USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 543 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 771 THR OG1 : rot 132:sc= 0.283 USER MOD Set 1.2: A 773 HIS : no HD1:sc= 0.252 K(o=0.54,f=-0.0013) USER MOD Single : A 726 SER OG : rot 180:sc= 0 USER MOD Single : A 728 SER OG : rot 73:sc= 0.469 USER MOD Single : A 731 GLN : amide:sc= -9.54! C(o=-9.5!,f=-14!) USER MOD Single : A 735 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.15) USER MOD Single : A 737 ASN : amide:sc= -6.08! K(o=-6.1!,f=-1) USER MOD Single : A 743 GLN : amide:sc= -1.43! X(o=-1.4!,f=-1.3) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -177:sc= -1.84 (180deg=-1.89) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot -56:sc= 1.12 USER MOD Single : A 760 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 768 GLN : amide:sc= -6! C(o=-6!,f=-5.1!) USER MOD Single : A 775 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 776 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 777 GLN : amide:sc= -4.28! K(o=-4.3!,f=-1.4) USER MOD Single : A 778 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 784 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 793 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.32) USER MOD Single : A 794 SER OG : rot -171:sc= 1.26 USER MOD Single : A 795 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 724 9.880 4.479 10.196 1.00 0.00 N ATOM 2 CA ASP A 724 8.459 4.861 10.310 1.00 0.00 C ATOM 3 C ASP A 724 7.612 4.093 9.296 1.00 0.00 C ATOM 4 O ASP A 724 6.601 3.473 9.646 1.00 0.00 O ATOM 5 CB ASP A 724 8.280 6.365 10.066 1.00 0.00 C ATOM 6 CG ASP A 724 8.987 7.228 11.075 1.00 0.00 C ATOM 7 OD1 ASP A 724 10.211 7.419 10.948 1.00 0.00 O ATOM 8 OD2 ASP A 724 8.335 7.739 12.013 1.00 0.00 O ATOM 0 HA ASP A 724 8.131 4.615 11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 724 8.649 6.609 9.070 1.00 0.00 H new ATOM 0 HB3 ASP A 724 7.216 6.602 10.079 1.00 0.00 H new ATOM 12 N ILE A 725 8.028 4.134 8.039 1.00 0.00 N ATOM 13 CA ILE A 725 7.316 3.481 6.939 1.00 0.00 C ATOM 14 C ILE A 725 7.380 1.939 7.029 1.00 0.00 C ATOM 15 O ILE A 725 6.369 1.259 6.844 1.00 0.00 O ATOM 16 CB ILE A 725 7.869 3.961 5.559 1.00 0.00 C ATOM 17 CG1 ILE A 725 7.784 5.496 5.458 1.00 0.00 C ATOM 18 CG2 ILE A 725 7.101 3.312 4.401 1.00 0.00 C ATOM 19 CD1 ILE A 725 8.378 6.070 4.183 1.00 0.00 C ATOM 0 H ILE A 725 8.874 4.623 7.747 1.00 0.00 H new ATOM 0 HA ILE A 725 6.269 3.771 7.027 1.00 0.00 H new ATOM 0 HB ILE A 725 8.913 3.656 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 725 6.738 5.796 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 725 8.297 5.934 6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 725 7.507 3.664 3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 725 7.202 2.228 4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 725 6.047 3.582 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 725 8.278 7.155 4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 725 9.433 5.804 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 725 7.850 5.663 3.320 1.00 0.00 H new ATOM 31 N SER A 726 8.539 1.414 7.382 1.00 0.00 N ATOM 32 CA SER A 726 8.768 -0.005 7.348 1.00 0.00 C ATOM 33 C SER A 726 8.403 -0.617 8.686 1.00 0.00 C ATOM 34 O SER A 726 8.821 -0.136 9.748 1.00 0.00 O ATOM 35 CB SER A 726 10.246 -0.291 6.978 1.00 0.00 C ATOM 36 OG SER A 726 10.500 -1.678 6.750 1.00 0.00 O ATOM 0 H SER A 726 9.339 1.962 7.698 1.00 0.00 H new ATOM 0 HA SER A 726 8.136 -0.460 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 726 10.508 0.274 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 726 10.892 0.065 7.780 1.00 0.00 H new ATOM 0 HG SER A 726 11.444 -1.804 6.519 1.00 0.00 H new ATOM 42 N GLU A 727 7.577 -1.629 8.633 1.00 0.00 N ATOM 43 CA GLU A 727 7.134 -2.322 9.803 1.00 0.00 C ATOM 44 C GLU A 727 7.471 -3.840 9.811 1.00 0.00 C ATOM 45 O GLU A 727 8.578 -4.198 10.204 1.00 0.00 O ATOM 46 CB GLU A 727 5.674 -1.977 10.146 1.00 0.00 C ATOM 47 CG GLU A 727 5.519 -0.695 10.923 1.00 0.00 C ATOM 48 CD GLU A 727 4.079 -0.347 11.154 1.00 0.00 C ATOM 49 OE1 GLU A 727 3.451 -0.918 12.073 1.00 0.00 O ATOM 50 OE2 GLU A 727 3.533 0.505 10.408 1.00 0.00 O ATOM 0 H GLU A 727 7.191 -1.996 7.763 1.00 0.00 H new ATOM 0 HA GLU A 727 7.729 -1.945 10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 727 5.101 -1.902 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 727 5.243 -2.795 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 727 6.027 -0.789 11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 727 6.006 0.117 10.383 1.00 0.00 H new ATOM 57 N SER A 728 6.553 -4.717 9.374 1.00 0.00 N ATOM 58 CA SER A 728 6.780 -6.176 9.431 1.00 0.00 C ATOM 59 C SER A 728 8.047 -6.670 8.652 1.00 0.00 C ATOM 60 O SER A 728 9.059 -6.992 9.275 1.00 0.00 O ATOM 61 CB SER A 728 5.520 -6.898 8.982 1.00 0.00 C ATOM 62 OG SER A 728 4.408 -6.469 9.752 1.00 0.00 O ATOM 0 H SER A 728 5.652 -4.447 8.980 1.00 0.00 H new ATOM 0 HA SER A 728 6.998 -6.423 10.470 1.00 0.00 H new ATOM 0 HB2 SER A 728 5.337 -6.702 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 728 5.652 -7.975 9.089 1.00 0.00 H new ATOM 0 HG SER A 728 4.154 -5.562 9.483 1.00 0.00 H new ATOM 68 N LEU A 729 7.992 -6.664 7.294 1.00 0.00 N ATOM 69 CA LEU A 729 9.131 -7.065 6.422 1.00 0.00 C ATOM 70 C LEU A 729 8.641 -7.090 4.958 1.00 0.00 C ATOM 71 O LEU A 729 8.821 -6.129 4.240 1.00 0.00 O ATOM 72 CB LEU A 729 9.730 -8.458 6.802 1.00 0.00 C ATOM 73 CG LEU A 729 11.241 -8.716 6.501 1.00 0.00 C ATOM 74 CD1 LEU A 729 11.605 -8.542 5.028 1.00 0.00 C ATOM 75 CD2 LEU A 729 12.123 -7.835 7.376 1.00 0.00 C ATOM 0 H LEU A 729 7.161 -6.383 6.774 1.00 0.00 H new ATOM 0 HA LEU A 729 9.930 -6.336 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 729 9.572 -8.609 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 729 9.151 -9.222 6.283 1.00 0.00 H new ATOM 0 HG LEU A 729 11.424 -9.763 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 729 12.669 -8.736 4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 729 11.027 -9.243 4.425 1.00 0.00 H new ATOM 0 HD13 LEU A 729 11.379 -7.523 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 729 13.171 -8.031 7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 729 11.899 -6.787 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 729 11.931 -8.056 8.426 1.00 0.00 H new ATOM 87 N ARG A 730 7.968 -8.178 4.539 1.00 0.00 N ATOM 88 CA ARG A 730 7.464 -8.263 3.158 1.00 0.00 C ATOM 89 C ARG A 730 6.295 -7.336 2.907 1.00 0.00 C ATOM 90 O ARG A 730 6.225 -6.649 1.884 1.00 0.00 O ATOM 91 CB ARG A 730 7.179 -9.701 2.676 1.00 0.00 C ATOM 92 CG ARG A 730 6.912 -10.738 3.754 1.00 0.00 C ATOM 93 CD ARG A 730 6.686 -12.122 3.144 1.00 0.00 C ATOM 94 NE ARG A 730 6.632 -13.178 4.172 1.00 0.00 N ATOM 95 CZ ARG A 730 5.855 -14.280 4.123 1.00 0.00 C ATOM 96 NH1 ARG A 730 4.948 -14.431 3.158 1.00 0.00 N ATOM 97 NH2 ARG A 730 5.964 -15.211 5.071 1.00 0.00 N ATOM 0 H ARG A 730 7.765 -8.991 5.121 1.00 0.00 H new ATOM 0 HA ARG A 730 8.291 -7.912 2.540 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.317 -9.673 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.030 -10.037 2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.755 -10.775 4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 730 6.037 -10.446 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.755 -12.120 2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 730 7.488 -12.343 2.440 1.00 0.00 H new ATOM 0 HE ARG A 730 7.233 -13.066 4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 730 4.836 -13.709 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 730 4.366 -15.268 3.131 1.00 0.00 H new ATOM 0 HH21 ARG A 730 6.633 -15.089 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 730 5.378 -16.045 5.036 1.00 0.00 H new ATOM 111 N GLN A 731 5.392 -7.319 3.831 1.00 0.00 N ATOM 112 CA GLN A 731 4.262 -6.436 3.785 1.00 0.00 C ATOM 113 C GLN A 731 4.680 -5.109 4.344 1.00 0.00 C ATOM 114 O GLN A 731 4.612 -4.089 3.680 1.00 0.00 O ATOM 115 CB GLN A 731 3.138 -7.050 4.612 1.00 0.00 C ATOM 116 CG GLN A 731 1.980 -6.127 4.988 1.00 0.00 C ATOM 117 CD GLN A 731 1.288 -5.457 3.821 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.773 -4.390 3.956 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.191 -6.115 2.695 1.00 0.00 N ATOM 0 H GLN A 731 5.414 -7.924 4.652 1.00 0.00 H new ATOM 0 HA GLN A 731 3.907 -6.293 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.732 -7.897 4.059 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.569 -7.447 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.242 -6.704 5.545 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.355 -5.355 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.638 -7.027 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.668 -5.717 1.915 1.00 0.00 H new ATOM 128 N GLY A 732 5.221 -5.184 5.539 1.00 0.00 N ATOM 129 CA GLY A 732 5.629 -4.009 6.281 1.00 0.00 C ATOM 130 C GLY A 732 6.696 -3.171 5.599 1.00 0.00 C ATOM 131 O GLY A 732 6.932 -2.053 5.998 1.00 0.00 O ATOM 0 H GLY A 732 5.392 -6.064 6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 732 4.753 -3.385 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.000 -4.322 7.257 1.00 0.00 H new ATOM 135 N GLY A 733 7.348 -3.712 4.598 1.00 0.00 N ATOM 136 CA GLY A 733 8.378 -2.973 3.930 1.00 0.00 C ATOM 137 C GLY A 733 8.331 -3.149 2.449 1.00 0.00 C ATOM 138 O GLY A 733 9.330 -3.521 1.828 1.00 0.00 O ATOM 0 H GLY A 733 7.183 -4.651 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.278 -1.915 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.351 -3.294 4.301 1.00 0.00 H new ATOM 142 N GLY A 734 7.193 -2.904 1.870 1.00 0.00 N ATOM 143 CA GLY A 734 7.090 -3.037 0.457 1.00 0.00 C ATOM 144 C GLY A 734 5.805 -2.534 -0.084 1.00 0.00 C ATOM 145 O GLY A 734 5.774 -1.559 -0.829 1.00 0.00 O ATOM 0 H GLY A 734 6.340 -2.616 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.911 -2.496 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.204 -4.087 0.188 1.00 0.00 H new ATOM 149 N LYS A 735 4.734 -3.175 0.288 1.00 0.00 N ATOM 150 CA LYS A 735 3.451 -2.845 -0.276 1.00 0.00 C ATOM 151 C LYS A 735 2.357 -3.180 0.702 1.00 0.00 C ATOM 152 O LYS A 735 2.600 -3.940 1.598 1.00 0.00 O ATOM 153 CB LYS A 735 3.244 -3.608 -1.595 1.00 0.00 C ATOM 154 CG LYS A 735 2.770 -5.092 -1.504 1.00 0.00 C ATOM 155 CD LYS A 735 3.709 -6.040 -0.743 1.00 0.00 C ATOM 156 CE LYS A 735 5.015 -6.289 -1.480 1.00 0.00 C ATOM 157 NZ LYS A 735 5.850 -7.284 -0.779 1.00 0.00 N ATOM 0 H LYS A 735 4.720 -3.927 0.977 1.00 0.00 H new ATOM 0 HA LYS A 735 3.418 -1.775 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.515 -3.058 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.185 -3.589 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.792 -5.114 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.637 -5.475 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.925 -5.619 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.203 -6.991 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 735 4.803 -6.638 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.565 -5.353 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 6.780 -7.344 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.973 -6.997 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.386 -8.214 -0.815 1.00 0.00 H new ATOM 171 N LEU A 736 1.146 -2.660 0.502 1.00 0.00 N ATOM 172 CA LEU A 736 0.038 -2.982 1.427 1.00 0.00 C ATOM 173 C LEU A 736 -1.141 -3.491 0.634 1.00 0.00 C ATOM 174 O LEU A 736 -1.615 -2.838 -0.295 1.00 0.00 O ATOM 175 CB LEU A 736 -0.444 -1.776 2.224 1.00 0.00 C ATOM 176 CG LEU A 736 0.602 -0.813 2.795 1.00 0.00 C ATOM 177 CD1 LEU A 736 -0.081 0.435 3.296 1.00 0.00 C ATOM 178 CD2 LEU A 736 1.375 -1.451 3.927 1.00 0.00 C ATOM 0 H LEU A 736 0.902 -2.033 -0.264 1.00 0.00 H new ATOM 0 HA LEU A 736 0.424 -3.727 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.111 -1.199 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.043 -2.146 3.056 1.00 0.00 H new ATOM 0 HG LEU A 736 1.303 -0.562 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 736 0.664 1.119 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -0.607 0.918 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.795 0.171 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 736 2.109 -0.743 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 736 0.687 -1.729 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 736 1.886 -2.342 3.562 1.00 0.00 H new ATOM 190 N ASN A 737 -1.656 -4.628 1.009 1.00 0.00 N ATOM 191 CA ASN A 737 -2.786 -5.264 0.260 1.00 0.00 C ATOM 192 C ASN A 737 -3.769 -5.748 1.262 1.00 0.00 C ATOM 193 O ASN A 737 -3.396 -5.970 2.188 1.00 0.00 O ATOM 194 CB ASN A 737 -2.359 -6.475 -0.672 1.00 0.00 C ATOM 195 CG ASN A 737 -1.344 -6.209 -1.800 1.00 0.00 C ATOM 196 OD1 ASN A 737 -1.391 -6.848 -2.834 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.452 -5.317 -1.610 1.00 0.00 N ATOM 0 H ASN A 737 -1.337 -5.158 1.820 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.198 -4.508 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -1.948 -7.257 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.263 -6.878 -1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.242 -5.127 -2.333 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -0.432 -4.794 -0.735 1.00 0.00 H new ATOM 204 N PHE A 738 -5.036 -5.799 1.046 1.00 0.00 N ATOM 205 CA PHE A 738 -5.979 -6.350 2.065 1.00 0.00 C ATOM 206 C PHE A 738 -5.447 -7.676 2.650 1.00 0.00 C ATOM 207 O PHE A 738 -5.081 -7.714 3.820 1.00 0.00 O ATOM 208 CB PHE A 738 -7.324 -6.563 1.414 1.00 0.00 C ATOM 209 CG PHE A 738 -8.347 -7.186 2.294 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.821 -6.509 3.376 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.813 -8.457 2.043 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.751 -7.072 4.202 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.744 -9.034 2.864 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.215 -8.337 3.950 1.00 0.00 C ATOM 0 H PHE A 738 -5.482 -5.477 0.187 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.074 -5.642 2.889 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.701 -5.601 1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.191 -7.191 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.457 -5.514 3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.440 -9.004 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -10.121 -6.521 5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.106 -10.031 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.949 -8.785 4.604 1.00 0.00 H new ATOM 224 N ASP A 739 -5.293 -8.699 1.808 1.00 0.00 N ATOM 225 CA ASP A 739 -4.809 -10.034 2.262 1.00 0.00 C ATOM 226 C ASP A 739 -3.346 -9.945 2.713 1.00 0.00 C ATOM 227 O ASP A 739 -2.908 -10.661 3.608 1.00 0.00 O ATOM 228 CB ASP A 739 -4.872 -11.068 1.116 1.00 0.00 C ATOM 229 CG ASP A 739 -5.168 -12.489 1.593 1.00 0.00 C ATOM 230 OD1 ASP A 739 -4.397 -13.052 2.408 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.199 -13.063 1.161 1.00 0.00 O ATOM 0 H ASP A 739 -5.492 -8.644 0.809 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.453 -10.345 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -5.641 -10.764 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -3.923 -11.063 0.580 1.00 0.00 H new ATOM 236 N GLU A 740 -2.600 -9.034 2.132 1.00 0.00 N ATOM 237 CA GLU A 740 -1.191 -8.968 2.411 1.00 0.00 C ATOM 238 C GLU A 740 -0.961 -8.031 3.606 1.00 0.00 C ATOM 239 O GLU A 740 -0.119 -8.287 4.441 1.00 0.00 O ATOM 240 CB GLU A 740 -0.447 -8.507 1.149 1.00 0.00 C ATOM 241 CG GLU A 740 0.990 -8.972 0.989 1.00 0.00 C ATOM 242 CD GLU A 740 1.096 -10.439 0.618 1.00 0.00 C ATOM 243 OE1 GLU A 740 0.534 -10.853 -0.401 1.00 0.00 O ATOM 244 OE2 GLU A 740 1.781 -11.186 1.316 1.00 0.00 O ATOM 0 H GLU A 740 -2.943 -8.337 1.471 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.799 -9.949 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -1.012 -8.845 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.455 -7.417 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.478 -8.372 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.529 -8.798 1.920 1.00 0.00 H new ATOM 251 N LEU A 741 -1.769 -6.977 3.701 1.00 0.00 N ATOM 252 CA LEU A 741 -1.717 -5.991 4.792 1.00 0.00 C ATOM 253 C LEU A 741 -1.919 -6.687 6.092 1.00 0.00 C ATOM 254 O LEU A 741 -1.451 -6.251 7.106 1.00 0.00 O ATOM 255 CB LEU A 741 -2.816 -4.936 4.664 1.00 0.00 C ATOM 256 CG LEU A 741 -2.921 -3.978 5.818 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.052 -2.745 5.634 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.323 -3.641 6.072 1.00 0.00 C ATOM 0 H LEU A 741 -2.494 -6.776 3.012 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.744 -5.502 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.644 -4.364 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.773 -5.444 4.546 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.530 -4.479 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.166 -2.088 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.008 -3.046 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.357 -2.216 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.384 -2.947 6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.752 -3.177 5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -4.878 -4.548 6.311 1.00 0.00 H new ATOM 270 N ARG A 742 -2.647 -7.809 6.038 1.00 0.00 N ATOM 271 CA ARG A 742 -2.876 -8.626 7.191 1.00 0.00 C ATOM 272 C ARG A 742 -1.567 -9.030 7.722 1.00 0.00 C ATOM 273 O ARG A 742 -1.429 -9.036 8.775 1.00 0.00 O ATOM 274 CB ARG A 742 -3.655 -9.901 6.921 1.00 0.00 C ATOM 275 CG ARG A 742 -4.739 -9.834 5.893 1.00 0.00 C ATOM 276 CD ARG A 742 -5.957 -9.060 6.322 1.00 0.00 C ATOM 277 NE ARG A 742 -7.179 -9.592 5.684 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.866 -10.703 6.073 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.325 -11.585 6.908 1.00 0.00 N ATOM 280 NH2 ARG A 742 -9.029 -10.978 5.540 1.00 0.00 N ATOM 0 H ARG A 742 -3.085 -8.158 5.186 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.471 -8.025 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.947 -10.671 6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.100 -10.231 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.336 -9.381 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -5.041 -10.849 5.635 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.059 -9.108 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.835 -8.009 6.060 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.541 -9.081 4.879 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.382 -11.435 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -7.853 -12.411 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -9.424 -10.360 4.831 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.540 -11.810 5.833 1.00 0.00 H new ATOM 294 N GLN A 743 -0.589 -9.277 6.910 1.00 0.00 N ATOM 295 CA GLN A 743 0.746 -9.675 7.388 1.00 0.00 C ATOM 296 C GLN A 743 1.242 -8.678 8.413 1.00 0.00 C ATOM 297 O GLN A 743 1.917 -9.024 9.378 1.00 0.00 O ATOM 298 CB GLN A 743 1.696 -9.727 6.248 1.00 0.00 C ATOM 299 CG GLN A 743 2.536 -10.980 6.164 1.00 0.00 C ATOM 300 CD GLN A 743 2.782 -11.342 4.739 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.807 -11.864 4.397 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.797 -11.119 3.915 1.00 0.00 N ATOM 0 H GLN A 743 -0.668 -9.216 5.895 1.00 0.00 H new ATOM 0 HA GLN A 743 0.679 -10.662 7.846 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.132 -9.625 5.321 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.362 -8.867 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.486 -10.825 6.676 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.030 -11.800 6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 743 0.943 -10.672 4.250 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.880 -11.391 2.936 1.00 0.00 H new ATOM 311 N ASP A 744 0.819 -7.460 8.213 1.00 0.00 N ATOM 312 CA ASP A 744 1.127 -6.390 9.121 1.00 0.00 C ATOM 313 C ASP A 744 0.209 -6.448 10.336 1.00 0.00 C ATOM 314 O ASP A 744 0.658 -6.435 11.483 1.00 0.00 O ATOM 315 CB ASP A 744 0.992 -5.038 8.468 1.00 0.00 C ATOM 316 CG ASP A 744 2.138 -4.129 8.892 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.321 -4.430 8.556 1.00 0.00 O ATOM 318 OD2 ASP A 744 1.888 -3.134 9.607 1.00 0.00 O ATOM 0 H ASP A 744 0.250 -7.181 7.414 1.00 0.00 H new ATOM 0 HA ASP A 744 2.165 -6.521 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 744 0.989 -5.149 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 744 0.039 -4.586 8.745 1.00 0.00 H new ATOM 323 N LEU A 745 -1.085 -6.532 10.066 1.00 0.00 N ATOM 324 CA LEU A 745 -2.119 -6.551 11.084 1.00 0.00 C ATOM 325 C LEU A 745 -2.917 -7.875 11.153 1.00 0.00 C ATOM 326 O LEU A 745 -4.148 -7.867 11.221 1.00 0.00 O ATOM 327 CB LEU A 745 -3.017 -5.323 10.919 1.00 0.00 C ATOM 328 CG LEU A 745 -3.335 -4.856 9.498 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.325 -5.768 8.831 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.821 -3.422 9.540 1.00 0.00 C ATOM 0 H LEU A 745 -1.450 -6.590 9.115 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.624 -6.500 12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -3.961 -5.529 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.549 -4.493 11.447 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.428 -4.896 8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.529 -5.408 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -3.914 -6.776 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.251 -5.782 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.049 -3.085 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.719 -3.360 10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -3.045 -2.787 9.968 1.00 0.00 H new ATOM 342 N LYS A 746 -2.209 -9.000 11.087 1.00 0.00 N ATOM 343 CA LYS A 746 -2.835 -10.329 11.121 1.00 0.00 C ATOM 344 C LYS A 746 -3.625 -10.524 12.412 1.00 0.00 C ATOM 345 O LYS A 746 -3.064 -10.461 13.507 1.00 0.00 O ATOM 346 CB LYS A 746 -1.813 -11.510 10.948 1.00 0.00 C ATOM 347 CG LYS A 746 -1.202 -11.706 9.566 1.00 0.00 C ATOM 348 CD LYS A 746 -0.677 -13.121 9.380 1.00 0.00 C ATOM 349 CE LYS A 746 -0.104 -13.306 7.987 1.00 0.00 C ATOM 350 NZ LYS A 746 0.473 -14.645 7.784 1.00 0.00 N ATOM 0 H LYS A 746 -1.192 -9.022 11.009 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.507 -10.359 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -1.000 -11.360 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.315 -12.435 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.951 -11.492 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.389 -10.994 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.091 -13.329 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.482 -13.837 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.889 -13.138 7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.664 -12.553 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.850 -14.718 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 1.241 -14.799 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.264 -15.365 7.923 1.00 0.00 H new ATOM 364 N GLY A 747 -4.902 -10.766 12.278 1.00 0.00 N ATOM 365 CA GLY A 747 -5.750 -10.925 13.432 1.00 0.00 C ATOM 366 C GLY A 747 -6.365 -9.583 13.837 1.00 0.00 C ATOM 367 O GLY A 747 -5.697 -8.767 14.469 1.00 0.00 O ATOM 0 H GLY A 747 -5.379 -10.858 11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.541 -11.642 13.213 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.172 -11.332 14.262 1.00 0.00 H new ATOM 371 N LYS A 748 -7.634 -9.360 13.489 1.00 0.00 N ATOM 372 CA LYS A 748 -8.304 -8.059 13.735 1.00 0.00 C ATOM 373 C LYS A 748 -9.800 -8.129 13.428 1.00 0.00 C ATOM 374 O LYS A 748 -10.615 -7.486 14.097 1.00 0.00 O ATOM 375 CB LYS A 748 -7.664 -6.867 12.926 1.00 0.00 C ATOM 376 CG LYS A 748 -7.955 -6.874 11.422 1.00 0.00 C ATOM 377 CD LYS A 748 -7.362 -8.112 10.802 1.00 0.00 C ATOM 378 CE LYS A 748 -8.197 -8.621 9.704 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.745 -9.933 9.261 1.00 0.00 N ATOM 0 H LYS A 748 -8.227 -10.056 13.036 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.158 -7.858 14.796 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -8.025 -5.928 13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.584 -6.888 13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.031 -6.847 11.249 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.535 -5.983 10.955 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.363 -7.889 10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.251 -8.884 11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.235 -8.683 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.168 -7.922 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -8.321 -10.244 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.747 -9.878 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.844 -10.615 10.039 1.00 0.00 H new ATOM 393 N GLY A 749 -10.163 -8.923 12.440 1.00 0.00 N ATOM 394 CA GLY A 749 -11.527 -8.950 12.001 1.00 0.00 C ATOM 395 C GLY A 749 -12.054 -10.354 11.841 1.00 0.00 C ATOM 396 O GLY A 749 -11.269 -11.308 11.832 1.00 0.00 O ATOM 0 H GLY A 749 -9.534 -9.548 11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.147 -8.412 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.610 -8.424 11.050 1.00 0.00 H new ATOM 400 N HIS A 750 -13.350 -10.480 11.666 1.00 0.00 N ATOM 401 CA HIS A 750 -13.977 -11.785 11.497 1.00 0.00 C ATOM 402 C HIS A 750 -13.961 -12.234 10.037 1.00 0.00 C ATOM 403 O HIS A 750 -13.108 -13.039 9.637 1.00 0.00 O ATOM 404 CB HIS A 750 -15.402 -11.816 12.074 1.00 0.00 C ATOM 405 CG HIS A 750 -15.462 -11.782 13.576 1.00 0.00 C ATOM 406 ND1 HIS A 750 -15.612 -12.916 14.358 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.395 -10.748 14.444 1.00 0.00 C ATOM 408 CE1 HIS A 750 -15.630 -12.567 15.634 1.00 0.00 C ATOM 409 NE2 HIS A 750 -15.500 -11.267 15.708 1.00 0.00 N ATOM 0 H HIS A 750 -13.999 -9.694 11.636 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.381 -12.498 12.067 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -15.959 -10.966 11.680 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -15.904 -12.717 11.722 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.280 -9.705 14.188 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -15.734 -13.240 16.472 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -15.480 -10.725 16.572 1.00 0.00 H new ATOM 417 N THR A 751 -14.853 -11.709 9.227 1.00 0.00 N ATOM 418 CA THR A 751 -14.881 -12.097 7.834 1.00 0.00 C ATOM 419 C THR A 751 -14.179 -11.096 6.962 1.00 0.00 C ATOM 420 O THR A 751 -14.136 -9.897 7.287 1.00 0.00 O ATOM 421 CB THR A 751 -16.305 -12.356 7.302 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.247 -11.362 7.736 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.770 -13.757 7.617 1.00 0.00 C ATOM 0 H THR A 751 -15.557 -11.024 9.502 1.00 0.00 H new ATOM 0 HA THR A 751 -14.342 -13.043 7.788 1.00 0.00 H new ATOM 0 HB THR A 751 -16.254 -12.269 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.247 -11.317 8.715 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.777 -13.902 7.227 1.00 0.00 H new ATOM 0 HG22 THR A 751 -16.094 -14.477 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.775 -13.905 8.697 1.00 0.00 H new ATOM 431 N ASP A 752 -13.624 -11.578 5.855 1.00 0.00 N ATOM 432 CA ASP A 752 -12.919 -10.740 4.883 1.00 0.00 C ATOM 433 C ASP A 752 -13.818 -9.617 4.415 1.00 0.00 C ATOM 434 O ASP A 752 -13.380 -8.501 4.280 1.00 0.00 O ATOM 435 CB ASP A 752 -12.484 -11.566 3.647 1.00 0.00 C ATOM 436 CG ASP A 752 -11.501 -12.657 3.940 1.00 0.00 C ATOM 437 OD1 ASP A 752 -11.905 -13.704 4.492 1.00 0.00 O ATOM 438 OD2 ASP A 752 -10.313 -12.502 3.633 1.00 0.00 O ATOM 0 H ASP A 752 -13.649 -12.566 5.603 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.035 -10.336 5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.370 -12.007 3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -12.049 -10.891 2.910 1.00 0.00 H new ATOM 443 N ALA A 753 -15.097 -9.914 4.285 1.00 0.00 N ATOM 444 CA ALA A 753 -16.089 -8.971 3.804 1.00 0.00 C ATOM 445 C ALA A 753 -16.247 -7.787 4.719 1.00 0.00 C ATOM 446 O ALA A 753 -16.342 -6.667 4.259 1.00 0.00 O ATOM 447 CB ALA A 753 -17.408 -9.649 3.532 1.00 0.00 C ATOM 0 H ALA A 753 -15.482 -10.830 4.514 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.719 -8.580 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -18.128 -8.913 3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.271 -10.422 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.780 -10.103 4.451 1.00 0.00 H new ATOM 453 N GLU A 754 -16.279 -8.046 5.997 1.00 0.00 N ATOM 454 CA GLU A 754 -16.413 -7.022 7.011 1.00 0.00 C ATOM 455 C GLU A 754 -15.228 -6.091 7.012 1.00 0.00 C ATOM 456 O GLU A 754 -15.398 -4.883 7.054 1.00 0.00 O ATOM 457 CB GLU A 754 -16.536 -7.670 8.387 1.00 0.00 C ATOM 458 CG GLU A 754 -17.879 -8.268 8.726 1.00 0.00 C ATOM 459 CD GLU A 754 -17.837 -9.062 10.010 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.208 -10.155 10.030 1.00 0.00 O ATOM 461 OE2 GLU A 754 -18.472 -8.651 11.003 1.00 0.00 O ATOM 0 H GLU A 754 -16.212 -8.991 6.376 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.309 -6.445 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.783 -8.454 8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.295 -6.921 9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.618 -7.472 8.816 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.204 -8.914 7.911 1.00 0.00 H new ATOM 468 N ILE A 755 -14.060 -6.653 6.931 1.00 0.00 N ATOM 469 CA ILE A 755 -12.824 -5.896 7.005 1.00 0.00 C ATOM 470 C ILE A 755 -12.557 -5.185 5.684 1.00 0.00 C ATOM 471 O ILE A 755 -12.113 -4.039 5.657 1.00 0.00 O ATOM 472 CB ILE A 755 -11.676 -6.842 7.293 1.00 0.00 C ATOM 473 CG1 ILE A 755 -12.027 -7.710 8.489 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.416 -6.032 7.598 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.275 -9.000 8.498 1.00 0.00 C ATOM 0 H ILE A 755 -13.925 -7.657 6.811 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.913 -5.155 7.799 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.497 -7.477 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.814 -7.162 9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.097 -7.917 8.483 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.589 -6.711 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.167 -5.409 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.592 -5.398 8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.563 -9.583 9.373 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.508 -9.563 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.205 -8.797 8.533 1.00 0.00 H new ATOM 487 N GLU A 756 -12.871 -5.854 4.601 1.00 0.00 N ATOM 488 CA GLU A 756 -12.651 -5.329 3.272 1.00 0.00 C ATOM 489 C GLU A 756 -13.485 -4.057 3.051 1.00 0.00 C ATOM 490 O GLU A 756 -13.036 -3.126 2.451 1.00 0.00 O ATOM 491 CB GLU A 756 -12.954 -6.362 2.206 1.00 0.00 C ATOM 492 CG GLU A 756 -12.478 -5.959 0.820 1.00 0.00 C ATOM 493 CD GLU A 756 -12.878 -6.932 -0.233 1.00 0.00 C ATOM 494 OE1 GLU A 756 -14.096 -7.105 -0.465 1.00 0.00 O ATOM 495 OE2 GLU A 756 -11.990 -7.547 -0.853 1.00 0.00 O ATOM 0 H GLU A 756 -13.289 -6.784 4.615 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.595 -5.072 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.485 -7.306 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -14.029 -6.537 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.882 -4.977 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.392 -5.864 0.827 1.00 0.00 H new ATOM 502 N ALA A 757 -14.730 -4.095 3.452 1.00 0.00 N ATOM 503 CA ALA A 757 -15.630 -2.941 3.365 1.00 0.00 C ATOM 504 C ALA A 757 -15.235 -1.831 4.361 1.00 0.00 C ATOM 505 O ALA A 757 -15.097 -0.639 3.977 1.00 0.00 O ATOM 506 CB ALA A 757 -17.060 -3.378 3.634 1.00 0.00 C ATOM 0 H ALA A 757 -15.164 -4.926 3.853 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.548 -2.535 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.723 -2.515 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.358 -4.122 2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.127 -3.811 4.632 1.00 0.00 H new ATOM 512 N ILE A 758 -15.021 -2.218 5.622 1.00 0.00 N ATOM 513 CA ILE A 758 -14.759 -1.262 6.699 1.00 0.00 C ATOM 514 C ILE A 758 -13.558 -0.385 6.359 1.00 0.00 C ATOM 515 O ILE A 758 -13.621 0.840 6.485 1.00 0.00 O ATOM 516 CB ILE A 758 -14.591 -1.973 8.111 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.612 -0.980 9.291 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.331 -2.807 8.186 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.304 -0.273 9.565 1.00 0.00 C ATOM 0 H ILE A 758 -15.024 -3.193 5.922 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.634 -0.618 6.785 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.457 -2.628 8.200 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.378 -0.229 9.099 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.911 -1.517 10.191 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.261 -3.272 9.169 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.361 -3.581 7.419 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.462 -2.169 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.426 0.402 10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.534 -1.009 9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -13.008 0.299 8.686 1.00 0.00 H new ATOM 531 N PHE A 759 -12.489 -1.007 5.859 1.00 0.00 N ATOM 532 CA PHE A 759 -11.285 -0.289 5.552 1.00 0.00 C ATOM 533 C PHE A 759 -11.513 0.698 4.393 1.00 0.00 C ATOM 534 O PHE A 759 -10.974 1.748 4.370 1.00 0.00 O ATOM 535 CB PHE A 759 -10.099 -1.271 5.241 1.00 0.00 C ATOM 536 CG PHE A 759 -9.960 -1.783 3.792 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.623 -0.924 2.738 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.150 -3.103 3.498 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.505 -1.390 1.457 1.00 0.00 C ATOM 540 CE2 PHE A 759 -10.021 -3.568 2.202 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.707 -2.713 1.193 1.00 0.00 C ATOM 0 H PHE A 759 -12.448 -2.007 5.664 1.00 0.00 H new ATOM 0 HA PHE A 759 -11.008 0.290 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.169 -0.772 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.199 -2.137 5.896 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.454 0.123 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.405 -3.793 4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.252 -0.711 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.171 -4.616 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.617 -3.081 0.182 1.00 0.00 H new ATOM 551 N THR A 760 -12.375 0.374 3.503 1.00 0.00 N ATOM 552 CA THR A 760 -12.587 1.169 2.314 1.00 0.00 C ATOM 553 C THR A 760 -13.005 2.588 2.727 1.00 0.00 C ATOM 554 O THR A 760 -12.615 3.588 2.114 1.00 0.00 O ATOM 555 CB THR A 760 -13.653 0.499 1.416 1.00 0.00 C ATOM 556 OG1 THR A 760 -13.237 -0.845 1.084 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.847 1.251 0.136 1.00 0.00 C ATOM 0 H THR A 760 -12.967 -0.454 3.563 1.00 0.00 H new ATOM 0 HA THR A 760 -11.665 1.236 1.736 1.00 0.00 H new ATOM 0 HB THR A 760 -14.590 0.493 1.973 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.334 -1.421 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.603 0.751 -0.469 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.173 2.267 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.906 1.283 -0.413 1.00 0.00 H new ATOM 565 N LYS A 761 -13.761 2.643 3.797 1.00 0.00 N ATOM 566 CA LYS A 761 -14.204 3.894 4.341 1.00 0.00 C ATOM 567 C LYS A 761 -13.253 4.405 5.467 1.00 0.00 C ATOM 568 O LYS A 761 -12.797 5.545 5.427 1.00 0.00 O ATOM 569 CB LYS A 761 -15.623 3.732 4.856 1.00 0.00 C ATOM 570 CG LYS A 761 -16.551 4.853 4.503 1.00 0.00 C ATOM 571 CD LYS A 761 -16.856 4.835 3.015 1.00 0.00 C ATOM 572 CE LYS A 761 -17.753 5.983 2.613 1.00 0.00 C ATOM 573 NZ LYS A 761 -18.093 5.929 1.183 1.00 0.00 N ATOM 0 H LYS A 761 -14.083 1.822 4.310 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.185 4.647 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.033 2.802 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.592 3.633 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -17.476 4.761 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.101 5.807 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -15.924 4.887 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -17.334 3.891 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.667 5.956 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -17.257 6.928 2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -18.709 6.731 0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -17.222 5.979 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -18.588 5.038 0.977 1.00 0.00 H new ATOM 587 N TYR A 762 -12.899 3.538 6.410 1.00 0.00 N ATOM 588 CA TYR A 762 -12.091 3.948 7.594 1.00 0.00 C ATOM 589 C TYR A 762 -10.578 3.759 7.461 1.00 0.00 C ATOM 590 O TYR A 762 -9.826 4.299 8.263 1.00 0.00 O ATOM 591 CB TYR A 762 -12.537 3.215 8.837 1.00 0.00 C ATOM 592 CG TYR A 762 -13.781 3.741 9.491 1.00 0.00 C ATOM 593 CD1 TYR A 762 -13.714 4.848 10.316 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.003 3.110 9.336 1.00 0.00 C ATOM 595 CE1 TYR A 762 -14.825 5.320 10.966 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.127 3.582 9.979 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.030 4.684 10.797 1.00 0.00 C ATOM 598 OH TYR A 762 -17.146 5.142 11.470 1.00 0.00 O ATOM 0 H TYR A 762 -13.148 2.549 6.394 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.275 5.020 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -12.698 2.168 8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.726 3.244 9.565 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -12.768 5.351 10.451 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.077 2.237 8.704 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -14.753 6.186 11.607 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.078 3.090 9.842 1.00 0.00 H new ATOM 0 HH TYR A 762 -17.918 4.584 11.241 1.00 0.00 H new ATOM 608 N ASP A 763 -10.125 2.967 6.527 1.00 0.00 N ATOM 609 CA ASP A 763 -8.670 2.771 6.325 1.00 0.00 C ATOM 610 C ASP A 763 -8.024 4.055 5.900 1.00 0.00 C ATOM 611 O ASP A 763 -8.690 4.937 5.324 1.00 0.00 O ATOM 612 CB ASP A 763 -8.360 1.701 5.276 1.00 0.00 C ATOM 613 CG ASP A 763 -6.869 1.439 5.133 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.224 1.048 6.114 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.318 1.773 4.057 1.00 0.00 O ATOM 0 H ASP A 763 -10.718 2.440 5.886 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.270 2.438 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.864 0.774 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.765 2.013 4.313 1.00 0.00 H new ATOM 620 N GLN A 764 -6.754 4.167 6.186 1.00 0.00 N ATOM 621 CA GLN A 764 -5.972 5.300 5.813 1.00 0.00 C ATOM 622 C GLN A 764 -6.001 5.525 4.314 1.00 0.00 C ATOM 623 O GLN A 764 -6.217 6.655 3.863 1.00 0.00 O ATOM 624 CB GLN A 764 -4.547 5.148 6.324 1.00 0.00 C ATOM 625 CG GLN A 764 -4.451 5.196 7.841 1.00 0.00 C ATOM 626 CD GLN A 764 -3.085 4.831 8.377 1.00 0.00 C ATOM 627 OE1 GLN A 764 -2.976 4.308 9.480 1.00 0.00 O ATOM 628 NE2 GLN A 764 -2.043 5.097 7.628 1.00 0.00 N ATOM 0 H GLN A 764 -6.230 3.455 6.695 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.410 6.184 6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.139 4.202 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -3.929 5.940 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -4.708 6.199 8.181 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -5.191 4.517 8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -2.169 5.533 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.106 4.868 7.958 1.00 0.00 H new ATOM 637 N ASP A 765 -5.831 4.481 3.523 1.00 0.00 N ATOM 638 CA ASP A 765 -5.818 4.701 2.109 1.00 0.00 C ATOM 639 C ASP A 765 -7.063 4.198 1.424 1.00 0.00 C ATOM 640 O ASP A 765 -7.342 4.604 0.306 1.00 0.00 O ATOM 641 CB ASP A 765 -4.592 4.037 1.539 1.00 0.00 C ATOM 642 CG ASP A 765 -4.161 4.644 0.243 1.00 0.00 C ATOM 643 OD1 ASP A 765 -3.674 5.796 0.254 1.00 0.00 O ATOM 644 OD2 ASP A 765 -4.277 4.007 -0.800 1.00 0.00 O ATOM 0 H ASP A 765 -5.706 3.516 3.828 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.794 5.776 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -3.777 4.109 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.794 2.976 1.390 1.00 0.00 H new ATOM 649 N GLY A 766 -7.900 3.433 2.142 1.00 0.00 N ATOM 650 CA GLY A 766 -9.148 2.918 1.553 1.00 0.00 C ATOM 651 C GLY A 766 -8.908 2.160 0.253 1.00 0.00 C ATOM 652 O GLY A 766 -9.783 2.101 -0.620 1.00 0.00 O ATOM 0 H GLY A 766 -7.741 3.161 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.640 2.259 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.828 3.749 1.366 1.00 0.00 H new ATOM 656 N ASP A 767 -7.710 1.643 0.100 1.00 0.00 N ATOM 657 CA ASP A 767 -7.346 0.905 -1.092 1.00 0.00 C ATOM 658 C ASP A 767 -7.030 -0.512 -0.745 1.00 0.00 C ATOM 659 O ASP A 767 -7.702 -1.431 -1.225 1.00 0.00 O ATOM 660 CB ASP A 767 -6.179 1.553 -1.816 1.00 0.00 C ATOM 661 CG ASP A 767 -6.579 2.043 -3.181 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.902 1.213 -4.052 1.00 0.00 O ATOM 663 OD2 ASP A 767 -6.620 3.274 -3.402 1.00 0.00 O ATOM 0 H ASP A 767 -6.964 1.720 0.792 1.00 0.00 H new ATOM 0 HA ASP A 767 -8.200 0.920 -1.770 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.801 2.388 -1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.364 0.835 -1.911 1.00 0.00 H new ATOM 668 N GLN A 768 -5.980 -0.666 0.090 1.00 0.00 N ATOM 669 CA GLN A 768 -5.551 -1.927 0.717 1.00 0.00 C ATOM 670 C GLN A 768 -5.639 -3.117 -0.248 1.00 0.00 C ATOM 671 O GLN A 768 -6.613 -3.855 -0.224 1.00 0.00 O ATOM 672 CB GLN A 768 -6.414 -2.146 1.963 1.00 0.00 C ATOM 673 CG GLN A 768 -5.719 -2.641 3.166 1.00 0.00 C ATOM 674 CD GLN A 768 -6.677 -2.708 4.346 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.839 -1.752 5.083 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.265 -3.847 4.580 1.00 0.00 N ATOM 0 H GLN A 768 -5.386 0.120 0.354 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.499 -1.856 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.898 -1.202 2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.205 -2.853 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.303 -3.629 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.883 -1.984 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.117 -4.636 3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.874 -3.949 5.392 1.00 0.00 H new ATOM 685 N GLU A 769 -4.577 -3.301 -1.056 1.00 0.00 N ATOM 686 CA GLU A 769 -4.452 -4.378 -2.105 1.00 0.00 C ATOM 687 C GLU A 769 -3.443 -3.949 -3.212 1.00 0.00 C ATOM 688 O GLU A 769 -3.421 -4.524 -4.292 1.00 0.00 O ATOM 689 CB GLU A 769 -5.785 -4.791 -2.794 1.00 0.00 C ATOM 690 CG GLU A 769 -6.399 -3.800 -3.770 1.00 0.00 C ATOM 691 CD GLU A 769 -7.401 -4.477 -4.647 1.00 0.00 C ATOM 692 OE1 GLU A 769 -7.009 -5.103 -5.645 1.00 0.00 O ATOM 693 OE2 GLU A 769 -8.597 -4.432 -4.349 1.00 0.00 O ATOM 0 H GLU A 769 -3.754 -2.701 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.101 -5.250 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.615 -5.727 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.519 -4.996 -2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.878 -2.989 -3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -5.616 -3.352 -4.382 1.00 0.00 H new ATOM 700 N LEU A 770 -2.557 -3.013 -2.912 1.00 0.00 N ATOM 701 CA LEU A 770 -1.693 -2.441 -3.947 1.00 0.00 C ATOM 702 C LEU A 770 -0.224 -2.801 -3.712 1.00 0.00 C ATOM 703 O LEU A 770 0.277 -2.643 -2.591 1.00 0.00 O ATOM 704 CB LEU A 770 -1.848 -0.895 -4.024 1.00 0.00 C ATOM 705 CG LEU A 770 -3.045 -0.285 -4.783 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.372 -0.640 -4.135 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.897 1.223 -4.857 1.00 0.00 C ATOM 0 H LEU A 770 -2.414 -2.634 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 770 -2.009 -2.872 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -1.885 -0.520 -3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.939 -0.498 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 770 -3.045 -0.707 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.186 -0.189 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.493 -1.723 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.390 -0.262 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.746 1.646 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.864 1.635 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -1.975 1.473 -5.382 1.00 0.00 H new ATOM 719 N THR A 771 0.468 -3.303 -4.736 1.00 0.00 N ATOM 720 CA THR A 771 1.858 -3.639 -4.583 1.00 0.00 C ATOM 721 C THR A 771 2.747 -2.426 -4.870 1.00 0.00 C ATOM 722 O THR A 771 2.270 -1.402 -5.393 1.00 0.00 O ATOM 723 CB THR A 771 2.279 -4.835 -5.471 1.00 0.00 C ATOM 724 OG1 THR A 771 2.579 -4.426 -6.788 1.00 0.00 O ATOM 725 CG2 THR A 771 1.166 -5.835 -5.538 1.00 0.00 C ATOM 0 H THR A 771 0.082 -3.479 -5.664 1.00 0.00 H new ATOM 0 HA THR A 771 1.994 -3.942 -3.545 1.00 0.00 H new ATOM 0 HB THR A 771 3.170 -5.273 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 771 3.432 -4.820 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.468 -6.674 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.939 -6.194 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.280 -5.365 -5.964 1.00 0.00 H new ATOM 733 N GLU A 772 4.042 -2.539 -4.514 1.00 0.00 N ATOM 734 CA GLU A 772 5.036 -1.512 -4.749 1.00 0.00 C ATOM 735 C GLU A 772 5.089 -1.224 -6.240 1.00 0.00 C ATOM 736 O GLU A 772 5.298 -0.100 -6.638 1.00 0.00 O ATOM 737 CB GLU A 772 6.401 -1.996 -4.254 1.00 0.00 C ATOM 738 CG GLU A 772 7.463 -0.928 -4.023 1.00 0.00 C ATOM 739 CD GLU A 772 8.812 -1.563 -3.817 1.00 0.00 C ATOM 740 OE1 GLU A 772 9.353 -2.132 -4.789 1.00 0.00 O ATOM 741 OE2 GLU A 772 9.331 -1.583 -2.666 1.00 0.00 O ATOM 0 H GLU A 772 4.417 -3.366 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 772 4.774 -0.602 -4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.252 -2.536 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.791 -2.713 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 772 7.499 -0.252 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 772 7.200 -0.328 -3.152 1.00 0.00 H new ATOM 748 N HIS A 773 4.840 -2.269 -7.064 1.00 0.00 N ATOM 749 CA HIS A 773 4.869 -2.107 -8.524 1.00 0.00 C ATOM 750 C HIS A 773 3.736 -1.219 -8.950 1.00 0.00 C ATOM 751 O HIS A 773 3.919 -0.313 -9.750 1.00 0.00 O ATOM 752 CB HIS A 773 4.746 -3.450 -9.257 1.00 0.00 C ATOM 753 CG HIS A 773 5.712 -4.479 -8.808 1.00 0.00 C ATOM 754 ND1 HIS A 773 5.348 -5.562 -8.029 1.00 0.00 N ATOM 755 CD2 HIS A 773 7.030 -4.602 -9.027 1.00 0.00 C ATOM 756 CE1 HIS A 773 6.414 -6.304 -7.796 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.442 -5.743 -8.390 1.00 0.00 N ATOM 0 H HIS A 773 4.622 -3.213 -6.744 1.00 0.00 H new ATOM 0 HA HIS A 773 5.830 -1.664 -8.785 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.735 -3.834 -9.121 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.882 -3.282 -10.325 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.650 -3.928 -9.599 1.00 0.00 H new ATOM 0 HE1 HIS A 773 6.437 -7.215 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.397 -6.100 -8.379 1.00 0.00 H new ATOM 765 N GLU A 774 2.565 -1.434 -8.362 1.00 0.00 N ATOM 766 CA GLU A 774 1.387 -0.647 -8.749 1.00 0.00 C ATOM 767 C GLU A 774 1.505 0.784 -8.239 1.00 0.00 C ATOM 768 O GLU A 774 1.261 1.765 -8.967 1.00 0.00 O ATOM 769 CB GLU A 774 0.108 -1.292 -8.242 1.00 0.00 C ATOM 770 CG GLU A 774 -0.043 -2.729 -8.692 1.00 0.00 C ATOM 771 CD GLU A 774 -1.292 -3.354 -8.164 1.00 0.00 C ATOM 772 OE1 GLU A 774 -2.368 -3.181 -8.791 1.00 0.00 O ATOM 773 OE2 GLU A 774 -1.236 -4.016 -7.106 1.00 0.00 O ATOM 0 H GLU A 774 2.401 -2.128 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 774 1.343 -0.622 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 774 0.094 -1.254 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.748 -0.715 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.051 -2.769 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.820 -3.306 -8.358 1.00 0.00 H new ATOM 780 N HIS A 775 1.951 0.882 -7.020 1.00 0.00 N ATOM 781 CA HIS A 775 2.150 2.125 -6.310 1.00 0.00 C ATOM 782 C HIS A 775 3.233 2.964 -6.982 1.00 0.00 C ATOM 783 O HIS A 775 3.179 4.187 -6.959 1.00 0.00 O ATOM 784 CB HIS A 775 2.503 1.785 -4.862 1.00 0.00 C ATOM 785 CG HIS A 775 2.810 2.936 -3.973 1.00 0.00 C ATOM 786 ND1 HIS A 775 1.978 4.023 -3.817 1.00 0.00 N ATOM 787 CD2 HIS A 775 3.878 3.164 -3.198 1.00 0.00 C ATOM 788 CE1 HIS A 775 2.541 4.877 -2.972 1.00 0.00 C ATOM 789 NE2 HIS A 775 3.690 4.376 -2.589 1.00 0.00 N ATOM 0 H HIS A 775 2.199 0.064 -6.464 1.00 0.00 H new ATOM 0 HA HIS A 775 1.242 2.727 -6.328 1.00 0.00 H new ATOM 0 HB2 HIS A 775 1.672 1.230 -4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 775 3.364 1.117 -4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 775 4.730 2.512 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 775 2.125 5.822 -2.655 1.00 0.00 H new ATOM 0 HE2 HIS A 775 4.341 4.819 -1.940 1.00 0.00 H new ATOM 797 N GLN A 776 4.188 2.286 -7.587 1.00 0.00 N ATOM 798 CA GLN A 776 5.295 2.907 -8.287 1.00 0.00 C ATOM 799 C GLN A 776 4.821 3.759 -9.445 1.00 0.00 C ATOM 800 O GLN A 776 5.345 4.844 -9.695 1.00 0.00 O ATOM 801 CB GLN A 776 6.265 1.835 -8.791 1.00 0.00 C ATOM 802 CG GLN A 776 7.496 2.367 -9.502 1.00 0.00 C ATOM 803 CD GLN A 776 8.406 1.257 -9.966 1.00 0.00 C ATOM 804 OE1 GLN A 776 7.962 0.152 -10.272 1.00 0.00 O ATOM 805 NE2 GLN A 776 9.666 1.531 -10.038 1.00 0.00 N ATOM 0 H GLN A 776 4.217 1.267 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 776 5.807 3.561 -7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 776 6.587 1.230 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 776 5.729 1.172 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 776 7.189 2.966 -10.359 1.00 0.00 H new ATOM 0 HG3 GLN A 776 8.044 3.028 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 776 10.002 2.458 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 776 10.325 0.821 -10.356 1.00 0.00 H new ATOM 814 N GLN A 777 3.829 3.273 -10.122 1.00 0.00 N ATOM 815 CA GLN A 777 3.349 3.901 -11.329 1.00 0.00 C ATOM 816 C GLN A 777 2.334 4.997 -11.024 1.00 0.00 C ATOM 817 O GLN A 777 2.380 6.073 -11.601 1.00 0.00 O ATOM 818 CB GLN A 777 2.660 2.848 -12.192 1.00 0.00 C ATOM 819 CG GLN A 777 3.425 1.544 -12.364 1.00 0.00 C ATOM 820 CD GLN A 777 2.490 0.351 -12.515 1.00 0.00 C ATOM 821 OE1 GLN A 777 2.794 -0.620 -13.219 1.00 0.00 O ATOM 822 NE2 GLN A 777 1.381 0.379 -11.798 1.00 0.00 N ATOM 0 H GLN A 777 3.323 2.428 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 777 4.203 4.343 -11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 777 1.687 2.624 -11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 777 2.476 3.274 -13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 777 4.068 1.614 -13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 777 4.075 1.389 -11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 777 1.162 1.197 -11.229 1.00 0.00 H new ATOM 0 HE22 GLN A 777 0.743 -0.417 -11.814 1.00 0.00 H new ATOM 831 N MET A 778 1.432 4.716 -10.116 1.00 0.00 N ATOM 832 CA MET A 778 0.257 5.576 -9.944 1.00 0.00 C ATOM 833 C MET A 778 0.471 6.855 -9.132 1.00 0.00 C ATOM 834 O MET A 778 0.755 7.910 -9.719 1.00 0.00 O ATOM 835 CB MET A 778 -0.966 4.770 -9.511 1.00 0.00 C ATOM 836 CG MET A 778 -1.357 3.688 -10.520 1.00 0.00 C ATOM 837 SD MET A 778 -1.718 4.371 -12.156 1.00 0.00 S ATOM 838 CE MET A 778 -2.063 2.871 -13.077 1.00 0.00 C ATOM 0 H MET A 778 1.475 3.914 -9.487 1.00 0.00 H new ATOM 0 HA MET A 778 0.056 5.973 -10.939 1.00 0.00 H new ATOM 0 HB2 MET A 778 -0.764 4.304 -8.547 1.00 0.00 H new ATOM 0 HB3 MET A 778 -1.808 5.447 -9.368 1.00 0.00 H new ATOM 0 HG2 MET A 778 -0.548 2.962 -10.602 1.00 0.00 H new ATOM 0 HG3 MET A 778 -2.231 3.151 -10.152 1.00 0.00 H new ATOM 0 HE1 MET A 778 -2.304 3.125 -14.109 1.00 0.00 H new ATOM 0 HE2 MET A 778 -1.187 2.223 -13.058 1.00 0.00 H new ATOM 0 HE3 MET A 778 -2.908 2.352 -12.624 1.00 0.00 H new ATOM 848 N ARG A 779 0.365 6.799 -7.816 1.00 0.00 N ATOM 849 CA ARG A 779 0.441 8.002 -7.043 1.00 0.00 C ATOM 850 C ARG A 779 1.837 8.441 -6.775 1.00 0.00 C ATOM 851 O ARG A 779 2.804 7.743 -7.086 1.00 0.00 O ATOM 852 CB ARG A 779 -0.351 7.912 -5.772 1.00 0.00 C ATOM 853 CG ARG A 779 -1.835 8.065 -5.978 1.00 0.00 C ATOM 854 CD ARG A 779 -2.555 7.830 -4.691 1.00 0.00 C ATOM 855 NE ARG A 779 -2.355 6.461 -4.254 1.00 0.00 N ATOM 856 CZ ARG A 779 -2.746 5.976 -3.085 1.00 0.00 C ATOM 857 NH1 ARG A 779 -3.021 6.799 -2.089 1.00 0.00 N ATOM 858 NH2 ARG A 779 -2.787 4.666 -2.890 1.00 0.00 N ATOM 0 H ARG A 779 0.228 5.943 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 779 -0.014 8.773 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 779 -0.155 6.950 -5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 779 -0.006 8.683 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 779 -2.058 9.064 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 779 -2.181 7.358 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 779 -2.191 8.520 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 779 -3.619 8.028 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 779 -1.878 5.825 -4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 779 -2.932 7.807 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 779 -3.322 6.427 -1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 779 -2.517 4.030 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 779 -3.088 4.294 -1.989 1.00 0.00 H new ATOM 872 N ASP A 780 1.929 9.586 -6.184 1.00 0.00 N ATOM 873 CA ASP A 780 3.151 10.244 -5.954 1.00 0.00 C ATOM 874 C ASP A 780 3.161 10.767 -4.509 1.00 0.00 C ATOM 875 O ASP A 780 2.511 11.784 -4.201 1.00 0.00 O ATOM 876 CB ASP A 780 3.278 11.449 -6.883 1.00 0.00 C ATOM 877 CG ASP A 780 2.902 11.253 -8.334 1.00 0.00 C ATOM 878 OD1 ASP A 780 3.748 10.814 -9.140 1.00 0.00 O ATOM 879 OD2 ASP A 780 1.764 11.610 -8.714 1.00 0.00 O ATOM 0 H ASP A 780 1.118 10.100 -5.839 1.00 0.00 H new ATOM 0 HA ASP A 780 3.971 9.548 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 780 2.659 12.251 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 780 4.311 11.795 -6.847 1.00 0.00 H new ATOM 884 N ASP A 781 3.824 10.060 -3.615 1.00 0.00 N ATOM 885 CA ASP A 781 3.911 10.497 -2.200 1.00 0.00 C ATOM 886 C ASP A 781 5.063 11.454 -2.004 1.00 0.00 C ATOM 887 O ASP A 781 4.876 12.595 -1.612 1.00 0.00 O ATOM 888 CB ASP A 781 4.060 9.298 -1.242 1.00 0.00 C ATOM 889 CG ASP A 781 3.907 9.703 0.195 1.00 0.00 C ATOM 890 OD1 ASP A 781 2.769 9.989 0.624 1.00 0.00 O ATOM 891 OD2 ASP A 781 4.901 9.702 0.926 1.00 0.00 O ATOM 0 H ASP A 781 4.311 9.188 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 781 2.978 11.008 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 781 3.313 8.543 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 781 5.037 8.838 -1.387 1.00 0.00 H new ATOM 896 N LEU A 782 6.225 11.016 -2.378 1.00 0.00 N ATOM 897 CA LEU A 782 7.479 11.791 -2.142 1.00 0.00 C ATOM 898 C LEU A 782 7.612 12.908 -3.175 1.00 0.00 C ATOM 899 O LEU A 782 8.393 13.841 -2.997 1.00 0.00 O ATOM 900 CB LEU A 782 8.691 10.862 -2.231 1.00 0.00 C ATOM 901 CG LEU A 782 10.031 11.401 -1.718 1.00 0.00 C ATOM 902 CD1 LEU A 782 9.998 11.650 -0.216 1.00 0.00 C ATOM 903 CD2 LEU A 782 11.140 10.441 -2.074 1.00 0.00 C ATOM 0 H LEU A 782 6.368 10.125 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 782 7.435 12.232 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 782 8.460 9.952 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 782 8.820 10.576 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 782 10.218 12.360 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 782 10.965 12.032 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 782 9.223 12.381 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 782 9.782 10.716 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 782 12.090 10.830 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 782 10.943 9.472 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 782 11.189 10.327 -3.157 1.00 0.00 H new ATOM 915 N GLU A 783 6.860 12.792 -4.273 1.00 0.00 N ATOM 916 CA GLU A 783 6.828 13.823 -5.303 1.00 0.00 C ATOM 917 C GLU A 783 6.296 15.100 -4.714 1.00 0.00 C ATOM 918 O GLU A 783 6.715 16.196 -5.076 1.00 0.00 O ATOM 919 CB GLU A 783 5.843 13.464 -6.393 1.00 0.00 C ATOM 920 CG GLU A 783 5.906 14.401 -7.623 1.00 0.00 C ATOM 921 CD GLU A 783 7.226 14.332 -8.336 1.00 0.00 C ATOM 922 OE1 GLU A 783 7.431 13.397 -9.153 1.00 0.00 O ATOM 923 OE2 GLU A 783 8.075 15.210 -8.110 1.00 0.00 O ATOM 0 H GLU A 783 6.264 11.988 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 783 7.841 13.921 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 783 6.031 12.440 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 783 4.834 13.488 -5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 783 5.108 14.137 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 783 5.723 15.427 -7.303 1.00 0.00 H new ATOM 930 N LYS A 784 5.405 14.943 -3.748 1.00 0.00 N ATOM 931 CA LYS A 784 4.673 16.010 -3.215 1.00 0.00 C ATOM 932 C LYS A 784 4.508 15.861 -1.715 1.00 0.00 C ATOM 933 O LYS A 784 3.449 15.438 -1.221 1.00 0.00 O ATOM 934 CB LYS A 784 3.322 16.133 -3.898 1.00 0.00 C ATOM 935 CG LYS A 784 3.348 17.049 -5.092 1.00 0.00 C ATOM 936 CD LYS A 784 1.968 17.299 -5.625 1.00 0.00 C ATOM 937 CE LYS A 784 2.023 18.319 -6.731 1.00 0.00 C ATOM 938 NZ LYS A 784 0.687 18.657 -7.255 1.00 0.00 N ATOM 0 H LYS A 784 5.188 14.041 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 784 5.232 16.927 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 784 2.989 15.144 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 784 2.590 16.502 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 784 3.809 17.997 -4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 784 3.967 16.611 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 784 1.538 16.369 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 784 1.318 17.652 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 784 2.505 19.225 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 784 2.642 17.937 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 0.780 19.362 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 0.235 17.800 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 0.102 19.048 -6.489 1.00 0.00 H new ATOM 952 N GLU A 785 5.576 16.117 -1.023 1.00 0.00 N ATOM 953 CA GLU A 785 5.666 16.064 0.405 1.00 0.00 C ATOM 954 C GLU A 785 6.984 16.692 0.709 1.00 0.00 C ATOM 955 O GLU A 785 7.962 16.470 -0.029 1.00 0.00 O ATOM 956 CB GLU A 785 5.607 14.600 0.930 1.00 0.00 C ATOM 957 CG GLU A 785 5.381 14.455 2.437 1.00 0.00 C ATOM 958 CD GLU A 785 5.235 13.016 2.872 1.00 0.00 C ATOM 959 OE1 GLU A 785 6.252 12.352 3.166 1.00 0.00 O ATOM 960 OE2 GLU A 785 4.083 12.537 2.967 1.00 0.00 O ATOM 0 H GLU A 785 6.457 16.383 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 785 4.835 16.576 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 785 4.807 14.076 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 785 6.540 14.100 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 785 6.217 14.908 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 785 4.485 15.008 2.720 1.00 0.00 H new ATOM 967 N ARG A 786 7.031 17.479 1.716 1.00 0.00 N ATOM 968 CA ARG A 786 8.223 18.153 2.069 1.00 0.00 C ATOM 969 C ARG A 786 8.756 17.549 3.321 1.00 0.00 C ATOM 970 O ARG A 786 8.067 17.514 4.352 1.00 0.00 O ATOM 971 CB ARG A 786 7.936 19.608 2.352 1.00 0.00 C ATOM 972 CG ARG A 786 9.151 20.390 2.802 1.00 0.00 C ATOM 973 CD ARG A 786 8.728 21.717 3.348 1.00 0.00 C ATOM 974 NE ARG A 786 7.947 21.543 4.580 1.00 0.00 N ATOM 975 CZ ARG A 786 6.967 22.337 5.009 1.00 0.00 C ATOM 976 NH1 ARG A 786 6.686 23.460 4.370 1.00 0.00 N ATOM 977 NH2 ARG A 786 6.290 22.004 6.099 1.00 0.00 N ATOM 0 H ARG A 786 6.237 17.676 2.325 1.00 0.00 H new ATOM 0 HA ARG A 786 8.935 18.067 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 786 7.529 20.071 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 786 7.166 19.675 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 786 9.693 19.830 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 786 9.834 20.532 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 786 9.606 22.330 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 786 8.133 22.249 2.606 1.00 0.00 H new ATOM 0 HE ARG A 786 8.177 20.738 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 786 7.221 23.724 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 786 5.934 24.063 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 786 6.521 21.147 6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 786 5.538 22.605 6.436 1.00 0.00 H new ATOM 991 N GLU A 787 9.958 17.082 3.235 1.00 0.00 N ATOM 992 CA GLU A 787 10.627 16.471 4.336 1.00 0.00 C ATOM 993 C GLU A 787 11.438 17.495 5.081 1.00 0.00 C ATOM 994 O GLU A 787 11.898 18.479 4.482 1.00 0.00 O ATOM 995 CB GLU A 787 11.507 15.334 3.837 1.00 0.00 C ATOM 996 CG GLU A 787 10.710 14.150 3.323 1.00 0.00 C ATOM 997 CD GLU A 787 10.014 13.407 4.441 1.00 0.00 C ATOM 998 OE1 GLU A 787 9.180 13.995 5.170 1.00 0.00 O ATOM 999 OE2 GLU A 787 10.332 12.234 4.653 1.00 0.00 O ATOM 0 H GLU A 787 10.514 17.115 2.380 1.00 0.00 H new ATOM 0 HA GLU A 787 9.889 16.059 5.024 1.00 0.00 H new ATOM 0 HB2 GLU A 787 12.152 15.704 3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 787 12.158 15.003 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 787 9.969 14.497 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 787 11.375 13.468 2.793 1.00 0.00 H new ATOM 1006 N ASP A 788 11.594 17.293 6.363 1.00 0.00 N ATOM 1007 CA ASP A 788 12.385 18.198 7.172 1.00 0.00 C ATOM 1008 C ASP A 788 13.832 17.834 7.009 1.00 0.00 C ATOM 1009 O ASP A 788 14.152 16.707 6.587 1.00 0.00 O ATOM 1010 CB ASP A 788 11.969 18.069 8.645 1.00 0.00 C ATOM 1011 CG ASP A 788 12.713 18.980 9.600 1.00 0.00 C ATOM 1012 OD1 ASP A 788 12.479 20.203 9.585 1.00 0.00 O ATOM 1013 OD2 ASP A 788 13.537 18.491 10.391 1.00 0.00 O ATOM 0 H ASP A 788 11.186 16.511 6.875 1.00 0.00 H new ATOM 0 HA ASP A 788 12.225 19.229 6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 788 10.902 18.276 8.726 1.00 0.00 H new ATOM 0 HB3 ASP A 788 12.118 17.036 8.960 1.00 0.00 H new ATOM 1018 N LEU A 789 14.696 18.735 7.334 1.00 0.00 N ATOM 1019 CA LEU A 789 16.079 18.484 7.246 1.00 0.00 C ATOM 1020 C LEU A 789 16.533 18.057 8.622 1.00 0.00 C ATOM 1021 O LEU A 789 16.758 18.893 9.509 1.00 0.00 O ATOM 1022 CB LEU A 789 16.791 19.736 6.796 1.00 0.00 C ATOM 1023 CG LEU A 789 18.069 19.522 5.976 1.00 0.00 C ATOM 1024 CD1 LEU A 789 17.761 18.845 4.647 1.00 0.00 C ATOM 1025 CD2 LEU A 789 18.749 20.829 5.735 1.00 0.00 C ATOM 0 H LEU A 789 14.454 19.668 7.669 1.00 0.00 H new ATOM 0 HA LEU A 789 16.305 17.703 6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 789 16.097 20.332 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 789 17.043 20.325 7.678 1.00 0.00 H new ATOM 0 HG LEU A 789 18.731 18.871 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 789 18.686 18.706 4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 789 17.299 17.875 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 789 17.078 19.469 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 789 19.655 20.666 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 789 18.079 21.492 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 789 19.009 21.285 6.690 1.00 0.00 H new ATOM 1037 N ASP A 790 16.584 16.772 8.820 1.00 0.00 N ATOM 1038 CA ASP A 790 16.916 16.205 10.124 1.00 0.00 C ATOM 1039 C ASP A 790 18.390 15.848 10.117 1.00 0.00 C ATOM 1040 O ASP A 790 19.091 16.102 9.114 1.00 0.00 O ATOM 1041 CB ASP A 790 16.057 14.947 10.443 1.00 0.00 C ATOM 1042 CG ASP A 790 16.089 14.589 11.935 1.00 0.00 C ATOM 1043 OD1 ASP A 790 15.351 15.216 12.729 1.00 0.00 O ATOM 1044 OD2 ASP A 790 16.869 13.719 12.344 1.00 0.00 O ATOM 0 H ASP A 790 16.400 16.078 8.095 1.00 0.00 H new ATOM 0 HA ASP A 790 16.700 16.939 10.900 1.00 0.00 H new ATOM 0 HB2 ASP A 790 15.027 15.125 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 790 16.422 14.102 9.860 1.00 0.00 H new ATOM 1049 N LEU A 791 18.880 15.289 11.172 1.00 0.00 N ATOM 1050 CA LEU A 791 20.261 14.935 11.215 1.00 0.00 C ATOM 1051 C LEU A 791 20.413 13.404 11.274 1.00 0.00 C ATOM 1052 O LEU A 791 21.116 12.807 10.450 1.00 0.00 O ATOM 1053 CB LEU A 791 20.969 15.684 12.378 1.00 0.00 C ATOM 1054 CG LEU A 791 22.516 15.745 12.475 1.00 0.00 C ATOM 1055 CD1 LEU A 791 22.905 16.559 13.687 1.00 0.00 C ATOM 1056 CD2 LEU A 791 23.193 14.381 12.555 1.00 0.00 C ATOM 0 H LEU A 791 18.348 15.067 12.014 1.00 0.00 H new ATOM 0 HA LEU A 791 20.761 15.254 10.301 1.00 0.00 H new ATOM 0 HB2 LEU A 791 20.611 16.713 12.357 1.00 0.00 H new ATOM 0 HB3 LEU A 791 20.610 15.240 13.307 1.00 0.00 H new ATOM 0 HG LEU A 791 22.862 16.206 11.550 1.00 0.00 H new ATOM 0 HD11 LEU A 791 23.992 16.606 13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 791 22.504 17.568 13.591 1.00 0.00 H new ATOM 0 HD13 LEU A 791 22.500 16.091 14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 791 24.273 14.514 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 791 22.839 13.850 13.439 1.00 0.00 H new ATOM 0 HD23 LEU A 791 22.952 13.802 11.663 1.00 0.00 H new ATOM 1068 N ASP A 792 19.724 12.783 12.193 1.00 0.00 N ATOM 1069 CA ASP A 792 19.844 11.315 12.405 1.00 0.00 C ATOM 1070 C ASP A 792 18.600 10.727 13.073 1.00 0.00 C ATOM 1071 O ASP A 792 17.763 10.115 12.426 1.00 0.00 O ATOM 1072 CB ASP A 792 21.082 11.021 13.248 1.00 0.00 C ATOM 1073 CG ASP A 792 21.253 9.549 13.572 1.00 0.00 C ATOM 1074 OD1 ASP A 792 21.397 8.727 12.639 1.00 0.00 O ATOM 1075 OD2 ASP A 792 21.245 9.193 14.774 1.00 0.00 O ATOM 0 H ASP A 792 19.067 13.246 12.821 1.00 0.00 H new ATOM 0 HA ASP A 792 19.940 10.842 11.428 1.00 0.00 H new ATOM 0 HB2 ASP A 792 21.966 11.374 12.717 1.00 0.00 H new ATOM 0 HB3 ASP A 792 21.022 11.586 14.178 1.00 0.00 H new ATOM 1080 N HIS A 793 18.493 10.961 14.343 1.00 0.00 N ATOM 1081 CA HIS A 793 17.362 10.606 15.179 1.00 0.00 C ATOM 1082 C HIS A 793 17.203 11.829 16.058 1.00 0.00 C ATOM 1083 O HIS A 793 18.196 12.519 16.318 1.00 0.00 O ATOM 1084 CB HIS A 793 17.743 9.409 16.078 1.00 0.00 C ATOM 1085 CG HIS A 793 16.573 8.756 16.775 1.00 0.00 C ATOM 1086 ND1 HIS A 793 16.034 9.206 17.976 1.00 0.00 N ATOM 1087 CD2 HIS A 793 15.845 7.667 16.434 1.00 0.00 C ATOM 1088 CE1 HIS A 793 15.034 8.408 18.326 1.00 0.00 C ATOM 1089 NE2 HIS A 793 14.904 7.481 17.412 1.00 0.00 N ATOM 0 H HIS A 793 19.231 11.433 14.866 1.00 0.00 H new ATOM 0 HA HIS A 793 16.471 10.338 14.612 1.00 0.00 H new ATOM 0 HB2 HIS A 793 18.252 8.661 15.470 1.00 0.00 H new ATOM 0 HB3 HIS A 793 18.456 9.747 16.830 1.00 0.00 H new ATOM 0 HD2 HIS A 793 15.981 7.057 15.553 1.00 0.00 H new ATOM 0 HE1 HIS A 793 14.429 8.507 19.215 1.00 0.00 H new ATOM 0 HE2 HIS A 793 14.209 6.735 17.426 1.00 0.00 H new ATOM 1097 N SER A 794 16.030 12.087 16.538 1.00 0.00 N ATOM 1098 CA SER A 794 15.760 13.332 17.246 1.00 0.00 C ATOM 1099 C SER A 794 14.448 13.274 17.982 1.00 0.00 C ATOM 1100 O SER A 794 13.779 14.282 18.189 1.00 0.00 O ATOM 1101 CB SER A 794 15.707 14.465 16.216 1.00 0.00 C ATOM 1102 OG SER A 794 14.882 14.117 15.093 1.00 0.00 O ATOM 0 H SER A 794 15.229 11.460 16.461 1.00 0.00 H new ATOM 0 HA SER A 794 16.549 13.500 17.979 1.00 0.00 H new ATOM 0 HB2 SER A 794 15.320 15.369 16.687 1.00 0.00 H new ATOM 0 HB3 SER A 794 16.716 14.692 15.871 1.00 0.00 H new ATOM 0 HG SER A 794 14.983 14.793 14.391 1.00 0.00 H new ATOM 1108 N SER A 795 14.093 12.107 18.409 1.00 0.00 N ATOM 1109 CA SER A 795 12.980 11.988 19.280 1.00 0.00 C ATOM 1110 C SER A 795 13.535 11.996 20.713 1.00 0.00 C ATOM 1111 O SER A 795 14.026 10.974 21.205 1.00 0.00 O ATOM 1112 CB SER A 795 12.166 10.720 19.007 1.00 0.00 C ATOM 1113 OG SER A 795 10.986 10.687 19.784 1.00 0.00 O ATOM 0 H SER A 795 14.556 11.230 18.169 1.00 0.00 H new ATOM 0 HA SER A 795 12.290 12.817 19.123 1.00 0.00 H new ATOM 0 HB2 SER A 795 11.908 10.672 17.949 1.00 0.00 H new ATOM 0 HB3 SER A 795 12.773 9.842 19.227 1.00 0.00 H new ATOM 0 HG SER A 795 10.487 9.867 19.587 1.00 0.00 H new ATOM 1119 N LEU A 796 13.570 13.157 21.313 1.00 0.00 N ATOM 1120 CA LEU A 796 14.091 13.324 22.658 1.00 0.00 C ATOM 1121 C LEU A 796 13.214 14.303 23.399 1.00 0.00 C ATOM 1122 CB LEU A 796 15.568 13.813 22.656 1.00 0.00 C ATOM 1123 CG LEU A 796 16.258 13.877 24.020 1.00 0.00 C ATOM 1124 CD1 LEU A 796 16.392 12.488 24.617 1.00 0.00 C ATOM 1125 CD2 LEU A 796 17.621 14.540 23.899 1.00 0.00 C ATOM 0 H LEU A 796 13.238 14.022 20.886 1.00 0.00 H new ATOM 0 HA LEU A 796 14.080 12.355 23.157 1.00 0.00 H new ATOM 0 HB2 LEU A 796 16.147 13.153 22.009 1.00 0.00 H new ATOM 0 HB3 LEU A 796 15.600 14.806 22.209 1.00 0.00 H new ATOM 0 HG LEU A 796 15.641 14.479 24.688 1.00 0.00 H new ATOM 0 HD11 LEU A 796 16.885 12.555 25.587 1.00 0.00 H new ATOM 0 HD12 LEU A 796 15.402 12.049 24.743 1.00 0.00 H new ATOM 0 HD13 LEU A 796 16.985 11.861 23.951 1.00 0.00 H new ATOM 0 HD21 LEU A 796 18.096 14.576 24.879 1.00 0.00 H new ATOM 0 HD22 LEU A 796 18.245 13.966 23.214 1.00 0.00 H new ATOM 0 HD23 LEU A 796 17.500 15.554 23.517 1.00 0.00 H new TER 1137 LEU A 796