USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 704 TYR OH : rot 138:sc= -1.6! USER MOD Set 1.2: A 721 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 688 SER OG : rot 61:sc= -1.68 USER MOD Single : A 699 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 709 SER OG : rot 180:sc= -0.137 USER MOD Single : A 711 ASN : amide:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : A 714 SER OG : rot 180:sc= 0 USER MOD Single : A 715 ASN :FLIP amide:sc= -0.315 F(o=-2.3!,f=-0.32) USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 723 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 728 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1) USER MOD Single : A 735 MET CE :methyl 142:sc= -4.81! (180deg=-5.52!) USER MOD Single : A 736 LYS NZ :NH3+ -110:sc= -2.67! (180deg=-4.85!) USER MOD Single : A 738 LYS NZ :NH3+ 162:sc= -0.105 (180deg=-0.557) USER MOD Single : A 741 SER OG : rot 80:sc= -1.68 USER MOD Single : A 742 SER OG : rot 180:sc= 0 USER MOD Single : A 745 THR OG1 : rot 180:sc= 0 USER MOD Single : A 747 SER OG : rot 170:sc= -0.989 USER MOD Single : A 748 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 THR OG1 : rot 180:sc= 0 USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 756 MET CE :methyl -163:sc= -4! (180deg=-4.26!) USER MOD Single : A 759 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 686 -6.538 4.408 -10.165 1.00 0.00 N ATOM 9 CA VAL A 686 -5.587 5.326 -10.781 1.00 0.00 C ATOM 10 C VAL A 686 -4.296 5.406 -9.976 1.00 0.00 C ATOM 11 O VAL A 686 -3.224 5.669 -10.521 1.00 0.00 O ATOM 12 CB VAL A 686 -6.184 6.740 -10.927 1.00 0.00 C ATOM 13 CG1 VAL A 686 -5.227 7.652 -11.682 1.00 0.00 C ATOM 14 CG2 VAL A 686 -7.534 6.677 -11.625 1.00 0.00 C ATOM 0 HA VAL A 686 -5.365 4.932 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 686 -6.333 7.156 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 686 -5.667 8.645 -11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 686 -4.285 7.722 -11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 686 -5.042 7.243 -12.675 1.00 0.00 H new ATOM 0 HG21 VAL A 686 -7.942 7.683 -11.720 1.00 0.00 H new ATOM 0 HG22 VAL A 686 -7.411 6.240 -12.616 1.00 0.00 H new ATOM 0 HG23 VAL A 686 -8.218 6.062 -11.040 1.00 0.00 H new ATOM 24 N GLU A 687 -4.408 5.171 -8.677 1.00 0.00 N ATOM 25 CA GLU A 687 -3.251 5.208 -7.788 1.00 0.00 C ATOM 26 C GLU A 687 -2.298 4.065 -8.118 1.00 0.00 C ATOM 27 O GLU A 687 -1.112 4.273 -8.384 1.00 0.00 O ATOM 28 CB GLU A 687 -3.689 5.096 -6.323 1.00 0.00 C ATOM 29 CG GLU A 687 -5.097 5.607 -6.054 1.00 0.00 C ATOM 30 CD GLU A 687 -5.493 5.487 -4.595 1.00 0.00 C ATOM 31 OE1 GLU A 687 -5.257 4.413 -4.002 1.00 0.00 O ATOM 32 OE2 GLU A 687 -6.041 6.466 -4.047 1.00 0.00 O ATOM 0 H GLU A 687 -5.289 4.952 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 687 -2.742 6.161 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 687 -3.628 4.052 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 687 -2.987 5.653 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 687 -5.165 6.651 -6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 687 -5.805 5.048 -6.666 1.00 0.00 H new ATOM 39 N SER A 688 -2.838 2.855 -8.103 1.00 0.00 N ATOM 40 CA SER A 688 -2.064 1.660 -8.397 1.00 0.00 C ATOM 41 C SER A 688 -1.706 1.587 -9.875 1.00 0.00 C ATOM 42 O SER A 688 -0.724 0.952 -10.248 1.00 0.00 O ATOM 43 CB SER A 688 -2.850 0.417 -7.992 1.00 0.00 C ATOM 44 OG SER A 688 -4.165 0.459 -8.514 1.00 0.00 O ATOM 0 H SER A 688 -3.819 2.675 -7.888 1.00 0.00 H new ATOM 0 HA SER A 688 -1.138 1.707 -7.824 1.00 0.00 H new ATOM 0 HB2 SER A 688 -2.339 -0.475 -8.354 1.00 0.00 H new ATOM 0 HB3 SER A 688 -2.888 0.344 -6.905 1.00 0.00 H new ATOM 0 HG SER A 688 -4.128 0.488 -9.493 1.00 0.00 H new ATOM 50 N ALA A 689 -2.518 2.226 -10.714 1.00 0.00 N ATOM 51 CA ALA A 689 -2.286 2.224 -12.155 1.00 0.00 C ATOM 52 C ALA A 689 -0.863 2.658 -12.491 1.00 0.00 C ATOM 53 O ALA A 689 -0.116 1.915 -13.126 1.00 0.00 O ATOM 54 CB ALA A 689 -3.294 3.124 -12.855 1.00 0.00 C ATOM 0 H ALA A 689 -3.342 2.751 -10.420 1.00 0.00 H new ATOM 0 HA ALA A 689 -2.416 1.203 -12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 689 -3.108 3.112 -13.929 1.00 0.00 H new ATOM 0 HB2 ALA A 689 -4.303 2.763 -12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 689 -3.194 4.143 -12.481 1.00 0.00 H new ATOM 60 N VAL A 690 -0.492 3.863 -12.065 1.00 0.00 N ATOM 61 CA VAL A 690 0.848 4.378 -12.319 1.00 0.00 C ATOM 62 C VAL A 690 1.898 3.435 -11.753 1.00 0.00 C ATOM 63 O VAL A 690 2.882 3.099 -12.415 1.00 0.00 O ATOM 64 CB VAL A 690 1.051 5.773 -11.695 1.00 0.00 C ATOM 65 CG1 VAL A 690 0.204 6.811 -12.412 1.00 0.00 C ATOM 66 CG2 VAL A 690 0.730 5.751 -10.207 1.00 0.00 C ATOM 0 H VAL A 690 -1.098 4.497 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 690 0.958 4.456 -13.401 1.00 0.00 H new ATOM 0 HB VAL A 690 2.099 6.048 -11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 690 0.362 7.788 -11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 690 0.490 6.851 -13.463 1.00 0.00 H new ATOM 0 HG13 VAL A 690 -0.849 6.540 -12.332 1.00 0.00 H new ATOM 0 HG21 VAL A 690 0.880 6.746 -9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 690 -0.307 5.449 -10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 690 1.387 5.042 -9.703 1.00 0.00 H new ATOM 76 N LEU A 691 1.673 3.019 -10.517 1.00 0.00 N ATOM 77 CA LEU A 691 2.573 2.113 -9.821 1.00 0.00 C ATOM 78 C LEU A 691 2.772 0.806 -10.583 1.00 0.00 C ATOM 79 O LEU A 691 3.879 0.270 -10.632 1.00 0.00 O ATOM 80 CB LEU A 691 2.019 1.826 -8.433 1.00 0.00 C ATOM 81 CG LEU A 691 2.222 2.949 -7.416 1.00 0.00 C ATOM 82 CD1 LEU A 691 1.327 2.753 -6.204 1.00 0.00 C ATOM 83 CD2 LEU A 691 3.681 3.024 -6.999 1.00 0.00 C ATOM 0 H LEU A 691 0.861 3.300 -9.968 1.00 0.00 H new ATOM 0 HA LEU A 691 3.547 2.596 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 691 0.952 1.621 -8.519 1.00 0.00 H new ATOM 0 HB3 LEU A 691 2.488 0.919 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 691 1.946 3.892 -7.887 1.00 0.00 H new ATOM 0 HD11 LEU A 691 1.491 3.565 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 691 0.283 2.751 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 691 1.564 1.802 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 691 3.812 3.828 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 691 3.980 2.078 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 691 4.300 3.220 -7.874 1.00 0.00 H new ATOM 95 N ARG A 692 1.694 0.299 -11.173 1.00 0.00 N ATOM 96 CA ARG A 692 1.742 -0.946 -11.933 1.00 0.00 C ATOM 97 C ARG A 692 2.181 -2.121 -11.058 1.00 0.00 C ATOM 98 O ARG A 692 2.890 -3.014 -11.524 1.00 0.00 O ATOM 99 CB ARG A 692 2.694 -0.801 -13.124 1.00 0.00 C ATOM 100 CG ARG A 692 2.294 0.296 -14.096 1.00 0.00 C ATOM 101 CD ARG A 692 3.315 0.452 -15.211 1.00 0.00 C ATOM 102 NE ARG A 692 4.627 0.846 -14.702 1.00 0.00 N ATOM 103 CZ ARG A 692 5.680 1.080 -15.479 1.00 0.00 C ATOM 104 NH1 ARG A 692 5.576 0.960 -16.796 1.00 0.00 N ATOM 105 NH2 ARG A 692 6.838 1.435 -14.941 1.00 0.00 N ATOM 0 H ARG A 692 0.772 0.734 -11.139 1.00 0.00 H new ATOM 0 HA ARG A 692 0.735 -1.152 -12.296 1.00 0.00 H new ATOM 0 HB2 ARG A 692 3.698 -0.596 -12.752 1.00 0.00 H new ATOM 0 HB3 ARG A 692 2.739 -1.750 -13.659 1.00 0.00 H new ATOM 0 HG2 ARG A 692 1.318 0.066 -14.524 1.00 0.00 H new ATOM 0 HG3 ARG A 692 2.192 1.239 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 692 3.405 -0.489 -15.754 1.00 0.00 H new ATOM 0 HD3 ARG A 692 2.963 1.199 -15.923 1.00 0.00 H new ATOM 0 HE ARG A 692 4.741 0.947 -13.693 1.00 0.00 H new ATOM 0 HH11 ARG A 692 4.687 0.688 -17.215 1.00 0.00 H new ATOM 0 HH12 ARG A 692 6.385 1.140 -17.390 1.00 0.00 H new ATOM 0 HH21 ARG A 692 6.923 1.529 -13.929 1.00 0.00 H new ATOM 0 HH22 ARG A 692 7.645 1.614 -15.539 1.00 0.00 H new ATOM 119 N GLY A 693 1.753 -2.131 -9.794 1.00 0.00 N ATOM 120 CA GLY A 693 2.129 -3.220 -8.907 1.00 0.00 C ATOM 121 C GLY A 693 1.620 -3.056 -7.482 1.00 0.00 C ATOM 122 O GLY A 693 2.170 -3.653 -6.556 1.00 0.00 O ATOM 0 H GLY A 693 1.161 -1.414 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 693 1.746 -4.156 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 693 3.216 -3.301 -8.887 1.00 0.00 H new ATOM 126 N PHE A 694 0.575 -2.254 -7.297 1.00 0.00 N ATOM 127 CA PHE A 694 0.008 -2.035 -5.970 1.00 0.00 C ATOM 128 C PHE A 694 -1.518 -2.116 -5.999 1.00 0.00 C ATOM 129 O PHE A 694 -2.124 -2.264 -7.059 1.00 0.00 O ATOM 130 CB PHE A 694 0.444 -0.677 -5.418 1.00 0.00 C ATOM 131 CG PHE A 694 1.903 -0.605 -5.063 1.00 0.00 C ATOM 132 CD1 PHE A 694 2.855 -0.378 -6.040 1.00 0.00 C ATOM 133 CD2 PHE A 694 2.321 -0.748 -3.752 1.00 0.00 C ATOM 134 CE1 PHE A 694 4.195 -0.299 -5.719 1.00 0.00 C ATOM 135 CE2 PHE A 694 3.659 -0.671 -3.429 1.00 0.00 C ATOM 136 CZ PHE A 694 4.595 -0.445 -4.413 1.00 0.00 C ATOM 0 H PHE A 694 0.105 -1.747 -8.047 1.00 0.00 H new ATOM 0 HA PHE A 694 0.382 -2.824 -5.317 1.00 0.00 H new ATOM 0 HB2 PHE A 694 0.221 0.093 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 694 -0.148 -0.449 -4.531 1.00 0.00 H new ATOM 0 HD1 PHE A 694 2.546 -0.261 -7.068 1.00 0.00 H new ATOM 0 HD2 PHE A 694 1.592 -0.922 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 694 4.927 -0.123 -6.493 1.00 0.00 H new ATOM 0 HE2 PHE A 694 3.973 -0.788 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 694 5.643 -0.383 -4.158 1.00 0.00 H new ATOM 146 N LEU A 695 -2.125 -2.033 -4.820 1.00 0.00 N ATOM 147 CA LEU A 695 -3.579 -2.086 -4.688 1.00 0.00 C ATOM 148 C LEU A 695 -4.115 -0.762 -4.169 1.00 0.00 C ATOM 149 O LEU A 695 -3.368 0.039 -3.613 1.00 0.00 O ATOM 150 CB LEU A 695 -3.989 -3.198 -3.730 1.00 0.00 C ATOM 151 CG LEU A 695 -4.135 -4.589 -4.345 1.00 0.00 C ATOM 152 CD1 LEU A 695 -4.484 -5.597 -3.267 1.00 0.00 C ATOM 153 CD2 LEU A 695 -5.199 -4.586 -5.432 1.00 0.00 C ATOM 0 H LEU A 695 -1.629 -1.928 -3.935 1.00 0.00 H new ATOM 0 HA LEU A 695 -3.998 -2.285 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 695 -3.251 -3.252 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 695 -4.939 -2.924 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 695 -3.185 -4.871 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 695 -4.586 -6.586 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 695 -3.693 -5.617 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 695 -5.424 -5.313 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 695 -5.288 -5.586 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 695 -6.156 -4.288 -5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 695 -4.917 -3.882 -6.215 1.00 0.00 H new ATOM 165 N ILE A 696 -5.415 -0.542 -4.326 1.00 0.00 N ATOM 166 CA ILE A 696 -6.024 0.697 -3.870 1.00 0.00 C ATOM 167 C ILE A 696 -6.504 0.583 -2.427 1.00 0.00 C ATOM 168 O ILE A 696 -7.548 -0.007 -2.154 1.00 0.00 O ATOM 169 CB ILE A 696 -7.213 1.105 -4.768 1.00 0.00 C ATOM 170 CG1 ILE A 696 -6.768 1.191 -6.230 1.00 0.00 C ATOM 171 CG2 ILE A 696 -7.807 2.434 -4.311 1.00 0.00 C ATOM 172 CD1 ILE A 696 -5.703 2.237 -6.481 1.00 0.00 C ATOM 0 H ILE A 696 -6.061 -1.200 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 696 -5.253 1.465 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 696 -7.986 0.341 -4.682 1.00 0.00 H new ATOM 0 HG12 ILE A 696 -6.390 0.218 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 696 -7.635 1.412 -6.852 1.00 0.00 H new ATOM 0 HG21 ILE A 696 -8.643 2.701 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 696 -8.159 2.341 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 696 -7.044 3.211 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 696 -5.438 2.240 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 696 -6.084 3.219 -6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 696 -4.819 2.006 -5.886 1.00 0.00 H new ATOM 184 N LEU A 697 -5.736 1.169 -1.509 1.00 0.00 N ATOM 185 CA LEU A 697 -6.083 1.147 -0.095 1.00 0.00 C ATOM 186 C LEU A 697 -6.946 2.358 0.235 1.00 0.00 C ATOM 187 O LEU A 697 -8.158 2.334 0.023 1.00 0.00 O ATOM 188 CB LEU A 697 -4.811 1.116 0.766 1.00 0.00 C ATOM 189 CG LEU A 697 -4.952 0.488 2.157 1.00 0.00 C ATOM 190 CD1 LEU A 697 -5.796 1.368 3.060 1.00 0.00 C ATOM 191 CD2 LEU A 697 -5.545 -0.911 2.067 1.00 0.00 C ATOM 0 H LEU A 697 -4.870 1.664 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 697 -6.654 0.245 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 697 -4.041 0.571 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 697 -4.453 2.139 0.886 1.00 0.00 H new ATOM 0 HG LEU A 697 -3.955 0.406 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 697 -5.883 0.904 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 697 -5.323 2.345 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 697 -6.789 1.489 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 697 -5.634 -1.333 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 697 -6.531 -0.859 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 697 -4.895 -1.544 1.463 1.00 0.00 H new ATOM 203 N GLY A 698 -6.331 3.421 0.741 1.00 0.00 N ATOM 204 CA GLY A 698 -7.097 4.618 1.053 1.00 0.00 C ATOM 205 C GLY A 698 -6.337 5.644 1.869 1.00 0.00 C ATOM 206 O GLY A 698 -5.138 5.510 2.095 1.00 0.00 O ATOM 0 H GLY A 698 -5.332 3.479 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 698 -7.424 5.080 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 698 -7.996 4.329 1.598 1.00 0.00 H new ATOM 210 N LYS A 699 -7.054 6.680 2.303 1.00 0.00 N ATOM 211 CA LYS A 699 -6.469 7.750 3.105 1.00 0.00 C ATOM 212 C LYS A 699 -6.770 7.533 4.580 1.00 0.00 C ATOM 213 O LYS A 699 -7.531 8.278 5.197 1.00 0.00 O ATOM 214 CB LYS A 699 -7.007 9.109 2.653 1.00 0.00 C ATOM 215 CG LYS A 699 -8.517 9.135 2.475 1.00 0.00 C ATOM 216 CD LYS A 699 -8.991 10.468 1.919 1.00 0.00 C ATOM 217 CE LYS A 699 -8.534 10.666 0.482 1.00 0.00 C ATOM 218 NZ LYS A 699 -8.993 11.969 -0.074 1.00 0.00 N ATOM 0 H LYS A 699 -8.048 6.800 2.110 1.00 0.00 H new ATOM 0 HA LYS A 699 -5.388 7.736 2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 699 -6.722 9.865 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 699 -6.533 9.383 1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 699 -8.819 8.332 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 699 -9.000 8.947 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 699 -10.079 10.517 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 699 -8.608 11.279 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 699 -7.446 10.616 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 699 -8.916 9.853 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 -8.660 12.064 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 -10.032 12.008 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 -8.607 12.746 0.499 1.00 0.00 H new ATOM 232 N GLU A 700 -6.162 6.496 5.130 1.00 0.00 N ATOM 233 CA GLU A 700 -6.349 6.137 6.526 1.00 0.00 C ATOM 234 C GLU A 700 -5.142 5.375 7.029 1.00 0.00 C ATOM 235 O GLU A 700 -4.091 5.392 6.403 1.00 0.00 O ATOM 236 CB GLU A 700 -7.605 5.290 6.711 1.00 0.00 C ATOM 237 CG GLU A 700 -7.601 4.014 5.885 1.00 0.00 C ATOM 238 CD GLU A 700 -8.766 3.103 6.217 1.00 0.00 C ATOM 239 OE1 GLU A 700 -9.847 3.277 5.616 1.00 0.00 O ATOM 240 OE2 GLU A 700 -8.598 2.214 7.078 1.00 0.00 O ATOM 0 H GLU A 700 -5.526 5.880 4.623 1.00 0.00 H new ATOM 0 HA GLU A 700 -6.466 7.056 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 700 -7.708 5.031 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 700 -8.478 5.885 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 700 -7.635 4.271 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 700 -6.666 3.479 6.053 1.00 0.00 H new ATOM 247 N ASP A 701 -5.269 4.764 8.191 1.00 0.00 N ATOM 248 CA ASP A 701 -4.173 3.982 8.740 1.00 0.00 C ATOM 249 C ASP A 701 -2.914 4.836 8.834 1.00 0.00 C ATOM 250 O ASP A 701 -1.818 4.401 8.478 1.00 0.00 O ATOM 251 CB ASP A 701 -3.936 2.750 7.855 1.00 0.00 C ATOM 252 CG ASP A 701 -3.097 1.689 8.542 1.00 0.00 C ATOM 253 OD1 ASP A 701 -2.200 2.055 9.331 1.00 0.00 O ATOM 254 OD2 ASP A 701 -3.344 0.489 8.297 1.00 0.00 O ATOM 0 H ASP A 701 -6.109 4.791 8.769 1.00 0.00 H new ATOM 0 HA ASP A 701 -4.428 3.649 9.746 1.00 0.00 H new ATOM 0 HB2 ASP A 701 -4.897 2.321 7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 701 -3.441 3.059 6.934 1.00 0.00 H new ATOM 259 N ARG A 702 -3.089 6.062 9.314 1.00 0.00 N ATOM 260 CA ARG A 702 -1.980 6.993 9.463 1.00 0.00 C ATOM 261 C ARG A 702 -0.976 6.470 10.484 1.00 0.00 C ATOM 262 O ARG A 702 0.101 7.039 10.659 1.00 0.00 O ATOM 263 CB ARG A 702 -2.494 8.373 9.882 1.00 0.00 C ATOM 264 CG ARG A 702 -3.334 9.066 8.818 1.00 0.00 C ATOM 265 CD ARG A 702 -4.750 8.509 8.758 1.00 0.00 C ATOM 266 NE ARG A 702 -5.456 8.678 10.025 1.00 0.00 N ATOM 267 CZ ARG A 702 -6.773 8.835 10.122 1.00 0.00 C ATOM 268 NH1 ARG A 702 -7.527 8.841 9.030 1.00 0.00 N ATOM 269 NH2 ARG A 702 -7.337 8.984 11.313 1.00 0.00 N ATOM 0 H ARG A 702 -3.992 6.434 9.607 1.00 0.00 H new ATOM 0 HA ARG A 702 -1.477 7.086 8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 702 -3.088 8.269 10.790 1.00 0.00 H new ATOM 0 HB3 ARG A 702 -1.643 9.007 10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 702 -3.373 10.135 9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 702 -2.856 8.948 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 702 -5.304 9.010 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 702 -4.713 7.450 8.501 1.00 0.00 H new ATOM 0 HE ARG A 702 -4.908 8.675 10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 702 -7.097 8.725 8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 702 -8.537 8.962 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 702 -6.761 8.978 12.155 1.00 0.00 H new ATOM 0 HH22 ARG A 702 -8.347 9.104 11.387 1.00 0.00 H new ATOM 283 N ARG A 703 -1.344 5.383 11.161 1.00 0.00 N ATOM 284 CA ARG A 703 -0.476 4.769 12.158 1.00 0.00 C ATOM 285 C ARG A 703 0.868 4.402 11.538 1.00 0.00 C ATOM 286 O ARG A 703 1.873 4.269 12.239 1.00 0.00 O ATOM 287 CB ARG A 703 -1.143 3.523 12.745 1.00 0.00 C ATOM 288 CG ARG A 703 -0.343 2.871 13.860 1.00 0.00 C ATOM 289 CD ARG A 703 -1.010 1.597 14.355 1.00 0.00 C ATOM 290 NE ARG A 703 -0.257 0.971 15.438 1.00 0.00 N ATOM 291 CZ ARG A 703 -0.726 -0.020 16.191 1.00 0.00 C ATOM 292 NH1 ARG A 703 -1.946 -0.498 15.982 1.00 0.00 N ATOM 293 NH2 ARG A 703 0.026 -0.534 17.154 1.00 0.00 N ATOM 0 H ARG A 703 -2.239 4.911 11.035 1.00 0.00 H new ATOM 0 HA ARG A 703 -0.306 5.488 12.960 1.00 0.00 H new ATOM 0 HB2 ARG A 703 -2.127 3.794 13.127 1.00 0.00 H new ATOM 0 HB3 ARG A 703 -1.299 2.796 11.948 1.00 0.00 H new ATOM 0 HG2 ARG A 703 0.661 2.642 13.503 1.00 0.00 H new ATOM 0 HG3 ARG A 703 -0.234 3.571 14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 703 -2.018 1.826 14.700 1.00 0.00 H new ATOM 0 HD3 ARG A 703 -1.108 0.894 13.528 1.00 0.00 H new ATOM 0 HE ARG A 703 0.685 1.314 15.628 1.00 0.00 H new ATOM 0 HH11 ARG A 703 -2.528 -0.105 15.242 1.00 0.00 H new ATOM 0 HH12 ARG A 703 -2.302 -1.258 16.562 1.00 0.00 H new ATOM 0 HH21 ARG A 703 0.964 -0.170 17.318 1.00 0.00 H new ATOM 0 HH22 ARG A 703 -0.334 -1.294 17.731 1.00 0.00 H new ATOM 307 N TYR A 704 0.878 4.242 10.216 1.00 0.00 N ATOM 308 CA TYR A 704 2.096 3.897 9.495 1.00 0.00 C ATOM 309 C TYR A 704 3.062 5.078 9.483 1.00 0.00 C ATOM 310 O TYR A 704 4.275 4.904 9.611 1.00 0.00 O ATOM 311 CB TYR A 704 1.764 3.498 8.053 1.00 0.00 C ATOM 312 CG TYR A 704 1.189 2.105 7.908 1.00 0.00 C ATOM 313 CD1 TYR A 704 1.839 1.009 8.458 1.00 0.00 C ATOM 314 CD2 TYR A 704 0.011 1.885 7.204 1.00 0.00 C ATOM 315 CE1 TYR A 704 1.330 -0.266 8.317 1.00 0.00 C ATOM 316 CE2 TYR A 704 -0.503 0.615 7.057 1.00 0.00 C ATOM 317 CZ TYR A 704 0.158 -0.460 7.615 1.00 0.00 C ATOM 318 OH TYR A 704 -0.351 -1.729 7.471 1.00 0.00 O ATOM 0 H TYR A 704 0.054 4.346 9.624 1.00 0.00 H new ATOM 0 HA TYR A 704 2.566 3.056 10.004 1.00 0.00 H new ATOM 0 HB2 TYR A 704 1.053 4.216 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 704 2.670 3.569 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 704 2.758 1.156 9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 704 -0.510 2.723 6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 704 1.846 -1.108 8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 704 -1.420 0.462 6.507 1.00 0.00 H new ATOM 0 HH TYR A 704 -1.323 -1.708 7.598 1.00 0.00 H new ATOM 328 N GLY A 705 2.506 6.279 9.336 1.00 0.00 N ATOM 329 CA GLY A 705 3.306 7.492 9.308 1.00 0.00 C ATOM 330 C GLY A 705 4.550 7.389 8.436 1.00 0.00 C ATOM 331 O GLY A 705 5.644 7.728 8.889 1.00 0.00 O ATOM 0 H GLY A 705 1.503 6.433 9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 705 2.689 8.315 8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 705 3.607 7.741 10.326 1.00 0.00 H new ATOM 335 N PRO A 706 4.424 6.924 7.177 1.00 0.00 N ATOM 336 CA PRO A 706 5.552 6.802 6.266 1.00 0.00 C ATOM 337 C PRO A 706 5.732 8.046 5.404 1.00 0.00 C ATOM 338 O PRO A 706 6.723 8.764 5.537 1.00 0.00 O ATOM 339 CB PRO A 706 5.161 5.599 5.414 1.00 0.00 C ATOM 340 CG PRO A 706 3.662 5.592 5.396 1.00 0.00 C ATOM 341 CD PRO A 706 3.183 6.463 6.538 1.00 0.00 C ATOM 0 HA PRO A 706 6.504 6.686 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 706 5.565 5.684 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 706 5.553 4.674 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 706 3.289 5.971 4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 706 3.283 4.576 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 706 2.584 7.300 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 706 2.560 5.902 7.234 1.00 0.00 H new ATOM 349 N ALA A 707 4.769 8.292 4.519 1.00 0.00 N ATOM 350 CA ALA A 707 4.810 9.458 3.648 1.00 0.00 C ATOM 351 C ALA A 707 6.073 9.477 2.791 1.00 0.00 C ATOM 352 O ALA A 707 6.677 10.532 2.587 1.00 0.00 O ATOM 353 CB ALA A 707 4.717 10.721 4.487 1.00 0.00 C ATOM 0 H ALA A 707 3.951 7.697 4.388 1.00 0.00 H new ATOM 0 HA ALA A 707 3.959 9.408 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 707 4.748 11.594 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 707 3.781 10.718 5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 707 5.555 10.758 5.183 1.00 0.00 H new ATOM 359 N LEU A 708 6.466 8.312 2.283 1.00 0.00 N ATOM 360 CA LEU A 708 7.658 8.214 1.447 1.00 0.00 C ATOM 361 C LEU A 708 7.309 8.372 -0.030 1.00 0.00 C ATOM 362 O LEU A 708 6.199 8.776 -0.378 1.00 0.00 O ATOM 363 CB LEU A 708 8.387 6.887 1.685 1.00 0.00 C ATOM 364 CG LEU A 708 7.496 5.647 1.813 1.00 0.00 C ATOM 365 CD1 LEU A 708 6.685 5.429 0.547 1.00 0.00 C ATOM 366 CD2 LEU A 708 8.347 4.425 2.111 1.00 0.00 C ATOM 0 H LEU A 708 5.980 7.428 2.434 1.00 0.00 H new ATOM 0 HA LEU A 708 8.326 9.028 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 708 9.085 6.726 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 708 8.981 6.979 2.594 1.00 0.00 H new ATOM 0 HG LEU A 708 6.801 5.806 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 708 6.061 4.543 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 708 6.052 6.298 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 708 7.360 5.290 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 708 7.706 3.548 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 708 9.060 4.272 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 708 8.887 4.577 3.046 1.00 0.00 H new ATOM 378 N SER A 709 8.267 8.051 -0.894 1.00 0.00 N ATOM 379 CA SER A 709 8.067 8.162 -2.332 1.00 0.00 C ATOM 380 C SER A 709 7.840 6.791 -2.964 1.00 0.00 C ATOM 381 O SER A 709 8.037 5.759 -2.325 1.00 0.00 O ATOM 382 CB SER A 709 9.275 8.839 -2.979 1.00 0.00 C ATOM 383 OG SER A 709 9.048 9.085 -4.356 1.00 0.00 O ATOM 0 H SER A 709 9.190 7.712 -0.622 1.00 0.00 H new ATOM 0 HA SER A 709 7.178 8.769 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 709 9.485 9.779 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 709 10.156 8.208 -2.860 1.00 0.00 H new ATOM 0 HG SER A 709 9.835 9.520 -4.745 1.00 0.00 H new ATOM 389 N ILE A 710 7.426 6.796 -4.226 1.00 0.00 N ATOM 390 CA ILE A 710 7.165 5.562 -4.959 1.00 0.00 C ATOM 391 C ILE A 710 8.445 4.774 -5.185 1.00 0.00 C ATOM 392 O ILE A 710 8.461 3.548 -5.073 1.00 0.00 O ATOM 393 CB ILE A 710 6.509 5.853 -6.326 1.00 0.00 C ATOM 394 CG1 ILE A 710 5.010 6.100 -6.161 1.00 0.00 C ATOM 395 CG2 ILE A 710 6.758 4.707 -7.296 1.00 0.00 C ATOM 396 CD1 ILE A 710 4.675 7.202 -5.178 1.00 0.00 C ATOM 0 H ILE A 710 7.263 7.646 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 710 6.482 4.971 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 710 6.963 6.755 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 710 4.584 6.351 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 710 4.533 5.176 -5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 710 6.288 4.932 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 710 7.831 4.579 -7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 710 6.334 3.788 -6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 710 3.593 7.317 -5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 710 5.070 6.945 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 710 5.121 8.138 -5.515 1.00 0.00 H new ATOM 408 N ASN A 711 9.512 5.483 -5.520 1.00 0.00 N ATOM 409 CA ASN A 711 10.795 4.850 -5.767 1.00 0.00 C ATOM 410 C ASN A 711 11.201 3.982 -4.580 1.00 0.00 C ATOM 411 O ASN A 711 12.037 3.087 -4.703 1.00 0.00 O ATOM 412 CB ASN A 711 11.862 5.909 -6.042 1.00 0.00 C ATOM 413 CG ASN A 711 13.234 5.308 -6.269 1.00 0.00 C ATOM 414 OD1 ASN A 711 13.361 4.195 -6.780 1.00 0.00 O ATOM 415 ND2 ASN A 711 14.273 6.042 -5.888 1.00 0.00 N ATOM 0 H ASN A 711 9.513 6.497 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 711 10.703 4.210 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 711 11.574 6.490 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 711 11.907 6.601 -5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 711 15.221 5.688 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 711 14.123 6.960 -5.469 1.00 0.00 H new ATOM 422 N GLU A 712 10.594 4.261 -3.432 1.00 0.00 N ATOM 423 CA GLU A 712 10.874 3.517 -2.207 1.00 0.00 C ATOM 424 C GLU A 712 9.809 2.449 -1.994 1.00 0.00 C ATOM 425 O GLU A 712 10.037 1.444 -1.322 1.00 0.00 O ATOM 426 CB GLU A 712 10.901 4.464 -1.007 1.00 0.00 C ATOM 427 CG GLU A 712 11.259 5.894 -1.372 1.00 0.00 C ATOM 428 CD GLU A 712 12.685 6.030 -1.870 1.00 0.00 C ATOM 429 OE1 GLU A 712 13.588 6.235 -1.033 1.00 0.00 O ATOM 430 OE2 GLU A 712 12.898 5.933 -3.097 1.00 0.00 O ATOM 0 H GLU A 712 9.901 5.001 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 712 11.849 3.039 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 712 9.924 4.454 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 712 11.620 4.093 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 712 10.574 6.251 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 712 11.120 6.533 -0.500 1.00 0.00 H new ATOM 437 N LEU A 713 8.639 2.696 -2.571 1.00 0.00 N ATOM 438 CA LEU A 713 7.506 1.780 -2.477 1.00 0.00 C ATOM 439 C LEU A 713 7.888 0.367 -2.913 1.00 0.00 C ATOM 440 O LEU A 713 7.332 -0.612 -2.419 1.00 0.00 O ATOM 441 CB LEU A 713 6.362 2.297 -3.353 1.00 0.00 C ATOM 442 CG LEU A 713 5.024 2.526 -2.646 1.00 0.00 C ATOM 443 CD1 LEU A 713 5.214 3.293 -1.352 1.00 0.00 C ATOM 444 CD2 LEU A 713 4.082 3.287 -3.558 1.00 0.00 C ATOM 0 H LEU A 713 8.448 3.536 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 713 7.191 1.735 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 713 6.675 3.237 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 713 6.204 1.587 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 713 4.595 1.553 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 713 4.247 3.441 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 713 5.867 2.728 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 713 5.665 4.262 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 713 3.132 3.446 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 713 4.523 4.251 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 713 3.913 2.712 -4.468 1.00 0.00 H new ATOM 456 N SER A 714 8.833 0.267 -3.841 1.00 0.00 N ATOM 457 CA SER A 714 9.273 -1.032 -4.340 1.00 0.00 C ATOM 458 C SER A 714 10.085 -1.783 -3.287 1.00 0.00 C ATOM 459 O SER A 714 10.173 -3.011 -3.320 1.00 0.00 O ATOM 460 CB SER A 714 10.093 -0.855 -5.618 1.00 0.00 C ATOM 461 OG SER A 714 10.574 -2.101 -6.094 1.00 0.00 O ATOM 0 H SER A 714 9.308 1.066 -4.262 1.00 0.00 H new ATOM 0 HA SER A 714 8.387 -1.626 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 714 9.479 -0.382 -6.385 1.00 0.00 H new ATOM 0 HB3 SER A 714 10.933 -0.187 -5.425 1.00 0.00 H new ATOM 0 HG SER A 714 11.094 -1.960 -6.913 1.00 0.00 H new ATOM 467 N ASN A 715 10.676 -1.040 -2.355 1.00 0.00 N ATOM 468 CA ASN A 715 11.473 -1.641 -1.289 1.00 0.00 C ATOM 469 C ASN A 715 10.577 -2.143 -0.160 1.00 0.00 C ATOM 470 O ASN A 715 11.037 -2.818 0.761 1.00 0.00 O ATOM 471 CB ASN A 715 12.481 -0.627 -0.745 1.00 0.00 C ATOM 472 CG ASN A 715 13.415 -0.110 -1.822 1.00 0.00 C ATOM 473 OD1 ASN A 715 13.012 0.967 -2.486 1.00 0.00 O flip ATOM 474 ND2 ASN A 715 14.485 -0.673 -2.055 1.00 0.00 N flip ATOM 0 H ASN A 715 10.618 -0.022 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 715 12.013 -2.491 -1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 715 11.945 0.211 -0.299 1.00 0.00 H new ATOM 0 HB3 ASN A 715 13.067 -1.090 0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 715 14.754 -1.498 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 715 15.102 -0.314 -2.784 1.00 0.00 H new ATOM 481 N LEU A 716 9.294 -1.803 -0.242 1.00 0.00 N ATOM 482 CA LEU A 716 8.316 -2.217 0.760 1.00 0.00 C ATOM 483 C LEU A 716 8.226 -3.737 0.850 1.00 0.00 C ATOM 484 O LEU A 716 8.836 -4.456 0.059 1.00 0.00 O ATOM 485 CB LEU A 716 6.938 -1.656 0.405 1.00 0.00 C ATOM 486 CG LEU A 716 6.713 -0.179 0.718 1.00 0.00 C ATOM 487 CD1 LEU A 716 5.358 0.263 0.190 1.00 0.00 C ATOM 488 CD2 LEU A 716 6.811 0.075 2.215 1.00 0.00 C ATOM 0 H LEU A 716 8.905 -1.238 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 716 8.642 -1.828 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 716 6.769 -1.810 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 716 6.184 -2.238 0.935 1.00 0.00 H new ATOM 0 HG LEU A 716 7.490 0.404 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 716 5.205 1.318 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 716 5.322 0.116 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 716 4.573 -0.327 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 716 6.648 1.134 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 716 6.055 -0.514 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 716 7.801 -0.213 2.569 1.00 0.00 H new ATOM 500 N ALA A 717 7.457 -4.214 1.823 1.00 0.00 N ATOM 501 CA ALA A 717 7.258 -5.643 2.018 1.00 0.00 C ATOM 502 C ALA A 717 5.830 -6.027 1.649 1.00 0.00 C ATOM 503 O ALA A 717 4.894 -5.281 1.927 1.00 0.00 O ATOM 504 CB ALA A 717 7.562 -6.031 3.457 1.00 0.00 C ATOM 0 H ALA A 717 6.959 -3.627 2.492 1.00 0.00 H new ATOM 0 HA ALA A 717 7.944 -6.185 1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 717 7.408 -7.102 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 717 8.597 -5.783 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 717 6.898 -5.486 4.129 1.00 0.00 H new ATOM 510 N LYS A 718 5.665 -7.185 1.021 1.00 0.00 N ATOM 511 CA LYS A 718 4.341 -7.643 0.612 1.00 0.00 C ATOM 512 C LYS A 718 3.397 -7.760 1.803 1.00 0.00 C ATOM 513 O LYS A 718 3.830 -7.945 2.940 1.00 0.00 O ATOM 514 CB LYS A 718 4.433 -8.982 -0.115 1.00 0.00 C ATOM 515 CG LYS A 718 4.073 -8.888 -1.586 1.00 0.00 C ATOM 516 CD LYS A 718 5.132 -8.132 -2.374 1.00 0.00 C ATOM 517 CE LYS A 718 4.744 -7.985 -3.837 1.00 0.00 C ATOM 518 NZ LYS A 718 5.775 -7.245 -4.615 1.00 0.00 N ATOM 0 H LYS A 718 6.426 -7.822 0.784 1.00 0.00 H new ATOM 0 HA LYS A 718 3.935 -6.896 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 718 5.447 -9.371 -0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 718 3.770 -9.698 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 718 3.959 -9.891 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 718 3.111 -8.387 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 718 5.277 -7.145 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 718 6.084 -8.657 -2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 718 4.599 -8.973 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 718 3.791 -7.461 -3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 5.472 -7.167 -5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 5.896 -6.293 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 6.679 -7.757 -4.569 1.00 0.00 H new ATOM 532 N GLY A 719 2.101 -7.649 1.526 1.00 0.00 N ATOM 533 CA GLY A 719 1.103 -7.737 2.575 1.00 0.00 C ATOM 534 C GLY A 719 1.076 -6.498 3.446 1.00 0.00 C ATOM 535 O GLY A 719 0.255 -6.385 4.356 1.00 0.00 O ATOM 0 H GLY A 719 1.724 -7.499 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 719 0.120 -7.886 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 719 1.306 -8.610 3.195 1.00 0.00 H new ATOM 539 N GLU A 720 1.979 -5.565 3.161 1.00 0.00 N ATOM 540 CA GLU A 720 2.069 -4.322 3.920 1.00 0.00 C ATOM 541 C GLU A 720 1.554 -3.141 3.109 1.00 0.00 C ATOM 542 O GLU A 720 1.279 -3.260 1.914 1.00 0.00 O ATOM 543 CB GLU A 720 3.510 -4.061 4.353 1.00 0.00 C ATOM 544 CG GLU A 720 4.029 -5.055 5.378 1.00 0.00 C ATOM 545 CD GLU A 720 3.194 -5.077 6.644 1.00 0.00 C ATOM 546 OE1 GLU A 720 3.477 -4.272 7.556 1.00 0.00 O ATOM 547 OE2 GLU A 720 2.257 -5.899 6.723 1.00 0.00 O ATOM 0 H GLU A 720 2.661 -5.647 2.407 1.00 0.00 H new ATOM 0 HA GLU A 720 1.443 -4.431 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 720 4.155 -4.088 3.475 1.00 0.00 H new ATOM 0 HB3 GLU A 720 3.579 -3.055 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 720 4.041 -6.052 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 720 5.059 -4.806 5.631 1.00 0.00 H new ATOM 554 N LYS A 721 1.417 -2.002 3.777 1.00 0.00 N ATOM 555 CA LYS A 721 0.939 -0.789 3.131 1.00 0.00 C ATOM 556 C LYS A 721 1.913 0.361 3.325 1.00 0.00 C ATOM 557 O LYS A 721 2.935 0.217 3.997 1.00 0.00 O ATOM 558 CB LYS A 721 -0.424 -0.394 3.687 1.00 0.00 C ATOM 559 CG LYS A 721 -1.585 -1.153 3.074 1.00 0.00 C ATOM 560 CD LYS A 721 -2.610 -1.525 4.127 1.00 0.00 C ATOM 561 CE LYS A 721 -2.070 -2.597 5.065 1.00 0.00 C ATOM 562 NZ LYS A 721 -3.076 -3.004 6.085 1.00 0.00 N ATOM 0 H LYS A 721 1.631 -1.894 4.768 1.00 0.00 H new ATOM 0 HA LYS A 721 0.853 -0.997 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 721 -0.426 -0.556 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 721 -0.575 0.673 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 721 -2.056 -0.543 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 721 -1.217 -2.055 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 721 -2.884 -0.640 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 721 -3.518 -1.885 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 721 -1.769 -3.469 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 721 -1.177 -2.224 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 721 -2.668 -3.735 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 721 -3.344 -2.178 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 721 -3.919 -3.384 5.609 1.00 0.00 H new ATOM 576 N ALA A 722 1.586 1.507 2.733 1.00 0.00 N ATOM 577 CA ALA A 722 2.433 2.695 2.855 1.00 0.00 C ATOM 578 C ALA A 722 1.758 3.918 2.251 1.00 0.00 C ATOM 579 O ALA A 722 1.367 3.906 1.085 1.00 0.00 O ATOM 580 CB ALA A 722 3.780 2.458 2.191 1.00 0.00 C ATOM 0 H ALA A 722 0.748 1.640 2.168 1.00 0.00 H new ATOM 0 HA ALA A 722 2.591 2.885 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 722 4.397 3.351 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 722 4.279 1.616 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 722 3.631 2.237 1.134 1.00 0.00 H new ATOM 586 N ASN A 723 1.678 4.990 3.040 1.00 0.00 N ATOM 587 CA ASN A 723 1.035 6.225 2.603 1.00 0.00 C ATOM 588 C ASN A 723 1.880 6.992 1.598 1.00 0.00 C ATOM 589 O ASN A 723 2.981 7.451 1.906 1.00 0.00 O ATOM 590 CB ASN A 723 0.734 7.120 3.809 1.00 0.00 C ATOM 591 CG ASN A 723 -0.315 6.524 4.727 1.00 0.00 C ATOM 592 OD1 ASN A 723 -1.501 6.831 4.615 1.00 0.00 O ATOM 593 ND2 ASN A 723 0.119 5.665 5.643 1.00 0.00 N ATOM 0 H ASN A 723 2.053 5.026 3.988 1.00 0.00 H new ATOM 0 HA ASN A 723 0.106 5.943 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 723 1.652 7.287 4.372 1.00 0.00 H new ATOM 0 HB3 ASN A 723 0.394 8.094 3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 723 -0.541 5.231 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 723 1.112 5.439 5.700 1.00 0.00 H new ATOM 600 N VAL A 724 1.343 7.122 0.390 1.00 0.00 N ATOM 601 CA VAL A 724 2.008 7.851 -0.676 1.00 0.00 C ATOM 602 C VAL A 724 1.029 8.783 -1.376 1.00 0.00 C ATOM 603 O VAL A 724 -0.133 8.433 -1.585 1.00 0.00 O ATOM 604 CB VAL A 724 2.645 6.911 -1.714 1.00 0.00 C ATOM 605 CG1 VAL A 724 3.907 6.286 -1.152 1.00 0.00 C ATOM 606 CG2 VAL A 724 1.662 5.839 -2.152 1.00 0.00 C ATOM 0 H VAL A 724 0.440 6.727 0.126 1.00 0.00 H new ATOM 0 HA VAL A 724 2.805 8.432 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 724 2.911 7.499 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 724 4.348 5.623 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 724 4.620 7.071 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 724 3.662 5.714 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 724 2.137 5.188 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 724 1.357 5.250 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.786 6.309 -2.598 1.00 0.00 H new ATOM 616 N LEU A 725 1.500 9.972 -1.728 1.00 0.00 N ATOM 617 CA LEU A 725 0.654 10.950 -2.402 1.00 0.00 C ATOM 618 C LEU A 725 0.429 10.551 -3.854 1.00 0.00 C ATOM 619 O LEU A 725 1.308 9.971 -4.493 1.00 0.00 O ATOM 620 CB LEU A 725 1.275 12.348 -2.348 1.00 0.00 C ATOM 621 CG LEU A 725 2.533 12.482 -1.487 1.00 0.00 C ATOM 622 CD1 LEU A 725 3.276 13.762 -1.834 1.00 0.00 C ATOM 623 CD2 LEU A 725 2.171 12.459 -0.010 1.00 0.00 C ATOM 0 H LEU A 725 2.457 10.282 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 725 -0.303 10.972 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 725 1.518 12.657 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.525 13.045 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 725 3.187 11.635 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 725 4.169 13.844 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 725 3.565 13.742 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 725 2.628 14.619 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 725 3.077 12.555 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 725 1.499 13.288 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 725 1.677 11.517 0.229 1.00 0.00 H new ATOM 635 N ILE A 726 -0.753 10.862 -4.369 1.00 0.00 N ATOM 636 CA ILE A 726 -1.093 10.541 -5.750 1.00 0.00 C ATOM 637 C ILE A 726 -1.397 11.801 -6.549 1.00 0.00 C ATOM 638 O ILE A 726 -1.803 11.732 -7.709 1.00 0.00 O ATOM 639 CB ILE A 726 -2.302 9.594 -5.828 1.00 0.00 C ATOM 640 CG1 ILE A 726 -3.356 9.983 -4.788 1.00 0.00 C ATOM 641 CG2 ILE A 726 -1.856 8.151 -5.635 1.00 0.00 C ATOM 642 CD1 ILE A 726 -4.599 9.119 -4.830 1.00 0.00 C ATOM 0 H ILE A 726 -1.493 11.336 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 726 -0.224 10.042 -6.179 1.00 0.00 H new ATOM 0 HB ILE A 726 -2.753 9.684 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 726 -2.914 9.920 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 726 -3.642 11.023 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 726 -2.722 7.492 -5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 726 -1.143 7.883 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 726 -1.383 8.044 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -5.300 9.453 -4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -5.066 9.201 -5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 726 -4.327 8.080 -4.643 1.00 0.00 H new ATOM 654 N GLY A 727 -1.194 12.950 -5.918 1.00 0.00 N ATOM 655 CA GLY A 727 -1.446 14.217 -6.580 1.00 0.00 C ATOM 656 C GLY A 727 -0.965 15.400 -5.765 1.00 0.00 C ATOM 657 O GLY A 727 -1.448 16.519 -5.939 1.00 0.00 O ATOM 0 H GLY A 727 -0.859 13.028 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 727 -0.950 14.222 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 727 -2.515 14.319 -6.768 1.00 0.00 H new ATOM 661 N GLN A 728 -0.013 15.149 -4.868 1.00 0.00 N ATOM 662 CA GLN A 728 0.540 16.198 -4.017 1.00 0.00 C ATOM 663 C GLN A 728 -0.554 16.850 -3.176 1.00 0.00 C ATOM 664 O GLN A 728 -0.398 17.976 -2.704 1.00 0.00 O ATOM 665 CB GLN A 728 1.250 17.261 -4.863 1.00 0.00 C ATOM 666 CG GLN A 728 2.517 16.760 -5.542 1.00 0.00 C ATOM 667 CD GLN A 728 2.248 15.667 -6.558 1.00 0.00 C ATOM 668 OE1 GLN A 728 2.267 14.480 -6.232 1.00 0.00 O ATOM 669 NE2 GLN A 728 1.996 16.065 -7.799 1.00 0.00 N ATOM 0 H GLN A 728 0.391 14.226 -4.712 1.00 0.00 H new ATOM 0 HA GLN A 728 1.266 15.737 -3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 728 0.561 17.626 -5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 728 1.501 18.110 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 728 3.013 17.595 -6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 728 3.205 16.384 -4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 728 1.990 17.060 -8.024 1.00 0.00 H new ATOM 0 HE22 GLN A 728 1.808 15.376 -8.527 1.00 0.00 H new ATOM 678 N GLY A 729 -1.657 16.130 -2.988 1.00 0.00 N ATOM 679 CA GLY A 729 -2.760 16.657 -2.204 1.00 0.00 C ATOM 680 C GLY A 729 -3.534 15.574 -1.480 1.00 0.00 C ATOM 681 O GLY A 729 -4.151 15.833 -0.446 1.00 0.00 O ATOM 0 H GLY A 729 -1.806 15.193 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 729 -2.374 17.370 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 729 -3.437 17.205 -2.859 1.00 0.00 H new ATOM 685 N ASP A 730 -3.505 14.360 -2.020 1.00 0.00 N ATOM 686 CA ASP A 730 -4.213 13.239 -1.413 1.00 0.00 C ATOM 687 C ASP A 730 -3.231 12.194 -0.899 1.00 0.00 C ATOM 688 O ASP A 730 -2.528 11.551 -1.678 1.00 0.00 O ATOM 689 CB ASP A 730 -5.175 12.603 -2.421 1.00 0.00 C ATOM 690 CG ASP A 730 -6.106 13.619 -3.053 1.00 0.00 C ATOM 691 OD1 ASP A 730 -7.111 13.986 -2.409 1.00 0.00 O ATOM 692 OD2 ASP A 730 -5.831 14.048 -4.194 1.00 0.00 O ATOM 0 H ASP A 730 -3.000 14.128 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 730 -4.788 13.620 -0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 730 -4.601 12.105 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 730 -5.765 11.835 -1.921 1.00 0.00 H new ATOM 697 N VAL A 731 -3.189 12.030 0.420 1.00 0.00 N ATOM 698 CA VAL A 731 -2.296 11.062 1.037 1.00 0.00 C ATOM 699 C VAL A 731 -3.021 9.747 1.303 1.00 0.00 C ATOM 700 O VAL A 731 -3.857 9.656 2.202 1.00 0.00 O ATOM 701 CB VAL A 731 -1.715 11.599 2.360 1.00 0.00 C ATOM 702 CG1 VAL A 731 -0.828 10.557 3.021 1.00 0.00 C ATOM 703 CG2 VAL A 731 -0.943 12.888 2.116 1.00 0.00 C ATOM 0 H VAL A 731 -3.763 12.556 1.079 1.00 0.00 H new ATOM 0 HA VAL A 731 -1.478 10.888 0.338 1.00 0.00 H new ATOM 0 HB VAL A 731 -2.542 11.816 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 731 -0.429 10.957 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 731 -1.413 9.662 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 731 -0.005 10.303 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 731 -0.539 13.254 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 731 -0.125 12.696 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 731 -1.611 13.638 1.692 1.00 0.00 H new ATOM 713 N VAL A 732 -2.691 8.734 0.511 1.00 0.00 N ATOM 714 CA VAL A 732 -3.303 7.419 0.648 1.00 0.00 C ATOM 715 C VAL A 732 -2.244 6.324 0.579 1.00 0.00 C ATOM 716 O VAL A 732 -1.291 6.424 -0.192 1.00 0.00 O ATOM 717 CB VAL A 732 -4.352 7.168 -0.455 1.00 0.00 C ATOM 718 CG1 VAL A 732 -5.502 8.156 -0.343 1.00 0.00 C ATOM 719 CG2 VAL A 732 -3.710 7.248 -1.832 1.00 0.00 C ATOM 0 H VAL A 732 -2.000 8.799 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 732 -3.797 7.394 1.619 1.00 0.00 H new ATOM 0 HB VAL A 732 -4.753 6.164 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 732 -6.229 7.959 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 732 -5.982 8.046 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 732 -5.120 9.172 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 732 -4.466 7.068 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 732 -3.278 8.238 -1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 732 -2.926 6.495 -1.912 1.00 0.00 H new ATOM 729 N LEU A 733 -2.422 5.276 1.373 1.00 0.00 N ATOM 730 CA LEU A 733 -1.473 4.169 1.395 1.00 0.00 C ATOM 731 C LEU A 733 -1.820 3.142 0.337 1.00 0.00 C ATOM 732 O LEU A 733 -2.956 3.079 -0.129 1.00 0.00 O ATOM 733 CB LEU A 733 -1.398 3.495 2.775 1.00 0.00 C ATOM 734 CG LEU A 733 -2.735 3.197 3.453 1.00 0.00 C ATOM 735 CD1 LEU A 733 -2.570 2.112 4.505 1.00 0.00 C ATOM 736 CD2 LEU A 733 -3.297 4.450 4.085 1.00 0.00 C ATOM 0 H LEU A 733 -3.212 5.169 2.009 1.00 0.00 H new ATOM 0 HA LEU A 733 -0.492 4.591 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 733 -0.851 2.558 2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 733 -0.813 4.133 3.437 1.00 0.00 H new ATOM 0 HG LEU A 733 -3.432 2.843 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 733 -3.532 1.913 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 733 -2.202 1.201 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 733 -1.857 2.443 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 733 -4.249 4.221 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 733 -2.597 4.826 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 733 -3.450 5.208 3.317 1.00 0.00 H new ATOM 748 N VAL A 734 -0.825 2.360 -0.067 1.00 0.00 N ATOM 749 CA VAL A 734 -1.040 1.335 -1.064 1.00 0.00 C ATOM 750 C VAL A 734 -0.885 -0.033 -0.459 1.00 0.00 C ATOM 751 O VAL A 734 -0.351 -0.176 0.640 1.00 0.00 O ATOM 752 CB VAL A 734 -0.092 1.467 -2.263 1.00 0.00 C ATOM 753 CG1 VAL A 734 -0.894 1.858 -3.478 1.00 0.00 C ATOM 754 CG2 VAL A 734 1.012 2.475 -1.986 1.00 0.00 C ATOM 0 H VAL A 734 0.131 2.421 0.282 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.059 1.469 -1.427 1.00 0.00 H new ATOM 0 HB VAL A 734 0.394 0.508 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -0.230 1.955 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -1.642 1.092 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -1.391 2.811 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 734 1.667 2.545 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 734 0.571 3.451 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 734 1.591 2.152 -1.121 1.00 0.00 H new ATOM 764 N MET A 735 -1.342 -1.034 -1.195 1.00 0.00 N ATOM 765 CA MET A 735 -1.279 -2.410 -0.745 1.00 0.00 C ATOM 766 C MET A 735 -0.545 -3.267 -1.759 1.00 0.00 C ATOM 767 O MET A 735 -1.001 -3.444 -2.888 1.00 0.00 O ATOM 768 CB MET A 735 -2.691 -2.938 -0.536 1.00 0.00 C ATOM 769 CG MET A 735 -2.925 -3.500 0.854 1.00 0.00 C ATOM 770 SD MET A 735 -2.827 -5.300 0.915 1.00 0.00 S ATOM 771 CE MET A 735 -1.081 -5.559 0.618 1.00 0.00 C ATOM 0 H MET A 735 -1.764 -0.914 -2.116 1.00 0.00 H new ATOM 0 HA MET A 735 -0.733 -2.452 0.198 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.403 -2.133 -0.719 1.00 0.00 H new ATOM 0 HB3 MET A 735 -2.893 -3.715 -1.273 1.00 0.00 H new ATOM 0 HG2 MET A 735 -2.189 -3.079 1.538 1.00 0.00 H new ATOM 0 HG3 MET A 735 -3.906 -3.183 1.207 1.00 0.00 H new ATOM 0 HE1 MET A 735 -0.726 -6.385 1.234 1.00 0.00 H new ATOM 0 HE2 MET A 735 -0.922 -5.796 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 735 -0.530 -4.653 0.873 1.00 0.00 H new ATOM 781 N LYS A 736 0.592 -3.799 -1.346 1.00 0.00 N ATOM 782 CA LYS A 736 1.407 -4.628 -2.222 1.00 0.00 C ATOM 783 C LYS A 736 0.642 -5.866 -2.692 1.00 0.00 C ATOM 784 O LYS A 736 -0.527 -6.053 -2.356 1.00 0.00 O ATOM 785 CB LYS A 736 2.692 -5.043 -1.511 1.00 0.00 C ATOM 786 CG LYS A 736 3.139 -4.074 -0.427 1.00 0.00 C ATOM 787 CD LYS A 736 3.735 -2.809 -1.013 1.00 0.00 C ATOM 788 CE LYS A 736 5.043 -3.074 -1.747 1.00 0.00 C ATOM 789 NZ LYS A 736 4.830 -3.663 -3.099 1.00 0.00 N ATOM 0 H LYS A 736 0.974 -3.673 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 736 1.659 -4.036 -3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 736 2.548 -6.028 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 736 3.489 -5.140 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 736 2.288 -3.817 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 736 3.875 -4.560 0.214 1.00 0.00 H new ATOM 0 HD2 LYS A 736 3.020 -2.357 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 736 3.908 -2.088 -0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 736 5.597 -2.140 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 736 5.659 -3.749 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 736 5.144 -4.654 -3.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 736 3.819 -3.620 -3.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 736 5.377 -3.126 -3.802 1.00 0.00 H new ATOM 803 N ARG A 737 1.310 -6.707 -3.477 1.00 0.00 N ATOM 804 CA ARG A 737 0.693 -7.922 -3.999 1.00 0.00 C ATOM 805 C ARG A 737 0.397 -8.913 -2.884 1.00 0.00 C ATOM 806 O ARG A 737 1.060 -8.918 -1.849 1.00 0.00 O ATOM 807 CB ARG A 737 1.603 -8.587 -5.032 1.00 0.00 C ATOM 808 CG ARG A 737 2.110 -7.633 -6.101 1.00 0.00 C ATOM 809 CD ARG A 737 3.152 -8.296 -6.988 1.00 0.00 C ATOM 810 NE ARG A 737 3.784 -7.345 -7.899 1.00 0.00 N ATOM 811 CZ ARG A 737 5.028 -7.473 -8.355 1.00 0.00 C ATOM 812 NH1 ARG A 737 5.770 -8.510 -7.987 1.00 0.00 N ATOM 813 NH2 ARG A 737 5.529 -6.565 -9.179 1.00 0.00 N ATOM 0 H ARG A 737 2.279 -6.569 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 737 -0.245 -7.633 -4.472 1.00 0.00 H new ATOM 0 HB2 ARG A 737 2.456 -9.031 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 737 1.060 -9.401 -5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 737 1.274 -7.291 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 737 2.541 -6.750 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 737 3.915 -8.762 -6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 737 2.682 -9.093 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 737 3.241 -6.537 -8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 737 5.387 -9.212 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 737 6.723 -8.605 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG A 737 4.961 -5.767 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 737 6.482 -6.664 -9.528 1.00 0.00 H new ATOM 827 N LYS A 738 -0.612 -9.743 -3.103 1.00 0.00 N ATOM 828 CA LYS A 738 -0.979 -10.760 -2.134 1.00 0.00 C ATOM 829 C LYS A 738 -0.111 -11.992 -2.344 1.00 0.00 C ATOM 830 O LYS A 738 -0.111 -12.917 -1.533 1.00 0.00 O ATOM 831 CB LYS A 738 -2.460 -11.123 -2.272 1.00 0.00 C ATOM 832 CG LYS A 738 -2.828 -11.651 -3.650 1.00 0.00 C ATOM 833 CD LYS A 738 -4.318 -11.935 -3.763 1.00 0.00 C ATOM 834 CE LYS A 738 -5.135 -10.651 -3.751 1.00 0.00 C ATOM 835 NZ LYS A 738 -4.716 -9.717 -4.832 1.00 0.00 N ATOM 0 H LYS A 738 -1.190 -9.731 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 738 -0.817 -10.371 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 738 -2.713 -11.874 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 738 -3.064 -10.242 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 738 -2.537 -10.924 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 738 -2.267 -12.563 -3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 738 -4.516 -12.484 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 738 -4.631 -12.574 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 738 -6.192 -10.892 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 738 -5.026 -10.160 -2.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 738 -5.465 -9.013 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 738 -3.839 -9.233 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 738 -4.551 -10.252 -5.708 1.00 0.00 H new ATOM 849 N ARG A 739 0.630 -11.983 -3.452 1.00 0.00 N ATOM 850 CA ARG A 739 1.517 -13.084 -3.799 1.00 0.00 C ATOM 851 C ARG A 739 2.355 -12.742 -5.029 1.00 0.00 C ATOM 852 O ARG A 739 3.556 -12.494 -4.923 1.00 0.00 O ATOM 853 CB ARG A 739 0.710 -14.359 -4.053 1.00 0.00 C ATOM 854 CG ARG A 739 1.562 -15.554 -4.452 1.00 0.00 C ATOM 855 CD ARG A 739 0.714 -16.798 -4.668 1.00 0.00 C ATOM 856 NE ARG A 739 0.046 -17.226 -3.441 1.00 0.00 N ATOM 857 CZ ARG A 739 -0.841 -18.215 -3.389 1.00 0.00 C ATOM 858 NH1 ARG A 739 -1.171 -18.873 -4.492 1.00 0.00 N ATOM 859 NH2 ARG A 739 -1.399 -18.548 -2.233 1.00 0.00 N ATOM 0 H ARG A 739 0.630 -11.218 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 739 2.191 -13.252 -2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 739 0.149 -14.609 -3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 739 -0.020 -14.166 -4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 739 2.109 -15.323 -5.366 1.00 0.00 H new ATOM 0 HG3 ARG A 739 2.303 -15.748 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 739 -0.033 -16.598 -5.436 1.00 0.00 H new ATOM 0 HD3 ARG A 739 1.344 -17.606 -5.038 1.00 0.00 H new ATOM 0 HE ARG A 739 0.273 -16.738 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 739 -0.744 -18.621 -5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 739 -1.852 -19.631 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 739 -1.148 -18.045 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 739 -2.079 -19.307 -2.195 1.00 0.00 H new ATOM 873 N ASP A 740 1.712 -12.727 -6.194 1.00 0.00 N ATOM 874 CA ASP A 740 2.402 -12.415 -7.443 1.00 0.00 C ATOM 875 C ASP A 740 1.439 -11.824 -8.469 1.00 0.00 C ATOM 876 O ASP A 740 0.341 -12.341 -8.676 1.00 0.00 O ATOM 877 CB ASP A 740 3.064 -13.670 -8.014 1.00 0.00 C ATOM 878 CG ASP A 740 3.839 -13.386 -9.286 1.00 0.00 C ATOM 879 OD1 ASP A 740 5.027 -13.013 -9.187 1.00 0.00 O ATOM 880 OD2 ASP A 740 3.258 -13.536 -10.382 1.00 0.00 O ATOM 0 H ASP A 740 0.717 -12.927 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 740 3.171 -11.674 -7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 740 3.737 -14.094 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 740 2.300 -14.420 -8.217 1.00 0.00 H new ATOM 885 N SER A 741 1.863 -10.738 -9.108 1.00 0.00 N ATOM 886 CA SER A 741 1.049 -10.068 -10.117 1.00 0.00 C ATOM 887 C SER A 741 1.878 -9.043 -10.881 1.00 0.00 C ATOM 888 O SER A 741 2.773 -8.409 -10.320 1.00 0.00 O ATOM 889 CB SER A 741 -0.153 -9.383 -9.464 1.00 0.00 C ATOM 890 OG SER A 741 0.266 -8.396 -8.540 1.00 0.00 O ATOM 0 H SER A 741 2.770 -10.301 -8.944 1.00 0.00 H new ATOM 0 HA SER A 741 0.689 -10.820 -10.819 1.00 0.00 H new ATOM 0 HB2 SER A 741 -0.777 -8.926 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 741 -0.767 -10.126 -8.955 1.00 0.00 H new ATOM 0 HG SER A 741 0.512 -7.580 -9.023 1.00 0.00 H new ATOM 896 N SER A 742 1.577 -8.887 -12.165 1.00 0.00 N ATOM 897 CA SER A 742 2.299 -7.941 -13.008 1.00 0.00 C ATOM 898 C SER A 742 1.932 -6.503 -12.661 1.00 0.00 C ATOM 899 O SER A 742 2.808 -5.657 -12.480 1.00 0.00 O ATOM 900 CB SER A 742 2.000 -8.213 -14.484 1.00 0.00 C ATOM 901 OG SER A 742 2.685 -7.296 -15.320 1.00 0.00 O ATOM 0 H SER A 742 0.839 -9.402 -12.645 1.00 0.00 H new ATOM 0 HA SER A 742 3.365 -8.075 -12.826 1.00 0.00 H new ATOM 0 HB2 SER A 742 2.296 -9.231 -14.737 1.00 0.00 H new ATOM 0 HB3 SER A 742 0.927 -8.140 -14.661 1.00 0.00 H new ATOM 0 HG SER A 742 2.479 -7.492 -16.258 1.00 0.00 H new ATOM 907 N ILE A 743 0.634 -6.232 -12.569 1.00 0.00 N ATOM 908 CA ILE A 743 0.155 -4.892 -12.254 1.00 0.00 C ATOM 909 C ILE A 743 -0.753 -4.901 -11.037 1.00 0.00 C ATOM 910 O ILE A 743 -1.192 -3.851 -10.567 1.00 0.00 O ATOM 911 CB ILE A 743 -0.591 -4.284 -13.456 1.00 0.00 C ATOM 912 CG1 ILE A 743 -2.014 -4.846 -13.558 1.00 0.00 C ATOM 913 CG2 ILE A 743 0.181 -4.576 -14.730 1.00 0.00 C ATOM 914 CD1 ILE A 743 -2.867 -4.144 -14.595 1.00 0.00 C ATOM 0 H ILE A 743 -0.104 -6.922 -12.708 1.00 0.00 H new ATOM 0 HA ILE A 743 1.027 -4.278 -12.028 1.00 0.00 H new ATOM 0 HB ILE A 743 -0.665 -3.206 -13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -1.961 -5.907 -13.801 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -2.499 -4.765 -12.585 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -0.346 -4.146 -15.582 1.00 0.00 H new ATOM 0 HG22 ILE A 743 1.177 -4.138 -14.661 1.00 0.00 H new ATOM 0 HG23 ILE A 743 0.268 -5.654 -14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -3.860 -4.593 -14.613 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -2.951 -3.087 -14.342 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -2.404 -4.247 -15.577 1.00 0.00 H new ATOM 926 N LEU A 744 -1.031 -6.096 -10.541 1.00 0.00 N ATOM 927 CA LEU A 744 -1.883 -6.268 -9.373 1.00 0.00 C ATOM 928 C LEU A 744 -3.306 -5.792 -9.662 1.00 0.00 C ATOM 929 O LEU A 744 -3.579 -4.590 -9.657 1.00 0.00 O ATOM 930 CB LEU A 744 -1.307 -5.508 -8.171 1.00 0.00 C ATOM 931 CG LEU A 744 -1.242 -6.294 -6.856 1.00 0.00 C ATOM 932 CD1 LEU A 744 -0.802 -5.386 -5.718 1.00 0.00 C ATOM 933 CD2 LEU A 744 -2.585 -6.934 -6.537 1.00 0.00 C ATOM 0 H LEU A 744 -0.676 -6.969 -10.932 1.00 0.00 H new ATOM 0 HA LEU A 744 -1.917 -7.331 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 744 -0.300 -5.175 -8.424 1.00 0.00 H new ATOM 0 HB3 LEU A 744 -1.908 -4.613 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 744 -0.507 -7.091 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 744 -0.761 -5.958 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 744 0.185 -4.979 -5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 744 -1.515 -4.569 -5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 744 -2.512 -7.485 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 744 -3.345 -6.158 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 744 -2.862 -7.618 -7.339 1.00 0.00 H new ATOM 945 N THR A 745 -4.205 -6.738 -9.921 1.00 0.00 N ATOM 946 CA THR A 745 -5.600 -6.414 -10.212 1.00 0.00 C ATOM 947 C THR A 745 -6.200 -5.553 -9.106 1.00 0.00 C ATOM 948 O THR A 745 -6.185 -5.934 -7.936 1.00 0.00 O ATOM 949 CB THR A 745 -6.453 -7.687 -10.376 1.00 0.00 C ATOM 950 OG1 THR A 745 -5.878 -8.537 -11.376 1.00 0.00 O ATOM 951 CG2 THR A 745 -7.881 -7.336 -10.767 1.00 0.00 C ATOM 0 H THR A 745 -3.993 -7.736 -9.935 1.00 0.00 H new ATOM 0 HA THR A 745 -5.609 -5.860 -11.151 1.00 0.00 H new ATOM 0 HB THR A 745 -6.471 -8.209 -9.420 1.00 0.00 H new ATOM 0 HG1 THR A 745 -6.425 -9.344 -11.473 1.00 0.00 H new ATOM 0 HG21 THR A 745 -8.463 -8.251 -10.877 1.00 0.00 H new ATOM 0 HG22 THR A 745 -8.327 -6.712 -9.993 1.00 0.00 H new ATOM 0 HG23 THR A 745 -7.876 -6.793 -11.712 1.00 0.00 H new ATOM 959 N ASP A 746 -6.737 -4.395 -9.482 1.00 0.00 N ATOM 960 CA ASP A 746 -7.329 -3.478 -8.513 1.00 0.00 C ATOM 961 C ASP A 746 -8.543 -2.757 -9.093 1.00 0.00 C ATOM 962 O ASP A 746 -9.021 -3.090 -10.177 1.00 0.00 O ATOM 963 CB ASP A 746 -6.289 -2.452 -8.071 1.00 0.00 C ATOM 964 CG ASP A 746 -5.716 -1.682 -9.243 1.00 0.00 C ATOM 965 OD1 ASP A 746 -6.370 -0.720 -9.697 1.00 0.00 O ATOM 966 OD2 ASP A 746 -4.612 -2.038 -9.706 1.00 0.00 O ATOM 0 H ASP A 746 -6.774 -4.070 -10.448 1.00 0.00 H new ATOM 0 HA ASP A 746 -7.660 -4.065 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.744 -1.755 -7.367 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.482 -2.959 -7.541 1.00 0.00 H new ATOM 971 N SER A 747 -9.030 -1.762 -8.355 1.00 0.00 N ATOM 972 CA SER A 747 -10.185 -0.976 -8.780 1.00 0.00 C ATOM 973 C SER A 747 -10.351 0.256 -7.897 1.00 0.00 C ATOM 974 O SER A 747 -10.145 0.195 -6.684 1.00 0.00 O ATOM 975 CB SER A 747 -11.455 -1.828 -8.737 1.00 0.00 C ATOM 976 OG SER A 747 -12.578 -1.090 -9.187 1.00 0.00 O ATOM 0 H SER A 747 -8.640 -1.480 -7.456 1.00 0.00 H new ATOM 0 HA SER A 747 -10.016 -0.648 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 747 -11.324 -2.713 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 747 -11.629 -2.177 -7.719 1.00 0.00 H new ATOM 0 HG SER A 747 -13.341 -1.694 -9.304 1.00 0.00 H new ATOM 982 N GLN A 748 -10.726 1.373 -8.513 1.00 0.00 N ATOM 983 CA GLN A 748 -10.916 2.623 -7.783 1.00 0.00 C ATOM 984 C GLN A 748 -12.286 2.663 -7.114 1.00 0.00 C ATOM 985 O GLN A 748 -12.664 3.672 -6.515 1.00 0.00 O ATOM 986 CB GLN A 748 -10.763 3.817 -8.728 1.00 0.00 C ATOM 987 CG GLN A 748 -11.783 3.839 -9.855 1.00 0.00 C ATOM 988 CD GLN A 748 -11.588 5.013 -10.796 1.00 0.00 C ATOM 989 OE1 GLN A 748 -10.857 4.918 -11.782 1.00 0.00 O ATOM 990 NE2 GLN A 748 -12.242 6.128 -10.494 1.00 0.00 N ATOM 0 H GLN A 748 -10.904 1.439 -9.515 1.00 0.00 H new ATOM 0 HA GLN A 748 -10.152 2.680 -7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -10.851 4.738 -8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -9.761 3.804 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -11.714 2.910 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -12.786 3.881 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -12.837 6.162 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -12.149 6.951 -11.090 1.00 0.00 H new ATOM 999 N THR A 749 -13.026 1.564 -7.217 1.00 0.00 N ATOM 1000 CA THR A 749 -14.352 1.482 -6.621 1.00 0.00 C ATOM 1001 C THR A 749 -14.268 1.434 -5.100 1.00 0.00 C ATOM 1002 O THR A 749 -15.239 1.733 -4.404 1.00 0.00 O ATOM 1003 CB THR A 749 -15.122 0.245 -7.123 1.00 0.00 C ATOM 1004 OG1 THR A 749 -16.455 0.251 -6.599 1.00 0.00 O ATOM 1005 CG2 THR A 749 -14.418 -1.039 -6.710 1.00 0.00 C ATOM 0 H THR A 749 -12.730 0.720 -7.707 1.00 0.00 H new ATOM 0 HA THR A 749 -14.890 2.380 -6.925 1.00 0.00 H new ATOM 0 HB THR A 749 -15.158 0.287 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 749 -16.938 -0.537 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 749 -14.982 -1.897 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 749 -13.414 -1.056 -7.134 1.00 0.00 H new ATOM 0 HG23 THR A 749 -14.353 -1.085 -5.623 1.00 0.00 H new ATOM 1013 N ALA A 750 -13.101 1.054 -4.592 1.00 0.00 N ATOM 1014 CA ALA A 750 -12.885 0.966 -3.154 1.00 0.00 C ATOM 1015 C ALA A 750 -11.757 1.894 -2.717 1.00 0.00 C ATOM 1016 O ALA A 750 -10.582 1.532 -2.782 1.00 0.00 O ATOM 1017 CB ALA A 750 -12.579 -0.471 -2.756 1.00 0.00 C ATOM 0 H ALA A 750 -12.289 0.802 -5.156 1.00 0.00 H new ATOM 0 HA ALA A 750 -13.797 1.283 -2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 750 -12.419 -0.524 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 750 -13.417 -1.111 -3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 750 -11.681 -0.808 -3.273 1.00 0.00 H new ATOM 1023 N THR A 751 -12.121 3.094 -2.275 1.00 0.00 N ATOM 1024 CA THR A 751 -11.137 4.076 -1.834 1.00 0.00 C ATOM 1025 C THR A 751 -10.889 3.974 -0.334 1.00 0.00 C ATOM 1026 O THR A 751 -9.810 4.316 0.143 1.00 0.00 O ATOM 1027 CB THR A 751 -11.578 5.512 -2.183 1.00 0.00 C ATOM 1028 OG1 THR A 751 -11.839 5.615 -3.588 1.00 0.00 O ATOM 1029 CG2 THR A 751 -10.512 6.526 -1.789 1.00 0.00 C ATOM 0 H THR A 751 -13.089 3.409 -2.213 1.00 0.00 H new ATOM 0 HA THR A 751 -10.210 3.854 -2.363 1.00 0.00 H new ATOM 0 HB THR A 751 -12.487 5.731 -1.622 1.00 0.00 H new ATOM 0 HG1 THR A 751 -12.120 6.529 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 751 -10.851 7.529 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 751 -10.334 6.468 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 751 -9.587 6.307 -2.322 1.00 0.00 H new ATOM 1037 N LYS A 752 -11.890 3.515 0.412 1.00 0.00 N ATOM 1038 CA LYS A 752 -11.739 3.360 1.853 1.00 0.00 C ATOM 1039 C LYS A 752 -10.599 2.392 2.140 1.00 0.00 C ATOM 1040 O LYS A 752 -9.742 2.646 2.985 1.00 0.00 O ATOM 1041 CB LYS A 752 -13.037 2.848 2.479 1.00 0.00 C ATOM 1042 CG LYS A 752 -14.227 3.765 2.251 1.00 0.00 C ATOM 1043 CD LYS A 752 -15.495 3.203 2.875 1.00 0.00 C ATOM 1044 CE LYS A 752 -15.938 1.921 2.187 1.00 0.00 C ATOM 1045 NZ LYS A 752 -17.153 1.341 2.824 1.00 0.00 N ATOM 0 H LYS A 752 -12.804 3.247 0.047 1.00 0.00 H new ATOM 0 HA LYS A 752 -11.510 4.331 2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -13.264 1.864 2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -12.888 2.721 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -14.017 4.747 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -14.379 3.906 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -15.324 3.008 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -16.292 3.944 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -16.141 2.125 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -15.128 1.193 2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -17.423 0.469 2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -16.952 1.123 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -17.934 2.026 2.770 1.00 0.00 H new ATOM 1059 N ARG A 753 -10.607 1.282 1.412 1.00 0.00 N ATOM 1060 CA ARG A 753 -9.582 0.253 1.532 1.00 0.00 C ATOM 1061 C ARG A 753 -9.626 -0.655 0.308 1.00 0.00 C ATOM 1062 O ARG A 753 -10.344 -0.374 -0.651 1.00 0.00 O ATOM 1063 CB ARG A 753 -9.761 -0.562 2.815 1.00 0.00 C ATOM 1064 CG ARG A 753 -8.925 -0.050 3.979 1.00 0.00 C ATOM 1065 CD ARG A 753 -8.939 -1.026 5.145 1.00 0.00 C ATOM 1066 NE ARG A 753 -10.271 -1.169 5.725 1.00 0.00 N ATOM 1067 CZ ARG A 753 -10.568 -2.033 6.691 1.00 0.00 C ATOM 1068 NH1 ARG A 753 -9.633 -2.839 7.177 1.00 0.00 N ATOM 1069 NH2 ARG A 753 -11.803 -2.095 7.170 1.00 0.00 N ATOM 0 H ARG A 753 -11.326 1.070 0.720 1.00 0.00 H new ATOM 0 HA ARG A 753 -8.607 0.737 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 753 -10.813 -0.550 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 753 -9.496 -1.601 2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 753 -7.899 0.110 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 753 -9.309 0.916 4.307 1.00 0.00 H new ATOM 0 HD2 ARG A 753 -8.585 -2.000 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 753 -8.245 -0.684 5.912 1.00 0.00 H new ATOM 0 HE ARG A 753 -11.017 -0.572 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 753 -8.682 -2.797 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 753 -9.865 -3.500 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 753 -12.526 -1.480 6.797 1.00 0.00 H new ATOM 0 HH22 ARG A 753 -12.030 -2.758 7.911 1.00 0.00 H new ATOM 1083 N ILE A 754 -8.862 -1.740 0.337 1.00 0.00 N ATOM 1084 CA ILE A 754 -8.828 -2.664 -0.790 1.00 0.00 C ATOM 1085 C ILE A 754 -9.968 -3.674 -0.721 1.00 0.00 C ATOM 1086 O ILE A 754 -10.646 -3.796 0.299 1.00 0.00 O ATOM 1087 CB ILE A 754 -7.485 -3.409 -0.865 1.00 0.00 C ATOM 1088 CG1 ILE A 754 -7.285 -4.280 0.379 1.00 0.00 C ATOM 1089 CG2 ILE A 754 -6.350 -2.409 -1.013 1.00 0.00 C ATOM 1090 CD1 ILE A 754 -6.130 -5.249 0.259 1.00 0.00 C ATOM 0 H ILE A 754 -8.263 -2.000 1.120 1.00 0.00 H new ATOM 0 HA ILE A 754 -8.948 -2.063 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 754 -7.489 -4.064 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 754 -7.119 -3.635 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 754 -8.200 -4.840 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 754 -5.400 -2.942 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 754 -6.492 -1.830 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 754 -6.342 -1.738 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 754 -6.048 -5.832 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 754 -6.303 -5.919 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 754 -5.205 -4.695 0.098 1.00 0.00 H new ATOM 1102 N ARG A 755 -10.169 -4.395 -1.819 1.00 0.00 N ATOM 1103 CA ARG A 755 -11.229 -5.394 -1.902 1.00 0.00 C ATOM 1104 C ARG A 755 -10.717 -6.781 -1.522 1.00 0.00 C ATOM 1105 O ARG A 755 -11.348 -7.791 -1.835 1.00 0.00 O ATOM 1106 CB ARG A 755 -11.825 -5.416 -3.315 1.00 0.00 C ATOM 1107 CG ARG A 755 -10.814 -5.130 -4.420 1.00 0.00 C ATOM 1108 CD ARG A 755 -9.756 -6.217 -4.516 1.00 0.00 C ATOM 1109 NE ARG A 755 -10.340 -7.529 -4.780 1.00 0.00 N ATOM 1110 CZ ARG A 755 -9.633 -8.653 -4.847 1.00 0.00 C ATOM 1111 NH1 ARG A 755 -8.316 -8.625 -4.671 1.00 0.00 N ATOM 1112 NH2 ARG A 755 -10.239 -9.806 -5.091 1.00 0.00 N ATOM 0 H ARG A 755 -9.609 -4.306 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 755 -12.007 -5.119 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 755 -12.275 -6.393 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 755 -12.627 -4.680 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 755 -11.334 -5.044 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 755 -10.332 -4.170 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 755 -9.052 -5.968 -5.310 1.00 0.00 H new ATOM 0 HD3 ARG A 755 -9.189 -6.253 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 755 -11.349 -7.587 -4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 755 -7.845 -7.740 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 755 -7.776 -9.489 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 755 -11.249 -9.832 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 755 -9.695 -10.667 -5.142 1.00 0.00 H new ATOM 1126 N MET A 756 -9.576 -6.823 -0.842 1.00 0.00 N ATOM 1127 CA MET A 756 -8.983 -8.088 -0.421 1.00 0.00 C ATOM 1128 C MET A 756 -8.582 -8.039 1.050 1.00 0.00 C ATOM 1129 O MET A 756 -8.276 -6.974 1.586 1.00 0.00 O ATOM 1130 CB MET A 756 -7.763 -8.415 -1.286 1.00 0.00 C ATOM 1131 CG MET A 756 -7.137 -9.772 -0.988 1.00 0.00 C ATOM 1132 SD MET A 756 -7.998 -11.138 -1.796 1.00 0.00 S ATOM 1133 CE MET A 756 -9.340 -11.438 -0.651 1.00 0.00 C ATOM 0 H MET A 756 -9.043 -5.996 -0.571 1.00 0.00 H new ATOM 0 HA MET A 756 -9.730 -8.872 -0.548 1.00 0.00 H new ATOM 0 HB2 MET A 756 -8.056 -8.384 -2.335 1.00 0.00 H new ATOM 0 HB3 MET A 756 -7.010 -7.640 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 756 -6.096 -9.764 -1.310 1.00 0.00 H new ATOM 0 HG3 MET A 756 -7.136 -9.937 0.089 1.00 0.00 H new ATOM 0 HE1 MET A 756 -9.771 -12.421 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 756 -8.962 -11.402 0.371 1.00 0.00 H new ATOM 0 HE3 MET A 756 -10.107 -10.674 -0.781 1.00 0.00 H new ATOM 1143 N ALA A 757 -8.589 -9.200 1.699 1.00 0.00 N ATOM 1144 CA ALA A 757 -8.223 -9.293 3.108 1.00 0.00 C ATOM 1145 C ALA A 757 -6.882 -10.000 3.275 1.00 0.00 C ATOM 1146 O ALA A 757 -6.703 -11.128 2.815 1.00 0.00 O ATOM 1147 CB ALA A 757 -9.307 -10.021 3.890 1.00 0.00 C ATOM 0 H ALA A 757 -8.844 -10.090 1.271 1.00 0.00 H new ATOM 0 HA ALA A 757 -8.126 -8.282 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -9.019 -10.082 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -10.247 -9.476 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -9.432 -11.027 3.489 1.00 0.00 H new ATOM 1153 N ILE A 758 -5.943 -9.330 3.936 1.00 0.00 N ATOM 1154 CA ILE A 758 -4.619 -9.894 4.162 1.00 0.00 C ATOM 1155 C ILE A 758 -4.425 -10.278 5.626 1.00 0.00 C ATOM 1156 O ILE A 758 -4.576 -9.445 6.521 1.00 0.00 O ATOM 1157 CB ILE A 758 -3.511 -8.904 3.747 1.00 0.00 C ATOM 1158 CG1 ILE A 758 -3.715 -8.444 2.298 1.00 0.00 C ATOM 1159 CG2 ILE A 758 -2.137 -9.538 3.919 1.00 0.00 C ATOM 1160 CD1 ILE A 758 -3.702 -9.574 1.288 1.00 0.00 C ATOM 0 H ILE A 758 -6.076 -8.396 4.324 1.00 0.00 H new ATOM 0 HA ILE A 758 -4.546 -10.790 3.545 1.00 0.00 H new ATOM 0 HB ILE A 758 -3.570 -8.030 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -4.666 -7.915 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -2.933 -7.730 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -1.368 -8.825 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -1.992 -9.814 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -2.067 -10.429 3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.852 -9.169 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -2.742 -10.089 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -4.502 -10.277 1.519 1.00 0.00 H new ATOM 1172 N ASN A 759 -4.090 -11.543 5.863 1.00 0.00 N ATOM 1173 CA ASN A 759 -3.871 -12.039 7.218 1.00 0.00 C ATOM 1174 C ASN A 759 -2.623 -12.915 7.283 1.00 0.00 C ATOM 1175 O ASN A 759 -1.537 -12.373 7.574 1.00 0.00 O ATOM 1176 CB ASN A 759 -5.090 -12.828 7.702 1.00 0.00 C ATOM 1177 CG ASN A 759 -6.340 -11.974 7.780 1.00 0.00 C ATOM 1178 OD1 ASN A 759 -7.099 -11.876 6.817 1.00 0.00 O ATOM 1179 ND2 ASN A 759 -6.557 -11.349 8.932 1.00 0.00 N ATOM 1180 OXT ASN A 759 -2.744 -14.134 7.040 1.00 0.00 O ATOM 0 H ASN A 759 -3.964 -12.244 5.133 1.00 0.00 H new ATOM 0 HA ASN A 759 -3.723 -11.179 7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 759 -5.268 -13.666 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 759 -4.879 -13.249 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 759 -7.381 -10.758 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 759 -5.900 -11.460 9.704 1.00 0.00 H new