USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 873 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 100 MET CE :methyl -165:sc= -2.17 (180deg=-3.72!) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= -0.197 USER MOD Set 2.1: A 40 SER OG : rot 54:sc= 1.14 USER MOD Set 2.2: A 42 ASN : amide:sc= 0.46 K(o=1.6,f=0.71) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.459 (180deg=-1.06) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.06 (180deg=0.881) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.000414 X(o=-0.00041,f=-0.00041) USER MOD Single : A 15 ASN : amide:sc= -0.386 K(o=-0.39,f=-4.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 35 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 37 THR OG1 : rot 177:sc= 0.586 USER MOD Single : A 44 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.22) USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 0.605 (180deg=0.144) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.16) USER MOD Single : A 54 HIS : no HE2:sc= 0.131 K(o=0.13,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= 1.17 (180deg=-0.163) USER MOD Single : A 58 LYS NZ :NH3+ -118:sc= 1.24 (180deg=-0.22) USER MOD Single : A 62 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-1.9) USER MOD Single : A 63 CYS SG : rot 60:sc= -1.59 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -133:sc= -1.54 (180deg=-3.89!) USER MOD Single : A 77 HIS : no HE2:sc= -2.13 K(o=-1.6,f=-6.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.436 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 24:sc= 0.307 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 95 LYS NZ :NH3+ 142:sc= -0.461 (180deg=-2.24!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -24:sc= 0.593 USER MOD Single : A 106 CYS SG : rot -55:sc= -0.213 USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= 0.536 (180deg=0.506) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.779 15.109 -8.051 1.00 0.00 N ATOM 2 CA MET A 1 -6.318 15.080 -7.841 1.00 0.00 C ATOM 3 C MET A 1 -5.795 13.623 -7.734 1.00 0.00 C ATOM 4 O MET A 1 -5.358 13.057 -8.744 1.00 0.00 O ATOM 5 CB MET A 1 -5.954 15.950 -6.608 1.00 0.00 C ATOM 6 CG MET A 1 -4.449 16.068 -6.270 1.00 0.00 C ATOM 7 SD MET A 1 -3.897 14.837 -5.070 1.00 0.00 S ATOM 8 CE MET A 1 -4.875 15.285 -3.631 1.00 0.00 C ATOM 0 H1 MET A 1 -8.120 16.089 -7.984 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.002 14.729 -8.993 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.246 14.529 -7.325 1.00 0.00 H new ATOM 0 HA MET A 1 -5.816 15.511 -8.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.348 16.954 -6.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.469 15.542 -5.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.867 15.961 -7.186 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.247 17.065 -5.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.422 14.859 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.910 16.371 -3.538 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.888 14.898 -3.744 1.00 0.00 H new ATOM 20 N LEU A 2 -5.859 12.988 -6.531 1.00 0.00 N ATOM 21 CA LEU A 2 -5.200 11.665 -6.312 1.00 0.00 C ATOM 22 C LEU A 2 -6.084 10.474 -6.723 1.00 0.00 C ATOM 23 O LEU A 2 -5.599 9.350 -6.757 1.00 0.00 O ATOM 24 CB LEU A 2 -4.698 11.462 -4.852 1.00 0.00 C ATOM 25 CG LEU A 2 -5.699 10.890 -3.795 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.939 10.341 -2.573 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.741 11.937 -3.363 1.00 0.00 C ATOM 0 H LEU A 2 -6.347 13.358 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.331 11.689 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.835 10.796 -4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.343 12.425 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.241 10.071 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.652 9.947 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.267 9.544 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.360 11.143 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.416 11.497 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.234 12.795 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.313 12.261 -4.232 1.00 0.00 H new ATOM 39 N GLU A 3 -7.368 10.720 -7.021 1.00 0.00 N ATOM 40 CA GLU A 3 -8.345 9.647 -7.352 1.00 0.00 C ATOM 41 C GLU A 3 -7.957 8.879 -8.642 1.00 0.00 C ATOM 42 O GLU A 3 -8.403 7.755 -8.858 1.00 0.00 O ATOM 43 CB GLU A 3 -9.790 10.213 -7.468 1.00 0.00 C ATOM 44 CG GLU A 3 -9.952 11.438 -8.414 1.00 0.00 C ATOM 45 CD GLU A 3 -9.987 12.800 -7.690 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.133 13.050 -6.819 1.00 0.00 O ATOM 47 OE2 GLU A 3 -10.854 13.637 -8.001 1.00 0.00 O ATOM 0 H GLU A 3 -7.767 11.659 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.319 8.936 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.447 9.416 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.132 10.496 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.129 11.441 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.872 11.321 -8.987 1.00 0.00 H new ATOM 54 N ASP A 4 -7.121 9.501 -9.480 1.00 0.00 N ATOM 55 CA ASP A 4 -6.590 8.884 -10.712 1.00 0.00 C ATOM 56 C ASP A 4 -5.370 7.975 -10.407 1.00 0.00 C ATOM 57 O ASP A 4 -4.994 7.135 -11.224 1.00 0.00 O ATOM 58 CB ASP A 4 -6.229 10.000 -11.723 1.00 0.00 C ATOM 59 CG ASP A 4 -7.448 10.865 -12.108 1.00 0.00 C ATOM 60 OD1 ASP A 4 -7.834 11.753 -11.317 1.00 0.00 O ATOM 61 OD2 ASP A 4 -8.047 10.641 -13.186 1.00 0.00 O ATOM 0 H ASP A 4 -6.788 10.453 -9.326 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.355 8.243 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.456 10.638 -11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.809 9.549 -12.622 1.00 0.00 H new ATOM 66 N TYR A 5 -4.771 8.150 -9.214 1.00 0.00 N ATOM 67 CA TYR A 5 -3.685 7.283 -8.692 1.00 0.00 C ATOM 68 C TYR A 5 -4.268 5.993 -8.052 1.00 0.00 C ATOM 69 O TYR A 5 -3.508 5.163 -7.518 1.00 0.00 O ATOM 70 CB TYR A 5 -2.833 8.038 -7.626 1.00 0.00 C ATOM 71 CG TYR A 5 -2.056 9.278 -8.124 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.713 10.370 -8.704 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.666 9.369 -7.982 1.00 0.00 C ATOM 74 CE1 TYR A 5 -2.021 11.489 -9.118 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.030 10.488 -8.401 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.652 11.544 -8.966 1.00 0.00 C ATOM 77 OH TYR A 5 0.032 12.677 -9.365 1.00 0.00 O ATOM 0 H TYR A 5 -5.026 8.903 -8.575 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.049 7.013 -9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.494 8.350 -6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.118 7.335 -7.199 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.785 10.335 -8.830 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.126 8.547 -7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.550 12.320 -9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.103 10.534 -8.286 1.00 0.00 H new ATOM 0 HH TYR A 5 0.989 12.560 -9.191 1.00 0.00 H new ATOM 87 N ALA A 6 -5.621 5.862 -8.072 1.00 0.00 N ATOM 88 CA ALA A 6 -6.343 4.693 -7.532 1.00 0.00 C ATOM 89 C ALA A 6 -6.120 3.465 -8.420 1.00 0.00 C ATOM 90 O ALA A 6 -6.859 3.231 -9.381 1.00 0.00 O ATOM 91 CB ALA A 6 -7.846 4.999 -7.377 1.00 0.00 C ATOM 0 H ALA A 6 -6.239 6.571 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.944 4.472 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.356 4.123 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.978 5.838 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.268 5.253 -8.350 1.00 0.00 H new ATOM 97 N ILE A 7 -5.055 2.720 -8.120 1.00 0.00 N ATOM 98 CA ILE A 7 -4.712 1.496 -8.844 1.00 0.00 C ATOM 99 C ILE A 7 -5.630 0.348 -8.377 1.00 0.00 C ATOM 100 O ILE A 7 -5.929 0.224 -7.180 1.00 0.00 O ATOM 101 CB ILE A 7 -3.182 1.140 -8.693 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.313 2.337 -9.234 1.00 0.00 C ATOM 103 CG2 ILE A 7 -2.828 -0.183 -9.411 1.00 0.00 C ATOM 104 CD1 ILE A 7 -0.828 2.061 -9.421 1.00 0.00 C ATOM 0 H ILE A 7 -4.406 2.949 -7.367 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.879 1.655 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.961 0.988 -7.636 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.725 2.654 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.421 3.176 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.766 -0.393 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.413 -0.997 -8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.055 -0.093 -10.473 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.336 2.958 -9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.387 1.779 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.696 1.248 -10.135 1.00 0.00 H new ATOM 116 N SER A 8 -6.095 -0.457 -9.341 1.00 0.00 N ATOM 117 CA SER A 8 -7.075 -1.531 -9.120 1.00 0.00 C ATOM 118 C SER A 8 -6.392 -2.899 -9.225 1.00 0.00 C ATOM 119 O SER A 8 -5.505 -3.083 -10.060 1.00 0.00 O ATOM 120 CB SER A 8 -8.194 -1.403 -10.168 1.00 0.00 C ATOM 121 OG SER A 8 -8.801 -0.125 -10.101 1.00 0.00 O ATOM 0 H SER A 8 -5.796 -0.380 -10.313 1.00 0.00 H new ATOM 0 HA SER A 8 -7.502 -1.443 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.785 -1.565 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.944 -2.176 -10.002 1.00 0.00 H new ATOM 0 HG SER A 8 -9.509 -0.063 -10.776 1.00 0.00 H new ATOM 127 N LEU A 9 -6.835 -3.851 -8.385 1.00 0.00 N ATOM 128 CA LEU A 9 -6.268 -5.219 -8.310 1.00 0.00 C ATOM 129 C LEU A 9 -6.375 -5.980 -9.660 1.00 0.00 C ATOM 130 O LEU A 9 -5.528 -6.835 -9.966 1.00 0.00 O ATOM 131 CB LEU A 9 -6.952 -5.995 -7.148 1.00 0.00 C ATOM 132 CG LEU A 9 -6.569 -7.501 -6.957 1.00 0.00 C ATOM 133 CD1 LEU A 9 -5.038 -7.713 -6.873 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.267 -8.084 -5.715 1.00 0.00 C ATOM 0 H LEU A 9 -7.603 -3.696 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.201 -5.140 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.730 -5.471 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.030 -5.939 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.917 -8.035 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.824 -8.774 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.571 -7.361 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.639 -7.154 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.988 -9.131 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.960 -7.527 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.348 -8.007 -5.835 1.00 0.00 H new ATOM 146 N GLU A 10 -7.388 -5.622 -10.464 1.00 0.00 N ATOM 147 CA GLU A 10 -7.616 -6.209 -11.801 1.00 0.00 C ATOM 148 C GLU A 10 -6.393 -6.023 -12.742 1.00 0.00 C ATOM 149 O GLU A 10 -6.058 -6.921 -13.517 1.00 0.00 O ATOM 150 CB GLU A 10 -8.893 -5.594 -12.440 1.00 0.00 C ATOM 151 CG GLU A 10 -8.810 -4.075 -12.699 1.00 0.00 C ATOM 152 CD GLU A 10 -10.046 -3.482 -13.391 1.00 0.00 C ATOM 153 OE1 GLU A 10 -10.326 -3.871 -14.544 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.724 -2.611 -12.799 1.00 0.00 O ATOM 0 H GLU A 10 -8.077 -4.915 -10.207 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.757 -7.282 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.092 -6.101 -13.384 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.743 -5.793 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.661 -3.564 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.932 -3.870 -13.312 1.00 0.00 H new ATOM 161 N GLU A 11 -5.722 -4.858 -12.630 1.00 0.00 N ATOM 162 CA GLU A 11 -4.634 -4.451 -13.545 1.00 0.00 C ATOM 163 C GLU A 11 -3.373 -3.990 -12.785 1.00 0.00 C ATOM 164 O GLU A 11 -2.472 -3.391 -13.388 1.00 0.00 O ATOM 165 CB GLU A 11 -5.184 -3.332 -14.473 1.00 0.00 C ATOM 166 CG GLU A 11 -5.832 -2.119 -13.752 1.00 0.00 C ATOM 167 CD GLU A 11 -4.842 -1.047 -13.263 1.00 0.00 C ATOM 168 OE1 GLU A 11 -4.212 -0.377 -14.110 1.00 0.00 O ATOM 169 OE2 GLU A 11 -4.691 -0.868 -12.038 1.00 0.00 O ATOM 0 H GLU A 11 -5.919 -4.172 -11.902 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.320 -5.309 -14.139 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.367 -2.967 -15.096 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.924 -3.771 -15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.545 -1.651 -14.431 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.399 -2.485 -12.896 1.00 0.00 H new ATOM 176 N VAL A 12 -3.304 -4.272 -11.469 1.00 0.00 N ATOM 177 CA VAL A 12 -2.158 -3.861 -10.630 1.00 0.00 C ATOM 178 C VAL A 12 -0.889 -4.651 -11.015 1.00 0.00 C ATOM 179 O VAL A 12 -0.975 -5.762 -11.545 1.00 0.00 O ATOM 180 CB VAL A 12 -2.452 -4.048 -9.097 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.609 -5.532 -8.715 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.385 -3.350 -8.218 1.00 0.00 C ATOM 0 H VAL A 12 -4.028 -4.783 -10.963 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.994 -2.799 -10.815 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.408 -3.562 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.811 -5.613 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.437 -5.966 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.690 -6.068 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.624 -3.503 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.404 -3.773 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.375 -2.282 -8.437 1.00 0.00 H new ATOM 192 N ASN A 13 0.283 -4.050 -10.774 1.00 0.00 N ATOM 193 CA ASN A 13 1.581 -4.695 -11.006 1.00 0.00 C ATOM 194 C ASN A 13 2.477 -4.406 -9.792 1.00 0.00 C ATOM 195 O ASN A 13 3.277 -3.475 -9.827 1.00 0.00 O ATOM 196 CB ASN A 13 2.229 -4.163 -12.324 1.00 0.00 C ATOM 197 CG ASN A 13 1.321 -4.273 -13.556 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.323 -5.283 -14.261 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.522 -3.241 -13.813 1.00 0.00 N ATOM 0 H ASN A 13 0.358 -3.100 -10.411 1.00 0.00 H new ATOM 0 HA ASN A 13 1.454 -5.771 -11.122 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.508 -3.119 -12.183 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.149 -4.716 -12.513 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.111 -3.273 -14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.543 -2.418 -13.211 1.00 0.00 H new ATOM 206 N PHE A 14 2.299 -5.172 -8.690 1.00 0.00 N ATOM 207 CA PHE A 14 3.083 -4.969 -7.435 1.00 0.00 C ATOM 208 C PHE A 14 4.598 -5.088 -7.691 1.00 0.00 C ATOM 209 O PHE A 14 5.405 -4.393 -7.074 1.00 0.00 O ATOM 210 CB PHE A 14 2.664 -5.975 -6.332 1.00 0.00 C ATOM 211 CG PHE A 14 1.210 -5.851 -5.895 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.770 -4.726 -5.209 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.289 -6.855 -6.161 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.544 -4.612 -4.804 1.00 0.00 C ATOM 215 CE2 PHE A 14 -1.023 -6.743 -5.758 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.439 -5.619 -5.082 1.00 0.00 C ATOM 0 H PHE A 14 1.624 -5.935 -8.638 1.00 0.00 H new ATOM 0 HA PHE A 14 2.863 -3.959 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.838 -6.988 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.306 -5.833 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.466 -3.930 -4.990 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.607 -7.739 -6.693 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.870 -3.732 -4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.724 -7.536 -5.972 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.469 -5.527 -4.770 1.00 0.00 H new ATOM 226 N ASN A 15 4.940 -5.947 -8.661 1.00 0.00 N ATOM 227 CA ASN A 15 6.325 -6.213 -9.081 1.00 0.00 C ATOM 228 C ASN A 15 6.972 -4.962 -9.730 1.00 0.00 C ATOM 229 O ASN A 15 8.197 -4.870 -9.820 1.00 0.00 O ATOM 230 CB ASN A 15 6.349 -7.408 -10.083 1.00 0.00 C ATOM 231 CG ASN A 15 5.643 -8.687 -9.586 1.00 0.00 C ATOM 232 OD1 ASN A 15 4.663 -8.643 -8.838 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.115 -9.842 -10.033 1.00 0.00 N ATOM 0 H ASN A 15 4.251 -6.486 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 15 6.906 -6.466 -8.194 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.881 -7.091 -11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.387 -7.649 -10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.667 -10.716 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.927 -9.857 -10.651 1.00 0.00 H new ATOM 240 N ASP A 16 6.127 -4.003 -10.151 1.00 0.00 N ATOM 241 CA ASP A 16 6.551 -2.767 -10.843 1.00 0.00 C ATOM 242 C ASP A 16 6.762 -1.603 -9.847 1.00 0.00 C ATOM 243 O ASP A 16 7.548 -0.692 -10.118 1.00 0.00 O ATOM 244 CB ASP A 16 5.488 -2.372 -11.912 1.00 0.00 C ATOM 245 CG ASP A 16 5.948 -1.262 -12.878 1.00 0.00 C ATOM 246 OD1 ASP A 16 6.887 -1.501 -13.664 1.00 0.00 O ATOM 247 OD2 ASP A 16 5.358 -0.162 -12.881 1.00 0.00 O ATOM 0 H ASP A 16 5.117 -4.063 -10.020 1.00 0.00 H new ATOM 0 HA ASP A 16 7.506 -2.962 -11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.225 -3.257 -12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.582 -2.043 -11.403 1.00 0.00 H new ATOM 252 N PHE A 17 6.056 -1.629 -8.689 1.00 0.00 N ATOM 253 CA PHE A 17 6.085 -0.504 -7.707 1.00 0.00 C ATOM 254 C PHE A 17 6.722 -0.969 -6.385 1.00 0.00 C ATOM 255 O PHE A 17 6.658 -2.153 -6.045 1.00 0.00 O ATOM 256 CB PHE A 17 4.645 0.052 -7.414 1.00 0.00 C ATOM 257 CG PHE A 17 3.675 0.016 -8.599 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.895 0.793 -9.720 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.553 -0.808 -8.593 1.00 0.00 C ATOM 260 CE1 PHE A 17 3.038 0.755 -10.796 1.00 0.00 C ATOM 261 CE2 PHE A 17 1.685 -0.846 -9.669 1.00 0.00 C ATOM 262 CZ PHE A 17 1.933 -0.067 -10.774 1.00 0.00 C ATOM 0 H PHE A 17 5.462 -2.409 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 17 6.680 0.295 -8.149 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.212 -0.521 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.734 1.082 -7.070 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.757 1.443 -9.752 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.357 -1.429 -7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.233 1.372 -11.661 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.815 -1.486 -9.641 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.264 -0.099 -11.621 1.00 0.00 H new ATOM 272 N ILE A 18 7.339 -0.032 -5.652 1.00 0.00 N ATOM 273 CA ILE A 18 7.792 -0.260 -4.266 1.00 0.00 C ATOM 274 C ILE A 18 6.559 -0.173 -3.357 1.00 0.00 C ATOM 275 O ILE A 18 6.063 0.918 -3.083 1.00 0.00 O ATOM 276 CB ILE A 18 8.867 0.802 -3.821 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.042 0.856 -4.854 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.379 0.504 -2.385 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.048 1.966 -4.625 1.00 0.00 C ATOM 0 H ILE A 18 7.540 0.906 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 18 8.266 -1.239 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 18 8.397 1.785 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.567 -0.099 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.622 0.968 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.120 1.251 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.543 0.538 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.834 -0.486 -2.359 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.822 1.919 -5.391 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.543 2.931 -4.677 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.503 1.847 -3.642 1.00 0.00 H new ATOM 291 N VAL A 19 6.055 -1.320 -2.906 1.00 0.00 N ATOM 292 CA VAL A 19 4.745 -1.393 -2.246 1.00 0.00 C ATOM 293 C VAL A 19 4.905 -1.094 -0.738 1.00 0.00 C ATOM 294 O VAL A 19 5.981 -1.301 -0.165 1.00 0.00 O ATOM 295 CB VAL A 19 4.074 -2.806 -2.505 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.607 -2.847 -2.036 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.168 -3.202 -3.999 1.00 0.00 C ATOM 0 H VAL A 19 6.533 -2.217 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 19 4.080 -0.640 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 19 4.632 -3.531 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.189 -3.834 -2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.561 -2.641 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.031 -2.095 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.700 -4.175 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.655 -2.456 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.215 -3.254 -4.296 1.00 0.00 H new ATOM 307 N VAL A 20 3.851 -0.543 -0.124 1.00 0.00 N ATOM 308 CA VAL A 20 3.763 -0.319 1.330 1.00 0.00 C ATOM 309 C VAL A 20 2.463 -0.940 1.835 1.00 0.00 C ATOM 310 O VAL A 20 1.392 -0.685 1.273 1.00 0.00 O ATOM 311 CB VAL A 20 3.794 1.215 1.717 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.609 1.438 3.241 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.097 1.883 1.236 1.00 0.00 C ATOM 0 H VAL A 20 3.020 -0.234 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 20 4.634 -0.782 1.794 1.00 0.00 H new ATOM 0 HB VAL A 20 2.951 1.683 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.637 2.506 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.649 1.029 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.411 0.936 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.091 2.936 1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.951 1.390 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.172 1.796 0.152 1.00 0.00 H new ATOM 323 N ASP A 21 2.563 -1.775 2.874 1.00 0.00 N ATOM 324 CA ASP A 21 1.396 -2.302 3.585 1.00 0.00 C ATOM 325 C ASP A 21 0.950 -1.226 4.581 1.00 0.00 C ATOM 326 O ASP A 21 1.596 -1.079 5.613 1.00 0.00 O ATOM 327 CB ASP A 21 1.796 -3.626 4.320 1.00 0.00 C ATOM 328 CG ASP A 21 0.594 -4.411 4.883 1.00 0.00 C ATOM 329 OD1 ASP A 21 0.143 -4.128 6.006 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.091 -5.321 4.180 1.00 0.00 O ATOM 0 H ASP A 21 3.455 -2.104 3.245 1.00 0.00 H new ATOM 0 HA ASP A 21 0.578 -2.535 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.343 -4.265 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.477 -3.386 5.137 1.00 0.00 H new ATOM 335 N VAL A 22 -0.120 -0.452 4.254 1.00 0.00 N ATOM 336 CA VAL A 22 -0.636 0.621 5.144 1.00 0.00 C ATOM 337 C VAL A 22 -1.799 0.086 5.973 1.00 0.00 C ATOM 338 O VAL A 22 -2.987 0.285 5.662 1.00 0.00 O ATOM 339 CB VAL A 22 -1.051 1.938 4.370 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.200 2.680 3.855 1.00 0.00 C ATOM 341 CG2 VAL A 22 -2.036 1.634 3.206 1.00 0.00 C ATOM 0 H VAL A 22 -0.640 -0.552 3.382 1.00 0.00 H new ATOM 0 HA VAL A 22 0.183 0.912 5.802 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.572 2.587 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.105 3.583 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.835 2.951 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.754 2.031 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.298 2.563 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.563 0.954 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.939 1.172 3.605 1.00 0.00 H new ATOM 351 N ARG A 23 -1.446 -0.617 7.045 1.00 0.00 N ATOM 352 CA ARG A 23 -2.423 -1.296 7.893 1.00 0.00 C ATOM 353 C ARG A 23 -1.935 -1.284 9.349 1.00 0.00 C ATOM 354 O ARG A 23 -2.258 -0.349 10.085 1.00 0.00 O ATOM 355 CB ARG A 23 -2.714 -2.737 7.371 1.00 0.00 C ATOM 356 CG ARG A 23 -3.414 -2.830 5.989 1.00 0.00 C ATOM 357 CD ARG A 23 -3.860 -4.256 5.638 1.00 0.00 C ATOM 358 NE ARG A 23 -2.730 -5.194 5.523 1.00 0.00 N ATOM 359 CZ ARG A 23 -2.792 -6.514 5.745 1.00 0.00 C ATOM 360 NH1 ARG A 23 -3.876 -7.081 6.278 1.00 0.00 N ATOM 361 NH2 ARG A 23 -1.727 -7.251 5.494 1.00 0.00 N ATOM 0 H ARG A 23 -0.480 -0.732 7.350 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.372 -0.761 7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.770 -3.280 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.334 -3.250 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.283 -2.172 5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.734 -2.468 5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.549 -4.615 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.410 -4.239 4.697 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.826 -4.807 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.682 -6.507 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.899 -8.088 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.877 -6.814 5.138 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.754 -8.258 5.656 1.00 0.00 H new ATOM 375 N GLU A 24 -1.109 -2.279 9.740 1.00 0.00 N ATOM 376 CA GLU A 24 -0.642 -2.443 11.143 1.00 0.00 C ATOM 377 C GLU A 24 0.342 -3.637 11.216 1.00 0.00 C ATOM 378 O GLU A 24 0.423 -4.439 10.276 1.00 0.00 O ATOM 379 CB GLU A 24 -1.877 -2.664 12.116 1.00 0.00 C ATOM 380 CG GLU A 24 -1.804 -1.950 13.491 1.00 0.00 C ATOM 381 CD GLU A 24 -0.722 -2.510 14.428 1.00 0.00 C ATOM 382 OE1 GLU A 24 -0.903 -3.629 14.943 1.00 0.00 O ATOM 383 OE2 GLU A 24 0.327 -1.850 14.627 1.00 0.00 O ATOM 0 H GLU A 24 -0.747 -2.988 9.102 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.126 -1.538 11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.780 -2.330 11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.987 -3.734 12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.616 -0.889 13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.773 -2.030 13.983 1.00 0.00 H new ATOM 390 N LEU A 25 1.094 -3.727 12.333 1.00 0.00 N ATOM 391 CA LEU A 25 1.930 -4.889 12.674 1.00 0.00 C ATOM 392 C LEU A 25 1.092 -6.183 12.713 1.00 0.00 C ATOM 393 O LEU A 25 1.512 -7.184 12.156 1.00 0.00 O ATOM 394 CB LEU A 25 2.640 -4.651 14.040 1.00 0.00 C ATOM 395 CG LEU A 25 3.454 -5.853 14.641 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.561 -6.345 13.678 1.00 0.00 C ATOM 397 CD2 LEU A 25 4.055 -5.470 16.017 1.00 0.00 C ATOM 0 H LEU A 25 1.136 -2.983 13.030 1.00 0.00 H new ATOM 0 HA LEU A 25 2.688 -5.008 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.319 -3.806 13.926 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.884 -4.357 14.768 1.00 0.00 H new ATOM 0 HG LEU A 25 2.757 -6.680 14.780 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.098 -7.176 14.135 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.109 -6.675 12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.257 -5.531 13.477 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.615 -6.315 16.417 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.722 -4.616 15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.251 -5.209 16.705 1.00 0.00 H new ATOM 409 N ASP A 26 -0.095 -6.137 13.350 1.00 0.00 N ATOM 410 CA ASP A 26 -0.999 -7.310 13.466 1.00 0.00 C ATOM 411 C ASP A 26 -1.428 -7.811 12.076 1.00 0.00 C ATOM 412 O ASP A 26 -1.373 -9.016 11.777 1.00 0.00 O ATOM 413 CB ASP A 26 -2.249 -6.962 14.322 1.00 0.00 C ATOM 414 CG ASP A 26 -3.191 -8.170 14.545 1.00 0.00 C ATOM 415 OD1 ASP A 26 -2.950 -8.962 15.483 1.00 0.00 O ATOM 416 OD2 ASP A 26 -4.161 -8.344 13.780 1.00 0.00 O ATOM 0 H ASP A 26 -0.457 -5.295 13.797 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.449 -8.108 13.966 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.924 -6.580 15.290 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.805 -6.162 13.833 1.00 0.00 H new ATOM 421 N GLU A 27 -1.809 -6.845 11.240 1.00 0.00 N ATOM 422 CA GLU A 27 -2.224 -7.062 9.848 1.00 0.00 C ATOM 423 C GLU A 27 -1.074 -7.697 9.019 1.00 0.00 C ATOM 424 O GLU A 27 -1.319 -8.490 8.110 1.00 0.00 O ATOM 425 CB GLU A 27 -2.612 -5.697 9.248 1.00 0.00 C ATOM 426 CG GLU A 27 -3.733 -4.937 9.987 1.00 0.00 C ATOM 427 CD GLU A 27 -5.131 -5.489 9.704 1.00 0.00 C ATOM 428 OE1 GLU A 27 -5.625 -5.331 8.552 1.00 0.00 O ATOM 429 OE2 GLU A 27 -5.751 -6.069 10.618 1.00 0.00 O ATOM 0 H GLU A 27 -1.839 -5.864 11.516 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.071 -7.748 9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.724 -5.065 9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.922 -5.850 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.544 -4.979 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.700 -3.886 9.699 1.00 0.00 H new ATOM 436 N TYR A 28 0.166 -7.306 9.363 1.00 0.00 N ATOM 437 CA TYR A 28 1.401 -7.869 8.790 1.00 0.00 C ATOM 438 C TYR A 28 1.584 -9.336 9.228 1.00 0.00 C ATOM 439 O TYR A 28 1.926 -10.194 8.403 1.00 0.00 O ATOM 440 CB TYR A 28 2.620 -6.998 9.237 1.00 0.00 C ATOM 441 CG TYR A 28 4.017 -7.607 8.981 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.642 -8.430 9.934 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.703 -7.366 7.797 1.00 0.00 C ATOM 444 CE1 TYR A 28 5.880 -8.985 9.700 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.943 -7.915 7.570 1.00 0.00 C ATOM 446 CZ TYR A 28 6.524 -8.724 8.515 1.00 0.00 C ATOM 447 OH TYR A 28 7.753 -9.284 8.259 1.00 0.00 O ATOM 0 H TYR A 28 0.340 -6.579 10.057 1.00 0.00 H new ATOM 0 HA TYR A 28 1.333 -7.855 7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.564 -6.039 8.723 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.524 -6.794 10.303 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.141 -8.631 10.869 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.255 -6.737 7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.341 -9.620 10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.462 -7.709 6.645 1.00 0.00 H new ATOM 0 HH TYR A 28 8.066 -8.997 7.376 1.00 0.00 H new ATOM 457 N GLU A 29 1.361 -9.595 10.541 1.00 0.00 N ATOM 458 CA GLU A 29 1.629 -10.911 11.181 1.00 0.00 C ATOM 459 C GLU A 29 0.830 -12.034 10.516 1.00 0.00 C ATOM 460 O GLU A 29 1.314 -13.170 10.387 1.00 0.00 O ATOM 461 CB GLU A 29 1.304 -10.892 12.706 1.00 0.00 C ATOM 462 CG GLU A 29 2.122 -9.899 13.550 1.00 0.00 C ATOM 463 CD GLU A 29 1.758 -9.953 15.042 1.00 0.00 C ATOM 464 OE1 GLU A 29 0.705 -9.413 15.430 1.00 0.00 O ATOM 465 OE2 GLU A 29 2.516 -10.557 15.834 1.00 0.00 O ATOM 0 H GLU A 29 0.990 -8.898 11.187 1.00 0.00 H new ATOM 0 HA GLU A 29 2.694 -11.102 11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.246 -10.661 12.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.460 -11.894 13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.184 -10.115 13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.958 -8.888 13.176 1.00 0.00 H new ATOM 472 N GLU A 30 -0.398 -11.702 10.132 1.00 0.00 N ATOM 473 CA GLU A 30 -1.321 -12.648 9.500 1.00 0.00 C ATOM 474 C GLU A 30 -0.998 -12.862 7.996 1.00 0.00 C ATOM 475 O GLU A 30 -0.951 -14.015 7.540 1.00 0.00 O ATOM 476 CB GLU A 30 -2.780 -12.199 9.747 1.00 0.00 C ATOM 477 CG GLU A 30 -3.078 -10.733 9.439 1.00 0.00 C ATOM 478 CD GLU A 30 -4.552 -10.375 9.615 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.381 -10.922 8.862 1.00 0.00 O ATOM 480 OE2 GLU A 30 -4.895 -9.559 10.492 1.00 0.00 O ATOM 0 H GLU A 30 -0.786 -10.766 10.249 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.192 -13.627 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.440 -12.821 9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.029 -12.391 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.476 -10.101 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.776 -10.514 8.415 1.00 0.00 H new ATOM 487 N LEU A 31 -0.761 -11.758 7.240 1.00 0.00 N ATOM 488 CA LEU A 31 -0.366 -11.818 5.801 1.00 0.00 C ATOM 489 C LEU A 31 0.124 -10.454 5.293 1.00 0.00 C ATOM 490 O LEU A 31 -0.175 -9.438 5.907 1.00 0.00 O ATOM 491 CB LEU A 31 -1.508 -12.386 4.866 1.00 0.00 C ATOM 492 CG LEU A 31 -2.860 -11.584 4.617 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.565 -11.147 5.908 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.693 -10.384 3.673 1.00 0.00 C ATOM 0 H LEU A 31 -0.836 -10.808 7.603 1.00 0.00 H new ATOM 0 HA LEU A 31 0.463 -12.524 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.059 -12.559 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.788 -13.361 5.265 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.504 -12.310 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.478 -10.606 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.814 -12.026 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.904 -10.497 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.653 -9.883 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.972 -9.685 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.335 -10.731 2.703 1.00 0.00 H new ATOM 506 N HIS A 32 0.863 -10.455 4.156 1.00 0.00 N ATOM 507 CA HIS A 32 1.223 -9.222 3.396 1.00 0.00 C ATOM 508 C HIS A 32 2.026 -9.591 2.127 1.00 0.00 C ATOM 509 O HIS A 32 2.379 -10.745 1.940 1.00 0.00 O ATOM 510 CB HIS A 32 2.057 -8.227 4.269 1.00 0.00 C ATOM 511 CG HIS A 32 3.477 -8.679 4.525 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.803 -9.944 4.967 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.657 -8.053 4.307 1.00 0.00 C ATOM 514 CE1 HIS A 32 5.108 -10.067 4.984 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.647 -8.940 4.600 1.00 0.00 N ATOM 0 H HIS A 32 1.229 -11.310 3.736 1.00 0.00 H new ATOM 0 HA HIS A 32 0.292 -8.730 3.113 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.079 -7.256 3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.553 -8.087 5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.789 -7.037 3.964 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.650 -10.956 5.269 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.648 -8.755 4.531 1.00 0.00 H new ATOM 524 N LEU A 33 2.331 -8.585 1.285 1.00 0.00 N ATOM 525 CA LEU A 33 3.228 -8.742 0.111 1.00 0.00 C ATOM 526 C LEU A 33 4.714 -8.701 0.545 1.00 0.00 C ATOM 527 O LEU A 33 5.065 -7.909 1.408 1.00 0.00 O ATOM 528 CB LEU A 33 2.965 -7.601 -0.903 1.00 0.00 C ATOM 529 CG LEU A 33 1.621 -7.674 -1.683 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.141 -6.273 -2.078 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.739 -8.584 -2.933 1.00 0.00 C ATOM 0 H LEU A 33 1.966 -7.639 1.395 1.00 0.00 H new ATOM 0 HA LEU A 33 3.021 -9.707 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.000 -6.652 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.781 -7.590 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 33 0.880 -8.117 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.200 -6.351 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.993 -5.673 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.889 -5.798 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.782 -8.612 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.504 -8.188 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.014 -9.593 -2.624 1.00 0.00 H new ATOM 543 N PRO A 34 5.616 -9.513 -0.095 1.00 0.00 N ATOM 544 CA PRO A 34 7.071 -9.514 0.221 1.00 0.00 C ATOM 545 C PRO A 34 7.793 -8.227 -0.249 1.00 0.00 C ATOM 546 O PRO A 34 8.976 -8.035 0.044 1.00 0.00 O ATOM 547 CB PRO A 34 7.593 -10.770 -0.523 1.00 0.00 C ATOM 548 CG PRO A 34 6.638 -10.962 -1.661 1.00 0.00 C ATOM 549 CD PRO A 34 5.290 -10.492 -1.165 1.00 0.00 C ATOM 0 HA PRO A 34 7.259 -9.537 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.612 -10.623 -0.882 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.608 -11.641 0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.953 -10.390 -2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.598 -12.008 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.711 -10.030 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.697 -11.321 -0.779 1.00 0.00 H new ATOM 557 N ASN A 35 7.070 -7.364 -0.991 1.00 0.00 N ATOM 558 CA ASN A 35 7.575 -6.056 -1.470 1.00 0.00 C ATOM 559 C ASN A 35 6.840 -4.901 -0.763 1.00 0.00 C ATOM 560 O ASN A 35 6.996 -3.737 -1.150 1.00 0.00 O ATOM 561 CB ASN A 35 7.384 -5.945 -3.013 1.00 0.00 C ATOM 562 CG ASN A 35 8.082 -7.069 -3.781 1.00 0.00 C ATOM 563 OD1 ASN A 35 9.238 -6.945 -4.191 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.386 -8.181 -3.974 1.00 0.00 N ATOM 0 H ASN A 35 6.110 -7.555 -1.279 1.00 0.00 H new ATOM 0 HA ASN A 35 8.637 -5.986 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.319 -5.961 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.770 -4.984 -3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.805 -8.965 -4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.431 -8.253 -3.622 1.00 0.00 H new ATOM 571 N ALA A 36 6.040 -5.234 0.284 1.00 0.00 N ATOM 572 CA ALA A 36 5.229 -4.254 1.031 1.00 0.00 C ATOM 573 C ALA A 36 5.919 -3.867 2.346 1.00 0.00 C ATOM 574 O ALA A 36 6.166 -4.730 3.200 1.00 0.00 O ATOM 575 CB ALA A 36 3.822 -4.801 1.308 1.00 0.00 C ATOM 0 H ALA A 36 5.944 -6.189 0.628 1.00 0.00 H new ATOM 0 HA ALA A 36 5.133 -3.361 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.245 -4.059 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.324 -5.019 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.896 -5.715 1.898 1.00 0.00 H new ATOM 581 N THR A 37 6.198 -2.560 2.497 1.00 0.00 N ATOM 582 CA THR A 37 6.845 -1.992 3.684 1.00 0.00 C ATOM 583 C THR A 37 5.837 -1.905 4.846 1.00 0.00 C ATOM 584 O THR A 37 4.732 -1.383 4.662 1.00 0.00 O ATOM 585 CB THR A 37 7.410 -0.569 3.362 1.00 0.00 C ATOM 586 OG1 THR A 37 8.241 -0.636 2.188 1.00 0.00 O ATOM 587 CG2 THR A 37 8.219 0.025 4.534 1.00 0.00 C ATOM 0 H THR A 37 5.976 -1.863 1.786 1.00 0.00 H new ATOM 0 HA THR A 37 7.670 -2.642 3.977 1.00 0.00 H new ATOM 0 HB THR A 37 6.558 0.088 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.555 0.263 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.588 1.013 4.258 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.579 0.109 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.062 -0.627 4.761 1.00 0.00 H new ATOM 595 N LEU A 38 6.214 -2.428 6.026 1.00 0.00 N ATOM 596 CA LEU A 38 5.353 -2.400 7.222 1.00 0.00 C ATOM 597 C LEU A 38 5.285 -0.953 7.756 1.00 0.00 C ATOM 598 O LEU A 38 6.230 -0.468 8.399 1.00 0.00 O ATOM 599 CB LEU A 38 5.893 -3.372 8.328 1.00 0.00 C ATOM 600 CG LEU A 38 4.864 -3.953 9.376 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.602 -4.694 10.519 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.891 -2.891 9.953 1.00 0.00 C ATOM 0 H LEU A 38 7.116 -2.879 6.177 1.00 0.00 H new ATOM 0 HA LEU A 38 4.353 -2.738 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.370 -4.214 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.672 -2.847 8.881 1.00 0.00 H new ATOM 0 HG LEU A 38 4.246 -4.662 8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.873 -5.086 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.183 -5.518 10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.270 -4.001 11.030 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.215 -3.365 10.665 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.461 -2.111 10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.312 -2.449 9.142 1.00 0.00 H new ATOM 614 N ILE A 39 4.173 -0.267 7.439 1.00 0.00 N ATOM 615 CA ILE A 39 3.820 1.043 8.015 1.00 0.00 C ATOM 616 C ILE A 39 2.315 1.040 8.325 1.00 0.00 C ATOM 617 O ILE A 39 1.503 0.643 7.496 1.00 0.00 O ATOM 618 CB ILE A 39 4.157 2.252 7.046 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.678 2.268 6.682 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.731 3.607 7.677 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.098 3.319 5.672 1.00 0.00 C ATOM 0 H ILE A 39 3.486 -0.610 6.768 1.00 0.00 H new ATOM 0 HA ILE A 39 4.415 1.188 8.917 1.00 0.00 H new ATOM 0 HB ILE A 39 3.588 2.112 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.251 2.419 7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.951 1.287 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.973 4.420 6.992 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.657 3.599 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.263 3.754 8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.170 3.242 5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.561 3.160 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.865 4.310 6.060 1.00 0.00 H new ATOM 633 N SER A 40 1.940 1.484 9.515 1.00 0.00 N ATOM 634 CA SER A 40 0.522 1.641 9.860 1.00 0.00 C ATOM 635 C SER A 40 0.034 2.977 9.291 1.00 0.00 C ATOM 636 O SER A 40 0.783 3.960 9.294 1.00 0.00 O ATOM 637 CB SER A 40 0.304 1.571 11.385 1.00 0.00 C ATOM 638 OG SER A 40 -1.068 1.726 11.722 1.00 0.00 O ATOM 0 H SER A 40 2.588 1.743 10.259 1.00 0.00 H new ATOM 0 HA SER A 40 -0.053 0.823 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.667 0.615 11.762 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.890 2.349 11.874 1.00 0.00 H new ATOM 0 HG SER A 40 -1.603 1.071 11.227 1.00 0.00 H new ATOM 644 N VAL A 41 -1.205 2.988 8.764 1.00 0.00 N ATOM 645 CA VAL A 41 -1.868 4.205 8.245 1.00 0.00 C ATOM 646 C VAL A 41 -1.869 5.365 9.283 1.00 0.00 C ATOM 647 O VAL A 41 -1.846 6.535 8.900 1.00 0.00 O ATOM 648 CB VAL A 41 -3.341 3.881 7.781 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.184 3.302 8.945 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.023 5.125 7.145 1.00 0.00 C ATOM 0 H VAL A 41 -1.780 2.149 8.685 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.290 4.541 7.384 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.281 3.114 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.193 3.089 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.724 2.382 9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.229 4.027 9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.036 4.867 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.061 5.933 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.451 5.449 6.276 1.00 0.00 H new ATOM 660 N ASN A 42 -1.861 5.015 10.593 1.00 0.00 N ATOM 661 CA ASN A 42 -1.834 6.000 11.704 1.00 0.00 C ATOM 662 C ASN A 42 -0.487 6.747 11.757 1.00 0.00 C ATOM 663 O ASN A 42 -0.441 7.922 12.134 1.00 0.00 O ATOM 664 CB ASN A 42 -2.095 5.316 13.074 1.00 0.00 C ATOM 665 CG ASN A 42 -3.428 4.569 13.134 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.471 5.150 13.441 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.403 3.274 12.861 1.00 0.00 N ATOM 0 H ASN A 42 -1.873 4.045 10.909 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.631 6.717 11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.285 4.617 13.283 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.075 6.072 13.859 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.263 2.728 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.523 2.823 12.610 1.00 0.00 H new ATOM 674 N ASP A 43 0.595 6.051 11.372 1.00 0.00 N ATOM 675 CA ASP A 43 1.960 6.601 11.393 1.00 0.00 C ATOM 676 C ASP A 43 2.189 7.502 10.160 1.00 0.00 C ATOM 677 O ASP A 43 2.758 7.063 9.147 1.00 0.00 O ATOM 678 CB ASP A 43 3.022 5.461 11.454 1.00 0.00 C ATOM 679 CG ASP A 43 2.938 4.583 12.718 1.00 0.00 C ATOM 680 OD1 ASP A 43 3.054 5.123 13.838 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.798 3.342 12.602 1.00 0.00 O ATOM 0 H ASP A 43 0.548 5.089 11.037 1.00 0.00 H new ATOM 0 HA ASP A 43 2.074 7.207 12.292 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.907 4.825 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.017 5.904 11.399 1.00 0.00 H new ATOM 686 N GLN A 44 1.697 8.761 10.245 1.00 0.00 N ATOM 687 CA GLN A 44 1.958 9.796 9.224 1.00 0.00 C ATOM 688 C GLN A 44 3.463 10.070 9.128 1.00 0.00 C ATOM 689 O GLN A 44 4.006 10.198 8.035 1.00 0.00 O ATOM 690 CB GLN A 44 1.204 11.140 9.518 1.00 0.00 C ATOM 691 CG GLN A 44 -0.279 11.188 9.108 1.00 0.00 C ATOM 692 CD GLN A 44 -1.190 10.299 9.947 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.695 10.713 10.990 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.431 9.089 9.490 1.00 0.00 N ATOM 0 H GLN A 44 1.113 9.083 11.017 1.00 0.00 H new ATOM 0 HA GLN A 44 1.582 9.408 8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.271 11.345 10.587 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.728 11.947 9.005 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.630 12.217 9.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.365 10.892 8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.997 8.776 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.052 8.464 10.004 1.00 0.00 H new ATOM 703 N GLU A 45 4.119 10.144 10.297 1.00 0.00 N ATOM 704 CA GLU A 45 5.540 10.512 10.395 1.00 0.00 C ATOM 705 C GLU A 45 6.466 9.458 9.751 1.00 0.00 C ATOM 706 O GLU A 45 7.461 9.818 9.133 1.00 0.00 O ATOM 707 CB GLU A 45 5.919 10.846 11.874 1.00 0.00 C ATOM 708 CG GLU A 45 5.480 9.827 12.955 1.00 0.00 C ATOM 709 CD GLU A 45 6.279 8.518 12.965 1.00 0.00 C ATOM 710 OE1 GLU A 45 7.520 8.567 13.121 1.00 0.00 O ATOM 711 OE2 GLU A 45 5.675 7.438 12.816 1.00 0.00 O ATOM 0 H GLU A 45 3.681 9.951 11.198 1.00 0.00 H new ATOM 0 HA GLU A 45 5.696 11.419 9.811 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.002 10.956 11.931 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.487 11.815 12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.567 10.297 13.935 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.426 9.592 12.807 1.00 0.00 H new ATOM 718 N LYS A 46 6.104 8.166 9.879 1.00 0.00 N ATOM 719 CA LYS A 46 6.876 7.043 9.300 1.00 0.00 C ATOM 720 C LYS A 46 6.600 6.908 7.795 1.00 0.00 C ATOM 721 O LYS A 46 7.521 6.681 7.007 1.00 0.00 O ATOM 722 CB LYS A 46 6.543 5.715 10.036 1.00 0.00 C ATOM 723 CG LYS A 46 7.247 4.422 9.518 1.00 0.00 C ATOM 724 CD LYS A 46 8.795 4.352 9.754 1.00 0.00 C ATOM 725 CE LYS A 46 9.631 5.029 8.649 1.00 0.00 C ATOM 726 NZ LYS A 46 11.098 4.830 8.831 1.00 0.00 N ATOM 0 H LYS A 46 5.270 7.869 10.386 1.00 0.00 H new ATOM 0 HA LYS A 46 7.937 7.256 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.795 5.839 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.466 5.559 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.785 3.560 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.056 4.330 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.028 4.821 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.093 3.306 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.333 4.632 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.412 6.097 8.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.609 5.660 8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.309 4.708 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.401 3.983 8.309 1.00 0.00 H new ATOM 740 N LEU A 47 5.330 7.054 7.409 1.00 0.00 N ATOM 741 CA LEU A 47 4.905 6.902 6.007 1.00 0.00 C ATOM 742 C LEU A 47 5.534 7.991 5.124 1.00 0.00 C ATOM 743 O LEU A 47 6.094 7.711 4.058 1.00 0.00 O ATOM 744 CB LEU A 47 3.369 6.947 5.925 1.00 0.00 C ATOM 745 CG LEU A 47 2.739 6.662 4.528 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.174 5.287 3.964 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.208 6.770 4.614 1.00 0.00 C ATOM 0 H LEU A 47 4.570 7.279 8.050 1.00 0.00 H new ATOM 0 HA LEU A 47 5.249 5.937 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.968 6.223 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.038 7.932 6.254 1.00 0.00 H new ATOM 0 HG LEU A 47 3.108 7.415 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.711 5.131 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.259 5.264 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.859 4.498 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.774 6.570 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.832 6.043 5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.932 7.774 4.935 1.00 0.00 H new ATOM 759 N ALA A 48 5.449 9.228 5.619 1.00 0.00 N ATOM 760 CA ALA A 48 6.010 10.410 4.965 1.00 0.00 C ATOM 761 C ALA A 48 7.548 10.396 4.998 1.00 0.00 C ATOM 762 O ALA A 48 8.175 10.912 4.083 1.00 0.00 O ATOM 763 CB ALA A 48 5.453 11.668 5.624 1.00 0.00 C ATOM 0 H ALA A 48 4.980 9.439 6.500 1.00 0.00 H new ATOM 0 HA ALA A 48 5.717 10.401 3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.871 12.549 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.367 11.680 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.722 11.675 6.680 1.00 0.00 H new ATOM 769 N ASP A 49 8.134 9.804 6.067 1.00 0.00 N ATOM 770 CA ASP A 49 9.602 9.602 6.178 1.00 0.00 C ATOM 771 C ASP A 49 10.107 8.680 5.058 1.00 0.00 C ATOM 772 O ASP A 49 11.107 8.982 4.406 1.00 0.00 O ATOM 773 CB ASP A 49 9.970 9.000 7.559 1.00 0.00 C ATOM 774 CG ASP A 49 11.465 8.656 7.712 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.284 9.587 7.845 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.826 7.457 7.686 1.00 0.00 O ATOM 0 H ASP A 49 7.610 9.456 6.870 1.00 0.00 H new ATOM 0 HA ASP A 49 10.083 10.575 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.688 9.707 8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.381 8.097 7.719 1.00 0.00 H new ATOM 781 N PHE A 50 9.384 7.559 4.852 1.00 0.00 N ATOM 782 CA PHE A 50 9.697 6.559 3.808 1.00 0.00 C ATOM 783 C PHE A 50 9.683 7.213 2.416 1.00 0.00 C ATOM 784 O PHE A 50 10.525 6.914 1.558 1.00 0.00 O ATOM 785 CB PHE A 50 8.680 5.385 3.869 1.00 0.00 C ATOM 786 CG PHE A 50 8.944 4.263 2.850 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.968 3.335 3.061 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.177 4.140 1.685 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.215 2.328 2.146 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.426 3.129 0.775 1.00 0.00 C ATOM 791 CZ PHE A 50 9.443 2.224 1.006 1.00 0.00 C ATOM 0 H PHE A 50 8.563 7.321 5.408 1.00 0.00 H new ATOM 0 HA PHE A 50 10.696 6.164 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.695 4.959 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.677 5.780 3.705 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.575 3.406 3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.380 4.844 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.013 1.622 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.824 3.047 -0.118 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.635 1.434 0.295 1.00 0.00 H new ATOM 801 N LEU A 51 8.705 8.107 2.213 1.00 0.00 N ATOM 802 CA LEU A 51 8.576 8.880 0.975 1.00 0.00 C ATOM 803 C LEU A 51 9.694 9.935 0.861 1.00 0.00 C ATOM 804 O LEU A 51 10.242 10.135 -0.217 1.00 0.00 O ATOM 805 CB LEU A 51 7.175 9.534 0.890 1.00 0.00 C ATOM 806 CG LEU A 51 5.970 8.538 0.899 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.629 9.287 0.811 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.086 7.480 -0.225 1.00 0.00 C ATOM 0 H LEU A 51 7.983 8.313 2.903 1.00 0.00 H new ATOM 0 HA LEU A 51 8.684 8.198 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.062 10.222 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.125 10.130 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 51 6.001 8.007 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.810 8.568 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.531 9.959 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.595 9.865 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.229 6.808 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.108 7.979 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.003 6.906 -0.091 1.00 0.00 H new ATOM 820 N SER A 52 10.058 10.545 2.001 1.00 0.00 N ATOM 821 CA SER A 52 11.034 11.653 2.069 1.00 0.00 C ATOM 822 C SER A 52 12.471 11.174 1.779 1.00 0.00 C ATOM 823 O SER A 52 13.311 11.978 1.380 1.00 0.00 O ATOM 824 CB SER A 52 10.971 12.334 3.457 1.00 0.00 C ATOM 825 OG SER A 52 11.773 13.504 3.515 1.00 0.00 O ATOM 0 H SER A 52 9.681 10.283 2.912 1.00 0.00 H new ATOM 0 HA SER A 52 10.765 12.375 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.937 12.592 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.302 11.630 4.221 1.00 0.00 H new ATOM 0 HG SER A 52 11.704 13.904 4.407 1.00 0.00 H new ATOM 831 N GLN A 53 12.729 9.861 1.986 1.00 0.00 N ATOM 832 CA GLN A 53 14.064 9.240 1.785 1.00 0.00 C ATOM 833 C GLN A 53 14.652 9.541 0.388 1.00 0.00 C ATOM 834 O GLN A 53 15.844 9.837 0.259 1.00 0.00 O ATOM 835 CB GLN A 53 13.998 7.698 2.012 1.00 0.00 C ATOM 836 CG GLN A 53 13.605 7.268 3.443 1.00 0.00 C ATOM 837 CD GLN A 53 14.546 7.798 4.534 1.00 0.00 C ATOM 838 OE1 GLN A 53 15.751 7.957 4.326 1.00 0.00 O ATOM 839 NE2 GLN A 53 13.997 8.107 5.692 1.00 0.00 N ATOM 0 H GLN A 53 12.018 9.200 2.298 1.00 0.00 H new ATOM 0 HA GLN A 53 14.729 9.686 2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.281 7.272 1.310 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.971 7.268 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.593 7.615 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.585 6.179 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.997 7.965 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.572 8.488 6.443 1.00 0.00 H new ATOM 848 N HIS A 54 13.788 9.473 -0.644 1.00 0.00 N ATOM 849 CA HIS A 54 14.173 9.696 -2.060 1.00 0.00 C ATOM 850 C HIS A 54 13.207 10.671 -2.737 1.00 0.00 C ATOM 851 O HIS A 54 13.647 11.598 -3.420 1.00 0.00 O ATOM 852 CB HIS A 54 14.220 8.343 -2.838 1.00 0.00 C ATOM 853 CG HIS A 54 15.421 7.480 -2.522 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.523 7.923 -1.813 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.681 6.184 -2.814 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.392 6.945 -1.692 1.00 0.00 C ATOM 857 NE2 HIS A 54 16.903 5.876 -2.285 1.00 0.00 N ATOM 0 H HIS A 54 12.798 9.261 -0.523 1.00 0.00 H new ATOM 0 HA HIS A 54 15.170 10.136 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.314 7.779 -2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.210 8.553 -3.908 1.00 0.00 H new ATOM 0 HD1 HIS A 54 16.643 8.865 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.038 5.514 -3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.347 7.007 -1.191 1.00 0.00 H new ATOM 866 N LYS A 55 11.892 10.426 -2.529 1.00 0.00 N ATOM 867 CA LYS A 55 10.754 11.121 -3.198 1.00 0.00 C ATOM 868 C LYS A 55 10.629 10.720 -4.683 1.00 0.00 C ATOM 869 O LYS A 55 9.537 10.349 -5.143 1.00 0.00 O ATOM 870 CB LYS A 55 10.794 12.665 -2.999 1.00 0.00 C ATOM 871 CG LYS A 55 10.620 13.101 -1.527 1.00 0.00 C ATOM 872 CD LYS A 55 10.580 14.633 -1.343 1.00 0.00 C ATOM 873 CE LYS A 55 9.407 15.291 -2.081 1.00 0.00 C ATOM 874 NZ LYS A 55 9.410 16.766 -1.921 1.00 0.00 N ATOM 0 H LYS A 55 11.577 9.715 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 55 9.845 10.780 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.744 13.047 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.008 13.121 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.698 12.671 -1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.439 12.693 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.510 14.865 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.516 15.062 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.459 15.041 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.468 14.887 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.602 17.173 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.335 17.006 -0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.295 17.155 -2.305 1.00 0.00 H new ATOM 888 N ASP A 56 11.751 10.778 -5.419 1.00 0.00 N ATOM 889 CA ASP A 56 11.851 10.280 -6.797 1.00 0.00 C ATOM 890 C ASP A 56 11.999 8.738 -6.785 1.00 0.00 C ATOM 891 O ASP A 56 13.095 8.183 -6.964 1.00 0.00 O ATOM 892 CB ASP A 56 13.042 10.979 -7.527 1.00 0.00 C ATOM 893 CG ASP A 56 13.167 10.604 -9.019 1.00 0.00 C ATOM 894 OD1 ASP A 56 12.183 10.788 -9.768 1.00 0.00 O ATOM 895 OD2 ASP A 56 14.248 10.138 -9.450 1.00 0.00 O ATOM 0 H ASP A 56 12.622 11.176 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 56 10.942 10.520 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.924 12.059 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.970 10.719 -7.018 1.00 0.00 H new ATOM 900 N LYS A 57 10.874 8.076 -6.465 1.00 0.00 N ATOM 901 CA LYS A 57 10.697 6.613 -6.557 1.00 0.00 C ATOM 902 C LYS A 57 9.173 6.308 -6.618 1.00 0.00 C ATOM 903 O LYS A 57 8.354 7.103 -6.124 1.00 0.00 O ATOM 904 CB LYS A 57 11.378 5.847 -5.373 1.00 0.00 C ATOM 905 CG LYS A 57 10.638 5.876 -4.014 1.00 0.00 C ATOM 906 CD LYS A 57 10.606 7.265 -3.353 1.00 0.00 C ATOM 907 CE LYS A 57 9.752 7.283 -2.082 1.00 0.00 C ATOM 908 NZ LYS A 57 10.140 6.223 -1.109 1.00 0.00 N ATOM 0 H LYS A 57 10.039 8.555 -6.126 1.00 0.00 H new ATOM 0 HA LYS A 57 11.191 6.258 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.506 4.806 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.375 6.262 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.615 5.530 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.118 5.172 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.623 7.573 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.214 7.994 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.841 8.259 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.704 7.155 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.070 6.598 -0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.503 5.407 -1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.119 5.923 -1.294 1.00 0.00 H new ATOM 922 N LYS A 58 8.802 5.160 -7.203 1.00 0.00 N ATOM 923 CA LYS A 58 7.390 4.779 -7.413 1.00 0.00 C ATOM 924 C LYS A 58 6.900 3.913 -6.248 1.00 0.00 C ATOM 925 O LYS A 58 7.426 2.827 -6.037 1.00 0.00 O ATOM 926 CB LYS A 58 7.262 4.031 -8.750 1.00 0.00 C ATOM 927 CG LYS A 58 5.822 3.919 -9.295 1.00 0.00 C ATOM 928 CD LYS A 58 5.809 3.703 -10.820 1.00 0.00 C ATOM 929 CE LYS A 58 6.688 2.515 -11.257 1.00 0.00 C ATOM 930 NZ LYS A 58 6.670 2.305 -12.725 1.00 0.00 N ATOM 0 H LYS A 58 9.468 4.467 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 58 6.768 5.673 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.878 4.537 -9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.668 3.027 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.310 3.091 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.268 4.825 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.784 3.533 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.157 4.610 -11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.714 2.687 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.342 1.609 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.275 1.367 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.083 3.037 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.640 2.364 -13.096 1.00 0.00 H new ATOM 944 N VAL A 59 5.909 4.409 -5.481 1.00 0.00 N ATOM 945 CA VAL A 59 5.409 3.721 -4.270 1.00 0.00 C ATOM 946 C VAL A 59 3.892 3.472 -4.361 1.00 0.00 C ATOM 947 O VAL A 59 3.142 4.343 -4.814 1.00 0.00 O ATOM 948 CB VAL A 59 5.762 4.532 -2.964 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.198 3.857 -1.698 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.289 4.712 -2.827 1.00 0.00 C ATOM 0 H VAL A 59 5.435 5.290 -5.679 1.00 0.00 H new ATOM 0 HA VAL A 59 5.910 2.755 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 59 5.294 5.511 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.464 4.448 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.113 3.789 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.618 2.856 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.509 5.274 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.767 3.734 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.670 5.255 -3.692 1.00 0.00 H new ATOM 960 N LEU A 60 3.467 2.270 -3.907 1.00 0.00 N ATOM 961 CA LEU A 60 2.061 1.827 -3.944 1.00 0.00 C ATOM 962 C LEU A 60 1.562 1.447 -2.529 1.00 0.00 C ATOM 963 O LEU A 60 1.907 0.387 -2.016 1.00 0.00 O ATOM 964 CB LEU A 60 1.922 0.600 -4.879 1.00 0.00 C ATOM 965 CG LEU A 60 0.469 0.074 -5.075 1.00 0.00 C ATOM 966 CD1 LEU A 60 -0.365 1.079 -5.878 1.00 0.00 C ATOM 967 CD2 LEU A 60 0.455 -1.313 -5.737 1.00 0.00 C ATOM 0 H LEU A 60 4.098 1.578 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 60 1.455 2.652 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.332 0.859 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.534 -0.210 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 60 0.017 -0.034 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.377 0.694 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.403 2.029 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.091 1.230 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.575 -1.648 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.935 -1.255 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.996 -2.021 -5.109 1.00 0.00 H new ATOM 979 N LEU A 61 0.727 2.301 -1.930 1.00 0.00 N ATOM 980 CA LEU A 61 0.154 2.070 -0.585 1.00 0.00 C ATOM 981 C LEU A 61 -1.068 1.127 -0.697 1.00 0.00 C ATOM 982 O LEU A 61 -2.162 1.570 -1.027 1.00 0.00 O ATOM 983 CB LEU A 61 -0.261 3.438 0.061 1.00 0.00 C ATOM 984 CG LEU A 61 0.890 4.378 0.580 1.00 0.00 C ATOM 985 CD1 LEU A 61 1.916 4.727 -0.513 1.00 0.00 C ATOM 986 CD2 LEU A 61 0.301 5.671 1.188 1.00 0.00 C ATOM 0 H LEU A 61 0.424 3.176 -2.358 1.00 0.00 H new ATOM 0 HA LEU A 61 0.902 1.600 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.843 3.994 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.925 3.226 0.899 1.00 0.00 H new ATOM 0 HG LEU A 61 1.422 3.822 1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.685 5.377 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.377 3.812 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.414 5.239 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.111 6.309 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.273 6.201 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.351 5.416 2.023 1.00 0.00 H new ATOM 998 N HIS A 62 -0.877 -0.177 -0.446 1.00 0.00 N ATOM 999 CA HIS A 62 -1.972 -1.171 -0.559 1.00 0.00 C ATOM 1000 C HIS A 62 -2.660 -1.370 0.809 1.00 0.00 C ATOM 1001 O HIS A 62 -1.991 -1.405 1.854 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.456 -2.530 -1.144 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.916 -3.523 -0.135 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.666 -4.571 0.355 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.291 -3.635 0.459 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.941 -5.269 1.201 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.252 -4.727 1.284 1.00 0.00 N ATOM 0 H HIS A 62 0.019 -0.573 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.712 -0.783 -1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.274 -3.003 -1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.672 -2.316 -1.870 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.137 -2.980 0.310 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.272 -6.145 1.739 1.00 0.00 H new ATOM 0 HE2 HIS A 62 1.020 -5.063 1.865 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.994 -1.509 0.785 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.824 -1.749 1.999 1.00 0.00 C ATOM 1018 C CYS A 63 -5.602 -3.066 1.866 1.00 0.00 C ATOM 1019 O CYS A 63 -5.738 -3.590 0.753 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.787 -0.571 2.239 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.913 -0.765 3.645 1.00 0.00 S ATOM 0 H CYS A 63 -4.540 -1.460 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.160 -1.828 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.198 0.334 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.381 -0.419 1.338 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.223 -0.907 4.737 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.031 -3.622 3.031 1.00 0.00 N ATOM 1028 CA ARG A 64 -6.915 -4.815 3.121 1.00 0.00 C ATOM 1029 C ARG A 64 -8.088 -4.731 2.116 1.00 0.00 C ATOM 1030 O ARG A 64 -8.375 -5.688 1.385 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.491 -4.941 4.567 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.402 -6.178 4.813 1.00 0.00 C ATOM 1033 CD ARG A 64 -7.665 -7.395 5.363 1.00 0.00 C ATOM 1034 NE ARG A 64 -7.293 -7.242 6.775 1.00 0.00 N ATOM 1035 CZ ARG A 64 -7.044 -8.266 7.599 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -7.130 -9.505 7.177 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -6.734 -8.049 8.846 1.00 0.00 N ATOM 0 H ARG A 64 -5.769 -3.250 3.944 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.313 -5.691 2.877 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.659 -4.977 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.061 -4.040 4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.193 -5.900 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.885 -6.452 3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.295 -8.277 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.766 -7.568 4.771 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.220 -6.297 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.389 -9.697 6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.937 -10.276 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -6.680 -7.094 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.545 -8.834 9.469 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.749 -3.560 2.109 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.910 -3.278 1.246 1.00 0.00 C ATOM 1053 C ALA A 65 -9.576 -2.168 0.232 1.00 0.00 C ATOM 1054 O ALA A 65 -9.789 -2.327 -0.974 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.114 -2.886 2.120 1.00 0.00 C ATOM 0 H ALA A 65 -8.490 -2.776 2.708 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.164 -4.174 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.973 -2.677 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.355 -3.706 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.868 -1.997 2.700 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.054 -1.038 0.747 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.669 0.102 -0.098 1.00 0.00 C ATOM 1063 C GLY A 66 -8.922 1.452 0.557 1.00 0.00 C ATOM 1064 O GLY A 66 -8.478 2.485 0.041 1.00 0.00 O ATOM 0 H GLY A 66 -8.891 -0.893 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.611 0.020 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.222 0.052 -1.036 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.655 1.442 1.687 1.00 0.00 N ATOM 1069 CA ARG A 67 -9.983 2.656 2.456 1.00 0.00 C ATOM 1070 C ARG A 67 -8.710 3.382 2.914 1.00 0.00 C ATOM 1071 O ARG A 67 -8.530 4.563 2.624 1.00 0.00 O ATOM 1072 CB ARG A 67 -10.876 2.300 3.675 1.00 0.00 C ATOM 1073 CG ARG A 67 -11.235 3.473 4.636 1.00 0.00 C ATOM 1074 CD ARG A 67 -12.136 4.570 4.008 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.414 5.444 3.049 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.920 6.668 3.324 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -11.045 7.207 4.526 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.282 7.344 2.382 1.00 0.00 N ATOM 0 H ARG A 67 -10.037 0.588 2.093 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.537 3.330 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.804 1.866 3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.372 1.526 4.254 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.738 3.066 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.312 3.935 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.973 4.094 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.557 5.185 4.804 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.281 5.088 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.523 6.695 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.663 8.135 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.166 6.939 1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.906 8.270 2.585 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.826 2.646 3.602 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.587 3.207 4.179 1.00 0.00 C ATOM 1094 C ARG A 68 -5.500 3.405 3.133 1.00 0.00 C ATOM 1095 O ARG A 68 -4.540 4.119 3.376 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.088 2.312 5.326 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.087 2.222 6.484 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.484 3.621 7.030 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.307 3.567 8.251 1.00 0.00 N ATOM 1100 CZ ARG A 68 -8.560 4.619 9.057 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -8.035 5.822 8.817 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -9.351 4.463 10.107 1.00 0.00 N ATOM 0 H ARG A 68 -7.945 1.648 3.776 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.825 4.195 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.893 1.311 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.140 2.701 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.982 1.698 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.654 1.630 7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.578 4.191 7.238 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.031 4.161 6.257 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.716 2.668 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.428 5.962 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.241 6.602 9.441 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.765 3.552 10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.546 5.254 10.720 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.655 2.731 1.996 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.825 2.973 0.803 1.00 0.00 C ATOM 1118 C ALA A 69 -4.995 4.432 0.364 1.00 0.00 C ATOM 1119 O ALA A 69 -4.022 5.194 0.280 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.216 2.008 -0.327 1.00 0.00 C ATOM 0 H ALA A 69 -6.356 2.001 1.869 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.777 2.793 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.594 2.200 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.069 0.980 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.264 2.158 -0.588 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.268 4.791 0.121 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.679 6.155 -0.216 1.00 0.00 C ATOM 1128 C LEU A 70 -6.292 7.122 0.917 1.00 0.00 C ATOM 1129 O LEU A 70 -5.488 8.013 0.700 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.211 6.180 -0.500 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.860 7.574 -0.804 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.194 8.280 -2.003 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.382 7.439 -1.034 1.00 0.00 C ATOM 0 H LEU A 70 -7.045 4.131 0.155 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.161 6.485 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.408 5.523 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.722 5.750 0.362 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.693 8.197 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.678 9.241 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.137 8.439 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.296 7.659 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.807 8.421 -1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.565 6.777 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.849 7.024 -0.141 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.818 6.853 2.125 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.709 7.722 3.330 1.00 0.00 C ATOM 1147 C ASP A 71 -5.259 8.149 3.639 1.00 0.00 C ATOM 1148 O ASP A 71 -4.974 9.348 3.846 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.334 6.967 4.537 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.328 7.750 5.865 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.096 8.729 5.985 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.578 7.375 6.792 1.00 0.00 O ATOM 0 H ASP A 71 -7.349 6.001 2.304 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.252 8.647 3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.363 6.706 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.794 6.031 4.681 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.358 7.157 3.649 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.921 7.368 3.890 1.00 0.00 C ATOM 1159 C ALA A 72 -2.310 8.253 2.791 1.00 0.00 C ATOM 1160 O ALA A 72 -1.668 9.274 3.080 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.209 6.017 3.958 1.00 0.00 C ATOM 0 H ALA A 72 -4.605 6.180 3.490 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.792 7.883 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.145 6.175 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.629 5.425 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.344 5.487 3.015 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.561 7.870 1.524 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.037 8.592 0.356 1.00 0.00 C ATOM 1169 C ALA A 73 -2.597 10.024 0.278 1.00 0.00 C ATOM 1170 O ALA A 73 -1.921 10.903 -0.250 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.333 7.813 -0.932 1.00 0.00 C ATOM 0 H ALA A 73 -3.129 7.057 1.286 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.956 8.674 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.938 8.361 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.861 6.832 -0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.410 7.692 -1.044 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.819 10.249 0.822 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.448 11.585 0.848 1.00 0.00 C ATOM 1179 C LYS A 74 -3.594 12.530 1.672 1.00 0.00 C ATOM 1180 O LYS A 74 -3.130 13.542 1.153 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.905 11.564 1.398 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.903 10.712 0.581 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.380 11.134 0.767 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.714 12.432 0.017 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.102 12.892 0.271 1.00 0.00 N ATOM 0 H LYS A 74 -4.387 9.517 1.249 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.511 11.931 -0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.885 11.190 2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.275 12.588 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.645 10.781 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.794 9.666 0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.031 10.335 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.587 11.267 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.015 13.212 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.576 12.276 -1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.279 13.771 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.773 12.160 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.229 13.068 1.288 1.00 0.00 H new ATOM 1199 N SER A 75 -3.339 12.136 2.934 1.00 0.00 N ATOM 1200 CA SER A 75 -2.538 12.923 3.890 1.00 0.00 C ATOM 1201 C SER A 75 -1.153 13.293 3.295 1.00 0.00 C ATOM 1202 O SER A 75 -0.687 14.418 3.455 1.00 0.00 O ATOM 1203 CB SER A 75 -2.384 12.122 5.210 1.00 0.00 C ATOM 1204 OG SER A 75 -3.654 11.716 5.707 1.00 0.00 O ATOM 0 H SER A 75 -3.685 11.258 3.321 1.00 0.00 H new ATOM 0 HA SER A 75 -3.055 13.859 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.759 11.246 5.038 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.876 12.734 5.955 1.00 0.00 H new ATOM 0 HG SER A 75 -3.534 11.211 6.538 1.00 0.00 H new ATOM 1210 N MET A 76 -0.548 12.341 2.556 1.00 0.00 N ATOM 1211 CA MET A 76 0.793 12.510 1.946 1.00 0.00 C ATOM 1212 C MET A 76 0.777 13.408 0.693 1.00 0.00 C ATOM 1213 O MET A 76 1.755 14.119 0.439 1.00 0.00 O ATOM 1214 CB MET A 76 1.411 11.122 1.648 1.00 0.00 C ATOM 1215 CG MET A 76 1.929 10.422 2.910 1.00 0.00 C ATOM 1216 SD MET A 76 0.692 10.364 4.223 1.00 0.00 S ATOM 1217 CE MET A 76 1.707 10.377 5.689 1.00 0.00 C ATOM 0 H MET A 76 -0.972 11.433 2.364 1.00 0.00 H new ATOM 0 HA MET A 76 1.421 13.031 2.669 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.663 10.491 1.169 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.231 11.238 0.939 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.236 9.407 2.659 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.815 10.942 3.273 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.363 9.604 6.377 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.744 10.183 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.635 11.351 6.173 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.319 13.370 -0.084 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.529 14.310 -1.209 1.00 0.00 C ATOM 1229 C HIS A 77 -0.659 15.759 -0.691 1.00 0.00 C ATOM 1230 O HIS A 77 -0.163 16.695 -1.328 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.763 13.910 -2.077 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.481 12.879 -3.155 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.503 13.176 -4.507 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -1.206 11.553 -3.086 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -1.250 12.084 -5.200 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -1.075 11.089 -4.365 1.00 0.00 N ATOM 0 H HIS A 77 -1.077 12.699 0.043 1.00 0.00 H new ATOM 0 HA HIS A 77 0.348 14.253 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.541 13.523 -1.419 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.163 14.807 -2.549 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.687 14.097 -4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.108 10.969 -2.183 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -1.196 12.020 -6.277 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.296 15.911 0.485 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.475 17.215 1.160 1.00 0.00 C ATOM 1247 C GLU A 78 -0.134 17.755 1.690 1.00 0.00 C ATOM 1248 O GLU A 78 0.061 18.973 1.791 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.500 17.064 2.315 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.846 16.456 1.871 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.615 17.332 0.870 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.305 18.279 1.299 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.534 17.078 -0.357 1.00 0.00 O ATOM 0 H GLU A 78 -1.704 15.130 0.998 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.855 17.935 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.067 16.437 3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.682 18.043 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.664 15.480 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.469 16.291 2.750 1.00 0.00 H new ATOM 1260 N LEU A 79 0.784 16.827 2.031 1.00 0.00 N ATOM 1261 CA LEU A 79 2.151 17.180 2.468 1.00 0.00 C ATOM 1262 C LEU A 79 3.000 17.692 1.295 1.00 0.00 C ATOM 1263 O LEU A 79 3.929 18.479 1.496 1.00 0.00 O ATOM 1264 CB LEU A 79 2.852 15.959 3.117 1.00 0.00 C ATOM 1265 CG LEU A 79 2.175 15.409 4.401 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.888 14.152 4.931 1.00 0.00 C ATOM 1267 CD2 LEU A 79 2.061 16.493 5.498 1.00 0.00 C ATOM 0 H LEU A 79 0.602 15.824 2.012 1.00 0.00 H new ATOM 0 HA LEU A 79 2.059 17.977 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.903 15.157 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.878 16.236 3.358 1.00 0.00 H new ATOM 0 HG LEU A 79 1.162 15.116 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.383 13.799 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.863 13.372 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.924 14.394 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.582 16.069 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.057 16.850 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.464 17.326 5.126 1.00 0.00 H new ATOM 1279 N GLY A 80 2.668 17.244 0.074 1.00 0.00 N ATOM 1280 CA GLY A 80 3.390 17.645 -1.137 1.00 0.00 C ATOM 1281 C GLY A 80 3.870 16.458 -1.958 1.00 0.00 C ATOM 1282 O GLY A 80 4.268 16.636 -3.116 1.00 0.00 O ATOM 0 H GLY A 80 1.897 16.599 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.740 18.267 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.247 18.258 -0.857 1.00 0.00 H new ATOM 1286 N TYR A 81 3.846 15.240 -1.364 1.00 0.00 N ATOM 1287 CA TYR A 81 4.224 13.998 -2.084 1.00 0.00 C ATOM 1288 C TYR A 81 3.105 13.616 -3.078 1.00 0.00 C ATOM 1289 O TYR A 81 2.016 14.193 -3.045 1.00 0.00 O ATOM 1290 CB TYR A 81 4.462 12.819 -1.100 1.00 0.00 C ATOM 1291 CG TYR A 81 5.423 13.108 0.066 1.00 0.00 C ATOM 1292 CD1 TYR A 81 6.807 13.201 -0.126 1.00 0.00 C ATOM 1293 CD2 TYR A 81 4.942 13.275 1.371 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.661 13.449 0.934 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.796 13.525 2.427 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.154 13.610 2.205 1.00 0.00 C ATOM 1297 OH TYR A 81 8.013 13.870 3.255 1.00 0.00 O ATOM 0 H TYR A 81 3.570 15.091 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 81 5.154 14.189 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.500 12.514 -0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.850 11.971 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.215 13.077 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.880 13.207 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.726 13.516 0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.401 13.654 3.424 1.00 0.00 H new ATOM 0 HH TYR A 81 7.499 13.958 4.084 1.00 0.00 H new ATOM 1307 N THR A 82 3.366 12.630 -3.956 1.00 0.00 N ATOM 1308 CA THR A 82 2.338 12.070 -4.866 1.00 0.00 C ATOM 1309 C THR A 82 2.485 10.525 -4.985 1.00 0.00 C ATOM 1310 O THR A 82 2.795 10.006 -6.066 1.00 0.00 O ATOM 1311 CB THR A 82 2.370 12.752 -6.293 1.00 0.00 C ATOM 1312 OG1 THR A 82 3.723 12.842 -6.762 1.00 0.00 O ATOM 1313 CG2 THR A 82 1.724 14.154 -6.309 1.00 0.00 C ATOM 0 H THR A 82 4.285 12.199 -4.058 1.00 0.00 H new ATOM 0 HA THR A 82 1.365 12.291 -4.427 1.00 0.00 H new ATOM 0 HB THR A 82 1.779 12.119 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.735 13.264 -7.647 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.778 14.568 -7.316 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.681 14.077 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.257 14.808 -5.619 1.00 0.00 H new ATOM 1321 N PRO A 83 2.282 9.748 -3.864 1.00 0.00 N ATOM 1322 CA PRO A 83 2.293 8.267 -3.922 1.00 0.00 C ATOM 1323 C PRO A 83 0.999 7.690 -4.546 1.00 0.00 C ATOM 1324 O PRO A 83 -0.074 8.313 -4.477 1.00 0.00 O ATOM 1325 CB PRO A 83 2.419 7.860 -2.431 1.00 0.00 C ATOM 1326 CG PRO A 83 1.745 8.970 -1.687 1.00 0.00 C ATOM 1327 CD PRO A 83 2.060 10.229 -2.464 1.00 0.00 C ATOM 0 HA PRO A 83 3.096 7.883 -4.552 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.937 6.902 -2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.463 7.758 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.669 8.805 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.115 9.038 -0.664 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.239 10.944 -2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.944 10.730 -2.070 1.00 0.00 H new ATOM 1335 N TYR A 84 1.123 6.501 -5.151 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.024 5.707 -5.631 1.00 0.00 C ATOM 1337 C TYR A 84 -0.568 4.862 -4.470 1.00 0.00 C ATOM 1338 O TYR A 84 0.025 4.832 -3.381 1.00 0.00 O ATOM 1339 CB TYR A 84 0.406 4.785 -6.804 1.00 0.00 C ATOM 1340 CG TYR A 84 0.920 5.535 -8.042 1.00 0.00 C ATOM 1341 CD1 TYR A 84 0.041 5.970 -9.037 1.00 0.00 C ATOM 1342 CD2 TYR A 84 2.281 5.822 -8.208 1.00 0.00 C ATOM 1343 CE1 TYR A 84 0.495 6.654 -10.146 1.00 0.00 C ATOM 1344 CE2 TYR A 84 2.736 6.505 -9.320 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.838 6.922 -10.283 1.00 0.00 C ATOM 1346 OH TYR A 84 2.284 7.609 -11.391 1.00 0.00 O ATOM 0 H TYR A 84 2.025 6.058 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.801 6.380 -5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.186 4.110 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.443 4.167 -7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.015 5.767 -8.936 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.986 5.504 -7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.202 6.978 -10.905 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.790 6.712 -9.436 1.00 0.00 H new ATOM 0 HH TYR A 84 3.256 7.719 -11.338 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.692 4.177 -4.707 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.348 3.353 -3.689 1.00 0.00 C ATOM 1358 C TYR A 85 -3.238 2.296 -4.353 1.00 0.00 C ATOM 1359 O TYR A 85 -3.841 2.551 -5.401 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.151 4.239 -2.709 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.212 5.142 -3.358 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -3.862 6.373 -3.920 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.556 4.768 -3.402 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -4.806 7.183 -4.496 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.498 5.582 -3.979 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.119 6.785 -4.522 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.060 7.593 -5.107 1.00 0.00 O ATOM 0 H TYR A 85 -2.171 4.179 -5.608 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.585 2.831 -3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.643 3.594 -1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.452 4.867 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.830 6.691 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.859 3.823 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -4.518 8.130 -4.927 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.534 5.278 -4.006 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.626 8.182 -5.759 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.294 1.106 -3.736 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.036 -0.043 -4.259 1.00 0.00 C ATOM 1379 C LEU A 86 -5.316 -0.242 -3.439 1.00 0.00 C ATOM 1380 O LEU A 86 -5.269 -0.562 -2.227 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.130 -1.315 -4.242 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.683 -2.645 -4.892 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.674 -3.410 -3.987 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.303 -2.379 -6.273 1.00 0.00 C ATOM 0 H LEU A 86 -2.820 0.916 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.325 0.140 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.197 -1.064 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.883 -1.532 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.816 -3.293 -5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.012 -4.312 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.179 -3.685 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.532 -2.774 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.673 -3.315 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.129 -1.675 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.547 -1.959 -6.936 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.446 -0.069 -4.135 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.774 -0.399 -3.629 1.00 0.00 C ATOM 1398 C GLU A 87 -8.179 -1.765 -4.209 1.00 0.00 C ATOM 1399 O GLU A 87 -8.516 -1.875 -5.398 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.786 0.716 -4.007 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.439 2.103 -3.420 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.533 3.155 -3.658 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.492 3.220 -2.858 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.452 3.905 -4.647 1.00 0.00 O ATOM 0 H GLU A 87 -6.458 0.311 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.769 -0.462 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.836 0.794 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.778 0.424 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.267 2.004 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.506 2.453 -3.861 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.086 -2.800 -3.366 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.381 -4.174 -3.759 1.00 0.00 C ATOM 1413 C GLY A 88 -8.266 -5.126 -2.578 1.00 0.00 C ATOM 1414 O GLY A 88 -7.598 -4.807 -1.579 1.00 0.00 O ATOM 0 H GLY A 88 -7.803 -2.703 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.387 -4.227 -4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.694 -4.484 -4.547 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.916 -6.298 -2.703 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.911 -7.344 -1.663 1.00 0.00 C ATOM 1420 C ASN A 89 -7.495 -7.936 -1.500 1.00 0.00 C ATOM 1421 O ASN A 89 -6.955 -8.515 -2.444 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.924 -8.464 -2.014 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.385 -8.071 -1.799 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -12.038 -7.506 -2.683 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.918 -8.388 -0.625 1.00 0.00 N ATOM 0 H ASN A 89 -9.460 -6.547 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.209 -6.890 -0.718 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.785 -8.751 -3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.702 -9.343 -1.409 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.894 -8.165 -0.431 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.351 -8.854 0.083 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.916 -7.793 -0.287 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.511 -8.151 -0.012 1.00 0.00 C ATOM 1434 C VAL A 90 -5.261 -9.670 -0.165 1.00 0.00 C ATOM 1435 O VAL A 90 -4.226 -10.076 -0.677 1.00 0.00 O ATOM 1436 CB VAL A 90 -5.037 -7.629 1.398 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.773 -8.331 2.544 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.504 -7.739 1.570 1.00 0.00 C ATOM 0 H VAL A 90 -7.411 -7.427 0.526 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.906 -7.646 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.296 -6.571 1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.417 -7.942 3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.844 -8.148 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.583 -9.403 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.221 -7.369 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.201 -8.782 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.008 -7.144 0.803 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.247 -10.494 0.237 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.168 -11.969 0.110 1.00 0.00 C ATOM 1450 C TYR A 91 -6.171 -12.382 -1.372 1.00 0.00 C ATOM 1451 O TYR A 91 -5.499 -13.342 -1.765 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.353 -12.646 0.854 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.296 -12.504 2.384 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -7.592 -11.293 3.009 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -6.930 -13.575 3.196 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -7.528 -11.150 4.374 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -6.868 -13.443 4.566 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.166 -12.235 5.154 1.00 0.00 C ATOM 1459 OH TYR A 91 -7.093 -12.114 6.523 1.00 0.00 O ATOM 0 H TYR A 91 -7.116 -10.163 0.656 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.235 -12.301 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.288 -12.215 0.494 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.371 -13.705 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.879 -10.445 2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -6.691 -14.526 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.758 -10.200 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.586 -14.287 5.178 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.825 -12.972 6.913 1.00 0.00 H new ATOM 1469 N ASP A 92 -6.894 -11.597 -2.183 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.148 -11.898 -3.602 1.00 0.00 C ATOM 1471 C ASP A 92 -5.923 -11.616 -4.490 1.00 0.00 C ATOM 1472 O ASP A 92 -5.941 -11.948 -5.669 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.390 -11.111 -4.113 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.738 -11.633 -3.573 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -9.863 -11.844 -2.345 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.691 -11.805 -4.367 1.00 0.00 O ATOM 0 H ASP A 92 -7.324 -10.726 -1.871 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.352 -12.966 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.281 -10.063 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.408 -11.151 -5.202 1.00 0.00 H new ATOM 1481 N PHE A 93 -4.851 -11.027 -3.926 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.582 -10.814 -4.664 1.00 0.00 C ATOM 1483 C PHE A 93 -3.050 -12.163 -5.205 1.00 0.00 C ATOM 1484 O PHE A 93 -2.689 -12.283 -6.378 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.515 -10.141 -3.750 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.861 -8.748 -3.207 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -3.989 -8.046 -3.625 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.040 -8.138 -2.270 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.282 -6.794 -3.128 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.328 -6.887 -1.772 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.444 -6.211 -2.198 1.00 0.00 C ATOM 0 H PHE A 93 -4.834 -10.689 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.780 -10.148 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.326 -10.800 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.583 -10.067 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.649 -8.492 -4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.157 -8.655 -1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.164 -6.271 -3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.672 -6.435 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.666 -5.229 -1.808 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.107 -13.175 -4.324 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.654 -14.551 -4.589 1.00 0.00 C ATOM 1503 C GLU A 94 -3.359 -15.199 -5.807 1.00 0.00 C ATOM 1504 O GLU A 94 -2.689 -15.819 -6.639 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.861 -15.393 -3.302 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.805 -15.149 -2.203 1.00 0.00 C ATOM 1507 CD GLU A 94 -0.495 -15.914 -2.465 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -0.422 -17.115 -2.117 1.00 0.00 O ATOM 1509 OE2 GLU A 94 0.454 -15.345 -3.034 1.00 0.00 O ATOM 0 H GLU A 94 -3.480 -13.056 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.597 -14.520 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.848 -15.175 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.852 -16.450 -3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.592 -14.082 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.212 -15.452 -1.238 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.699 -15.043 -5.911 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.486 -15.659 -7.009 1.00 0.00 C ATOM 1518 C LYS A 95 -5.326 -14.893 -8.339 1.00 0.00 C ATOM 1519 O LYS A 95 -5.542 -15.460 -9.414 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.981 -15.806 -6.608 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.710 -14.492 -6.278 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.159 -14.676 -5.752 1.00 0.00 C ATOM 1523 CE LYS A 95 -10.187 -15.033 -6.840 1.00 0.00 C ATOM 1524 NZ LYS A 95 -10.012 -16.398 -7.397 1.00 0.00 N ATOM 0 H LYS A 95 -5.257 -14.499 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.085 -16.659 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.511 -16.301 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.044 -16.464 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.132 -13.948 -5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.738 -13.871 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.161 -15.460 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.474 -13.756 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.190 -14.946 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.114 -14.307 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.945 -16.823 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.481 -16.343 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.487 -16.985 -6.718 1.00 0.00 H new ATOM 1538 N TYR A 96 -4.938 -13.604 -8.256 1.00 0.00 N ATOM 1539 CA TYR A 96 -4.556 -12.797 -9.439 1.00 0.00 C ATOM 1540 C TYR A 96 -3.092 -13.082 -9.846 1.00 0.00 C ATOM 1541 O TYR A 96 -2.645 -12.662 -10.917 1.00 0.00 O ATOM 1542 CB TYR A 96 -4.778 -11.284 -9.168 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.248 -10.825 -9.223 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.177 -11.248 -8.272 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.702 -9.955 -10.217 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.485 -10.824 -8.301 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.016 -9.531 -10.249 1.00 0.00 C ATOM 1548 CZ TYR A 96 -8.900 -9.965 -9.290 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.211 -9.536 -9.323 1.00 0.00 O ATOM 0 H TYR A 96 -4.880 -13.094 -7.375 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.197 -13.085 -10.272 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.373 -11.042 -8.185 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.206 -10.711 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -6.861 -11.926 -7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.014 -9.608 -10.973 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.183 -11.165 -7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.349 -8.859 -11.027 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.339 -8.932 -10.084 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.347 -13.781 -8.970 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.012 -14.293 -9.304 1.00 0.00 C ATOM 1561 C GLY A 97 0.113 -13.432 -8.764 1.00 0.00 C ATOM 1562 O GLY A 97 1.184 -13.326 -9.382 1.00 0.00 O ATOM 0 H GLY A 97 -2.652 -14.003 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.909 -15.304 -8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.918 -14.364 -10.388 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.131 -12.821 -7.599 1.00 0.00 N ATOM 1567 CA PHE A 98 0.834 -11.956 -6.906 1.00 0.00 C ATOM 1568 C PHE A 98 1.225 -12.620 -5.582 1.00 0.00 C ATOM 1569 O PHE A 98 0.380 -12.790 -4.691 1.00 0.00 O ATOM 1570 CB PHE A 98 0.236 -10.541 -6.676 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.218 -9.846 -7.961 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.716 -9.328 -8.859 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.569 -9.722 -8.274 1.00 0.00 C ATOM 1574 CE1 PHE A 98 0.309 -8.709 -10.024 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -1.972 -9.100 -9.441 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.033 -8.599 -10.315 1.00 0.00 C ATOM 0 H PHE A 98 -1.017 -12.914 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 98 1.726 -11.830 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.614 -10.622 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.981 -9.918 -6.181 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.770 -9.412 -8.640 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.312 -10.117 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.044 -8.311 -10.708 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.024 -9.007 -9.667 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.349 -8.119 -11.230 1.00 0.00 H new ATOM 1586 N ARG A 99 2.503 -13.036 -5.512 1.00 0.00 N ATOM 1587 CA ARG A 99 3.136 -13.675 -4.344 1.00 0.00 C ATOM 1588 C ARG A 99 2.942 -12.838 -3.064 1.00 0.00 C ATOM 1589 O ARG A 99 3.125 -11.620 -3.077 1.00 0.00 O ATOM 1590 CB ARG A 99 4.653 -13.896 -4.666 1.00 0.00 C ATOM 1591 CG ARG A 99 5.627 -14.052 -3.470 1.00 0.00 C ATOM 1592 CD ARG A 99 5.373 -15.284 -2.595 1.00 0.00 C ATOM 1593 NE ARG A 99 6.373 -15.385 -1.513 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.192 -16.014 -0.340 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.069 -16.660 -0.067 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.160 -16.001 0.562 1.00 0.00 N ATOM 0 H ARG A 99 3.147 -12.932 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 99 2.660 -14.637 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 99 4.738 -14.788 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.994 -13.055 -5.269 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.647 -14.099 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.561 -13.160 -2.847 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.373 -15.228 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.406 -16.183 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 99 7.277 -14.940 -1.670 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.317 -16.688 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.956 -17.130 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.035 -15.516 0.364 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.031 -16.476 1.455 1.00 0.00 H new ATOM 1610 N MET A 100 2.544 -13.527 -1.978 1.00 0.00 N ATOM 1611 CA MET A 100 2.375 -12.933 -0.636 1.00 0.00 C ATOM 1612 C MET A 100 2.888 -13.885 0.455 1.00 0.00 C ATOM 1613 O MET A 100 2.767 -15.106 0.335 1.00 0.00 O ATOM 1614 CB MET A 100 0.896 -12.588 -0.334 1.00 0.00 C ATOM 1615 CG MET A 100 0.249 -11.544 -1.262 1.00 0.00 C ATOM 1616 SD MET A 100 -0.916 -10.480 -0.396 1.00 0.00 S ATOM 1617 CE MET A 100 -1.893 -11.690 0.480 1.00 0.00 C ATOM 0 H MET A 100 2.328 -14.523 -2.007 1.00 0.00 H new ATOM 0 HA MET A 100 2.959 -12.013 -0.632 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.310 -13.506 -0.387 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.829 -12.226 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.029 -10.931 -1.714 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.266 -12.055 -2.075 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.808 -11.224 0.844 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.146 -12.510 -0.193 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.322 -12.077 1.324 1.00 0.00 H new ATOM 1627 N VAL A 101 3.420 -13.294 1.536 1.00 0.00 N ATOM 1628 CA VAL A 101 3.914 -14.018 2.718 1.00 0.00 C ATOM 1629 C VAL A 101 2.791 -14.108 3.772 1.00 0.00 C ATOM 1630 O VAL A 101 2.203 -13.088 4.141 1.00 0.00 O ATOM 1631 CB VAL A 101 5.164 -13.297 3.357 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.775 -14.120 4.518 1.00 0.00 C ATOM 1633 CG2 VAL A 101 6.220 -12.968 2.280 1.00 0.00 C ATOM 0 H VAL A 101 3.521 -12.282 1.615 1.00 0.00 H new ATOM 0 HA VAL A 101 4.218 -15.015 2.399 1.00 0.00 H new ATOM 0 HB VAL A 101 4.816 -12.357 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.633 -13.588 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.027 -14.260 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.096 -15.092 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.072 -12.472 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.553 -13.890 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.782 -12.310 1.530 1.00 0.00 H new ATOM 1643 N TYR A 102 2.506 -15.335 4.227 1.00 0.00 N ATOM 1644 CA TYR A 102 1.514 -15.621 5.282 1.00 0.00 C ATOM 1645 C TYR A 102 2.221 -16.125 6.552 1.00 0.00 C ATOM 1646 O TYR A 102 3.355 -16.629 6.478 1.00 0.00 O ATOM 1647 CB TYR A 102 0.495 -16.683 4.781 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.494 -16.177 3.715 1.00 0.00 C ATOM 1649 CD1 TYR A 102 -0.133 -16.067 2.367 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.795 -15.794 4.064 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -1.029 -15.604 1.420 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.689 -15.331 3.118 1.00 0.00 C ATOM 1653 CZ TYR A 102 -2.306 -15.235 1.802 1.00 0.00 C ATOM 1654 OH TYR A 102 -3.205 -14.771 0.866 1.00 0.00 O ATOM 0 H TYR A 102 2.964 -16.173 3.869 1.00 0.00 H new ATOM 0 HA TYR A 102 0.978 -14.702 5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.046 -17.530 4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.072 -17.054 5.635 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.864 -16.349 2.061 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.106 -15.862 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.732 -15.531 0.384 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.688 -15.045 3.413 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.055 -14.558 1.306 1.00 0.00 H new ATOM 1664 N ASP A 103 1.529 -15.986 7.704 1.00 0.00 N ATOM 1665 CA ASP A 103 1.975 -16.516 9.014 1.00 0.00 C ATOM 1666 C ASP A 103 3.358 -15.980 9.421 1.00 0.00 C ATOM 1667 O ASP A 103 4.193 -16.727 9.933 1.00 0.00 O ATOM 1668 CB ASP A 103 1.945 -18.079 9.042 1.00 0.00 C ATOM 1669 CG ASP A 103 0.528 -18.649 8.895 1.00 0.00 C ATOM 1670 OD1 ASP A 103 -0.275 -18.510 9.848 1.00 0.00 O ATOM 1671 OD2 ASP A 103 0.195 -19.202 7.825 1.00 0.00 O ATOM 0 H ASP A 103 0.635 -15.497 7.752 1.00 0.00 H new ATOM 0 HA ASP A 103 1.262 -16.155 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.572 -18.464 8.238 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.377 -18.429 9.979 1.00 0.00 H new ATOM 1676 N ASP A 104 3.569 -14.673 9.200 1.00 0.00 N ATOM 1677 CA ASP A 104 4.785 -13.971 9.631 1.00 0.00 C ATOM 1678 C ASP A 104 4.923 -14.029 11.162 1.00 0.00 C ATOM 1679 O ASP A 104 5.795 -14.725 11.679 1.00 0.00 O ATOM 1680 CB ASP A 104 4.760 -12.505 9.129 1.00 0.00 C ATOM 1681 CG ASP A 104 4.970 -12.379 7.626 1.00 0.00 C ATOM 1682 OD1 ASP A 104 3.970 -12.429 6.866 1.00 0.00 O ATOM 1683 OD2 ASP A 104 6.141 -12.223 7.201 1.00 0.00 O ATOM 0 H ASP A 104 2.900 -14.074 8.717 1.00 0.00 H new ATOM 0 HA ASP A 104 5.653 -14.466 9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.804 -12.054 9.394 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.534 -11.938 9.646 1.00 0.00 H new ATOM 1688 N THR A 105 3.995 -13.340 11.851 1.00 0.00 N ATOM 1689 CA THR A 105 3.930 -13.183 13.325 1.00 0.00 C ATOM 1690 C THR A 105 5.244 -12.610 13.936 1.00 0.00 C ATOM 1691 O THR A 105 5.316 -11.412 14.254 1.00 0.00 O ATOM 1692 CB THR A 105 3.424 -14.481 14.053 1.00 0.00 C ATOM 1693 OG1 THR A 105 4.366 -15.553 13.907 1.00 0.00 O ATOM 1694 CG2 THR A 105 2.058 -14.953 13.503 1.00 0.00 C ATOM 0 H THR A 105 3.233 -12.853 11.379 1.00 0.00 H new ATOM 0 HA THR A 105 3.170 -12.424 13.511 1.00 0.00 H new ATOM 0 HB THR A 105 3.315 -14.222 15.106 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.912 -15.402 13.107 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.744 -15.852 14.032 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.316 -14.168 13.649 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.150 -15.172 12.439 1.00 0.00 H new ATOM 1702 N CYS A 106 6.276 -13.454 14.061 1.00 0.00 N ATOM 1703 CA CYS A 106 7.623 -13.039 14.499 1.00 0.00 C ATOM 1704 C CYS A 106 8.562 -13.065 13.274 1.00 0.00 C ATOM 1705 O CYS A 106 9.741 -13.427 13.382 1.00 0.00 O ATOM 1706 CB CYS A 106 8.117 -13.987 15.624 1.00 0.00 C ATOM 1707 SG CYS A 106 9.670 -13.467 16.396 1.00 0.00 S ATOM 0 H CYS A 106 6.204 -14.452 13.861 1.00 0.00 H new ATOM 0 HA CYS A 106 7.607 -12.028 14.906 1.00 0.00 H new ATOM 0 HB2 CYS A 106 7.346 -14.055 16.392 1.00 0.00 H new ATOM 0 HB3 CYS A 106 8.245 -14.988 15.211 1.00 0.00 H new ATOM 0 HG CYS A 106 10.580 -13.315 15.480 1.00 0.00 H new ATOM 1713 N ASP A 107 8.002 -12.623 12.116 1.00 0.00 N ATOM 1714 CA ASP A 107 8.583 -12.797 10.757 1.00 0.00 C ATOM 1715 C ASP A 107 8.615 -14.290 10.370 1.00 0.00 C ATOM 1716 O ASP A 107 8.863 -15.157 11.213 1.00 0.00 O ATOM 1717 CB ASP A 107 9.992 -12.154 10.595 1.00 0.00 C ATOM 1718 CG ASP A 107 10.536 -12.281 9.152 1.00 0.00 C ATOM 1719 OD1 ASP A 107 10.036 -11.558 8.255 1.00 0.00 O ATOM 1720 OD2 ASP A 107 11.444 -13.112 8.895 1.00 0.00 O ATOM 0 H ASP A 107 7.113 -12.124 12.102 1.00 0.00 H new ATOM 0 HA ASP A 107 7.927 -12.260 10.072 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.941 -11.100 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.687 -12.631 11.286 1.00 0.00 H new ATOM 1725 N LYS A 108 8.337 -14.596 9.099 1.00 0.00 N ATOM 1726 CA LYS A 108 8.320 -15.976 8.618 1.00 0.00 C ATOM 1727 C LYS A 108 9.749 -16.373 8.189 1.00 0.00 C ATOM 1728 O LYS A 108 10.263 -15.871 7.190 1.00 0.00 O ATOM 1729 CB LYS A 108 7.292 -16.146 7.467 1.00 0.00 C ATOM 1730 CG LYS A 108 7.033 -17.604 6.986 1.00 0.00 C ATOM 1731 CD LYS A 108 6.427 -18.556 8.076 1.00 0.00 C ATOM 1732 CE LYS A 108 7.482 -19.296 8.929 1.00 0.00 C ATOM 1733 NZ LYS A 108 6.868 -20.121 10.011 1.00 0.00 N ATOM 0 H LYS A 108 8.120 -13.902 8.384 1.00 0.00 H new ATOM 0 HA LYS A 108 8.001 -16.645 9.417 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.343 -15.718 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.633 -15.559 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 108 6.357 -17.576 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.973 -18.029 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 108 5.787 -17.972 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.791 -19.293 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.081 -19.938 8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.161 -18.568 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.606 -20.687 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.418 -19.497 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.152 -20.755 9.601 1.00 0.00 H new ATOM 1747 N LYS A 109 10.399 -17.227 8.990 1.00 0.00 N ATOM 1748 CA LYS A 109 11.774 -17.713 8.719 1.00 0.00 C ATOM 1749 C LYS A 109 11.930 -19.176 9.182 1.00 0.00 C ATOM 1750 O LYS A 109 12.646 -19.965 8.556 1.00 0.00 O ATOM 1751 CB LYS A 109 12.855 -16.791 9.391 1.00 0.00 C ATOM 1752 CG LYS A 109 12.977 -16.881 10.929 1.00 0.00 C ATOM 1753 CD LYS A 109 11.774 -16.279 11.685 1.00 0.00 C ATOM 1754 CE LYS A 109 11.634 -16.831 13.108 1.00 0.00 C ATOM 1755 NZ LYS A 109 12.803 -16.534 13.974 1.00 0.00 N ATOM 0 H LYS A 109 9.994 -17.605 9.846 1.00 0.00 H new ATOM 0 HA LYS A 109 11.937 -17.673 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.826 -17.031 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.634 -15.757 9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.087 -17.927 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.886 -16.367 11.243 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.883 -15.195 11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.860 -16.485 11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 109 10.737 -16.413 13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.493 -17.911 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.644 -16.934 14.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.658 -16.955 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.926 -15.504 14.050 1.00 0.00 H new ATOM 1769 N ASN A 110 11.241 -19.522 10.282 1.00 0.00 N ATOM 1770 CA ASN A 110 11.295 -20.853 10.904 1.00 0.00 C ATOM 1771 C ASN A 110 10.024 -21.043 11.772 1.00 0.00 C ATOM 1772 O ASN A 110 9.085 -21.737 11.315 1.00 0.00 O ATOM 1773 CB ASN A 110 12.602 -21.013 11.739 1.00 0.00 C ATOM 1774 CG ASN A 110 12.706 -22.359 12.464 1.00 0.00 C ATOM 1775 OD1 ASN A 110 12.347 -22.487 13.639 1.00 0.00 O ATOM 1776 ND2 ASN A 110 13.182 -23.375 11.765 1.00 0.00 N ATOM 1777 OXT ASN A 110 9.938 -20.442 12.864 1.00 0.00 O ATOM 0 H ASN A 110 10.622 -18.875 10.770 1.00 0.00 H new ATOM 0 HA ASN A 110 11.316 -21.628 10.138 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.461 -20.898 11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.655 -20.209 12.473 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.261 -24.297 12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 110 13.470 -23.237 10.796 1.00 0.00 H new TER 1784 ASN A 110