O ATOM 845 OXT GLY B 425 9.948 10.476 -10.484 1.00 0.00 O ATOM 0 H GLY B 425 10.096 9.756 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY B 425 10.657 11.812 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY B 425 12.329 11.320 -8.423 1.00 0.00 H new TER 849 GLY B 425