USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 649 GLN :FLIP amide:sc= -0.0529 F(o=-1.4,f=0.55) USER MOD Set 1.2: A 652 LYS NZ :NH3+ -126:sc= 0.604 (180deg=0) USER MOD Single : A 631 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 THR OG1 : rot 180:sc= 0.00219 USER MOD Single : A 635 THR OG1 : rot 101:sc= -2.68! USER MOD Single : A 641 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 658 GLN : amide:sc= -0.0606 X(o=-0.061,f=-0.006) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot -134:sc= 0.304 USER MOD Single : A 667 ASN :FLIP amide:sc= -14.6! C(o=-17!,f=-15!) USER MOD Single : A 668 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.3!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 675 SER OG : rot -130:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 4.272 10.945 -9.070 1.00 0.00 N ATOM 2 CA GLY A 627 3.841 9.533 -9.263 1.00 0.00 C ATOM 3 C GLY A 627 4.101 9.034 -10.670 1.00 0.00 C ATOM 4 O GLY A 627 5.170 9.287 -11.234 1.00 0.00 O ATOM 0 HA2 GLY A 627 4.367 8.896 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 627 2.777 9.448 -9.042 1.00 0.00 H new ATOM 10 N GLY A 628 3.117 8.324 -11.232 1.00 0.00 N ATOM 11 CA GLY A 628 3.241 7.789 -12.580 1.00 0.00 C ATOM 12 C GLY A 628 2.129 6.817 -12.924 1.00 0.00 C ATOM 13 O GLY A 628 1.406 7.019 -13.905 1.00 0.00 O ATOM 0 H GLY A 628 2.232 8.110 -10.772 1.00 0.00 H new ATOM 0 HA2 GLY A 628 3.235 8.611 -13.296 1.00 0.00 H new ATOM 0 HA3 GLY A 628 4.203 7.286 -12.681 1.00 0.00 H new ATOM 17 N ILE A 629 1.998 5.763 -12.112 1.00 0.00 N ATOM 18 CA ILE A 629 0.968 4.739 -12.320 1.00 0.00 C ATOM 19 C ILE A 629 0.338 4.302 -10.996 1.00 0.00 C ATOM 20 O ILE A 629 1.023 3.777 -10.114 1.00 0.00 O ATOM 21 CB ILE A 629 1.510 3.494 -13.087 1.00 0.00 C ATOM 22 CG1 ILE A 629 2.913 3.071 -12.609 1.00 0.00 C ATOM 23 CG2 ILE A 629 1.529 3.771 -14.583 1.00 0.00 C ATOM 24 CD1 ILE A 629 2.901 1.926 -11.620 1.00 0.00 C ATOM 0 H ILE A 629 2.595 5.596 -11.302 1.00 0.00 H new ATOM 0 HA ILE A 629 0.201 5.203 -12.940 1.00 0.00 H new ATOM 0 HB ILE A 629 0.835 2.665 -12.874 1.00 0.00 H new ATOM 0 HG12 ILE A 629 3.511 2.785 -13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 629 3.405 3.929 -12.151 1.00 0.00 H new ATOM 0 HG21 ILE A 629 1.909 2.896 -15.110 1.00 0.00 H new ATOM 0 HG22 ILE A 629 0.518 3.990 -14.925 1.00 0.00 H new ATOM 0 HG23 ILE A 629 2.174 4.626 -14.787 1.00 0.00 H new ATOM 0 HD11 ILE A 629 3.924 1.685 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 629 2.332 2.214 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 629 2.439 1.053 -12.080 1.00 0.00 H new ATOM 36 N ARG A 630 -0.978 4.526 -10.877 1.00 0.00 N ATOM 37 CA ARG A 630 -1.738 4.170 -9.670 1.00 0.00 C ATOM 38 C ARG A 630 -2.238 2.726 -9.758 1.00 0.00 C ATOM 39 O ARG A 630 -3.018 2.387 -10.656 1.00 0.00 O ATOM 40 CB ARG A 630 -2.931 5.123 -9.485 1.00 0.00 C ATOM 41 CG ARG A 630 -2.543 6.588 -9.298 1.00 0.00 C ATOM 42 CD ARG A 630 -3.724 7.521 -9.539 1.00 0.00 C ATOM 43 NE ARG A 630 -4.113 7.579 -10.955 1.00 0.00 N ATOM 44 CZ ARG A 630 -4.884 8.533 -11.497 1.00 0.00 C ATOM 45 NH1 ARG A 630 -5.367 9.530 -10.759 1.00 0.00 N ATOM 46 NH2 ARG A 630 -5.171 8.486 -12.791 1.00 0.00 N ATOM 0 H ARG A 630 -1.543 4.956 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 630 -1.074 4.263 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 630 -3.585 5.041 -10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 630 -3.509 4.799 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 630 -2.162 6.737 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 630 -1.734 6.840 -9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 630 -4.575 7.187 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 630 -3.468 8.523 -9.194 1.00 0.00 H new ATOM 0 HE ARG A 630 -3.772 6.840 -11.570 1.00 0.00 H new ATOM 0 HH11 ARG A 630 -5.152 9.578 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 630 -5.952 10.246 -11.190 1.00 0.00 H new ATOM 0 HH21 ARG A 630 -4.806 7.728 -13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 630 -5.757 9.208 -13.210 1.00 0.00 H new ATOM 60 N LYS A 631 -1.775 1.877 -8.829 1.00 0.00 N ATOM 61 CA LYS A 631 -2.168 0.465 -8.814 1.00 0.00 C ATOM 62 C LYS A 631 -2.464 -0.049 -7.406 1.00 0.00 C ATOM 63 O LYS A 631 -1.656 0.099 -6.486 1.00 0.00 O ATOM 64 CB LYS A 631 -1.078 -0.408 -9.460 1.00 0.00 C ATOM 65 CG LYS A 631 -1.262 -0.648 -10.959 1.00 0.00 C ATOM 66 CD LYS A 631 -0.683 0.486 -11.799 1.00 0.00 C ATOM 67 CE LYS A 631 -0.896 0.250 -13.288 1.00 0.00 C ATOM 68 NZ LYS A 631 -0.004 -0.818 -13.822 1.00 0.00 N ATOM 0 H LYS A 631 -1.132 2.144 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 631 -3.089 0.395 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 631 -0.109 0.063 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 631 -1.053 -1.372 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 631 -0.781 -1.586 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 631 -2.324 -0.756 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 631 -1.149 1.428 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 631 0.383 0.582 -11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 631 -1.936 -0.025 -13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 631 -0.715 1.178 -13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 -0.184 -0.944 -14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 0.989 -0.545 -13.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 -0.194 -1.711 -13.323 1.00 0.00 H new ATOM 82 N THR A 632 -3.644 -0.666 -7.278 1.00 0.00 N ATOM 83 CA THR A 632 -4.136 -1.277 -6.029 1.00 0.00 C ATOM 84 C THR A 632 -3.377 -2.568 -5.702 1.00 0.00 C ATOM 85 O THR A 632 -3.113 -2.880 -4.541 1.00 0.00 O ATOM 86 CB THR A 632 -5.646 -1.591 -6.104 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.949 -2.271 -7.328 1.00 0.00 O ATOM 88 CG2 THR A 632 -6.479 -0.320 -6.002 1.00 0.00 C ATOM 0 H THR A 632 -4.300 -0.759 -8.053 1.00 0.00 H new ATOM 0 HA THR A 632 -3.963 -0.546 -5.239 1.00 0.00 H new ATOM 0 HB THR A 632 -5.897 -2.234 -5.260 1.00 0.00 H new ATOM 0 HG1 THR A 632 -6.909 -2.467 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 632 -7.538 -0.573 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 632 -6.274 0.174 -5.052 1.00 0.00 H new ATOM 0 HG23 THR A 632 -6.222 0.350 -6.823 1.00 0.00 H new ATOM 96 N ARG A 633 -3.062 -3.313 -6.763 1.00 0.00 N ATOM 97 CA ARG A 633 -2.373 -4.612 -6.704 1.00 0.00 C ATOM 98 C ARG A 633 -1.102 -4.639 -5.836 1.00 0.00 C ATOM 99 O ARG A 633 -0.862 -5.631 -5.156 1.00 0.00 O ATOM 100 CB ARG A 633 -2.020 -5.071 -8.122 1.00 0.00 C ATOM 101 CG ARG A 633 -3.207 -5.613 -8.905 1.00 0.00 C ATOM 102 CD ARG A 633 -2.800 -6.049 -10.304 1.00 0.00 C ATOM 103 NE ARG A 633 -3.936 -6.574 -11.068 1.00 0.00 N ATOM 104 CZ ARG A 633 -3.870 -7.004 -12.336 1.00 0.00 C ATOM 105 NH1 ARG A 633 -2.723 -6.982 -13.013 1.00 0.00 N ATOM 106 NH2 ARG A 633 -4.964 -7.460 -12.931 1.00 0.00 N ATOM 0 H ARG A 633 -3.284 -3.025 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 633 -3.078 -5.290 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -1.588 -4.232 -8.668 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -1.252 -5.842 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -3.641 -6.458 -8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -3.980 -4.848 -8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -2.366 -5.202 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -2.026 -6.813 -10.235 1.00 0.00 H new ATOM 0 HE ARG A 633 -4.842 -6.615 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -1.874 -6.634 -12.567 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -2.693 -7.314 -13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -5.849 -7.482 -12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -4.921 -7.789 -13.896 1.00 0.00 H new ATOM 120 N GLU A 634 -0.284 -3.576 -5.840 1.00 0.00 N ATOM 121 CA GLU A 634 0.969 -3.591 -5.091 1.00 0.00 C ATOM 122 C GLU A 634 0.708 -3.487 -3.596 1.00 0.00 C ATOM 123 O GLU A 634 1.321 -4.199 -2.806 1.00 0.00 O ATOM 124 CB GLU A 634 1.899 -2.462 -5.558 1.00 0.00 C ATOM 125 CG GLU A 634 2.453 -2.661 -6.968 1.00 0.00 C ATOM 126 CD GLU A 634 1.524 -2.134 -8.045 1.00 0.00 C ATOM 127 OE1 GLU A 634 0.553 -2.840 -8.390 1.00 0.00 O ATOM 128 OE2 GLU A 634 1.771 -1.017 -8.545 1.00 0.00 O ATOM 0 H GLU A 634 -0.468 -2.710 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 634 1.465 -4.542 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.355 -1.518 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.731 -2.378 -4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.417 -2.159 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 634 2.632 -3.723 -7.137 1.00 0.00 H new ATOM 135 N THR A 635 -0.235 -2.614 -3.230 1.00 0.00 N ATOM 136 CA THR A 635 -0.585 -2.377 -1.833 1.00 0.00 C ATOM 137 C THR A 635 -1.388 -3.516 -1.171 1.00 0.00 C ATOM 138 O THR A 635 -0.938 -4.109 -0.190 1.00 0.00 O ATOM 139 CB THR A 635 -1.305 -1.017 -1.646 1.00 0.00 C ATOM 140 OG1 THR A 635 -1.622 -0.821 -0.268 1.00 0.00 O ATOM 141 CG2 THR A 635 -2.578 -0.867 -2.489 1.00 0.00 C ATOM 0 H THR A 635 -0.773 -2.056 -3.893 1.00 0.00 H new ATOM 0 HA THR A 635 0.371 -2.347 -1.310 1.00 0.00 H new ATOM 0 HB THR A 635 -0.608 -0.255 -1.996 1.00 0.00 H new ATOM 0 HG1 THR A 635 -0.966 -0.215 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 635 -3.024 0.110 -2.303 1.00 0.00 H new ATOM 0 HG22 THR A 635 -2.327 -0.956 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 635 -3.288 -1.648 -2.217 1.00 0.00 H new ATOM 149 N GLU A 636 -2.579 -3.802 -1.698 1.00 0.00 N ATOM 150 CA GLU A 636 -3.447 -4.826 -1.123 1.00 0.00 C ATOM 151 C GLU A 636 -2.965 -6.260 -1.381 1.00 0.00 C ATOM 152 O GLU A 636 -3.025 -7.087 -0.474 1.00 0.00 O ATOM 153 CB GLU A 636 -4.917 -4.586 -1.504 1.00 0.00 C ATOM 154 CG GLU A 636 -5.206 -4.527 -3.004 1.00 0.00 C ATOM 155 CD GLU A 636 -6.673 -4.290 -3.306 1.00 0.00 C ATOM 156 OE1 GLU A 636 -7.074 -3.112 -3.413 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.420 -5.282 -3.435 1.00 0.00 O ATOM 0 H GLU A 636 -2.963 -3.338 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.383 -4.723 -0.040 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.522 -5.380 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -5.243 -3.650 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -4.613 -3.731 -3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.889 -5.461 -3.468 1.00 0.00 H new ATOM 164 N ARG A 637 -2.474 -6.555 -2.597 1.00 0.00 N ATOM 165 CA ARG A 637 -1.969 -7.906 -2.915 1.00 0.00 C ATOM 166 C ARG A 637 -0.718 -8.249 -2.092 1.00 0.00 C ATOM 167 O ARG A 637 -0.583 -9.386 -1.635 1.00 0.00 O ATOM 168 CB ARG A 637 -1.689 -8.082 -4.407 1.00 0.00 C ATOM 169 CG ARG A 637 -2.945 -8.264 -5.245 1.00 0.00 C ATOM 170 CD ARG A 637 -2.608 -8.609 -6.687 1.00 0.00 C ATOM 171 NE ARG A 637 -3.812 -8.772 -7.510 1.00 0.00 N ATOM 172 CZ ARG A 637 -3.816 -9.195 -8.782 1.00 0.00 C ATOM 173 NH1 ARG A 637 -2.682 -9.507 -9.409 1.00 0.00 N ATOM 174 NH2 ARG A 637 -4.966 -9.306 -9.432 1.00 0.00 N ATOM 0 H ARG A 637 -2.415 -5.889 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.762 -8.603 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.143 -7.212 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -1.041 -8.947 -4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -3.559 -9.055 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -3.538 -7.350 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -1.983 -7.823 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -2.024 -9.529 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 637 -4.711 -8.547 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -1.790 -9.426 -8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -2.706 -9.827 -10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -5.841 -9.070 -8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -4.976 -9.627 -10.400 1.00 0.00 H new ATOM 188 N LEU A 638 0.204 -7.266 -1.918 1.00 0.00 N ATOM 189 CA LEU A 638 1.435 -7.464 -1.113 1.00 0.00 C ATOM 190 C LEU A 638 1.079 -7.997 0.273 1.00 0.00 C ATOM 191 O LEU A 638 1.456 -9.096 0.689 1.00 0.00 O ATOM 192 CB LEU A 638 2.203 -6.106 -0.915 1.00 0.00 C ATOM 193 CG LEU A 638 1.792 -5.277 0.359 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.621 -5.640 1.584 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.844 -3.782 0.173 1.00 0.00 C ATOM 0 H LEU A 638 0.117 -6.334 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 638 2.064 -8.173 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.271 -6.317 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 638 2.044 -5.486 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 638 0.751 -5.558 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 638 2.297 -5.039 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 638 2.487 -6.697 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.674 -5.444 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.546 -3.290 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 638 2.859 -3.483 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.164 -3.491 -0.628 1.00 0.00 H new ATOM 207 N ARG A 639 0.330 -7.131 0.939 1.00 0.00 N ATOM 208 CA ARG A 639 -0.114 -7.283 2.313 1.00 0.00 C ATOM 209 C ARG A 639 -1.092 -8.456 2.502 1.00 0.00 C ATOM 210 O ARG A 639 -0.992 -9.178 3.499 1.00 0.00 O ATOM 211 CB ARG A 639 -0.646 -5.911 2.804 1.00 0.00 C ATOM 212 CG ARG A 639 -0.602 -5.735 4.329 1.00 0.00 C ATOM 213 CD ARG A 639 -1.773 -6.413 5.036 1.00 0.00 C ATOM 214 NE ARG A 639 -1.713 -6.237 6.491 1.00 0.00 N ATOM 215 CZ ARG A 639 -2.567 -6.793 7.363 1.00 0.00 C ATOM 216 NH1 ARG A 639 -3.564 -7.573 6.949 1.00 0.00 N ATOM 217 NH2 ARG A 639 -2.418 -6.566 8.661 1.00 0.00 N ATOM 0 H ARG A 639 0.001 -6.264 0.515 1.00 0.00 H new ATOM 0 HA ARG A 639 0.726 -7.566 2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.060 -5.118 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.674 -5.788 2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 639 0.333 -6.144 4.711 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -0.606 -4.671 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -2.710 -6.003 4.660 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -1.773 -7.477 4.799 1.00 0.00 H new ATOM 0 HE ARG A 639 -0.968 -5.650 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -3.688 -7.757 5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -4.203 -7.987 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -1.657 -5.972 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -3.064 -6.986 9.330 1.00 0.00 H new ATOM 231 N ARG A 640 -2.030 -8.648 1.560 1.00 0.00 N ATOM 232 CA ARG A 640 -2.975 -9.780 1.631 1.00 0.00 C ATOM 233 C ARG A 640 -2.231 -11.106 1.405 1.00 0.00 C ATOM 234 O ARG A 640 -2.493 -12.101 2.086 1.00 0.00 O ATOM 235 CB ARG A 640 -4.104 -9.630 0.606 1.00 0.00 C ATOM 236 CG ARG A 640 -5.179 -8.638 1.022 1.00 0.00 C ATOM 237 CD ARG A 640 -6.294 -8.562 -0.009 1.00 0.00 C ATOM 238 NE ARG A 640 -7.359 -7.639 0.398 1.00 0.00 N ATOM 239 CZ ARG A 640 -8.522 -7.483 -0.251 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.797 -8.182 -1.351 1.00 0.00 N ATOM 241 NH2 ARG A 640 -9.416 -6.619 0.209 1.00 0.00 N ATOM 0 H ARG A 640 -2.156 -8.043 0.748 1.00 0.00 H new ATOM 0 HA ARG A 640 -3.421 -9.782 2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -3.679 -9.313 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -4.565 -10.604 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -5.593 -8.931 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.735 -7.651 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.882 -8.240 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -6.715 -9.556 -0.161 1.00 0.00 H new ATOM 0 HE ARG A 640 -7.204 -7.076 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -8.117 -8.850 -1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.687 -8.049 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -9.217 -6.079 1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -10.303 -6.495 -0.279 1.00 0.00 H new ATOM 255 N GLN A 641 -1.302 -11.090 0.437 1.00 0.00 N ATOM 256 CA GLN A 641 -0.475 -12.251 0.109 1.00 0.00 C ATOM 257 C GLN A 641 0.924 -12.066 0.736 1.00 0.00 C ATOM 258 O GLN A 641 1.037 -11.462 1.808 1.00 0.00 O ATOM 259 CB GLN A 641 -0.404 -12.421 -1.420 1.00 0.00 C ATOM 260 CG GLN A 641 -0.213 -13.862 -1.872 1.00 0.00 C ATOM 261 CD GLN A 641 -0.129 -13.993 -3.380 1.00 0.00 C ATOM 262 OE1 GLN A 641 -1.141 -14.168 -4.058 1.00 0.00 O ATOM 263 NE2 GLN A 641 1.085 -13.909 -3.914 1.00 0.00 N ATOM 0 H GLN A 641 -1.107 -10.270 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 641 -0.913 -13.161 0.520 1.00 0.00 H new ATOM 0 HB2 GLN A 641 -1.320 -12.030 -1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 641 0.418 -11.818 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 641 0.697 -14.262 -1.425 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -1.041 -14.467 -1.504 1.00 0.00 H new ATOM 0 HE21 GLN A 641 1.897 -13.763 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 641 1.205 -13.990 -4.924 1.00 0.00 H new ATOM 272 N LEU A 642 1.981 -12.581 0.083 1.00 0.00 N ATOM 273 CA LEU A 642 3.346 -12.453 0.602 1.00 0.00 C ATOM 274 C LEU A 642 4.312 -11.924 -0.468 1.00 0.00 C ATOM 275 O LEU A 642 4.845 -12.690 -1.281 1.00 0.00 O ATOM 276 CB LEU A 642 3.840 -13.802 1.156 1.00 0.00 C ATOM 277 CG LEU A 642 3.125 -14.303 2.418 1.00 0.00 C ATOM 278 CD1 LEU A 642 3.151 -15.823 2.474 1.00 0.00 C ATOM 279 CD2 LEU A 642 3.765 -13.719 3.673 1.00 0.00 C ATOM 0 H LEU A 642 1.913 -13.086 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 642 3.324 -11.726 1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 642 3.733 -14.556 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 642 4.905 -13.717 1.373 1.00 0.00 H new ATOM 0 HG LEU A 642 2.088 -13.970 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 642 2.640 -16.163 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 642 2.647 -16.228 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 642 4.185 -16.169 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 642 3.241 -14.089 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 642 4.812 -14.019 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 642 3.700 -12.631 3.642 1.00 0.00 H new ATOM 291 N LEU A 643 4.508 -10.593 -0.472 1.00 0.00 N ATOM 292 CA LEU A 643 5.417 -9.922 -1.420 1.00 0.00 C ATOM 293 C LEU A 643 5.979 -8.629 -0.817 1.00 0.00 C ATOM 294 O LEU A 643 7.181 -8.368 -0.916 1.00 0.00 O ATOM 295 CB LEU A 643 4.714 -9.610 -2.757 1.00 0.00 C ATOM 296 CG LEU A 643 4.356 -10.826 -3.621 1.00 0.00 C ATOM 297 CD1 LEU A 643 3.135 -10.526 -4.477 1.00 0.00 C ATOM 298 CD2 LEU A 643 5.531 -11.230 -4.503 1.00 0.00 C ATOM 0 H LEU A 643 4.045 -9.956 0.176 1.00 0.00 H new ATOM 0 HA LEU A 643 6.239 -10.610 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 643 3.799 -9.057 -2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 643 5.358 -8.951 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 643 4.124 -11.658 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 643 2.893 -11.398 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 643 2.289 -10.287 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 643 3.347 -9.678 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 643 5.253 -12.094 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 643 5.796 -10.400 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 643 6.386 -11.485 -3.876 1.00 0.00 H new ATOM 310 N GLU A 644 5.093 -7.819 -0.189 1.00 0.00 N ATOM 311 CA GLU A 644 5.460 -6.531 0.455 1.00 0.00 C ATOM 312 C GLU A 644 6.072 -5.537 -0.551 1.00 0.00 C ATOM 313 O GLU A 644 7.227 -5.115 -0.395 1.00 0.00 O ATOM 314 CB GLU A 644 6.413 -6.770 1.655 1.00 0.00 C ATOM 315 CG GLU A 644 5.729 -7.352 2.888 1.00 0.00 C ATOM 316 CD GLU A 644 5.478 -8.846 2.779 1.00 0.00 C ATOM 317 OE1 GLU A 644 6.364 -9.628 3.185 1.00 0.00 O ATOM 318 OE2 GLU A 644 4.397 -9.233 2.289 1.00 0.00 O ATOM 0 H GLU A 644 4.100 -8.040 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 644 4.542 -6.080 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 644 7.210 -7.444 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.883 -5.824 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 644 6.346 -7.156 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.779 -6.840 3.045 1.00 0.00 H new ATOM 325 N VAL A 645 5.298 -5.162 -1.593 1.00 0.00 N ATOM 326 CA VAL A 645 5.871 -4.305 -2.649 1.00 0.00 C ATOM 327 C VAL A 645 6.003 -2.761 -2.343 1.00 0.00 C ATOM 328 O VAL A 645 7.065 -2.337 -1.860 1.00 0.00 O ATOM 329 CB VAL A 645 4.976 -4.557 -3.913 1.00 0.00 C ATOM 330 CG1 VAL A 645 5.233 -3.561 -5.047 1.00 0.00 C ATOM 331 CG2 VAL A 645 5.184 -5.976 -4.436 1.00 0.00 C ATOM 0 H VAL A 645 4.321 -5.425 -1.723 1.00 0.00 H new ATOM 0 HA VAL A 645 6.917 -4.587 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 645 3.946 -4.417 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 645 4.581 -3.793 -5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 645 5.027 -2.550 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 645 6.274 -3.631 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 645 4.557 -6.136 -5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 645 6.230 -6.114 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 645 4.914 -6.693 -3.661 1.00 0.00 H new ATOM 341 N PHE A 646 4.908 -1.949 -2.489 1.00 0.00 N ATOM 342 CA PHE A 646 4.957 -0.496 -2.204 1.00 0.00 C ATOM 343 C PHE A 646 4.726 -0.250 -0.752 1.00 0.00 C ATOM 344 O PHE A 646 5.569 0.259 -0.009 1.00 0.00 O ATOM 345 CB PHE A 646 3.967 0.321 -3.037 1.00 0.00 C ATOM 346 CG PHE A 646 4.577 0.969 -4.249 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.163 2.223 -4.160 1.00 0.00 C ATOM 348 CD2 PHE A 646 4.564 0.327 -5.475 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.724 2.821 -5.272 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.122 0.920 -6.591 1.00 0.00 C ATOM 351 CZ PHE A 646 5.704 2.169 -6.490 1.00 0.00 C ATOM 0 H PHE A 646 3.995 -2.282 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 646 5.954 -0.159 -2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.153 -0.330 -3.356 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.528 1.094 -2.406 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.181 2.738 -3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.112 -0.650 -5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.178 3.797 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 646 5.103 0.408 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.142 2.634 -7.361 1.00 0.00 H new ATOM 361 N TRP A 647 3.503 -0.654 -0.395 1.00 0.00 N ATOM 362 CA TRP A 647 2.969 -0.583 0.914 1.00 0.00 C ATOM 363 C TRP A 647 3.853 -1.485 1.795 1.00 0.00 C ATOM 364 O TRP A 647 4.160 -1.148 2.910 1.00 0.00 O ATOM 365 CB TRP A 647 1.454 -0.962 0.816 1.00 0.00 C ATOM 366 CG TRP A 647 0.664 -0.893 2.109 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.380 -0.054 2.370 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.828 -1.696 3.302 1.00 0.00 C ATOM 369 NE1 TRP A 647 -0.855 -0.258 3.640 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.137 -1.259 4.232 1.00 0.00 C ATOM 371 CE3 TRP A 647 1.693 -2.729 3.682 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -0.259 -1.814 5.504 1.00 0.00 C ATOM 373 CZ3 TRP A 647 1.567 -3.279 4.944 1.00 0.00 C ATOM 374 CH2 TRP A 647 0.598 -2.821 5.841 1.00 0.00 C ATOM 0 H TRP A 647 2.848 -1.055 -1.066 1.00 0.00 H new ATOM 0 HA TRP A 647 2.988 0.402 1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 647 0.981 -0.301 0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.379 -1.975 0.422 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.777 0.670 1.673 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.622 0.256 4.074 1.00 0.00 H new ATOM 0 HE3 TRP A 647 2.448 -3.091 2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.006 -1.460 6.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 2.230 -4.078 5.242 1.00 0.00 H new ATOM 0 HH2 TRP A 647 0.526 -3.273 6.819 1.00 0.00 H new ATOM 385 N GLY A 648 4.300 -2.614 1.231 1.00 0.00 N ATOM 386 CA GLY A 648 5.143 -3.583 1.936 1.00 0.00 C ATOM 387 C GLY A 648 6.443 -3.065 2.526 1.00 0.00 C ATOM 388 O GLY A 648 6.729 -3.363 3.689 1.00 0.00 O ATOM 0 H GLY A 648 4.086 -2.880 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 648 4.555 -4.020 2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 648 5.383 -4.390 1.244 1.00 0.00 H new ATOM 392 N GLN A 649 7.259 -2.339 1.732 1.00 0.00 N ATOM 393 CA GLN A 649 8.552 -1.802 2.228 1.00 0.00 C ATOM 394 C GLN A 649 8.443 -1.237 3.665 1.00 0.00 C ATOM 395 O GLN A 649 7.509 -0.496 3.971 1.00 0.00 O ATOM 396 CB GLN A 649 9.082 -0.738 1.267 1.00 0.00 C ATOM 397 CG GLN A 649 9.857 -1.313 0.093 1.00 0.00 C ATOM 398 CD GLN A 649 10.372 -0.241 -0.846 1.00 0.00 C ATOM 399 OE1 GLN A 649 9.567 0.111 -1.842 1.00 0.00 O flip ATOM 400 NE2 GLN A 649 11.482 0.266 -0.679 1.00 0.00 N flip ATOM 0 H GLN A 649 7.053 -2.112 0.759 1.00 0.00 H new ATOM 0 HA GLN A 649 9.257 -2.632 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.244 -0.153 0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.727 -0.052 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.698 -1.897 0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 649 9.215 -1.998 -0.461 1.00 0.00 H new ATOM 0 HE21 GLN A 649 12.068 -0.035 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 649 11.815 0.986 -1.320 1.00 0.00 H new ATOM 409 N ASP A 650 9.408 -1.641 4.527 1.00 0.00 N ATOM 410 CA ASP A 650 9.499 -1.266 5.974 1.00 0.00 C ATOM 411 C ASP A 650 8.559 -0.104 6.410 1.00 0.00 C ATOM 412 O ASP A 650 7.360 -0.328 6.602 1.00 0.00 O ATOM 413 CB ASP A 650 10.971 -0.967 6.325 1.00 0.00 C ATOM 414 CG ASP A 650 11.275 -1.140 7.804 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.645 -2.263 8.207 1.00 0.00 O ATOM 416 OD2 ASP A 650 11.142 -0.152 8.557 1.00 0.00 O ATOM 0 H ASP A 650 10.169 -2.254 4.234 1.00 0.00 H new ATOM 0 HA ASP A 650 9.139 -2.123 6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 650 11.618 -1.627 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 650 11.210 0.054 6.028 1.00 0.00 H new ATOM 421 N HIS A 651 9.110 1.119 6.571 1.00 0.00 N ATOM 422 CA HIS A 651 8.336 2.320 6.967 1.00 0.00 C ATOM 423 C HIS A 651 7.168 2.568 6.005 1.00 0.00 C ATOM 424 O HIS A 651 6.056 2.894 6.419 1.00 0.00 O ATOM 425 CB HIS A 651 9.246 3.553 7.015 1.00 0.00 C ATOM 426 CG HIS A 651 10.241 3.526 8.136 1.00 0.00 C ATOM 427 ND1 HIS A 651 11.567 3.190 7.957 1.00 0.00 N ATOM 428 CD2 HIS A 651 10.098 3.799 9.455 1.00 0.00 C ATOM 429 CE1 HIS A 651 12.195 3.256 9.118 1.00 0.00 C ATOM 430 NE2 HIS A 651 11.327 3.624 10.041 1.00 0.00 N ATOM 0 H HIS A 651 10.103 1.303 6.431 1.00 0.00 H new ATOM 0 HA HIS A 651 7.928 2.140 7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 651 9.781 3.636 6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 651 8.628 4.446 7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 651 9.187 4.098 9.953 1.00 0.00 H new ATOM 0 HE1 HIS A 651 13.241 3.045 9.283 1.00 0.00 H new ATOM 0 HE2 HIS A 651 11.536 3.757 11.031 1.00 0.00 H new ATOM 439 N LYS A 652 7.462 2.327 4.726 1.00 0.00 N ATOM 440 CA LYS A 652 6.559 2.492 3.578 1.00 0.00 C ATOM 441 C LYS A 652 5.159 1.878 3.755 1.00 0.00 C ATOM 442 O LYS A 652 4.207 2.383 3.160 1.00 0.00 O ATOM 443 CB LYS A 652 7.215 1.965 2.304 1.00 0.00 C ATOM 444 CG LYS A 652 7.949 3.046 1.523 1.00 0.00 C ATOM 445 CD LYS A 652 8.523 2.515 0.220 1.00 0.00 C ATOM 446 CE LYS A 652 9.100 3.634 -0.631 1.00 0.00 C ATOM 447 NZ LYS A 652 9.663 3.124 -1.912 1.00 0.00 N ATOM 0 H LYS A 652 8.384 1.994 4.445 1.00 0.00 H new ATOM 0 HA LYS A 652 6.391 3.566 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.917 1.172 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.452 1.519 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 652 7.265 3.867 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 652 8.754 3.452 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.301 1.782 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 652 7.743 1.997 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 652 8.322 4.367 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 652 9.880 4.150 -0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 10.648 3.444 -2.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 9.634 2.084 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 9.100 3.487 -2.708 1.00 0.00 H new ATOM 461 N VAL A 653 5.035 0.785 4.540 1.00 0.00 N ATOM 462 CA VAL A 653 3.751 0.037 4.673 1.00 0.00 C ATOM 463 C VAL A 653 2.536 0.963 4.861 1.00 0.00 C ATOM 464 O VAL A 653 1.702 1.036 3.977 1.00 0.00 O ATOM 465 CB VAL A 653 3.819 -0.997 5.865 1.00 0.00 C ATOM 466 CG1 VAL A 653 4.691 -2.191 5.510 1.00 0.00 C ATOM 467 CG2 VAL A 653 4.333 -0.372 7.169 1.00 0.00 C ATOM 0 H VAL A 653 5.801 0.397 5.091 1.00 0.00 H new ATOM 0 HA VAL A 653 3.615 -0.498 3.733 1.00 0.00 H new ATOM 0 HB VAL A 653 2.793 -1.325 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 653 4.718 -2.885 6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 653 4.279 -2.696 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 653 5.702 -1.850 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 653 4.358 -1.131 7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 653 5.338 0.021 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.669 0.438 7.470 1.00 0.00 H new ATOM 477 N ASP A 654 2.436 1.645 5.974 1.00 0.00 N ATOM 478 CA ASP A 654 1.402 2.658 6.200 1.00 0.00 C ATOM 479 C ASP A 654 1.789 3.973 5.500 1.00 0.00 C ATOM 480 O ASP A 654 0.949 4.766 5.072 1.00 0.00 O ATOM 481 CB ASP A 654 1.026 2.834 7.671 1.00 0.00 C ATOM 482 CG ASP A 654 2.217 2.981 8.606 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.686 4.123 8.796 1.00 0.00 O ATOM 484 OD2 ASP A 654 2.678 1.953 9.146 1.00 0.00 O ATOM 0 H ASP A 654 3.069 1.521 6.764 1.00 0.00 H new ATOM 0 HA ASP A 654 0.481 2.298 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 654 0.391 3.714 7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 654 0.433 1.976 7.988 1.00 0.00 H new ATOM 489 N PHE A 655 3.117 4.154 5.429 1.00 0.00 N ATOM 490 CA PHE A 655 3.794 5.371 4.963 1.00 0.00 C ATOM 491 C PHE A 655 3.422 5.766 3.562 1.00 0.00 C ATOM 492 O PHE A 655 3.378 6.964 3.265 1.00 0.00 O ATOM 493 CB PHE A 655 5.309 5.263 5.088 1.00 0.00 C ATOM 494 CG PHE A 655 5.890 6.152 6.154 1.00 0.00 C ATOM 495 CD1 PHE A 655 6.013 5.703 7.461 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.313 7.436 5.849 1.00 0.00 C ATOM 497 CE1 PHE A 655 6.547 6.518 8.441 1.00 0.00 C ATOM 498 CE2 PHE A 655 6.848 8.255 6.825 1.00 0.00 C ATOM 499 CZ PHE A 655 6.964 7.796 8.123 1.00 0.00 C ATOM 0 H PHE A 655 3.774 3.425 5.707 1.00 0.00 H new ATOM 0 HA PHE A 655 3.440 6.161 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.575 4.228 5.305 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.763 5.514 4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.688 4.705 7.715 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.223 7.801 4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 655 6.638 6.156 9.454 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.175 9.253 6.573 1.00 0.00 H new ATOM 0 HZ PHE A 655 7.380 8.435 8.888 1.00 0.00 H new ATOM 509 N ILE A 656 3.174 4.770 2.688 1.00 0.00 N ATOM 510 CA ILE A 656 2.857 5.053 1.297 1.00 0.00 C ATOM 511 C ILE A 656 1.865 6.224 1.164 1.00 0.00 C ATOM 512 O ILE A 656 2.244 7.261 0.626 1.00 0.00 O ATOM 513 CB ILE A 656 2.228 3.818 0.539 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.678 2.695 1.441 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.248 3.184 -0.393 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.745 3.154 2.510 1.00 0.00 C ATOM 0 H ILE A 656 3.190 3.779 2.928 1.00 0.00 H new ATOM 0 HA ILE A 656 3.816 5.304 0.843 1.00 0.00 H new ATOM 0 HB ILE A 656 1.383 4.249 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.162 1.966 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.517 2.179 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.795 2.335 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.575 3.919 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.106 2.842 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.410 2.296 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.259 3.859 3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -0.117 3.643 2.056 1.00 0.00 H new ATOM 528 N LEU A 657 0.651 6.127 1.698 1.00 0.00 N ATOM 529 CA LEU A 657 -0.308 7.228 1.544 1.00 0.00 C ATOM 530 C LEU A 657 0.039 8.462 2.402 1.00 0.00 C ATOM 531 O LEU A 657 -0.108 9.593 1.927 1.00 0.00 O ATOM 532 CB LEU A 657 -1.767 6.740 1.743 1.00 0.00 C ATOM 533 CG LEU A 657 -2.708 7.629 2.606 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.191 8.847 1.822 1.00 0.00 C ATOM 535 CD2 LEU A 657 -3.907 6.850 3.122 1.00 0.00 C ATOM 0 H LEU A 657 0.310 5.324 2.227 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.227 7.573 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -2.221 6.626 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.732 5.749 2.195 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.121 7.965 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.847 9.449 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -2.333 9.446 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -3.738 8.518 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -4.538 7.508 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -4.480 6.464 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -3.563 6.019 3.738 1.00 0.00 H new ATOM 547 N GLN A 658 0.483 8.247 3.650 1.00 0.00 N ATOM 548 CA GLN A 658 0.831 9.353 4.570 1.00 0.00 C ATOM 549 C GLN A 658 1.844 10.342 3.954 1.00 0.00 C ATOM 550 O GLN A 658 3.052 10.081 3.912 1.00 0.00 O ATOM 551 CB GLN A 658 1.368 8.796 5.896 1.00 0.00 C ATOM 552 CG GLN A 658 0.295 8.183 6.784 1.00 0.00 C ATOM 553 CD GLN A 658 0.850 7.668 8.098 1.00 0.00 C ATOM 554 OE1 GLN A 658 0.910 8.397 9.088 1.00 0.00 O ATOM 555 NE2 GLN A 658 1.259 6.405 8.112 1.00 0.00 N ATOM 0 H GLN A 658 0.611 7.318 4.050 1.00 0.00 H new ATOM 0 HA GLN A 658 -0.086 9.912 4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.125 8.041 5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 658 1.864 9.598 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 658 -0.474 8.929 6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 658 -0.188 7.363 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 658 1.190 5.837 7.267 1.00 0.00 H new ATOM 0 HE22 GLN A 658 1.642 6.002 8.967 1.00 0.00 H new ATOM 564 N ARG A 659 1.309 11.482 3.458 1.00 0.00 N ATOM 565 CA ARG A 659 2.097 12.575 2.825 1.00 0.00 C ATOM 566 C ARG A 659 3.007 12.068 1.687 1.00 0.00 C ATOM 567 O ARG A 659 4.240 12.110 1.787 1.00 0.00 O ATOM 568 CB ARG A 659 2.916 13.350 3.880 1.00 0.00 C ATOM 569 CG ARG A 659 2.071 14.222 4.800 1.00 0.00 C ATOM 570 CD ARG A 659 2.917 14.900 5.871 1.00 0.00 C ATOM 571 NE ARG A 659 3.739 15.989 5.327 1.00 0.00 N ATOM 572 CZ ARG A 659 4.783 16.546 5.959 1.00 0.00 C ATOM 573 NH1 ARG A 659 5.158 16.132 7.168 1.00 0.00 N ATOM 574 NH2 ARG A 659 5.456 17.526 5.371 1.00 0.00 N ATOM 0 H ARG A 659 0.308 11.675 3.484 1.00 0.00 H new ATOM 0 HA ARG A 659 1.377 13.258 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 659 3.477 12.638 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 659 3.646 13.978 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 659 1.556 14.980 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 659 1.303 13.612 5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 659 2.265 15.295 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 659 3.564 14.160 6.342 1.00 0.00 H new ATOM 0 HE ARG A 659 3.499 16.347 4.403 1.00 0.00 H new ATOM 0 HH11 ARG A 659 4.649 15.379 7.630 1.00 0.00 H new ATOM 0 HH12 ARG A 659 5.955 16.568 7.632 1.00 0.00 H new ATOM 0 HH21 ARG A 659 5.179 17.851 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 659 6.251 17.955 5.845 1.00 0.00 H new ATOM 588 N GLU A 660 2.375 11.582 0.601 1.00 0.00 N ATOM 589 CA GLU A 660 3.093 11.050 -0.573 1.00 0.00 C ATOM 590 C GLU A 660 2.172 10.995 -1.817 1.00 0.00 C ATOM 591 O GLU A 660 0.953 11.123 -1.671 1.00 0.00 O ATOM 592 CB GLU A 660 3.646 9.650 -0.256 1.00 0.00 C ATOM 593 CG GLU A 660 5.087 9.658 0.236 1.00 0.00 C ATOM 594 CD GLU A 660 5.381 8.533 1.210 1.00 0.00 C ATOM 595 OE1 GLU A 660 5.150 8.724 2.422 1.00 0.00 O ATOM 596 OE2 GLU A 660 5.843 7.464 0.762 1.00 0.00 O ATOM 0 H GLU A 660 1.359 11.547 0.513 1.00 0.00 H new ATOM 0 HA GLU A 660 3.921 11.721 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.016 9.183 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.581 9.032 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.759 9.577 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.297 10.613 0.717 1.00 0.00 H new ATOM 603 N PRO A 661 2.738 10.818 -3.071 1.00 0.00 N ATOM 604 CA PRO A 661 1.963 10.741 -4.346 1.00 0.00 C ATOM 605 C PRO A 661 0.689 9.866 -4.300 1.00 0.00 C ATOM 606 O PRO A 661 0.417 9.188 -3.307 1.00 0.00 O ATOM 607 CB PRO A 661 2.978 10.149 -5.352 1.00 0.00 C ATOM 608 CG PRO A 661 4.201 9.818 -4.561 1.00 0.00 C ATOM 609 CD PRO A 661 4.182 10.730 -3.376 1.00 0.00 C ATOM 0 HA PRO A 661 1.577 11.728 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 661 2.574 9.259 -5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 661 3.207 10.865 -6.142 1.00 0.00 H new ATOM 0 HG2 PRO A 661 4.194 8.773 -4.250 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.103 9.968 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 661 4.750 10.323 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 661 4.609 11.706 -3.607 1.00 0.00 H new ATOM 617 N TYR A 662 -0.067 9.886 -5.418 1.00 0.00 N ATOM 618 CA TYR A 662 -1.343 9.153 -5.564 1.00 0.00 C ATOM 619 C TYR A 662 -1.209 7.627 -5.430 1.00 0.00 C ATOM 620 O TYR A 662 -2.056 6.989 -4.797 1.00 0.00 O ATOM 621 CB TYR A 662 -1.987 9.487 -6.912 1.00 0.00 C ATOM 622 CG TYR A 662 -2.458 10.921 -7.029 1.00 0.00 C ATOM 623 CD1 TYR A 662 -1.614 11.912 -7.512 1.00 0.00 C ATOM 624 CD2 TYR A 662 -3.747 11.281 -6.656 1.00 0.00 C ATOM 625 CE1 TYR A 662 -2.040 13.222 -7.620 1.00 0.00 C ATOM 626 CE2 TYR A 662 -4.181 12.589 -6.760 1.00 0.00 C ATOM 627 CZ TYR A 662 -3.324 13.555 -7.243 1.00 0.00 C ATOM 628 OH TYR A 662 -3.752 14.859 -7.348 1.00 0.00 O ATOM 0 H TYR A 662 0.193 10.415 -6.251 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.972 9.484 -4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -1.269 9.285 -7.707 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.836 8.822 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -0.608 11.655 -7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -4.421 10.526 -6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -1.371 13.981 -7.998 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -5.186 12.853 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 662 -4.681 14.924 -7.042 1.00 0.00 H new ATOM 638 N CYS A 663 -0.154 7.046 -6.030 1.00 0.00 N ATOM 639 CA CYS A 663 0.083 5.585 -5.985 1.00 0.00 C ATOM 640 C CYS A 663 0.227 5.079 -4.541 1.00 0.00 C ATOM 641 O CYS A 663 -0.345 4.054 -4.156 1.00 0.00 O ATOM 642 CB CYS A 663 1.338 5.233 -6.791 1.00 0.00 C ATOM 643 SG CYS A 663 1.433 6.046 -8.403 1.00 0.00 S ATOM 0 H CYS A 663 0.551 7.564 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 663 -0.784 5.093 -6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 663 2.219 5.502 -6.208 1.00 0.00 H new ATOM 0 HB3 CYS A 663 1.371 4.153 -6.938 1.00 0.00 H new ATOM 0 HG CYS A 663 1.777 5.178 -9.307 1.00 0.00 H new ATOM 649 N ARG A 664 0.997 5.820 -3.748 1.00 0.00 N ATOM 650 CA ARG A 664 1.226 5.507 -2.346 1.00 0.00 C ATOM 651 C ARG A 664 -0.041 5.852 -1.550 1.00 0.00 C ATOM 652 O ARG A 664 -0.429 5.150 -0.605 1.00 0.00 O ATOM 653 CB ARG A 664 2.481 6.225 -1.823 1.00 0.00 C ATOM 654 CG ARG A 664 3.724 6.007 -2.687 1.00 0.00 C ATOM 655 CD ARG A 664 5.006 6.378 -1.957 1.00 0.00 C ATOM 656 NE ARG A 664 6.199 6.057 -2.749 1.00 0.00 N ATOM 657 CZ ARG A 664 7.458 6.332 -2.379 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.720 6.939 -1.222 1.00 0.00 N ATOM 659 NH2 ARG A 664 8.463 5.995 -3.176 1.00 0.00 N ATOM 0 H ARG A 664 1.481 6.660 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 664 1.421 4.442 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.277 7.294 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 664 2.689 5.880 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 664 3.772 4.962 -2.993 1.00 0.00 H new ATOM 0 HG3 ARG A 664 3.641 6.602 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 664 4.998 7.444 -1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.048 5.848 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 664 6.060 5.591 -3.646 1.00 0.00 H new ATOM 0 HH11 ARG A 664 6.956 7.203 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.685 7.140 -0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 664 8.276 5.530 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 664 9.423 6.201 -2.901 1.00 0.00 H new ATOM 673 N ASP A 665 -0.662 6.968 -1.969 1.00 0.00 N ATOM 674 CA ASP A 665 -1.912 7.490 -1.403 1.00 0.00 C ATOM 675 C ASP A 665 -3.004 6.403 -1.321 1.00 0.00 C ATOM 676 O ASP A 665 -3.724 6.310 -0.326 1.00 0.00 O ATOM 677 CB ASP A 665 -2.409 8.661 -2.260 1.00 0.00 C ATOM 678 CG ASP A 665 -3.329 9.606 -1.503 1.00 0.00 C ATOM 679 OD1 ASP A 665 -2.818 10.570 -0.895 1.00 0.00 O ATOM 680 OD2 ASP A 665 -4.557 9.380 -1.520 1.00 0.00 O ATOM 0 H ASP A 665 -0.298 7.543 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.706 7.828 -0.387 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.551 9.220 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -2.937 8.269 -3.130 1.00 0.00 H new ATOM 685 N ILE A 666 -3.063 5.551 -2.357 1.00 0.00 N ATOM 686 CA ILE A 666 -4.097 4.526 -2.468 1.00 0.00 C ATOM 687 C ILE A 666 -3.750 3.381 -1.557 1.00 0.00 C ATOM 688 O ILE A 666 -4.598 2.733 -0.992 1.00 0.00 O ATOM 689 CB ILE A 666 -4.400 4.051 -3.924 1.00 0.00 C ATOM 690 CG1 ILE A 666 -3.138 3.742 -4.738 1.00 0.00 C ATOM 691 CG2 ILE A 666 -5.236 5.095 -4.647 1.00 0.00 C ATOM 692 CD1 ILE A 666 -2.717 2.294 -4.667 1.00 0.00 C ATOM 0 H ILE A 666 -2.399 5.558 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 666 -5.034 4.984 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 666 -4.953 3.116 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -3.312 4.011 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -2.321 4.368 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -5.443 4.756 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -6.176 5.241 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -4.689 6.037 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -1.818 2.147 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -2.511 2.025 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -3.517 1.663 -5.053 1.00 0.00 H new ATOM 704 N ASN A 667 -2.455 3.131 -1.497 1.00 0.00 N ATOM 705 CA ASN A 667 -1.867 2.064 -0.712 1.00 0.00 C ATOM 706 C ASN A 667 -2.329 1.987 0.779 1.00 0.00 C ATOM 707 O ASN A 667 -2.942 0.982 1.147 1.00 0.00 O ATOM 708 CB ASN A 667 -0.377 2.261 -0.803 1.00 0.00 C ATOM 709 CG ASN A 667 0.270 1.582 -1.988 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.395 0.938 -1.738 1.00 0.00 O flip ATOM 711 ND2 ASN A 667 -0.234 1.626 -3.109 1.00 0.00 N flip ATOM 0 H ASN A 667 -1.765 3.681 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 667 -2.203 1.111 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 667 -0.166 3.329 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.084 1.887 0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 667 -1.105 2.136 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 667 0.219 1.153 -3.891 1.00 0.00 H new ATOM 718 N GLN A 668 -2.060 3.009 1.646 1.00 0.00 N ATOM 719 CA GLN A 668 -2.535 2.942 3.076 1.00 0.00 C ATOM 720 C GLN A 668 -4.041 3.068 3.048 1.00 0.00 C ATOM 721 O GLN A 668 -4.760 2.363 3.760 1.00 0.00 O ATOM 722 CB GLN A 668 -1.940 4.041 4.013 1.00 0.00 C ATOM 723 CG GLN A 668 -1.822 3.673 5.487 1.00 0.00 C ATOM 724 CD GLN A 668 -2.951 4.258 6.318 1.00 0.00 C ATOM 725 OE1 GLN A 668 -4.022 3.667 6.449 1.00 0.00 O ATOM 726 NE2 GLN A 668 -2.713 5.433 6.889 1.00 0.00 N ATOM 0 H GLN A 668 -1.542 3.854 1.403 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.193 1.995 3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -0.949 4.306 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -2.559 4.934 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -1.822 2.588 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -0.867 4.029 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.811 5.891 6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -3.432 5.877 7.460 1.00 0.00 H new ATOM 735 N LEU A 669 -4.486 3.971 2.165 1.00 0.00 N ATOM 736 CA LEU A 669 -5.883 4.263 1.937 1.00 0.00 C ATOM 737 C LEU A 669 -6.677 2.981 1.645 1.00 0.00 C ATOM 738 O LEU A 669 -7.520 2.568 2.440 1.00 0.00 O ATOM 739 CB LEU A 669 -5.938 5.215 0.740 1.00 0.00 C ATOM 740 CG LEU A 669 -6.936 6.381 0.842 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.566 7.482 -0.138 1.00 0.00 C ATOM 742 CD2 LEU A 669 -8.363 5.907 0.577 1.00 0.00 C ATOM 0 H LEU A 669 -3.859 4.525 1.582 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.332 4.713 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.942 5.630 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -6.181 4.633 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.887 6.776 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.282 8.300 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.566 7.850 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.585 7.087 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -9.047 6.752 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -8.425 5.482 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.637 5.149 1.311 1.00 0.00 H new ATOM 754 N SER A 670 -6.325 2.320 0.538 1.00 0.00 N ATOM 755 CA SER A 670 -6.982 1.087 0.107 1.00 0.00 C ATOM 756 C SER A 670 -6.613 -0.115 0.984 1.00 0.00 C ATOM 757 O SER A 670 -7.514 -0.760 1.521 1.00 0.00 O ATOM 758 CB SER A 670 -6.670 0.785 -1.365 1.00 0.00 C ATOM 759 OG SER A 670 -7.490 -0.259 -1.864 1.00 0.00 O ATOM 0 H SER A 670 -5.576 2.627 -0.083 1.00 0.00 H new ATOM 0 HA SER A 670 -8.054 1.252 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 670 -6.820 1.684 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 670 -5.621 0.506 -1.466 1.00 0.00 H new ATOM 0 HG SER A 670 -7.269 -0.428 -2.804 1.00 0.00 H new ATOM 765 N GLU A 671 -5.303 -0.427 1.147 1.00 0.00 N ATOM 766 CA GLU A 671 -4.926 -1.598 1.949 1.00 0.00 C ATOM 767 C GLU A 671 -5.098 -1.380 3.454 1.00 0.00 C ATOM 768 O GLU A 671 -5.920 -2.061 4.075 1.00 0.00 O ATOM 769 CB GLU A 671 -3.488 -2.049 1.650 1.00 0.00 C ATOM 770 CG GLU A 671 -3.207 -3.516 1.990 1.00 0.00 C ATOM 771 CD GLU A 671 -3.217 -3.816 3.480 1.00 0.00 C ATOM 772 OE1 GLU A 671 -2.371 -3.260 4.204 1.00 0.00 O ATOM 773 OE2 GLU A 671 -4.076 -4.609 3.918 1.00 0.00 O ATOM 0 H GLU A 671 -4.524 0.097 0.748 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.618 -2.387 1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.281 -1.887 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.797 -1.419 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -3.952 -4.142 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.236 -3.794 1.580 1.00 0.00 H new ATOM 780 N ALA A 672 -4.327 -0.445 4.044 1.00 0.00 N ATOM 781 CA ALA A 672 -4.410 -0.210 5.499 1.00 0.00 C ATOM 782 C ALA A 672 -5.816 0.135 6.033 1.00 0.00 C ATOM 783 O ALA A 672 -6.189 -0.364 7.098 1.00 0.00 O ATOM 784 CB ALA A 672 -3.417 0.833 5.924 1.00 0.00 C ATOM 0 H ALA A 672 -3.657 0.145 3.551 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.165 -1.171 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.494 0.992 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.409 0.498 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.626 1.768 5.403 1.00 0.00 H new ATOM 790 N LEU A 673 -6.598 0.974 5.319 1.00 0.00 N ATOM 791 CA LEU A 673 -7.942 1.358 5.801 1.00 0.00 C ATOM 792 C LEU A 673 -8.957 0.207 5.691 1.00 0.00 C ATOM 793 O LEU A 673 -9.763 0.007 6.605 1.00 0.00 O ATOM 794 CB LEU A 673 -8.458 2.597 5.055 1.00 0.00 C ATOM 795 CG LEU A 673 -9.474 3.466 5.814 1.00 0.00 C ATOM 796 CD1 LEU A 673 -9.313 4.927 5.426 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.898 3.002 5.536 1.00 0.00 C ATOM 0 H LEU A 673 -6.330 1.390 4.427 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.838 1.599 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.603 3.220 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.915 2.270 4.121 1.00 0.00 H new ATOM 0 HG LEU A 673 -9.281 3.361 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -10.039 5.530 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -8.305 5.260 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -9.479 5.039 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -11.599 3.632 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -11.103 3.075 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -11.013 1.967 5.857 1.00 0.00 H new ATOM 809 N LEU A 674 -8.913 -0.544 4.577 1.00 0.00 N ATOM 810 CA LEU A 674 -9.837 -1.671 4.347 1.00 0.00 C ATOM 811 C LEU A 674 -9.559 -2.845 5.300 1.00 0.00 C ATOM 812 O LEU A 674 -10.494 -3.460 5.821 1.00 0.00 O ATOM 813 CB LEU A 674 -9.747 -2.148 2.890 1.00 0.00 C ATOM 814 CG LEU A 674 -11.015 -2.803 2.323 1.00 0.00 C ATOM 815 CD1 LEU A 674 -11.940 -1.757 1.714 1.00 0.00 C ATOM 816 CD2 LEU A 674 -10.650 -3.858 1.290 1.00 0.00 C ATOM 0 H LEU A 674 -8.247 -0.391 3.820 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.845 -1.310 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -9.490 -1.294 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -8.926 -2.860 2.811 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.545 -3.288 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -12.831 -2.245 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -12.230 -1.037 2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -11.422 -1.239 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -11.559 -4.313 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.096 -3.393 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -10.032 -4.626 1.756 1.00 0.00 H new ATOM 828 N SER A 675 -8.268 -3.141 5.518 1.00 0.00 N ATOM 829 CA SER A 675 -7.838 -4.238 6.400 1.00 0.00 C ATOM 830 C SER A 675 -8.106 -3.927 7.882 1.00 0.00 C ATOM 831 O SER A 675 -8.541 -4.804 8.634 1.00 0.00 O ATOM 832 CB SER A 675 -6.348 -4.527 6.186 1.00 0.00 C ATOM 833 OG SER A 675 -5.954 -5.723 6.841 1.00 0.00 O ATOM 0 H SER A 675 -7.496 -2.630 5.090 1.00 0.00 H new ATOM 0 HA SER A 675 -8.425 -5.119 6.139 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.141 -4.609 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 675 -5.756 -3.692 6.562 1.00 0.00 H new ATOM 0 HG SER A 675 -5.151 -5.553 7.377 1.00 0.00 H new ATOM 839 N LEU A 676 -7.842 -2.673 8.285 1.00 0.00 N ATOM 840 CA LEU A 676 -8.038 -2.223 9.673 1.00 0.00 C ATOM 841 C LEU A 676 -9.528 -2.091 10.033 1.00 0.00 C ATOM 842 O LEU A 676 -9.937 -2.476 11.133 1.00 0.00 O ATOM 843 CB LEU A 676 -7.319 -0.881 9.895 1.00 0.00 C ATOM 844 CG LEU A 676 -6.965 -0.544 11.352 1.00 0.00 C ATOM 845 CD1 LEU A 676 -5.626 -1.157 11.745 1.00 0.00 C ATOM 846 CD2 LEU A 676 -6.940 0.964 11.556 1.00 0.00 C ATOM 0 H LEU A 676 -7.489 -1.947 7.662 1.00 0.00 H new ATOM 0 HA LEU A 676 -7.610 -2.981 10.329 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -6.400 -0.881 9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -7.949 -0.084 9.500 1.00 0.00 H new ATOM 0 HG LEU A 676 -7.734 -0.971 11.996 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -5.400 -0.903 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -5.677 -2.241 11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -4.842 -0.766 11.096 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -6.688 1.187 12.593 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -6.193 1.408 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -7.921 1.379 11.324 1.00 0.00 H new ATOM 858 N ASN A 677 -10.327 -1.546 9.100 1.00 0.00 N ATOM 859 CA ASN A 677 -11.770 -1.350 9.311 1.00 0.00 C ATOM 860 C ASN A 677 -12.535 -2.684 9.278 1.00 0.00 C ATOM 861 O ASN A 677 -13.298 -2.986 10.199 1.00 0.00 O ATOM 862 CB ASN A 677 -12.328 -0.381 8.256 1.00 0.00 C ATOM 863 CG ASN A 677 -13.576 0.348 8.727 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.493 1.425 9.317 1.00 0.00 O ATOM 865 ND2 ASN A 677 -14.738 -0.239 8.467 1.00 0.00 N ATOM 0 H ASN A 677 -9.995 -1.232 8.188 1.00 0.00 H new ATOM 0 HA ASN A 677 -11.910 -0.919 10.302 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -11.561 0.350 7.999 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -12.558 -0.935 7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -15.609 0.203 8.759 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -14.759 -1.132 7.975 1.00 0.00 H new ATOM 872 N PHE A 678 -12.320 -3.473 8.210 1.00 0.00 N ATOM 873 CA PHE A 678 -12.976 -4.779 8.044 1.00 0.00 C ATOM 874 C PHE A 678 -12.397 -5.832 8.997 1.00 0.00 C ATOM 875 O PHE A 678 -11.183 -6.118 8.902 1.00 0.00 O ATOM 876 CB PHE A 678 -12.859 -5.253 6.591 1.00 0.00 C ATOM 877 CG PHE A 678 -13.785 -4.537 5.646 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.403 -3.347 5.045 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.037 -5.056 5.359 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.254 -2.690 4.177 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.892 -4.403 4.492 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.500 -3.219 3.900 1.00 0.00 C ATOM 883 OXT PHE A 678 -13.165 -6.358 9.829 1.00 0.00 O ATOM 0 H PHE A 678 -11.692 -3.225 7.445 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.029 -4.653 8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -11.832 -5.114 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.066 -6.322 6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.430 -2.929 5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.349 -5.982 5.819 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -13.945 -1.764 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.866 -4.818 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.166 -2.707 3.221 1.00 0.00 H new TER 893 PHE A 678