USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 738 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 Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -165:sc= -0.0118 (180deg=-0.441) USER MOD Single : A 52 SER OG : rot -45:sc= 1.26 USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.14) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc=-0.00791 K(o=-0.0079,f=-1.1) USER MOD Single : A 65 SER OG : rot 33:sc= 0.406 USER MOD Single : A 66 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD Single : A 72 MET CE :methyl 156:sc= -0.151 (180deg=-0.705) USER MOD Single : A 78 ASN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 MET CE :methyl -165:sc= -0.0106 (180deg=-0.416) USER MOD Single : B 52 SER OG : rot -49:sc= 1.21 USER MOD Single : B 53 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.13) USER MOD Single : B 54 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc=-0.000751 K(o=-0.00075,f=-1) USER MOD Single : B 65 SER OG : rot -121:sc= 0.351 USER MOD Single : B 66 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.52) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 GLN : amide:sc= 0.901 K(o=0.9,f=-0.01) USER MOD Single : B 72 MET CE :methyl 129:sc= -0.105 (180deg=-0.698) USER MOD Single : B 78 ASN : amide:sc= 0.906 K(o=0.91,f=-0.0039) USER MOD Single : B 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 38 -9.774 -15.194 -92.345 1.00 0.00 N ATOM 2 CA ASP A 38 -9.177 -15.847 -93.504 1.00 0.00 C ATOM 3 C ASP A 38 -8.527 -14.832 -94.435 1.00 0.00 C ATOM 4 O ASP A 38 -7.479 -15.097 -95.024 1.00 0.00 O ATOM 5 CB ASP A 38 -10.233 -16.649 -94.271 1.00 0.00 C ATOM 6 CG ASP A 38 -10.797 -17.810 -93.463 1.00 0.00 C ATOM 7 OD1 ASP A 38 -10.023 -18.556 -92.912 1.00 0.00 O ATOM 8 OD2 ASP A 38 -11.996 -17.939 -93.405 1.00 0.00 O ATOM 0 HA ASP A 38 -8.405 -16.525 -93.140 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.047 -15.985 -94.560 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.793 -17.033 -95.191 1.00 0.00 H new ATOM 13 N TYR A 39 -9.155 -13.668 -94.564 1.00 0.00 N ATOM 14 CA TYR A 39 -8.660 -12.625 -95.454 1.00 0.00 C ATOM 15 C TYR A 39 -7.555 -11.813 -94.789 1.00 0.00 C ATOM 16 O TYR A 39 -6.635 -11.338 -95.455 1.00 0.00 O ATOM 17 CB TYR A 39 -9.804 -11.706 -95.891 1.00 0.00 C ATOM 18 CG TYR A 39 -10.730 -12.329 -96.911 1.00 0.00 C ATOM 19 CD1 TYR A 39 -12.105 -12.237 -96.748 1.00 0.00 C ATOM 20 CD2 TYR A 39 -10.206 -12.993 -98.011 1.00 0.00 C ATOM 21 CE1 TYR A 39 -12.952 -12.806 -97.679 1.00 0.00 C ATOM 22 CE2 TYR A 39 -11.053 -13.562 -98.942 1.00 0.00 C ATOM 23 CZ TYR A 39 -12.419 -13.471 -98.779 1.00 0.00 C ATOM 24 OH TYR A 39 -13.263 -14.037 -99.707 1.00 0.00 O ATOM 0 H TYR A 39 -10.009 -13.423 -94.063 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.241 -13.109 -96.336 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.384 -11.421 -95.013 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.384 -10.790 -96.307 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -12.513 -11.720 -95.892 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.136 -13.065 -98.139 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -14.022 -12.735 -97.554 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -10.645 -14.079 -99.798 1.00 0.00 H new ATOM 0 HH TYR A 39 -12.734 -14.462-100.414 1.00 0.00 H new ATOM 34 N LEU A 40 -7.653 -11.657 -93.473 1.00 0.00 N ATOM 35 CA LEU A 40 -6.823 -10.700 -92.752 1.00 0.00 C ATOM 36 C LEU A 40 -5.348 -11.064 -92.852 1.00 0.00 C ATOM 37 O LEU A 40 -4.499 -10.202 -93.083 1.00 0.00 O ATOM 38 CB LEU A 40 -7.242 -10.640 -91.278 1.00 0.00 C ATOM 39 CG LEU A 40 -6.431 -9.684 -90.394 1.00 0.00 C ATOM 40 CD1 LEU A 40 -6.527 -8.271 -90.952 1.00 0.00 C ATOM 41 CD2 LEU A 40 -6.957 -9.744 -88.967 1.00 0.00 C ATOM 0 H LEU A 40 -8.300 -12.182 -92.884 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.967 -9.721 -93.210 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.291 -10.349 -91.229 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.170 -11.643 -90.858 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.382 -9.981 -90.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.951 -7.592 -90.324 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.129 -8.253 -91.967 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.570 -7.955 -90.966 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.381 -9.065 -88.338 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.006 -9.449 -88.953 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.861 -10.761 -88.586 1.00 0.00 H new ATOM 53 N PRO A 41 -5.046 -12.346 -92.676 1.00 0.00 N ATOM 54 CA PRO A 41 -3.675 -12.831 -92.768 1.00 0.00 C ATOM 55 C PRO A 41 -3.003 -12.345 -94.047 1.00 0.00 C ATOM 56 O PRO A 41 -1.831 -11.971 -94.041 1.00 0.00 O ATOM 57 CB PRO A 41 -3.845 -14.352 -92.763 1.00 0.00 C ATOM 58 CG PRO A 41 -5.058 -14.581 -91.927 1.00 0.00 C ATOM 59 CD PRO A 41 -5.995 -13.470 -92.315 1.00 0.00 C ATOM 0 HA PRO A 41 -3.036 -12.473 -91.960 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.978 -14.741 -93.772 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.971 -14.849 -92.342 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.498 -15.559 -92.124 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.820 -14.547 -90.864 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.629 -13.750 -93.156 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.657 -13.193 -91.494 1.00 0.00 H new ATOM 67 N THR A 42 -3.755 -12.354 -95.143 1.00 0.00 N ATOM 68 CA THR A 42 -3.253 -11.861 -96.420 1.00 0.00 C ATOM 69 C THR A 42 -3.083 -10.347 -96.398 1.00 0.00 C ATOM 70 O THR A 42 -2.083 -9.818 -96.882 1.00 0.00 O ATOM 71 CB THR A 42 -4.190 -12.259 -97.575 1.00 0.00 C ATOM 72 OG1 THR A 42 -4.267 -13.689 -97.660 1.00 0.00 O ATOM 73 CG2 THR A 42 -3.675 -11.705 -98.895 1.00 0.00 C ATOM 0 H THR A 42 -4.715 -12.698 -95.172 1.00 0.00 H new ATOM 0 HA THR A 42 -2.278 -12.321 -96.582 1.00 0.00 H new ATOM 0 HB THR A 42 -5.179 -11.845 -97.379 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.865 -13.941 -98.394 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.350 -11.996 -99.700 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.625 -10.618 -98.839 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.680 -12.104 -99.094 1.00 0.00 H new ATOM 81 N LEU A 43 -4.066 -9.655 -95.833 1.00 0.00 N ATOM 82 CA LEU A 43 -4.002 -8.206 -95.695 1.00 0.00 C ATOM 83 C LEU A 43 -2.788 -7.783 -94.876 1.00 0.00 C ATOM 84 O LEU A 43 -2.153 -6.771 -95.168 1.00 0.00 O ATOM 85 CB LEU A 43 -5.282 -7.678 -95.033 1.00 0.00 C ATOM 86 CG LEU A 43 -6.560 -7.794 -95.872 1.00 0.00 C ATOM 87 CD1 LEU A 43 -7.766 -7.431 -95.014 1.00 0.00 C ATOM 88 CD2 LEU A 43 -6.458 -6.882 -97.084 1.00 0.00 C ATOM 0 H LEU A 43 -4.918 -10.076 -95.463 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.909 -7.780 -96.694 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.434 -8.216 -94.097 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.131 -6.629 -94.777 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.683 -8.819 -96.223 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.675 -7.513 -95.610 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.826 -8.112 -94.165 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.661 -6.408 -94.653 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.367 -6.965 -97.680 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.334 -5.851 -96.754 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.600 -7.175 -97.689 1.00 0.00 H new ATOM 100 N ARG A 44 -2.473 -8.566 -93.850 1.00 0.00 N ATOM 101 CA ARG A 44 -1.339 -8.270 -92.982 1.00 0.00 C ATOM 102 C ARG A 44 -0.023 -8.361 -93.744 1.00 0.00 C ATOM 103 O ARG A 44 0.835 -7.487 -93.626 1.00 0.00 O ATOM 104 CB ARG A 44 -1.304 -9.229 -91.801 1.00 0.00 C ATOM 105 CG ARG A 44 -2.423 -9.037 -90.789 1.00 0.00 C ATOM 106 CD ARG A 44 -2.502 -10.175 -89.837 1.00 0.00 C ATOM 107 NE ARG A 44 -1.388 -10.181 -88.904 1.00 0.00 N ATOM 108 CZ ARG A 44 -1.039 -11.231 -88.135 1.00 0.00 C ATOM 109 NH1 ARG A 44 -1.725 -12.350 -88.200 1.00 0.00 N ATOM 110 NH2 ARG A 44 -0.005 -11.137 -87.317 1.00 0.00 N ATOM 0 H ARG A 44 -2.987 -9.411 -93.599 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.464 -7.250 -92.617 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.347 -10.250 -92.179 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.348 -9.118 -91.290 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.260 -8.111 -90.237 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.374 -8.933 -91.312 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.439 -10.120 -89.283 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.515 -11.113 -90.393 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.831 -9.330 -88.826 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.522 -12.424 -88.833 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.461 -13.145 -87.618 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.529 -10.269 -87.268 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.259 -11.932 -86.735 1.00 0.00 H new ATOM 124 N LYS A 45 0.130 -9.425 -94.526 1.00 0.00 N ATOM 125 CA LYS A 45 1.308 -9.593 -95.367 1.00 0.00 C ATOM 126 C LYS A 45 1.392 -8.501 -96.426 1.00 0.00 C ATOM 127 O LYS A 45 2.466 -7.964 -96.693 1.00 0.00 O ATOM 128 CB LYS A 45 1.298 -10.971 -96.033 1.00 0.00 C ATOM 129 CG LYS A 45 1.527 -12.133 -95.076 1.00 0.00 C ATOM 130 CD LYS A 45 1.463 -13.468 -95.803 1.00 0.00 C ATOM 131 CE LYS A 45 1.670 -14.632 -94.844 1.00 0.00 C ATOM 132 NZ LYS A 45 1.575 -15.946 -95.536 1.00 0.00 N ATOM 0 H LYS A 45 -0.548 -10.184 -94.594 1.00 0.00 H new ATOM 0 HA LYS A 45 2.187 -9.514 -94.727 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.340 -11.112 -96.534 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.068 -10.994 -96.804 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.499 -12.025 -94.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.776 -12.110 -94.286 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.497 -13.569 -96.297 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.224 -13.497 -96.582 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.647 -14.542 -94.369 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.924 -14.585 -94.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.722 -16.712 -94.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.634 -16.044 -95.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.303 -16.002 -96.277 1.00 0.00 H new ATOM 146 N GLU A 46 0.251 -8.178 -97.026 1.00 0.00 N ATOM 147 CA GLU A 46 0.185 -7.118 -98.026 1.00 0.00 C ATOM 148 C GLU A 46 0.671 -5.792 -97.456 1.00 0.00 C ATOM 149 O GLU A 46 1.475 -5.096 -98.076 1.00 0.00 O ATOM 150 CB GLU A 46 -1.234 -6.978 -98.556 1.00 0.00 C ATOM 0 H GLU A 46 -0.641 -8.635 -96.837 1.00 0.00 H new ATOM 0 HA GLU A 46 0.844 -7.392 -98.850 1.00 0.00 H new ATOM 155 N LEU A 47 0.177 -5.447 -96.272 1.00 0.00 N ATOM 156 CA LEU A 47 0.549 -4.195 -95.623 1.00 0.00 C ATOM 157 C LEU A 47 2.031 -4.173 -95.274 1.00 0.00 C ATOM 158 O LEU A 47 2.686 -3.134 -95.364 1.00 0.00 O ATOM 159 CB LEU A 47 -0.285 -3.988 -94.353 1.00 0.00 C ATOM 160 CG LEU A 47 -1.774 -3.691 -94.575 1.00 0.00 C ATOM 161 CD1 LEU A 47 -2.493 -3.670 -93.233 1.00 0.00 C ATOM 162 CD2 LEU A 47 -1.924 -2.361 -95.297 1.00 0.00 C ATOM 0 H LEU A 47 -0.482 -6.017 -95.742 1.00 0.00 H new ATOM 0 HA LEU A 47 0.350 -3.384 -96.324 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.200 -4.882 -93.735 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.150 -3.165 -93.785 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.222 -4.470 -95.193 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.551 -3.459 -93.390 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.385 -4.640 -92.747 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.059 -2.896 -92.600 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.982 -2.150 -95.455 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.482 -1.568 -94.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.416 -2.411 -96.260 1.00 0.00 H new ATOM 174 N MET A 48 2.556 -5.327 -94.875 1.00 0.00 N ATOM 175 CA MET A 48 3.980 -5.463 -94.590 1.00 0.00 C ATOM 176 C MET A 48 4.821 -5.135 -95.818 1.00 0.00 C ATOM 177 O MET A 48 5.799 -4.393 -95.731 1.00 0.00 O ATOM 178 CB MET A 48 4.287 -6.875 -94.095 1.00 0.00 C ATOM 179 CG MET A 48 5.722 -7.082 -93.634 1.00 0.00 C ATOM 180 SD MET A 48 6.001 -8.729 -92.952 1.00 0.00 S ATOM 181 CE MET A 48 5.130 -8.603 -91.394 1.00 0.00 C ATOM 0 H MET A 48 2.016 -6.182 -94.742 1.00 0.00 H new ATOM 0 HA MET A 48 4.239 -4.750 -93.807 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.616 -7.111 -93.270 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.070 -7.583 -94.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.397 -6.922 -94.475 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.969 -6.334 -92.881 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.425 -9.427 -90.745 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.378 -7.656 -90.914 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.056 -8.649 -91.573 1.00 0.00 H new ATOM 191 N GLU A 49 4.434 -5.693 -96.960 1.00 0.00 N ATOM 192 CA GLU A 49 5.067 -5.357 -98.229 1.00 0.00 C ATOM 193 C GLU A 49 5.005 -3.858 -98.496 1.00 0.00 C ATOM 194 O GLU A 49 6.009 -3.238 -98.845 1.00 0.00 O ATOM 195 CB GLU A 49 4.397 -6.117 -99.377 1.00 0.00 C ATOM 196 CG GLU A 49 4.970 -5.809-100.753 1.00 0.00 C ATOM 197 CD GLU A 49 4.263 -6.544-101.858 1.00 0.00 C ATOM 198 OE1 GLU A 49 3.459 -7.393-101.561 1.00 0.00 O ATOM 199 OE2 GLU A 49 4.530 -6.255-103.001 1.00 0.00 O ATOM 0 H GLU A 49 3.684 -6.381 -97.032 1.00 0.00 H new ATOM 0 HA GLU A 49 6.115 -5.652 -98.167 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.488 -7.187 -99.190 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.332 -5.883 -99.379 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.905 -4.737-100.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.028 -6.071-100.768 1.00 0.00 H new ATOM 206 N VAL A 50 3.819 -3.282 -98.330 1.00 0.00 N ATOM 207 CA VAL A 50 3.618 -1.858 -98.576 1.00 0.00 C ATOM 208 C VAL A 50 4.552 -1.014 -97.720 1.00 0.00 C ATOM 209 O VAL A 50 5.119 -0.028 -98.191 1.00 0.00 O ATOM 210 CB VAL A 50 2.158 -1.467 -98.279 1.00 0.00 C ATOM 211 CG1 VAL A 50 2.007 0.048 -98.262 1.00 0.00 C ATOM 212 CG2 VAL A 50 1.234 -2.089 -99.313 1.00 0.00 C ATOM 0 H VAL A 50 2.982 -3.779 -98.026 1.00 0.00 H new ATOM 0 HA VAL A 50 3.841 -1.667 -99.626 1.00 0.00 H new ATOM 0 HB VAL A 50 1.883 -1.846 -97.295 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.970 0.308 -98.051 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.651 0.469 -97.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.292 0.453 -99.233 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.203 -1.808 -99.096 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.506 -1.732-100.306 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.329 -3.174 -99.279 1.00 0.00 H new ATOM 222 N LEU A 51 4.710 -1.407 -96.461 1.00 0.00 N ATOM 223 CA LEU A 51 5.584 -0.691 -95.538 1.00 0.00 C ATOM 224 C LEU A 51 7.037 -0.760 -95.991 1.00 0.00 C ATOM 225 O LEU A 51 7.740 0.250 -96.006 1.00 0.00 O ATOM 226 CB LEU A 51 5.454 -1.273 -94.125 1.00 0.00 C ATOM 227 CG LEU A 51 4.115 -1.021 -93.422 1.00 0.00 C ATOM 228 CD1 LEU A 51 4.016 -1.902 -92.185 1.00 0.00 C ATOM 229 CD2 LEU A 51 4.004 0.452 -93.054 1.00 0.00 C ATOM 0 H LEU A 51 4.244 -2.218 -96.055 1.00 0.00 H new ATOM 0 HA LEU A 51 5.276 0.354 -95.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.618 -2.349 -94.179 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.251 -0.860 -93.507 1.00 0.00 H new ATOM 0 HG LEU A 51 3.291 -1.272 -94.090 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.064 -1.722 -91.686 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.080 -2.950 -92.479 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.833 -1.666 -91.504 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.052 0.631 -92.554 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.821 0.723 -92.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.059 1.058 -93.958 1.00 0.00 H new ATOM 241 N SER A 52 7.480 -1.957 -96.360 1.00 0.00 N ATOM 242 CA SER A 52 8.878 -2.181 -96.709 1.00 0.00 C ATOM 243 C SER A 52 9.273 -1.382 -97.944 1.00 0.00 C ATOM 244 O SER A 52 10.441 -1.041 -98.127 1.00 0.00 O ATOM 245 CB SER A 52 9.124 -3.658 -96.952 1.00 0.00 C ATOM 246 OG SER A 52 8.457 -4.095 -98.104 1.00 0.00 O ATOM 0 H SER A 52 6.891 -2.787 -96.425 1.00 0.00 H new ATOM 0 HA SER A 52 9.491 -1.844 -95.873 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.194 -3.840 -97.056 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.785 -4.233 -96.091 1.00 0.00 H new ATOM 0 HG SER A 52 7.545 -3.738 -98.109 1.00 0.00 H new ATOM 252 N LYS A 53 8.291 -1.084 -98.788 1.00 0.00 N ATOM 253 CA LYS A 53 8.551 -0.427-100.063 1.00 0.00 C ATOM 254 C LYS A 53 8.297 1.073 -99.972 1.00 0.00 C ATOM 255 O LYS A 53 9.062 1.876-100.507 1.00 0.00 O ATOM 256 CB LYS A 53 7.688 -1.040-101.168 1.00 0.00 C ATOM 257 CG LYS A 53 8.074 -2.463-101.549 1.00 0.00 C ATOM 258 CD LYS A 53 7.150 -3.016-102.623 1.00 0.00 C ATOM 259 CE LYS A 53 7.614 -4.385-103.102 1.00 0.00 C ATOM 260 NZ LYS A 53 6.676 -4.974-104.097 1.00 0.00 N ATOM 0 H LYS A 53 7.307 -1.287 -98.612 1.00 0.00 H new ATOM 0 HA LYS A 53 9.602 -0.581-100.308 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.647 -1.033-100.846 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.752 -0.409-102.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.103 -2.480-101.908 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.034 -3.102-100.667 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.136 -3.090-102.230 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.115 -2.326-103.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.606 -4.297-103.546 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.706 -5.056-102.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.201 -5.600-104.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.944 -5.522-103.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.227 -4.212-104.644 1.00 0.00 H new ATOM 274 N TYR A 54 7.217 1.444 -99.293 1.00 0.00 N ATOM 275 CA TYR A 54 6.841 2.847 -99.159 1.00 0.00 C ATOM 276 C TYR A 54 7.637 3.528 -98.053 1.00 0.00 C ATOM 277 O TYR A 54 8.334 4.513 -98.294 1.00 0.00 O ATOM 278 CB TYR A 54 5.340 2.975 -98.889 1.00 0.00 C ATOM 279 CG TYR A 54 4.473 2.633-100.081 1.00 0.00 C ATOM 280 CD1 TYR A 54 5.036 2.029-101.196 1.00 0.00 C ATOM 281 CD2 TYR A 54 3.117 2.923-100.058 1.00 0.00 C ATOM 282 CE1 TYR A 54 4.244 1.716-102.284 1.00 0.00 C ATOM 283 CE2 TYR A 54 2.326 2.611-101.147 1.00 0.00 C ATOM 284 CZ TYR A 54 2.885 2.010-102.256 1.00 0.00 C ATOM 285 OH TYR A 54 2.097 1.699-103.340 1.00 0.00 O ATOM 0 H TYR A 54 6.586 0.792 -98.827 1.00 0.00 H new ATOM 0 HA TYR A 54 7.074 3.347-100.099 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.073 2.322 -98.058 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.123 3.996 -98.575 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.092 1.804-101.213 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.680 3.392 -99.189 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.679 1.245-103.153 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.270 2.838-101.130 1.00 0.00 H new ATOM 0 HH TYR A 54 1.172 1.968-103.160 1.00 0.00 H new ATOM 295 N VAL A 55 7.528 2.997 -96.840 1.00 0.00 N ATOM 296 CA VAL A 55 8.146 3.618 -95.674 1.00 0.00 C ATOM 297 C VAL A 55 9.666 3.555 -95.758 1.00 0.00 C ATOM 298 O VAL A 55 10.365 4.319 -95.092 1.00 0.00 O ATOM 299 CB VAL A 55 7.676 2.919 -94.385 1.00 0.00 C ATOM 300 CG1 VAL A 55 8.445 3.446 -93.183 1.00 0.00 C ATOM 301 CG2 VAL A 55 6.180 3.121 -94.201 1.00 0.00 C ATOM 0 H VAL A 55 7.017 2.137 -96.638 1.00 0.00 H new ATOM 0 HA VAL A 55 7.841 4.664 -95.654 1.00 0.00 H new ATOM 0 HB VAL A 55 7.874 1.850 -94.470 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.100 2.941 -92.281 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.510 3.256 -93.321 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.277 4.519 -93.085 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.855 2.624 -93.287 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.963 4.187 -94.131 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.648 2.698 -95.053 1.00 0.00 H new ATOM 311 N ASN A 56 10.171 2.642 -96.579 1.00 0.00 N ATOM 312 CA ASN A 56 11.602 2.371 -96.635 1.00 0.00 C ATOM 313 C ASN A 56 12.099 1.761 -95.331 1.00 0.00 C ATOM 314 O ASN A 56 12.621 2.462 -94.465 1.00 0.00 O ATOM 315 CB ASN A 56 12.374 3.636 -96.961 1.00 0.00 C ATOM 316 CG ASN A 56 11.992 4.220 -98.293 1.00 0.00 C ATOM 317 OD1 ASN A 56 12.139 3.569 -99.334 1.00 0.00 O ATOM 318 ND2 ASN A 56 11.504 5.433 -98.280 1.00 0.00 N ATOM 0 H ASN A 56 9.610 2.076 -97.216 1.00 0.00 H new ATOM 0 HA ASN A 56 11.774 1.646 -97.431 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.198 4.376 -96.180 1.00 0.00 H new ATOM 0 HB3 ASN A 56 13.442 3.417 -96.957 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.226 5.880 -99.154 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.401 5.932 -97.396 1.00 0.00 H new ATOM 325 N VAL A 57 11.932 0.450 -95.195 1.00 0.00 N ATOM 326 CA VAL A 57 12.161 -0.225 -93.923 1.00 0.00 C ATOM 327 C VAL A 57 12.303 -1.729 -94.114 1.00 0.00 C ATOM 328 O VAL A 57 11.765 -2.298 -95.064 1.00 0.00 O ATOM 329 CB VAL A 57 10.999 0.058 -92.952 1.00 0.00 C ATOM 330 CG1 VAL A 57 9.711 -0.569 -93.465 1.00 0.00 C ATOM 331 CG2 VAL A 57 11.341 -0.468 -91.567 1.00 0.00 C ATOM 0 H VAL A 57 11.638 -0.167 -95.952 1.00 0.00 H new ATOM 0 HA VAL A 57 13.090 0.162 -93.506 1.00 0.00 H new ATOM 0 HB VAL A 57 10.847 1.135 -92.887 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.901 -0.359 -92.767 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.466 -0.150 -94.441 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.842 -1.647 -93.555 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.515 -0.264 -90.886 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.512 -1.543 -91.618 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.242 0.026 -91.202 1.00 0.00 H new ATOM 341 N SER A 58 13.033 -2.369 -93.207 1.00 0.00 N ATOM 342 CA SER A 58 13.280 -3.803 -93.295 1.00 0.00 C ATOM 343 C SER A 58 12.151 -4.597 -92.649 1.00 0.00 C ATOM 344 O SER A 58 11.509 -4.129 -91.709 1.00 0.00 O ATOM 345 CB SER A 58 14.597 -4.149 -92.629 1.00 0.00 C ATOM 346 OG SER A 58 14.773 -5.537 -92.552 1.00 0.00 O ATOM 0 H SER A 58 13.465 -1.916 -92.401 1.00 0.00 H new ATOM 0 HA SER A 58 13.327 -4.071 -94.351 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.420 -3.705 -93.190 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.626 -3.719 -91.628 1.00 0.00 H new ATOM 0 HG SER A 58 15.630 -5.735 -92.120 1.00 0.00 H new ATOM 352 N LEU A 59 11.913 -5.801 -93.160 1.00 0.00 N ATOM 353 CA LEU A 59 10.868 -6.666 -92.627 1.00 0.00 C ATOM 354 C LEU A 59 11.101 -6.970 -91.153 1.00 0.00 C ATOM 355 O LEU A 59 10.153 -7.112 -90.380 1.00 0.00 O ATOM 356 CB LEU A 59 10.809 -7.976 -93.422 1.00 0.00 C ATOM 357 CG LEU A 59 10.412 -7.842 -94.898 1.00 0.00 C ATOM 358 CD1 LEU A 59 10.515 -9.201 -95.578 1.00 0.00 C ATOM 359 CD2 LEU A 59 8.999 -7.287 -94.996 1.00 0.00 C ATOM 0 H LEU A 59 12.431 -6.199 -93.943 1.00 0.00 H new ATOM 0 HA LEU A 59 9.918 -6.140 -92.723 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.787 -8.455 -93.370 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.100 -8.644 -92.933 1.00 0.00 H new ATOM 0 HG LEU A 59 11.088 -7.152 -95.404 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.233 -9.106 -96.627 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.540 -9.565 -95.510 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.846 -9.906 -95.085 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.717 -7.192 -96.045 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.307 -7.963 -94.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.959 -6.308 -94.519 1.00 0.00 H new ATOM 371 N ASP A 60 12.369 -7.068 -90.768 1.00 0.00 N ATOM 372 CA ASP A 60 12.731 -7.335 -89.381 1.00 0.00 C ATOM 373 C ASP A 60 12.259 -6.215 -88.463 1.00 0.00 C ATOM 374 O ASP A 60 12.079 -6.417 -87.262 1.00 0.00 O ATOM 375 CB ASP A 60 14.245 -7.510 -89.245 1.00 0.00 C ATOM 376 CG ASP A 60 14.746 -8.819 -89.841 1.00 0.00 C ATOM 377 OD1 ASP A 60 13.939 -9.684 -90.087 1.00 0.00 O ATOM 378 OD2 ASP A 60 15.930 -8.941 -90.043 1.00 0.00 O ATOM 0 H ASP A 60 13.164 -6.966 -91.398 1.00 0.00 H new ATOM 0 HA ASP A 60 12.235 -8.259 -89.083 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.748 -6.677 -89.736 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.517 -7.469 -88.190 1.00 0.00 H new ATOM 383 N ASN A 61 12.058 -5.032 -89.035 1.00 0.00 N ATOM 384 CA ASN A 61 11.683 -3.858 -88.257 1.00 0.00 C ATOM 385 C ASN A 61 10.180 -3.613 -88.317 1.00 0.00 C ATOM 386 O ASN A 61 9.695 -2.565 -87.891 1.00 0.00 O ATOM 387 CB ASN A 61 12.444 -2.635 -88.736 1.00 0.00 C ATOM 388 CG ASN A 61 13.914 -2.714 -88.434 1.00 0.00 C ATOM 389 OD1 ASN A 61 14.322 -3.306 -87.429 1.00 0.00 O ATOM 390 ND2 ASN A 61 14.717 -2.127 -89.284 1.00 0.00 N ATOM 0 H ASN A 61 12.149 -4.862 -90.037 1.00 0.00 H new ATOM 0 HA ASN A 61 11.949 -4.046 -87.217 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.303 -2.522 -89.811 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.027 -1.745 -88.265 1.00 0.00 H new ATOM 0 HD21 ASN A 61 15.725 -2.147 -89.130 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.335 -1.650 -90.101 1.00 0.00 H new ATOM 397 N ILE A 62 9.449 -4.587 -88.848 1.00 0.00 N ATOM 398 CA ILE A 62 7.998 -4.487 -88.948 1.00 0.00 C ATOM 399 C ILE A 62 7.312 -5.510 -88.051 1.00 0.00 C ATOM 400 O ILE A 62 7.609 -6.702 -88.114 1.00 0.00 O ATOM 401 CB ILE A 62 7.532 -4.685 -90.402 1.00 0.00 C ATOM 402 CG1 ILE A 62 8.133 -3.606 -91.307 1.00 0.00 C ATOM 403 CG2 ILE A 62 6.014 -4.666 -90.482 1.00 0.00 C ATOM 404 CD1 ILE A 62 7.901 -3.846 -92.781 1.00 0.00 C ATOM 0 H ILE A 62 9.838 -5.455 -89.216 1.00 0.00 H new ATOM 0 HA ILE A 62 7.719 -3.487 -88.617 1.00 0.00 H new ATOM 0 HB ILE A 62 7.881 -5.658 -90.748 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.709 -2.639 -91.035 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.206 -3.547 -91.123 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.702 -4.807 -91.517 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.607 -5.469 -89.868 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.642 -3.708 -90.119 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.356 -3.040 -93.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.350 -4.796 -93.070 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.830 -3.875 -92.981 1.00 0.00 H new ATOM 416 N ARG A 63 6.393 -5.036 -87.217 1.00 0.00 N ATOM 417 CA ARG A 63 5.559 -5.920 -86.413 1.00 0.00 C ATOM 418 C ARG A 63 4.079 -5.658 -86.662 1.00 0.00 C ATOM 419 O ARG A 63 3.591 -4.548 -86.449 1.00 0.00 O ATOM 420 CB ARG A 63 5.860 -5.742 -84.932 1.00 0.00 C ATOM 421 CG ARG A 63 7.277 -6.107 -84.520 1.00 0.00 C ATOM 422 CD ARG A 63 7.520 -7.569 -84.623 1.00 0.00 C ATOM 423 NE ARG A 63 8.861 -7.929 -84.193 1.00 0.00 N ATOM 424 CZ ARG A 63 9.949 -7.912 -84.988 1.00 0.00 C ATOM 425 NH1 ARG A 63 9.838 -7.552 -86.248 1.00 0.00 N ATOM 426 NH2 ARG A 63 11.128 -8.256 -84.501 1.00 0.00 N ATOM 0 H ARG A 63 6.207 -4.042 -87.080 1.00 0.00 H new ATOM 0 HA ARG A 63 5.789 -6.944 -86.708 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.674 -4.703 -84.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.162 -6.351 -84.358 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.988 -5.575 -85.152 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.454 -5.780 -83.495 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.789 -8.102 -84.015 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.371 -7.890 -85.654 1.00 0.00 H new ATOM 0 HE ARG A 63 8.987 -8.214 -83.222 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.928 -7.285 -86.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.662 -7.539 -86.849 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.215 -8.534 -83.524 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.952 -8.243 -85.102 1.00 0.00 H new ATOM 440 N ILE A 64 3.368 -6.686 -87.115 1.00 0.00 N ATOM 441 CA ILE A 64 1.931 -6.587 -87.334 1.00 0.00 C ATOM 442 C ILE A 64 1.177 -7.634 -86.527 1.00 0.00 C ATOM 443 O ILE A 64 1.433 -8.832 -86.655 1.00 0.00 O ATOM 444 CB ILE A 64 1.592 -6.743 -88.828 1.00 0.00 C ATOM 445 CG1 ILE A 64 2.308 -5.673 -89.654 1.00 0.00 C ATOM 446 CG2 ILE A 64 0.088 -6.668 -89.042 1.00 0.00 C ATOM 447 CD1 ILE A 64 2.143 -5.843 -91.147 1.00 0.00 C ATOM 0 H ILE A 64 3.766 -7.599 -87.338 1.00 0.00 H new ATOM 0 HA ILE A 64 1.619 -5.598 -87.000 1.00 0.00 H new ATOM 0 HB ILE A 64 1.938 -7.721 -89.161 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.931 -4.692 -89.366 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.370 -5.690 -89.411 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.135 -6.780 -90.103 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.399 -7.467 -88.483 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.281 -5.703 -88.694 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.678 -5.047 -91.665 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.547 -6.809 -91.450 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.085 -5.795 -91.404 1.00 0.00 H new ATOM 459 N SER A 65 0.245 -7.178 -85.697 1.00 0.00 N ATOM 460 CA SER A 65 -0.450 -8.059 -84.767 1.00 0.00 C ATOM 461 C SER A 65 -1.930 -7.710 -84.679 1.00 0.00 C ATOM 462 O SER A 65 -2.450 -6.958 -85.503 1.00 0.00 O ATOM 463 CB SER A 65 0.181 -7.971 -83.391 1.00 0.00 C ATOM 464 OG SER A 65 -0.329 -8.958 -82.539 1.00 0.00 O ATOM 0 H SER A 65 -0.047 -6.202 -85.650 1.00 0.00 H new ATOM 0 HA SER A 65 -0.360 -9.079 -85.141 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.262 -8.082 -83.475 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.006 -6.986 -82.964 1.00 0.00 H new ATOM 0 HG SER A 65 -0.540 -9.762 -83.059 1.00 0.00 H new ATOM 470 N GLN A 66 -2.605 -8.260 -83.675 1.00 0.00 N ATOM 471 CA GLN A 66 -4.044 -8.081 -83.530 1.00 0.00 C ATOM 472 C GLN A 66 -4.483 -8.290 -82.087 1.00 0.00 C ATOM 473 O GLN A 66 -4.070 -9.250 -81.435 1.00 0.00 O ATOM 474 CB GLN A 66 -4.799 -9.044 -84.450 1.00 0.00 C ATOM 475 CG GLN A 66 -6.310 -8.897 -84.402 1.00 0.00 C ATOM 476 CD GLN A 66 -7.020 -9.919 -85.270 1.00 0.00 C ATOM 477 OE1 GLN A 66 -6.601 -11.077 -85.358 1.00 0.00 O ATOM 478 NE2 GLN A 66 -8.100 -9.496 -85.916 1.00 0.00 N ATOM 0 H GLN A 66 -2.177 -8.834 -82.949 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.281 -7.056 -83.815 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.463 -8.888 -85.475 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.536 -10.067 -84.181 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.650 -9.001 -83.372 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.585 -7.894 -84.728 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.410 -8.530 -85.813 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.620 -10.137 -86.515 1.00 0.00 H new ATOM 487 N GLU A 67 -5.322 -7.386 -81.592 1.00 0.00 N ATOM 488 CA GLU A 67 -5.855 -7.496 -80.239 1.00 0.00 C ATOM 489 C GLU A 67 -7.370 -7.344 -80.230 1.00 0.00 C ATOM 490 O GLU A 67 -7.956 -6.808 -81.172 1.00 0.00 O ATOM 491 CB GLU A 67 -5.222 -6.440 -79.329 1.00 0.00 C ATOM 492 CG GLU A 67 -5.548 -5.004 -79.711 1.00 0.00 C ATOM 493 CD GLU A 67 -4.900 -3.996 -78.803 1.00 0.00 C ATOM 494 OE1 GLU A 67 -4.216 -4.398 -77.892 1.00 0.00 O ATOM 495 OE2 GLU A 67 -5.090 -2.822 -79.020 1.00 0.00 O ATOM 0 H GLU A 67 -5.648 -6.569 -82.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.607 -8.489 -79.863 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.553 -6.615 -78.305 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.140 -6.569 -79.341 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.224 -4.823 -80.736 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.629 -4.864 -79.689 1.00 0.00 H new ATOM 502 N LYS A 68 -8.002 -7.817 -79.162 1.00 0.00 N ATOM 503 CA LYS A 68 -9.451 -7.740 -79.031 1.00 0.00 C ATOM 504 C LYS A 68 -9.872 -6.457 -78.323 1.00 0.00 C ATOM 505 O LYS A 68 -9.402 -6.160 -77.225 1.00 0.00 O ATOM 506 CB LYS A 68 -9.989 -8.956 -78.276 1.00 0.00 C ATOM 507 CG LYS A 68 -11.505 -9.005 -78.158 1.00 0.00 C ATOM 508 CD LYS A 68 -11.963 -10.264 -77.435 1.00 0.00 C ATOM 509 CE LYS A 68 -13.478 -10.303 -77.297 1.00 0.00 C ATOM 510 NZ LYS A 68 -13.941 -11.530 -76.594 1.00 0.00 N ATOM 0 H LYS A 68 -7.531 -8.259 -78.372 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.875 -7.732 -80.035 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.647 -9.861 -78.779 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.559 -8.966 -77.275 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.859 -8.125 -77.620 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.951 -8.971 -79.152 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.623 -11.144 -77.981 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.505 -10.306 -76.447 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.815 -9.422 -76.750 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.934 -10.258 -78.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.978 -11.518 -76.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.642 -12.370 -77.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.527 -11.561 -75.640 1.00 0.00 H new ATOM 524 N GLN A 69 -10.760 -5.701 -78.960 1.00 0.00 N ATOM 525 CA GLN A 69 -11.347 -4.520 -78.337 1.00 0.00 C ATOM 526 C GLN A 69 -12.867 -4.551 -78.419 1.00 0.00 C ATOM 527 O GLN A 69 -13.445 -4.395 -79.495 1.00 0.00 O ATOM 528 CB GLN A 69 -10.814 -3.246 -78.998 1.00 0.00 C ATOM 529 CG GLN A 69 -11.383 -1.961 -78.420 1.00 0.00 C ATOM 530 CD GLN A 69 -10.924 -1.714 -76.995 1.00 0.00 C ATOM 531 OE1 GLN A 69 -9.732 -1.528 -76.735 1.00 0.00 O ATOM 532 NE2 GLN A 69 -11.870 -1.712 -76.062 1.00 0.00 N ATOM 0 H GLN A 69 -11.089 -5.885 -79.908 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.061 -4.522 -77.285 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -9.729 -3.226 -78.900 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.038 -3.282 -80.064 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.083 -1.120 -79.046 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.472 -2.005 -78.445 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.843 -1.870 -76.322 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.623 -1.552 -75.085 1.00 0.00 H new ATOM 541 N ASP A 70 -13.512 -4.755 -77.275 1.00 0.00 N ATOM 542 CA ASP A 70 -14.965 -4.872 -77.224 1.00 0.00 C ATOM 543 C ASP A 70 -15.437 -6.163 -77.883 1.00 0.00 C ATOM 544 O ASP A 70 -14.974 -7.250 -77.542 1.00 0.00 O ATOM 545 CB ASP A 70 -15.624 -3.672 -77.909 1.00 0.00 C ATOM 546 CG ASP A 70 -15.189 -2.340 -77.314 1.00 0.00 C ATOM 547 OD1 ASP A 70 -14.654 -2.340 -76.231 1.00 0.00 O ATOM 548 OD2 ASP A 70 -15.397 -1.333 -77.949 1.00 0.00 O ATOM 0 H ASP A 70 -13.051 -4.843 -76.370 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.259 -4.892 -76.175 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -15.380 -3.687 -78.971 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.707 -3.764 -77.829 1.00 0.00 H new ATOM 553 N GLY A 71 -16.361 -6.034 -78.829 1.00 0.00 N ATOM 554 CA GLY A 71 -16.874 -7.186 -79.561 1.00 0.00 C ATOM 555 C GLY A 71 -16.228 -7.296 -80.936 1.00 0.00 C ATOM 556 O GLY A 71 -16.752 -7.967 -81.826 1.00 0.00 O ATOM 0 H GLY A 71 -16.770 -5.142 -79.107 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -16.683 -8.096 -78.992 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.955 -7.099 -79.670 1.00 0.00 H new ATOM 560 N MET A 72 -15.088 -6.636 -81.104 1.00 0.00 N ATOM 561 CA MET A 72 -14.350 -6.688 -82.360 1.00 0.00 C ATOM 562 C MET A 72 -12.847 -6.725 -82.115 1.00 0.00 C ATOM 563 O MET A 72 -12.389 -6.583 -80.981 1.00 0.00 O ATOM 564 CB MET A 72 -14.718 -5.494 -83.238 1.00 0.00 C ATOM 565 CG MET A 72 -14.325 -4.142 -82.659 1.00 0.00 C ATOM 566 SD MET A 72 -15.072 -2.761 -83.548 1.00 0.00 S ATOM 567 CE MET A 72 -16.799 -2.983 -83.129 1.00 0.00 C ATOM 0 H MET A 72 -14.654 -6.058 -80.385 1.00 0.00 H new ATOM 0 HA MET A 72 -14.627 -7.606 -82.878 1.00 0.00 H new ATOM 0 HB2 MET A 72 -14.239 -5.612 -84.210 1.00 0.00 H new ATOM 0 HB3 MET A 72 -15.794 -5.503 -83.410 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.624 -4.099 -81.612 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.240 -4.042 -82.685 1.00 0.00 H new ATOM 0 HE1 MET A 72 -17.321 -2.031 -83.221 1.00 0.00 H new ATOM 0 HE2 MET A 72 -17.247 -3.710 -83.807 1.00 0.00 H new ATOM 0 HE3 MET A 72 -16.881 -3.344 -82.104 1.00 0.00 H new ATOM 577 N ASP A 73 -12.082 -6.915 -83.185 1.00 0.00 N ATOM 578 CA ASP A 73 -10.627 -6.932 -83.094 1.00 0.00 C ATOM 579 C ASP A 73 -10.020 -5.702 -83.756 1.00 0.00 C ATOM 580 O ASP A 73 -10.663 -5.043 -84.572 1.00 0.00 O ATOM 581 CB ASP A 73 -10.064 -8.199 -83.742 1.00 0.00 C ATOM 582 CG ASP A 73 -10.449 -9.469 -82.996 1.00 0.00 C ATOM 583 OD1 ASP A 73 -10.207 -9.537 -81.814 1.00 0.00 O ATOM 584 OD2 ASP A 73 -10.983 -10.359 -83.614 1.00 0.00 O ATOM 0 H ASP A 73 -12.447 -7.060 -84.127 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.361 -6.922 -82.037 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.422 -8.265 -84.769 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.977 -8.126 -83.787 1.00 0.00 H new ATOM 589 N VAL A 74 -8.777 -5.398 -83.399 1.00 0.00 N ATOM 590 CA VAL A 74 -8.077 -4.250 -83.964 1.00 0.00 C ATOM 591 C VAL A 74 -6.742 -4.664 -84.571 1.00 0.00 C ATOM 592 O VAL A 74 -5.966 -5.393 -83.952 1.00 0.00 O ATOM 593 CB VAL A 74 -7.836 -3.184 -82.878 1.00 0.00 C ATOM 594 CG1 VAL A 74 -7.043 -2.017 -83.446 1.00 0.00 C ATOM 595 CG2 VAL A 74 -9.165 -2.710 -82.314 1.00 0.00 C ATOM 0 H VAL A 74 -8.233 -5.931 -82.720 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.704 -3.833 -84.752 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.254 -3.627 -82.070 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.881 -1.273 -82.666 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.080 -2.375 -83.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.598 -1.566 -84.268 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.987 -1.957 -81.547 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.766 -2.278 -83.114 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.697 -3.555 -81.876 1.00 0.00 H new ATOM 605 N LEU A 75 -6.480 -4.194 -85.786 1.00 0.00 N ATOM 606 CA LEU A 75 -5.225 -4.490 -86.468 1.00 0.00 C ATOM 607 C LEU A 75 -4.156 -3.461 -86.123 1.00 0.00 C ATOM 608 O LEU A 75 -4.380 -2.257 -86.237 1.00 0.00 O ATOM 609 CB LEU A 75 -5.442 -4.522 -87.986 1.00 0.00 C ATOM 610 CG LEU A 75 -4.195 -4.818 -88.829 1.00 0.00 C ATOM 611 CD1 LEU A 75 -3.719 -6.238 -88.550 1.00 0.00 C ATOM 612 CD2 LEU A 75 -4.524 -4.631 -90.303 1.00 0.00 C ATOM 0 H LEU A 75 -7.121 -3.606 -86.319 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.883 -5.468 -86.131 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.197 -5.275 -88.211 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.849 -3.560 -88.297 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.393 -4.128 -88.565 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.833 -6.449 -89.149 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.475 -6.339 -87.492 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.508 -6.944 -88.809 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.639 -4.841 -90.903 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.325 -5.314 -90.587 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.845 -3.604 -90.477 1.00 0.00 H new ATOM 624 N GLU A 76 -2.992 -3.945 -85.700 1.00 0.00 N ATOM 625 CA GLU A 76 -1.945 -3.075 -85.177 1.00 0.00 C ATOM 626 C GLU A 76 -0.642 -3.260 -85.943 1.00 0.00 C ATOM 627 O GLU A 76 -0.142 -4.377 -86.075 1.00 0.00 O ATOM 628 CB GLU A 76 -1.718 -3.351 -83.689 1.00 0.00 C ATOM 629 CG GLU A 76 -0.617 -2.512 -83.056 1.00 0.00 C ATOM 630 CD GLU A 76 -0.409 -2.822 -81.600 1.00 0.00 C ATOM 631 OE1 GLU A 76 -1.310 -3.343 -80.988 1.00 0.00 O ATOM 632 OE2 GLU A 76 0.654 -2.538 -81.098 1.00 0.00 O ATOM 0 H GLU A 76 -2.750 -4.936 -85.709 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.273 -2.043 -85.304 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.649 -3.171 -83.152 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.474 -4.406 -83.560 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.316 -2.679 -83.595 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.863 -1.456 -83.166 1.00 0.00 H new ATOM 639 N LEU A 77 -0.097 -2.158 -86.446 1.00 0.00 N ATOM 640 CA LEU A 77 1.182 -2.187 -87.146 1.00 0.00 C ATOM 641 C LEU A 77 2.203 -1.284 -86.465 1.00 0.00 C ATOM 642 O LEU A 77 1.927 -0.118 -86.186 1.00 0.00 O ATOM 643 CB LEU A 77 0.998 -1.751 -88.605 1.00 0.00 C ATOM 644 CG LEU A 77 0.058 -2.622 -89.446 1.00 0.00 C ATOM 645 CD1 LEU A 77 -1.375 -2.132 -89.281 1.00 0.00 C ATOM 646 CD2 LEU A 77 0.488 -2.572 -90.905 1.00 0.00 C ATOM 0 H LEU A 77 -0.521 -1.233 -86.382 1.00 0.00 H new ATOM 0 HA LEU A 77 1.555 -3.211 -87.118 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.621 -0.728 -88.614 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.976 -1.735 -89.086 1.00 0.00 H new ATOM 0 HG LEU A 77 0.108 -3.657 -89.108 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.043 -2.752 -89.879 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.663 -2.197 -88.232 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.446 -1.096 -89.614 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.181 -3.191 -91.503 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.445 -1.543 -91.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.508 -2.946 -90.997 1.00 0.00 H new ATOM 658 N ASN A 78 3.384 -1.832 -86.198 1.00 0.00 N ATOM 659 CA ASN A 78 4.455 -1.072 -85.564 1.00 0.00 C ATOM 660 C ASN A 78 5.725 -1.104 -86.405 1.00 0.00 C ATOM 661 O ASN A 78 6.285 -2.170 -86.661 1.00 0.00 O ATOM 662 CB ASN A 78 4.727 -1.597 -84.166 1.00 0.00 C ATOM 663 CG ASN A 78 3.566 -1.387 -83.234 1.00 0.00 C ATOM 664 OD1 ASN A 78 3.145 -0.250 -82.993 1.00 0.00 O ATOM 665 ND2 ASN A 78 3.039 -2.462 -82.706 1.00 0.00 N ATOM 0 H ASN A 78 3.624 -2.800 -86.411 1.00 0.00 H new ATOM 0 HA ASN A 78 4.130 -0.034 -85.487 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.957 -2.661 -84.220 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.608 -1.100 -83.760 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.248 -2.381 -82.067 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.419 -3.381 -82.933 1.00 0.00 H new ATOM 672 N ILE A 79 6.175 0.071 -86.832 1.00 0.00 N ATOM 673 CA ILE A 79 7.355 0.177 -87.682 1.00 0.00 C ATOM 674 C ILE A 79 8.461 0.966 -86.994 1.00 0.00 C ATOM 675 O ILE A 79 8.300 2.149 -86.696 1.00 0.00 O ATOM 676 CB ILE A 79 7.005 0.845 -89.025 1.00 0.00 C ATOM 677 CG1 ILE A 79 5.887 0.074 -89.730 1.00 0.00 C ATOM 678 CG2 ILE A 79 8.239 0.931 -89.912 1.00 0.00 C ATOM 679 CD1 ILE A 79 4.500 0.587 -89.415 1.00 0.00 C ATOM 0 H ILE A 79 5.740 0.964 -86.603 1.00 0.00 H new ATOM 0 HA ILE A 79 7.712 -0.836 -87.869 1.00 0.00 H new ATOM 0 HB ILE A 79 6.652 1.857 -88.828 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.047 0.124 -90.807 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.949 -0.977 -89.447 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.975 1.405 -90.857 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.006 1.521 -89.411 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.620 -0.072 -90.103 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.761 -0.009 -89.951 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.319 0.511 -88.343 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.419 1.629 -89.724 1.00 0.00 H new ATOM 691 N THR A 80 9.585 0.303 -86.744 1.00 0.00 N ATOM 692 CA THR A 80 10.720 0.940 -86.087 1.00 0.00 C ATOM 693 C THR A 80 11.506 1.806 -87.064 1.00 0.00 C ATOM 694 O THR A 80 12.007 1.318 -88.077 1.00 0.00 O ATOM 695 CB THR A 80 11.655 -0.107 -85.456 1.00 0.00 C ATOM 696 OG1 THR A 80 10.933 -0.871 -84.481 1.00 0.00 O ATOM 697 CG2 THR A 80 12.840 0.570 -84.786 1.00 0.00 C ATOM 0 H THR A 80 9.734 -0.676 -86.987 1.00 0.00 H new ATOM 0 HA THR A 80 10.320 1.576 -85.297 1.00 0.00 H new ATOM 0 HB THR A 80 12.023 -0.764 -86.244 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.529 -1.538 -84.081 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.490 -0.186 -84.346 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.399 1.142 -85.527 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.482 1.240 -84.005 1.00 0.00 H new ATOM 705 N LEU A 81 11.613 3.093 -86.753 1.00 0.00 N ATOM 706 CA LEU A 81 12.273 4.044 -87.640 1.00 0.00 C ATOM 707 C LEU A 81 13.738 4.222 -87.263 1.00 0.00 C ATOM 708 O LEU A 81 14.131 3.972 -86.123 1.00 0.00 O ATOM 709 CB LEU A 81 11.557 5.399 -87.591 1.00 0.00 C ATOM 710 CG LEU A 81 10.054 5.369 -87.898 1.00 0.00 C ATOM 711 CD1 LEU A 81 9.476 6.769 -87.738 1.00 0.00 C ATOM 712 CD2 LEU A 81 9.834 4.844 -89.308 1.00 0.00 C ATOM 0 H LEU A 81 11.251 3.502 -85.892 1.00 0.00 H new ATOM 0 HA LEU A 81 12.225 3.646 -88.654 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.698 5.828 -86.599 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.041 6.071 -88.300 1.00 0.00 H new ATOM 0 HG LEU A 81 9.544 4.704 -87.201 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.408 6.749 -87.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.631 7.112 -86.715 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.974 7.449 -88.428 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.766 4.823 -89.526 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.337 5.496 -90.022 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.241 3.836 -89.389 1.00 0.00 H new TER 724 LEU A 81 ATOM 725 N ASP B 38 9.774 15.194 -92.345 1.00 0.00 N ATOM 726 CA ASP B 38 9.177 15.847 -93.504 1.00 0.00 C ATOM 727 C ASP B 38 8.527 14.832 -94.435 1.00 0.00 C ATOM 728 O ASP B 38 7.479 15.097 -95.024 1.00 0.00 O ATOM 729 CB ASP B 38 10.233 16.649 -94.271 1.00 0.00 C ATOM 730 CG ASP B 38 10.797 17.810 -93.463 1.00 0.00 C ATOM 731 OD1 ASP B 38 10.023 18.556 -92.912 1.00 0.00 O ATOM 732 OD2 ASP B 38 11.996 17.939 -93.405 1.00 0.00 O ATOM 0 HA ASP B 38 8.405 16.525 -93.140 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.047 15.985 -94.560 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.793 17.033 -95.191 1.00 0.00 H new ATOM 737 N TYR B 39 9.155 13.668 -94.564 1.00 0.00 N ATOM 738 CA TYR B 39 8.660 12.625 -95.454 1.00 0.00 C ATOM 739 C TYR B 39 7.555 11.813 -94.789 1.00 0.00 C ATOM 740 O TYR B 39 6.635 11.338 -95.455 1.00 0.00 O ATOM 741 CB TYR B 39 9.804 11.706 -95.891 1.00 0.00 C ATOM 742 CG TYR B 39 10.730 12.329 -96.911 1.00 0.00 C ATOM 743 CD1 TYR B 39 12.105 12.237 -96.748 1.00 0.00 C ATOM 744 CD2 TYR B 39 10.206 12.993 -98.011 1.00 0.00 C ATOM 745 CE1 TYR B 39 12.952 12.806 -97.679 1.00 0.00 C ATOM 746 CE2 TYR B 39 11.053 13.562 -98.942 1.00 0.00 C ATOM 747 CZ TYR B 39 12.419 13.471 -98.779 1.00 0.00 C ATOM 748 OH TYR B 39 13.263 14.037 -99.707 1.00 0.00 O ATOM 0 H TYR B 39 10.009 13.423 -94.063 1.00 0.00 H new ATOM 0 HA TYR B 39 8.241 13.109 -96.336 1.00 0.00 H new ATOM 0 HB2 TYR B 39 10.384 11.421 -95.013 1.00 0.00 H new ATOM 0 HB3 TYR B 39 9.384 10.790 -96.307 1.00 0.00 H new ATOM 0 HD1 TYR B 39 12.513 11.720 -95.892 1.00 0.00 H new ATOM 0 HD2 TYR B 39 9.136 13.065 -98.139 1.00 0.00 H new ATOM 0 HE1 TYR B 39 14.022 12.735 -97.554 1.00 0.00 H new ATOM 0 HE2 TYR B 39 10.645 14.079 -99.798 1.00 0.00 H new ATOM 0 HH TYR B 39 12.734 14.462-100.414 1.00 0.00 H new ATOM 758 N LEU B 40 7.653 11.657 -93.473 1.00 0.00 N ATOM 759 CA LEU B 40 6.823 10.700 -92.752 1.00 0.00 C ATOM 760 C LEU B 40 5.348 11.064 -92.852 1.00 0.00 C ATOM 761 O LEU B 40 4.499 10.202 -93.083 1.00 0.00 O ATOM 762 CB LEU B 40 7.242 10.640 -91.278 1.00 0.00 C ATOM 763 CG LEU B 40 6.431 9.684 -90.394 1.00 0.00 C ATOM 764 CD1 LEU B 40 6.527 8.271 -90.952 1.00 0.00 C ATOM 765 CD2 LEU B 40 6.957 9.744 -88.967 1.00 0.00 C ATOM 0 H LEU B 40 8.300 12.182 -92.884 1.00 0.00 H new ATOM 0 HA LEU B 40 6.967 9.721 -93.210 1.00 0.00 H new ATOM 0 HB2 LEU B 40 8.291 10.349 -91.229 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.170 11.643 -90.858 1.00 0.00 H new ATOM 0 HG LEU B 40 5.382 9.981 -90.388 1.00 0.00 H new ATOM 0 HD11 LEU B 40 5.951 7.592 -90.324 1.00 0.00 H new ATOM 0 HD12 LEU B 40 6.129 8.253 -91.967 1.00 0.00 H new ATOM 0 HD13 LEU B 40 7.570 7.955 -90.966 1.00 0.00 H new ATOM 0 HD21 LEU B 40 6.381 9.065 -88.338 1.00 0.00 H new ATOM 0 HD22 LEU B 40 8.006 9.449 -88.953 1.00 0.00 H new ATOM 0 HD23 LEU B 40 6.861 10.761 -88.586 1.00 0.00 H new ATOM 777 N PRO B 41 5.046 12.346 -92.676 1.00 0.00 N ATOM 778 CA PRO B 41 3.675 12.831 -92.768 1.00 0.00 C ATOM 779 C PRO B 41 3.003 12.345 -94.047 1.00 0.00 C ATOM 780 O PRO B 41 1.831 11.971 -94.041 1.00 0.00 O ATOM 781 CB PRO B 41 3.845 14.352 -92.763 1.00 0.00 C ATOM 782 CG PRO B 41 5.058 14.581 -91.927 1.00 0.00 C ATOM 783 CD PRO B 41 5.995 13.470 -92.315 1.00 0.00 C ATOM 0 HA PRO B 41 3.036 12.473 -91.960 1.00 0.00 H new ATOM 0 HB2 PRO B 41 3.978 14.741 -93.772 1.00 0.00 H new ATOM 0 HB3 PRO B 41 2.971 14.849 -92.342 1.00 0.00 H new ATOM 0 HG2 PRO B 41 5.498 15.559 -92.124 1.00 0.00 H new ATOM 0 HG3 PRO B 41 4.820 14.547 -90.864 1.00 0.00 H new ATOM 0 HD2 PRO B 41 6.629 13.750 -93.156 1.00 0.00 H new ATOM 0 HD3 PRO B 41 6.657 13.193 -91.494 1.00 0.00 H new ATOM 791 N THR B 42 3.755 12.354 -95.143 1.00 0.00 N ATOM 792 CA THR B 42 3.253 11.861 -96.420 1.00 0.00 C ATOM 793 C THR B 42 3.083 10.347 -96.398 1.00 0.00 C ATOM 794 O THR B 42 2.083 9.818 -96.882 1.00 0.00 O ATOM 795 CB THR B 42 4.190 12.259 -97.575 1.00 0.00 C ATOM 796 OG1 THR B 42 4.267 13.689 -97.660 1.00 0.00 O ATOM 797 CG2 THR B 42 3.675 11.705 -98.895 1.00 0.00 C ATOM 0 H THR B 42 4.715 12.698 -95.172 1.00 0.00 H new ATOM 0 HA THR B 42 2.278 12.321 -96.582 1.00 0.00 H new ATOM 0 HB THR B 42 5.179 11.845 -97.379 1.00 0.00 H new ATOM 0 HG1 THR B 42 4.865 13.941 -98.394 1.00 0.00 H new ATOM 0 HG21 THR B 42 4.350 11.996 -99.700 1.00 0.00 H new ATOM 0 HG22 THR B 42 3.625 10.618 -98.839 1.00 0.00 H new ATOM 0 HG23 THR B 42 2.680 12.104 -99.094 1.00 0.00 H new ATOM 805 N LEU B 43 4.066 9.655 -95.833 1.00 0.00 N ATOM 806 CA LEU B 43 4.002 8.206 -95.695 1.00 0.00 C ATOM 807 C LEU B 43 2.788 7.783 -94.876 1.00 0.00 C ATOM 808 O LEU B 43 2.153 6.771 -95.168 1.00 0.00 O ATOM 809 CB LEU B 43 5.282 7.678 -95.033 1.00 0.00 C ATOM 810 CG LEU B 43 6.560 7.794 -95.872 1.00 0.00 C ATOM 811 CD1 LEU B 43 7.766 7.431 -95.014 1.00 0.00 C ATOM 812 CD2 LEU B 43 6.458 6.882 -97.084 1.00 0.00 C ATOM 0 H LEU B 43 4.918 10.076 -95.463 1.00 0.00 H new ATOM 0 HA LEU B 43 3.909 7.780 -96.694 1.00 0.00 H new ATOM 0 HB2 LEU B 43 5.434 8.216 -94.097 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.131 6.629 -94.777 1.00 0.00 H new ATOM 0 HG LEU B 43 6.683 8.819 -96.223 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.675 7.513 -95.610 1.00 0.00 H new ATOM 0 HD12 LEU B 43 7.826 8.112 -94.165 1.00 0.00 H new ATOM 0 HD13 LEU B 43 7.661 6.408 -94.653 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.367 6.965 -97.680 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.334 5.851 -96.754 1.00 0.00 H new ATOM 0 HD23 LEU B 43 5.600 7.175 -97.689 1.00 0.00 H new ATOM 824 N ARG B 44 2.473 8.566 -93.850 1.00 0.00 N ATOM 825 CA ARG B 44 1.339 8.270 -92.982 1.00 0.00 C ATOM 826 C ARG B 44 0.023 8.361 -93.744 1.00 0.00 C ATOM 827 O ARG B 44 -0.835 7.487 -93.626 1.00 0.00 O ATOM 828 CB ARG B 44 1.304 9.229 -91.801 1.00 0.00 C ATOM 829 CG ARG B 44 2.423 9.037 -90.789 1.00 0.00 C ATOM 830 CD ARG B 44 2.502 10.175 -89.837 1.00 0.00 C ATOM 831 NE ARG B 44 1.388 10.181 -88.904 1.00 0.00 N ATOM 832 CZ ARG B 44 1.039 11.231 -88.135 1.00 0.00 C ATOM 833 NH1 ARG B 44 1.725 12.350 -88.200 1.00 0.00 N ATOM 834 NH2 ARG B 44 0.005 11.137 -87.317 1.00 0.00 N ATOM 0 H ARG B 44 2.987 9.411 -93.599 1.00 0.00 H new ATOM 0 HA ARG B 44 1.464 7.250 -92.617 1.00 0.00 H new ATOM 0 HB2 ARG B 44 1.347 10.250 -92.179 1.00 0.00 H new ATOM 0 HB3 ARG B 44 0.348 9.118 -91.290 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.260 8.111 -90.237 1.00 0.00 H new ATOM 0 HG3 ARG B 44 3.374 8.933 -91.312 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.439 10.120 -89.283 1.00 0.00 H new ATOM 0 HD3 ARG B 44 2.515 11.113 -90.393 1.00 0.00 H new ATOM 0 HE ARG B 44 0.831 9.330 -88.826 1.00 0.00 H new ATOM 0 HH11 ARG B 44 2.522 12.424 -88.833 1.00 0.00 H new ATOM 0 HH12 ARG B 44 1.461 13.145 -87.618 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -0.529 10.269 -87.268 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -0.259 11.932 -86.735 1.00 0.00 H new ATOM 848 N LYS B 45 -0.130 9.425 -94.526 1.00 0.00 N ATOM 849 CA LYS B 45 -1.308 9.593 -95.367 1.00 0.00 C ATOM 850 C LYS B 45 -1.392 8.501 -96.426 1.00 0.00 C ATOM 851 O LYS B 45 -2.466 7.964 -96.693 1.00 0.00 O ATOM 852 CB LYS B 45 -1.298 10.971 -96.033 1.00 0.00 C ATOM 853 CG LYS B 45 -1.527 12.133 -95.076 1.00 0.00 C ATOM 854 CD LYS B 45 -1.463 13.468 -95.803 1.00 0.00 C ATOM 855 CE LYS B 45 -1.670 14.632 -94.844 1.00 0.00 C ATOM 856 NZ LYS B 45 -1.575 15.946 -95.536 1.00 0.00 N ATOM 0 H LYS B 45 0.548 10.184 -94.594 1.00 0.00 H new ATOM 0 HA LYS B 45 -2.187 9.514 -94.727 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -0.340 11.112 -96.534 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -2.068 10.994 -96.804 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -2.499 12.025 -94.595 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -0.776 12.110 -94.286 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -0.497 13.569 -96.297 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -2.224 13.497 -96.582 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -2.647 14.542 -94.369 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -0.924 14.585 -94.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -1.722 16.712 -94.848 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -0.634 16.044 -95.968 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -2.303 16.002 -96.277 1.00 0.00 H new ATOM 870 N GLU B 46 -0.251 8.178 -97.026 1.00 0.00 N ATOM 871 CA GLU B 46 -0.185 7.118 -98.026 1.00 0.00 C ATOM 872 C GLU B 46 -0.671 5.792 -97.456 1.00 0.00 C ATOM 873 O GLU B 46 -1.475 5.096 -98.076 1.00 0.00 O ATOM 874 CB GLU B 46 1.234 6.978 -98.556 1.00 0.00 C ATOM 0 H GLU B 46 0.641 8.635 -96.837 1.00 0.00 H new ATOM 0 HA GLU B 46 -0.844 7.392 -98.850 1.00 0.00 H new ATOM 879 N LEU B 47 -0.177 5.447 -96.272 1.00 0.00 N ATOM 880 CA LEU B 47 -0.549 4.195 -95.623 1.00 0.00 C ATOM 881 C LEU B 47 -2.031 4.173 -95.274 1.00 0.00 C ATOM 882 O LEU B 47 -2.686 3.134 -95.364 1.00 0.00 O ATOM 883 CB LEU B 47 0.285 3.988 -94.353 1.00 0.00 C ATOM 884 CG LEU B 47 1.774 3.691 -94.575 1.00 0.00 C ATOM 885 CD1 LEU B 47 2.493 3.670 -93.233 1.00 0.00 C ATOM 886 CD2 LEU B 47 1.924 2.361 -95.297 1.00 0.00 C ATOM 0 H LEU B 47 0.482 6.017 -95.742 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.350 3.384 -96.324 1.00 0.00 H new ATOM 0 HB2 LEU B 47 0.200 4.882 -93.735 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -0.150 3.165 -93.785 1.00 0.00 H new ATOM 0 HG LEU B 47 2.222 4.470 -95.193 1.00 0.00 H new ATOM 0 HD11 LEU B 47 3.551 3.459 -93.390 1.00 0.00 H new ATOM 0 HD12 LEU B 47 2.385 4.640 -92.747 1.00 0.00 H new ATOM 0 HD13 LEU B 47 2.059 2.896 -92.600 1.00 0.00 H new ATOM 0 HD21 LEU B 47 2.982 2.150 -95.455 1.00 0.00 H new ATOM 0 HD22 LEU B 47 1.482 1.568 -94.694 1.00 0.00 H new ATOM 0 HD23 LEU B 47 1.416 2.411 -96.260 1.00 0.00 H new ATOM 898 N MET B 48 -2.556 5.327 -94.875 1.00 0.00 N ATOM 899 CA MET B 48 -3.980 5.463 -94.590 1.00 0.00 C ATOM 900 C MET B 48 -4.821 5.135 -95.818 1.00 0.00 C ATOM 901 O MET B 48 -5.799 4.393 -95.731 1.00 0.00 O ATOM 902 CB MET B 48 -4.287 6.875 -94.095 1.00 0.00 C ATOM 903 CG MET B 48 -5.722 7.082 -93.634 1.00 0.00 C ATOM 904 SD MET B 48 -6.001 8.729 -92.952 1.00 0.00 S ATOM 905 CE MET B 48 -5.130 8.603 -91.394 1.00 0.00 C ATOM 0 H MET B 48 -2.016 6.182 -94.742 1.00 0.00 H new ATOM 0 HA MET B 48 -4.239 4.750 -93.807 1.00 0.00 H new ATOM 0 HB2 MET B 48 -3.616 7.111 -93.270 1.00 0.00 H new ATOM 0 HB3 MET B 48 -4.070 7.583 -94.895 1.00 0.00 H new ATOM 0 HG2 MET B 48 -6.397 6.922 -94.475 1.00 0.00 H new ATOM 0 HG3 MET B 48 -5.969 6.334 -92.881 1.00 0.00 H new ATOM 0 HE1 MET B 48 -5.425 9.427 -90.745 1.00 0.00 H new ATOM 0 HE2 MET B 48 -5.378 7.656 -90.914 1.00 0.00 H new ATOM 0 HE3 MET B 48 -4.056 8.649 -91.573 1.00 0.00 H new ATOM 915 N GLU B 49 -4.434 5.693 -96.960 1.00 0.00 N ATOM 916 CA GLU B 49 -5.067 5.357 -98.229 1.00 0.00 C ATOM 917 C GLU B 49 -5.005 3.858 -98.496 1.00 0.00 C ATOM 918 O GLU B 49 -6.009 3.238 -98.845 1.00 0.00 O ATOM 919 CB GLU B 49 -4.397 6.117 -99.377 1.00 0.00 C ATOM 920 CG GLU B 49 -4.970 5.809-100.753 1.00 0.00 C ATOM 921 CD GLU B 49 -4.263 6.544-101.858 1.00 0.00 C ATOM 922 OE1 GLU B 49 -3.459 7.393-101.561 1.00 0.00 O ATOM 923 OE2 GLU B 49 -4.530 6.255-103.001 1.00 0.00 O ATOM 0 H GLU B 49 -3.684 6.381 -97.032 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.115 5.652 -98.167 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.488 7.187 -99.190 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.332 5.883 -99.379 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.905 4.737-100.937 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.028 6.071-100.768 1.00 0.00 H new ATOM 930 N VAL B 50 -3.819 3.282 -98.330 1.00 0.00 N ATOM 931 CA VAL B 50 -3.618 1.858 -98.576 1.00 0.00 C ATOM 932 C VAL B 50 -4.552 1.014 -97.720 1.00 0.00 C ATOM 933 O VAL B 50 -5.119 0.028 -98.191 1.00 0.00 O ATOM 934 CB VAL B 50 -2.158 1.467 -98.279 1.00 0.00 C ATOM 935 CG1 VAL B 50 -2.007 -0.048 -98.262 1.00 0.00 C ATOM 936 CG2 VAL B 50 -1.234 2.089 -99.313 1.00 0.00 C ATOM 0 H VAL B 50 -2.982 3.779 -98.026 1.00 0.00 H new ATOM 0 HA VAL B 50 -3.841 1.667 -99.626 1.00 0.00 H new ATOM 0 HB VAL B 50 -1.883 1.846 -97.295 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -0.970 -0.308 -98.051 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -2.651 -0.469 -97.490 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -2.292 -0.453 -99.233 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -0.203 1.808 -99.096 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -1.506 1.732-100.306 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -1.329 3.174 -99.279 1.00 0.00 H new ATOM 946 N LEU B 51 -4.710 1.407 -96.461 1.00 0.00 N ATOM 947 CA LEU B 51 -5.584 0.691 -95.538 1.00 0.00 C ATOM 948 C LEU B 51 -7.037 0.760 -95.991 1.00 0.00 C ATOM 949 O LEU B 51 -7.740 -0.250 -96.006 1.00 0.00 O ATOM 950 CB LEU B 51 -5.454 1.273 -94.125 1.00 0.00 C ATOM 951 CG LEU B 51 -4.115 1.021 -93.422 1.00 0.00 C ATOM 952 CD1 LEU B 51 -4.016 1.902 -92.185 1.00 0.00 C ATOM 953 CD2 LEU B 51 -4.004 -0.452 -93.054 1.00 0.00 C ATOM 0 H LEU B 51 -4.244 2.218 -96.055 1.00 0.00 H new ATOM 0 HA LEU B 51 -5.276 -0.354 -95.528 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -5.618 2.349 -94.179 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.251 0.860 -93.507 1.00 0.00 H new ATOM 0 HG LEU B 51 -3.291 1.272 -94.090 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.064 1.722 -91.686 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -4.080 2.950 -92.479 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.833 1.666 -91.504 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -3.052 -0.631 -92.554 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -4.821 -0.723 -92.386 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -4.059 -1.058 -93.958 1.00 0.00 H new ATOM 965 N SER B 52 -7.480 1.957 -96.360 1.00 0.00 N ATOM 966 CA SER B 52 -8.878 2.181 -96.709 1.00 0.00 C ATOM 967 C SER B 52 -9.273 1.382 -97.944 1.00 0.00 C ATOM 968 O SER B 52 -10.441 1.041 -98.127 1.00 0.00 O ATOM 969 CB SER B 52 -9.124 3.658 -96.952 1.00 0.00 C ATOM 970 OG SER B 52 -8.457 4.095 -98.104 1.00 0.00 O ATOM 0 H SER B 52 -6.891 2.787 -96.425 1.00 0.00 H new ATOM 0 HA SER B 52 -9.491 1.844 -95.873 1.00 0.00 H new ATOM 0 HB2 SER B 52 -10.194 3.840 -97.056 1.00 0.00 H new ATOM 0 HB3 SER B 52 -8.785 4.233 -96.091 1.00 0.00 H new ATOM 0 HG SER B 52 -7.526 3.791 -98.078 1.00 0.00 H new ATOM 976 N LYS B 53 -8.291 1.084 -98.788 1.00 0.00 N ATOM 977 CA LYS B 53 -8.551 0.427-100.063 1.00 0.00 C ATOM 978 C LYS B 53 -8.297 -1.073 -99.972 1.00 0.00 C ATOM 979 O LYS B 53 -9.062 -1.876-100.507 1.00 0.00 O ATOM 980 CB LYS B 53 -7.688 1.040-101.168 1.00 0.00 C ATOM 981 CG LYS B 53 -8.074 2.463-101.549 1.00 0.00 C ATOM 982 CD LYS B 53 -7.150 3.016-102.623 1.00 0.00 C ATOM 983 CE LYS B 53 -7.614 4.385-103.102 1.00 0.00 C ATOM 984 NZ LYS B 53 -6.676 4.974-104.097 1.00 0.00 N ATOM 0 H LYS B 53 -7.307 1.287 -98.612 1.00 0.00 H new ATOM 0 HA LYS B 53 -9.602 0.581-100.308 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -6.647 1.033-100.846 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.752 0.409-102.055 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -9.103 2.480-101.908 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -8.034 3.102-100.667 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -6.136 3.090-102.230 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -7.115 2.326-103.466 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -8.606 4.297-103.546 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -7.706 5.056-102.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -7.171 5.700-104.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -5.871 5.407-103.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -6.330 4.227-104.733 1.00 0.00 H new ATOM 998 N TYR B 54 -7.217 -1.444 -99.293 1.00 0.00 N ATOM 999 CA TYR B 54 -6.841 -2.847 -99.159 1.00 0.00 C ATOM 1000 C TYR B 54 -7.637 -3.528 -98.053 1.00 0.00 C ATOM 1001 O TYR B 54 -8.334 -4.513 -98.294 1.00 0.00 O ATOM 1002 CB TYR B 54 -5.340 -2.975 -98.889 1.00 0.00 C ATOM 1003 CG TYR B 54 -4.473 -2.633-100.081 1.00 0.00 C ATOM 1004 CD1 TYR B 54 -5.036 -2.029-101.196 1.00 0.00 C ATOM 1005 CD2 TYR B 54 -3.117 -2.923-100.058 1.00 0.00 C ATOM 1006 CE1 TYR B 54 -4.244 -1.716-102.284 1.00 0.00 C ATOM 1007 CE2 TYR B 54 -2.326 -2.611-101.147 1.00 0.00 C ATOM 1008 CZ TYR B 54 -2.885 -2.010-102.256 1.00 0.00 C ATOM 1009 OH TYR B 54 -2.097 -1.699-103.340 1.00 0.00 O ATOM 0 H TYR B 54 -6.586 -0.792 -98.827 1.00 0.00 H new ATOM 0 HA TYR B 54 -7.074 -3.347-100.099 1.00 0.00 H new ATOM 0 HB2 TYR B 54 -5.073 -2.322 -98.058 1.00 0.00 H new ATOM 0 HB3 TYR B 54 -5.123 -3.996 -98.575 1.00 0.00 H new ATOM 0 HD1 TYR B 54 -6.092 -1.804-101.213 1.00 0.00 H new ATOM 0 HD2 TYR B 54 -2.680 -3.392 -99.189 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -4.679 -1.245-103.153 1.00 0.00 H new ATOM 0 HE2 TYR B 54 -1.270 -2.838-101.130 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.172 -1.968-103.160 1.00 0.00 H new ATOM 1019 N VAL B 55 -7.528 -2.997 -96.840 1.00 0.00 N ATOM 1020 CA VAL B 55 -8.146 -3.618 -95.674 1.00 0.00 C ATOM 1021 C VAL B 55 -9.666 -3.555 -95.758 1.00 0.00 C ATOM 1022 O VAL B 55 -10.365 -4.319 -95.092 1.00 0.00 O ATOM 1023 CB VAL B 55 -7.676 -2.919 -94.385 1.00 0.00 C ATOM 1024 CG1 VAL B 55 -8.445 -3.446 -93.183 1.00 0.00 C ATOM 1025 CG2 VAL B 55 -6.180 -3.121 -94.201 1.00 0.00 C ATOM 0 H VAL B 55 -7.017 -2.137 -96.638 1.00 0.00 H new ATOM 0 HA VAL B 55 -7.841 -4.664 -95.654 1.00 0.00 H new ATOM 0 HB VAL B 55 -7.874 -1.850 -94.470 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.100 -2.941 -92.281 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -9.510 -3.256 -93.321 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -8.277 -4.519 -93.085 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.855 -2.624 -93.287 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -5.963 -4.187 -94.131 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -5.648 -2.698 -95.053 1.00 0.00 H new ATOM 1035 N ASN B 56 -10.171 -2.642 -96.579 1.00 0.00 N ATOM 1036 CA ASN B 56 -11.602 -2.371 -96.635 1.00 0.00 C ATOM 1037 C ASN B 56 -12.099 -1.761 -95.331 1.00 0.00 C ATOM 1038 O ASN B 56 -12.621 -2.462 -94.465 1.00 0.00 O ATOM 1039 CB ASN B 56 -12.374 -3.636 -96.961 1.00 0.00 C ATOM 1040 CG ASN B 56 -11.992 -4.220 -98.293 1.00 0.00 C ATOM 1041 OD1 ASN B 56 -12.139 -3.569 -99.334 1.00 0.00 O ATOM 1042 ND2 ASN B 56 -11.504 -5.433 -98.280 1.00 0.00 N ATOM 0 H ASN B 56 -9.610 -2.076 -97.216 1.00 0.00 H new ATOM 0 HA ASN B 56 -11.774 -1.646 -97.431 1.00 0.00 H new ATOM 0 HB2 ASN B 56 -12.198 -4.376 -96.180 1.00 0.00 H new ATOM 0 HB3 ASN B 56 -13.442 -3.417 -96.957 1.00 0.00 H new ATOM 0 HD21 ASN B 56 -11.226 -5.880 -99.154 1.00 0.00 H new ATOM 0 HD22 ASN B 56 -11.401 -5.932 -97.396 1.00 0.00 H new ATOM 1049 N VAL B 57 -11.932 -0.450 -95.195 1.00 0.00 N ATOM 1050 CA VAL B 57 -12.161 0.225 -93.923 1.00 0.00 C ATOM 1051 C VAL B 57 -12.303 1.729 -94.114 1.00 0.00 C ATOM 1052 O VAL B 57 -11.765 2.298 -95.064 1.00 0.00 O ATOM 1053 CB VAL B 57 -10.999 -0.058 -92.952 1.00 0.00 C ATOM 1054 CG1 VAL B 57 -9.711 0.569 -93.465 1.00 0.00 C ATOM 1055 CG2 VAL B 57 -11.341 0.468 -91.567 1.00 0.00 C ATOM 0 H VAL B 57 -11.638 0.167 -95.952 1.00 0.00 H new ATOM 0 HA VAL B 57 -13.090 -0.162 -93.506 1.00 0.00 H new ATOM 0 HB VAL B 57 -10.847 -1.135 -92.887 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -8.901 0.359 -92.767 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -9.466 0.150 -94.441 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -9.842 1.647 -93.555 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -10.515 0.264 -90.886 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -11.512 1.543 -91.618 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -12.242 -0.026 -91.202 1.00 0.00 H new ATOM 1065 N SER B 58 -13.033 2.369 -93.207 1.00 0.00 N ATOM 1066 CA SER B 58 -13.280 3.803 -93.295 1.00 0.00 C ATOM 1067 C SER B 58 -12.151 4.597 -92.649 1.00 0.00 C ATOM 1068 O SER B 58 -11.509 4.129 -91.709 1.00 0.00 O ATOM 1069 CB SER B 58 -14.597 4.149 -92.629 1.00 0.00 C ATOM 1070 OG SER B 58 -14.773 5.537 -92.552 1.00 0.00 O ATOM 0 H SER B 58 -13.465 1.916 -92.401 1.00 0.00 H new ATOM 0 HA SER B 58 -13.327 4.071 -94.351 1.00 0.00 H new ATOM 0 HB2 SER B 58 -15.420 3.705 -93.190 1.00 0.00 H new ATOM 0 HB3 SER B 58 -14.626 3.719 -91.628 1.00 0.00 H new ATOM 0 HG SER B 58 -15.630 5.735 -92.120 1.00 0.00 H new ATOM 1076 N LEU B 59 -11.913 5.801 -93.160 1.00 0.00 N ATOM 1077 CA LEU B 59 -10.868 6.666 -92.627 1.00 0.00 C ATOM 1078 C LEU B 59 -11.101 6.970 -91.153 1.00 0.00 C ATOM 1079 O LEU B 59 -10.153 7.112 -90.380 1.00 0.00 O ATOM 1080 CB LEU B 59 -10.809 7.976 -93.422 1.00 0.00 C ATOM 1081 CG LEU B 59 -10.412 7.842 -94.898 1.00 0.00 C ATOM 1082 CD1 LEU B 59 -10.515 9.201 -95.578 1.00 0.00 C ATOM 1083 CD2 LEU B 59 -8.999 7.287 -94.996 1.00 0.00 C ATOM 0 H LEU B 59 -12.431 6.199 -93.943 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.918 6.140 -92.723 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.787 8.455 -93.370 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -10.100 8.644 -92.933 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.088 7.152 -95.404 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -10.233 9.106 -96.627 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.540 9.565 -95.510 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -9.846 9.906 -95.085 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -8.717 7.192 -96.045 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -8.307 7.963 -94.494 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -8.959 6.308 -94.519 1.00 0.00 H new ATOM 1095 N ASP B 60 -12.369 7.068 -90.768 1.00 0.00 N ATOM 1096 CA ASP B 60 -12.731 7.335 -89.381 1.00 0.00 C ATOM 1097 C ASP B 60 -12.259 6.215 -88.463 1.00 0.00 C ATOM 1098 O ASP B 60 -12.079 6.417 -87.262 1.00 0.00 O ATOM 1099 CB ASP B 60 -14.245 7.510 -89.245 1.00 0.00 C ATOM 1100 CG ASP B 60 -14.746 8.819 -89.841 1.00 0.00 C ATOM 1101 OD1 ASP B 60 -13.939 9.684 -90.087 1.00 0.00 O ATOM 1102 OD2 ASP B 60 -15.930 8.941 -90.043 1.00 0.00 O ATOM 0 H ASP B 60 -13.164 6.966 -91.398 1.00 0.00 H new ATOM 0 HA ASP B 60 -12.235 8.259 -89.083 1.00 0.00 H new ATOM 0 HB2 ASP B 60 -14.748 6.677 -89.736 1.00 0.00 H new ATOM 0 HB3 ASP B 60 -14.517 7.469 -88.190 1.00 0.00 H new ATOM 1107 N ASN B 61 -12.058 5.032 -89.035 1.00 0.00 N ATOM 1108 CA ASN B 61 -11.683 3.858 -88.257 1.00 0.00 C ATOM 1109 C ASN B 61 -10.180 3.613 -88.317 1.00 0.00 C ATOM 1110 O ASN B 61 -9.695 2.565 -87.891 1.00 0.00 O ATOM 1111 CB ASN B 61 -12.444 2.635 -88.736 1.00 0.00 C ATOM 1112 CG ASN B 61 -13.914 2.714 -88.434 1.00 0.00 C ATOM 1113 OD1 ASN B 61 -14.322 3.306 -87.429 1.00 0.00 O ATOM 1114 ND2 ASN B 61 -14.717 2.127 -89.284 1.00 0.00 N ATOM 0 H ASN B 61 -12.149 4.862 -90.037 1.00 0.00 H new ATOM 0 HA ASN B 61 -11.949 4.046 -87.217 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -12.303 2.522 -89.811 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -12.027 1.745 -88.265 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -15.725 2.147 -89.130 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -14.335 1.650 -90.101 1.00 0.00 H new ATOM 1121 N ILE B 62 -9.449 4.587 -88.848 1.00 0.00 N ATOM 1122 CA ILE B 62 -7.998 4.487 -88.948 1.00 0.00 C ATOM 1123 C ILE B 62 -7.312 5.510 -88.051 1.00 0.00 C ATOM 1124 O ILE B 62 -7.609 6.702 -88.114 1.00 0.00 O ATOM 1125 CB ILE B 62 -7.532 4.685 -90.402 1.00 0.00 C ATOM 1126 CG1 ILE B 62 -8.133 3.606 -91.307 1.00 0.00 C ATOM 1127 CG2 ILE B 62 -6.014 4.666 -90.482 1.00 0.00 C ATOM 1128 CD1 ILE B 62 -7.901 3.846 -92.781 1.00 0.00 C ATOM 0 H ILE B 62 -9.838 5.455 -89.216 1.00 0.00 H new ATOM 0 HA ILE B 62 -7.719 3.487 -88.617 1.00 0.00 H new ATOM 0 HB ILE B 62 -7.881 5.658 -90.748 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -7.709 2.639 -91.035 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -9.206 3.547 -91.123 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -5.702 4.807 -91.517 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -5.607 5.469 -89.868 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -5.642 3.708 -90.119 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -8.356 3.040 -93.357 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -8.350 4.796 -93.070 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -6.830 3.875 -92.981 1.00 0.00 H new ATOM 1140 N ARG B 63 -6.393 5.036 -87.217 1.00 0.00 N ATOM 1141 CA ARG B 63 -5.559 5.920 -86.413 1.00 0.00 C ATOM 1142 C ARG B 63 -4.079 5.658 -86.662 1.00 0.00 C ATOM 1143 O ARG B 63 -3.591 4.548 -86.449 1.00 0.00 O ATOM 1144 CB ARG B 63 -5.860 5.742 -84.932 1.00 0.00 C ATOM 1145 CG ARG B 63 -7.277 6.107 -84.520 1.00 0.00 C ATOM 1146 CD ARG B 63 -7.520 7.569 -84.623 1.00 0.00 C ATOM 1147 NE ARG B 63 -8.861 7.929 -84.193 1.00 0.00 N ATOM 1148 CZ ARG B 63 -9.949 7.912 -84.988 1.00 0.00 C ATOM 1149 NH1 ARG B 63 -9.838 7.552 -86.248 1.00 0.00 N ATOM 1150 NH2 ARG B 63 -11.128 8.256 -84.501 1.00 0.00 N ATOM 0 H ARG B 63 -6.207 4.042 -87.080 1.00 0.00 H new ATOM 0 HA ARG B 63 -5.789 6.944 -86.708 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -5.674 4.703 -84.660 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -5.162 6.351 -84.358 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -7.988 5.575 -85.152 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.454 5.780 -83.495 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -6.789 8.102 -84.015 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -7.371 7.890 -85.654 1.00 0.00 H new ATOM 0 HE ARG B 63 -8.987 8.214 -83.222 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -8.928 7.285 -86.624 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -10.662 7.539 -86.849 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -11.215 8.534 -83.524 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -11.952 8.243 -85.102 1.00 0.00 H new ATOM 1164 N ILE B 64 -3.368 6.686 -87.115 1.00 0.00 N ATOM 1165 CA ILE B 64 -1.931 6.587 -87.334 1.00 0.00 C ATOM 1166 C ILE B 64 -1.177 7.634 -86.527 1.00 0.00 C ATOM 1167 O ILE B 64 -1.433 8.832 -86.655 1.00 0.00 O ATOM 1168 CB ILE B 64 -1.592 6.743 -88.828 1.00 0.00 C ATOM 1169 CG1 ILE B 64 -2.308 5.673 -89.654 1.00 0.00 C ATOM 1170 CG2 ILE B 64 -0.088 6.668 -89.042 1.00 0.00 C ATOM 1171 CD1 ILE B 64 -2.143 5.843 -91.147 1.00 0.00 C ATOM 0 H ILE B 64 -3.766 7.599 -87.338 1.00 0.00 H new ATOM 0 HA ILE B 64 -1.619 5.598 -87.000 1.00 0.00 H new ATOM 0 HB ILE B 64 -1.938 7.721 -89.161 1.00 0.00 H new ATOM 0 HG12 ILE B 64 -1.931 4.692 -89.366 1.00 0.00 H new ATOM 0 HG13 ILE B 64 -3.370 5.690 -89.411 1.00 0.00 H new ATOM 0 HG21 ILE B 64 0.135 6.780 -90.103 1.00 0.00 H new ATOM 0 HG22 ILE B 64 0.399 7.467 -88.483 1.00 0.00 H new ATOM 0 HG23 ILE B 64 0.281 5.703 -88.694 1.00 0.00 H new ATOM 0 HD11 ILE B 64 -2.678 5.047 -91.665 1.00 0.00 H new ATOM 0 HD12 ILE B 64 -2.547 6.809 -91.450 1.00 0.00 H new ATOM 0 HD13 ILE B 64 -1.085 5.795 -91.404 1.00 0.00 H new ATOM 1183 N SER B 65 -0.245 7.178 -85.697 1.00 0.00 N ATOM 1184 CA SER B 65 0.450 8.059 -84.767 1.00 0.00 C ATOM 1185 C SER B 65 1.930 7.710 -84.679 1.00 0.00 C ATOM 1186 O SER B 65 2.450 6.958 -85.503 1.00 0.00 O ATOM 1187 CB SER B 65 -0.181 7.971 -83.391 1.00 0.00 C ATOM 1188 OG SER B 65 0.329 8.958 -82.539 1.00 0.00 O ATOM 0 H SER B 65 0.047 6.202 -85.650 1.00 0.00 H new ATOM 0 HA SER B 65 0.360 9.079 -85.141 1.00 0.00 H new ATOM 0 HB2 SER B 65 -1.262 8.082 -83.475 1.00 0.00 H new ATOM 0 HB3 SER B 65 0.006 6.986 -82.964 1.00 0.00 H new ATOM 0 HG SER B 65 0.740 8.534 -81.757 1.00 0.00 H new ATOM 1194 N GLN B 66 2.605 8.260 -83.675 1.00 0.00 N ATOM 1195 CA GLN B 66 4.044 8.081 -83.530 1.00 0.00 C ATOM 1196 C GLN B 66 4.483 8.290 -82.087 1.00 0.00 C ATOM 1197 O GLN B 66 4.070 9.250 -81.435 1.00 0.00 O ATOM 1198 CB GLN B 66 4.799 9.044 -84.450 1.00 0.00 C ATOM 1199 CG GLN B 66 6.310 8.897 -84.402 1.00 0.00 C ATOM 1200 CD GLN B 66 7.020 9.919 -85.270 1.00 0.00 C ATOM 1201 OE1 GLN B 66 6.601 11.077 -85.358 1.00 0.00 O ATOM 1202 NE2 GLN B 66 8.100 9.496 -85.916 1.00 0.00 N ATOM 0 H GLN B 66 2.177 8.834 -82.949 1.00 0.00 H new ATOM 0 HA GLN B 66 4.281 7.056 -83.815 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.463 8.888 -85.475 1.00 0.00 H new ATOM 0 HB3 GLN B 66 4.536 10.067 -84.181 1.00 0.00 H new ATOM 0 HG2 GLN B 66 6.650 9.001 -83.372 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.585 7.894 -84.728 1.00 0.00 H new ATOM 0 HE21 GLN B 66 8.410 8.530 -85.813 1.00 0.00 H new ATOM 0 HE22 GLN B 66 8.620 10.137 -86.515 1.00 0.00 H new ATOM 1211 N GLU B 67 5.322 7.386 -81.592 1.00 0.00 N ATOM 1212 CA GLU B 67 5.855 7.496 -80.239 1.00 0.00 C ATOM 1213 C GLU B 67 7.370 7.344 -80.230 1.00 0.00 C ATOM 1214 O GLU B 67 7.956 6.808 -81.172 1.00 0.00 O ATOM 1215 CB GLU B 67 5.222 6.440 -79.329 1.00 0.00 C ATOM 1216 CG GLU B 67 5.548 5.004 -79.711 1.00 0.00 C ATOM 1217 CD GLU B 67 4.900 3.996 -78.803 1.00 0.00 C ATOM 1218 OE1 GLU B 67 4.216 4.398 -77.892 1.00 0.00 O ATOM 1219 OE2 GLU B 67 5.090 2.822 -79.020 1.00 0.00 O ATOM 0 H GLU B 67 5.648 6.569 -82.108 1.00 0.00 H new ATOM 0 HA GLU B 67 5.607 8.489 -79.863 1.00 0.00 H new ATOM 0 HB2 GLU B 67 5.553 6.615 -78.305 1.00 0.00 H new ATOM 0 HB3 GLU B 67 4.140 6.569 -79.341 1.00 0.00 H new ATOM 0 HG2 GLU B 67 5.224 4.823 -80.736 1.00 0.00 H new ATOM 0 HG3 GLU B 67 6.629 4.864 -79.689 1.00 0.00 H new ATOM 1226 N LYS B 68 8.002 7.817 -79.162 1.00 0.00 N ATOM 1227 CA LYS B 68 9.451 7.740 -79.031 1.00 0.00 C ATOM 1228 C LYS B 68 9.872 6.457 -78.323 1.00 0.00 C ATOM 1229 O LYS B 68 9.402 6.160 -77.225 1.00 0.00 O ATOM 1230 CB LYS B 68 9.989 8.956 -78.276 1.00 0.00 C ATOM 1231 CG LYS B 68 11.505 9.005 -78.158 1.00 0.00 C ATOM 1232 CD LYS B 68 11.963 10.264 -77.435 1.00 0.00 C ATOM 1233 CE LYS B 68 13.478 10.303 -77.297 1.00 0.00 C ATOM 1234 NZ LYS B 68 13.941 11.530 -76.594 1.00 0.00 N ATOM 0 H LYS B 68 7.531 8.259 -78.372 1.00 0.00 H new ATOM 0 HA LYS B 68 9.875 7.732 -80.035 1.00 0.00 H new ATOM 0 HB2 LYS B 68 9.647 9.861 -78.779 1.00 0.00 H new ATOM 0 HB3 LYS B 68 9.559 8.966 -77.275 1.00 0.00 H new ATOM 0 HG2 LYS B 68 11.859 8.125 -77.620 1.00 0.00 H new ATOM 0 HG3 LYS B 68 11.951 8.971 -79.152 1.00 0.00 H new ATOM 0 HD2 LYS B 68 11.623 11.144 -77.981 1.00 0.00 H new ATOM 0 HD3 LYS B 68 11.505 10.306 -76.447 1.00 0.00 H new ATOM 0 HE2 LYS B 68 13.815 9.422 -76.750 1.00 0.00 H new ATOM 0 HE3 LYS B 68 13.934 10.258 -78.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 14.978 11.518 -76.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 13.642 12.370 -77.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 13.527 11.561 -75.640 1.00 0.00 H new ATOM 1248 N GLN B 69 10.760 5.701 -78.960 1.00 0.00 N ATOM 1249 CA GLN B 69 11.347 4.520 -78.337 1.00 0.00 C ATOM 1250 C GLN B 69 12.867 4.551 -78.419 1.00 0.00 C ATOM 1251 O GLN B 69 13.445 4.395 -79.495 1.00 0.00 O ATOM 1252 CB GLN B 69 10.814 3.246 -78.998 1.00 0.00 C ATOM 1253 CG GLN B 69 11.383 1.961 -78.420 1.00 0.00 C ATOM 1254 CD GLN B 69 10.924 1.714 -76.995 1.00 0.00 C ATOM 1255 OE1 GLN B 69 9.732 1.528 -76.735 1.00 0.00 O ATOM 1256 NE2 GLN B 69 11.870 1.712 -76.062 1.00 0.00 N ATOM 0 H GLN B 69 11.089 5.885 -79.908 1.00 0.00 H new ATOM 0 HA GLN B 69 11.061 4.522 -77.285 1.00 0.00 H new ATOM 0 HB2 GLN B 69 9.729 3.226 -78.900 1.00 0.00 H new ATOM 0 HB3 GLN B 69 11.038 3.282 -80.064 1.00 0.00 H new ATOM 0 HG2 GLN B 69 11.083 1.120 -79.046 1.00 0.00 H new ATOM 0 HG3 GLN B 69 12.472 2.005 -78.445 1.00 0.00 H new ATOM 0 HE21 GLN B 69 12.843 1.870 -76.322 1.00 0.00 H new ATOM 0 HE22 GLN B 69 11.623 1.552 -75.085 1.00 0.00 H new ATOM 1265 N ASP B 70 13.512 4.755 -77.275 1.00 0.00 N ATOM 1266 CA ASP B 70 14.965 4.872 -77.224 1.00 0.00 C ATOM 1267 C ASP B 70 15.437 6.163 -77.883 1.00 0.00 C ATOM 1268 O ASP B 70 14.974 7.250 -77.542 1.00 0.00 O ATOM 1269 CB ASP B 70 15.624 3.672 -77.909 1.00 0.00 C ATOM 1270 CG ASP B 70 15.189 2.340 -77.314 1.00 0.00 C ATOM 1271 OD1 ASP B 70 14.654 2.340 -76.231 1.00 0.00 O ATOM 1272 OD2 ASP B 70 15.397 1.333 -77.949 1.00 0.00 O ATOM 0 H ASP B 70 13.051 4.843 -76.370 1.00 0.00 H new ATOM 0 HA ASP B 70 15.259 4.892 -76.175 1.00 0.00 H new ATOM 0 HB2 ASP B 70 15.380 3.687 -78.971 1.00 0.00 H new ATOM 0 HB3 ASP B 70 16.707 3.764 -77.829 1.00 0.00 H new ATOM 1277 N GLY B 71 16.361 6.034 -78.829 1.00 0.00 N ATOM 1278 CA GLY B 71 16.874 7.186 -79.561 1.00 0.00 C ATOM 1279 C GLY B 71 16.228 7.296 -80.936 1.00 0.00 C ATOM 1280 O GLY B 71 16.752 7.967 -81.826 1.00 0.00 O ATOM 0 H GLY B 71 16.770 5.142 -79.107 1.00 0.00 H new ATOM 0 HA2 GLY B 71 16.683 8.096 -78.992 1.00 0.00 H new ATOM 0 HA3 GLY B 71 17.955 7.099 -79.670 1.00 0.00 H new ATOM 1284 N MET B 72 15.088 6.636 -81.104 1.00 0.00 N ATOM 1285 CA MET B 72 14.350 6.688 -82.360 1.00 0.00 C ATOM 1286 C MET B 72 12.847 6.725 -82.115 1.00 0.00 C ATOM 1287 O MET B 72 12.389 6.583 -80.981 1.00 0.00 O ATOM 1288 CB MET B 72 14.718 5.494 -83.238 1.00 0.00 C ATOM 1289 CG MET B 72 14.325 4.142 -82.659 1.00 0.00 C ATOM 1290 SD MET B 72 15.072 2.761 -83.548 1.00 0.00 S ATOM 1291 CE MET B 72 16.799 2.983 -83.129 1.00 0.00 C ATOM 0 H MET B 72 14.654 6.058 -80.385 1.00 0.00 H new ATOM 0 HA MET B 72 14.627 7.606 -82.878 1.00 0.00 H new ATOM 0 HB2 MET B 72 14.239 5.612 -84.210 1.00 0.00 H new ATOM 0 HB3 MET B 72 15.794 5.503 -83.410 1.00 0.00 H new ATOM 0 HG2 MET B 72 14.624 4.099 -81.612 1.00 0.00 H new ATOM 0 HG3 MET B 72 13.240 4.042 -82.685 1.00 0.00 H new ATOM 0 HE1 MET B 72 17.206 2.044 -82.756 1.00 0.00 H new ATOM 0 HE2 MET B 72 17.352 3.291 -84.016 1.00 0.00 H new ATOM 0 HE3 MET B 72 16.891 3.750 -82.360 1.00 0.00 H new ATOM 1301 N ASP B 73 12.082 6.915 -83.185 1.00 0.00 N ATOM 1302 CA ASP B 73 10.627 6.932 -83.094 1.00 0.00 C ATOM 1303 C ASP B 73 10.020 5.702 -83.756 1.00 0.00 C ATOM 1304 O ASP B 73 10.663 5.043 -84.572 1.00 0.00 O ATOM 1305 CB ASP B 73 10.064 8.199 -83.742 1.00 0.00 C ATOM 1306 CG ASP B 73 10.449 9.469 -82.996 1.00 0.00 C ATOM 1307 OD1 ASP B 73 10.207 9.537 -81.814 1.00 0.00 O ATOM 1308 OD2 ASP B 73 10.983 10.359 -83.614 1.00 0.00 O ATOM 0 H ASP B 73 12.447 7.060 -84.127 1.00 0.00 H new ATOM 0 HA ASP B 73 10.361 6.922 -82.037 1.00 0.00 H new ATOM 0 HB2 ASP B 73 10.422 8.265 -84.769 1.00 0.00 H new ATOM 0 HB3 ASP B 73 8.977 8.126 -83.787 1.00 0.00 H new ATOM 1313 N VAL B 74 8.777 5.398 -83.399 1.00 0.00 N ATOM 1314 CA VAL B 74 8.077 4.250 -83.964 1.00 0.00 C ATOM 1315 C VAL B 74 6.742 4.664 -84.571 1.00 0.00 C ATOM 1316 O VAL B 74 5.966 5.393 -83.952 1.00 0.00 O ATOM 1317 CB VAL B 74 7.836 3.184 -82.878 1.00 0.00 C ATOM 1318 CG1 VAL B 74 7.043 2.017 -83.446 1.00 0.00 C ATOM 1319 CG2 VAL B 74 9.165 2.710 -82.314 1.00 0.00 C ATOM 0 H VAL B 74 8.233 5.931 -82.720 1.00 0.00 H new ATOM 0 HA VAL B 74 8.704 3.833 -84.752 1.00 0.00 H new ATOM 0 HB VAL B 74 7.254 3.627 -82.070 1.00 0.00 H new ATOM 0 HG11 VAL B 74 6.881 1.273 -82.666 1.00 0.00 H new ATOM 0 HG12 VAL B 74 6.080 2.375 -83.811 1.00 0.00 H new ATOM 0 HG13 VAL B 74 7.598 1.566 -84.268 1.00 0.00 H new ATOM 0 HG21 VAL B 74 8.987 1.957 -81.547 1.00 0.00 H new ATOM 0 HG22 VAL B 74 9.766 2.278 -83.114 1.00 0.00 H new ATOM 0 HG23 VAL B 74 9.697 3.555 -81.876 1.00 0.00 H new ATOM 1329 N LEU B 75 6.480 4.194 -85.786 1.00 0.00 N ATOM 1330 CA LEU B 75 5.225 4.490 -86.468 1.00 0.00 C ATOM 1331 C LEU B 75 4.156 3.461 -86.123 1.00 0.00 C ATOM 1332 O LEU B 75 4.380 2.257 -86.237 1.00 0.00 O ATOM 1333 CB LEU B 75 5.442 4.522 -87.986 1.00 0.00 C ATOM 1334 CG LEU B 75 4.195 4.818 -88.829 1.00 0.00 C ATOM 1335 CD1 LEU B 75 3.719 6.238 -88.550 1.00 0.00 C ATOM 1336 CD2 LEU B 75 4.524 4.631 -90.303 1.00 0.00 C ATOM 0 H LEU B 75 7.121 3.606 -86.319 1.00 0.00 H new ATOM 0 HA LEU B 75 4.883 5.468 -86.131 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.197 5.275 -88.211 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.849 3.560 -88.297 1.00 0.00 H new ATOM 0 HG LEU B 75 3.393 4.128 -88.565 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.833 6.449 -89.149 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.475 6.339 -87.492 1.00 0.00 H new ATOM 0 HD13 LEU B 75 4.508 6.944 -88.809 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.639 4.841 -90.903 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.325 5.314 -90.587 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.845 3.604 -90.477 1.00 0.00 H new ATOM 1348 N GLU B 76 2.992 3.945 -85.700 1.00 0.00 N ATOM 1349 CA GLU B 76 1.945 3.075 -85.177 1.00 0.00 C ATOM 1350 C GLU B 76 0.642 3.260 -85.943 1.00 0.00 C ATOM 1351 O GLU B 76 0.142 4.377 -86.075 1.00 0.00 O ATOM 1352 CB GLU B 76 1.718 3.351 -83.689 1.00 0.00 C ATOM 1353 CG GLU B 76 0.617 2.512 -83.056 1.00 0.00 C ATOM 1354 CD GLU B 76 0.409 2.822 -81.600 1.00 0.00 C ATOM 1355 OE1 GLU B 76 1.310 3.343 -80.988 1.00 0.00 O ATOM 1356 OE2 GLU B 76 -0.654 2.538 -81.098 1.00 0.00 O ATOM 0 H GLU B 76 2.750 4.936 -85.709 1.00 0.00 H new ATOM 0 HA GLU B 76 2.273 2.043 -85.304 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.649 3.171 -83.152 1.00 0.00 H new ATOM 0 HB3 GLU B 76 1.474 4.406 -83.560 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -0.316 2.679 -83.595 1.00 0.00 H new ATOM 0 HG3 GLU B 76 0.863 1.456 -83.166 1.00 0.00 H new ATOM 1363 N LEU B 77 0.097 2.158 -86.446 1.00 0.00 N ATOM 1364 CA LEU B 77 -1.182 2.187 -87.146 1.00 0.00 C ATOM 1365 C LEU B 77 -2.203 1.284 -86.465 1.00 0.00 C ATOM 1366 O LEU B 77 -1.927 0.118 -86.186 1.00 0.00 O ATOM 1367 CB LEU B 77 -0.998 1.751 -88.605 1.00 0.00 C ATOM 1368 CG LEU B 77 -0.058 2.622 -89.446 1.00 0.00 C ATOM 1369 CD1 LEU B 77 1.375 2.132 -89.281 1.00 0.00 C ATOM 1370 CD2 LEU B 77 -0.488 2.572 -90.905 1.00 0.00 C ATOM 0 H LEU B 77 0.521 1.233 -86.382 1.00 0.00 H new ATOM 0 HA LEU B 77 -1.555 3.211 -87.118 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.621 0.728 -88.614 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -1.976 1.735 -89.086 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.108 3.657 -89.108 1.00 0.00 H new ATOM 0 HD11 LEU B 77 2.043 2.752 -89.879 1.00 0.00 H new ATOM 0 HD12 LEU B 77 1.663 2.197 -88.232 1.00 0.00 H new ATOM 0 HD13 LEU B 77 1.446 1.096 -89.614 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.181 3.191 -91.503 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -0.445 1.543 -91.262 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -1.508 2.946 -90.997 1.00 0.00 H new ATOM 1382 N ASN B 78 -3.384 1.832 -86.198 1.00 0.00 N ATOM 1383 CA ASN B 78 -4.455 1.072 -85.564 1.00 0.00 C ATOM 1384 C ASN B 78 -5.725 1.104 -86.405 1.00 0.00 C ATOM 1385 O ASN B 78 -6.285 2.170 -86.661 1.00 0.00 O ATOM 1386 CB ASN B 78 -4.727 1.597 -84.166 1.00 0.00 C ATOM 1387 CG ASN B 78 -3.566 1.387 -83.234 1.00 0.00 C ATOM 1388 OD1 ASN B 78 -3.145 0.250 -82.993 1.00 0.00 O ATOM 1389 ND2 ASN B 78 -3.039 2.462 -82.706 1.00 0.00 N ATOM 0 H ASN B 78 -3.624 2.800 -86.411 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.130 0.034 -85.487 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -4.957 2.661 -84.220 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -5.608 1.100 -83.760 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -2.248 2.381 -82.067 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -3.419 3.381 -82.933 1.00 0.00 H new ATOM 1396 N ILE B 79 -6.175 -0.071 -86.832 1.00 0.00 N ATOM 1397 CA ILE B 79 -7.355 -0.177 -87.682 1.00 0.00 C ATOM 1398 C ILE B 79 -8.461 -0.966 -86.994 1.00 0.00 C ATOM 1399 O ILE B 79 -8.300 -2.149 -86.696 1.00 0.00 O ATOM 1400 CB ILE B 79 -7.005 -0.845 -89.025 1.00 0.00 C ATOM 1401 CG1 ILE B 79 -5.887 -0.074 -89.730 1.00 0.00 C ATOM 1402 CG2 ILE B 79 -8.239 -0.931 -89.912 1.00 0.00 C ATOM 1403 CD1 ILE B 79 -4.500 -0.587 -89.415 1.00 0.00 C ATOM 0 H ILE B 79 -5.740 -0.964 -86.603 1.00 0.00 H new ATOM 0 HA ILE B 79 -7.712 0.836 -87.869 1.00 0.00 H new ATOM 0 HB ILE B 79 -6.652 -1.857 -88.828 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -6.047 -0.124 -90.807 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -5.949 0.977 -89.447 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -7.975 -1.405 -90.857 1.00 0.00 H new ATOM 0 HG22 ILE B 79 -9.006 -1.521 -89.411 1.00 0.00 H new ATOM 0 HG23 ILE B 79 -8.620 0.072 -90.103 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.761 0.009 -89.951 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -4.319 -0.511 -88.343 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -4.419 -1.629 -89.724 1.00 0.00 H new ATOM 1415 N THR B 80 -9.585 -0.303 -86.744 1.00 0.00 N ATOM 1416 CA THR B 80 -10.720 -0.940 -86.087 1.00 0.00 C ATOM 1417 C THR B 80 -11.506 -1.806 -87.064 1.00 0.00 C ATOM 1418 O THR B 80 -12.007 -1.318 -88.077 1.00 0.00 O ATOM 1419 CB THR B 80 -11.655 0.107 -85.456 1.00 0.00 C ATOM 1420 OG1 THR B 80 -10.933 0.871 -84.481 1.00 0.00 O ATOM 1421 CG2 THR B 80 -12.840 -0.570 -84.786 1.00 0.00 C ATOM 0 H THR B 80 -9.734 0.676 -86.987 1.00 0.00 H new ATOM 0 HA THR B 80 -10.320 -1.576 -85.297 1.00 0.00 H new ATOM 0 HB THR B 80 -12.023 0.764 -86.244 1.00 0.00 H new ATOM 0 HG1 THR B 80 -11.529 1.538 -84.081 1.00 0.00 H new ATOM 0 HG21 THR B 80 -13.490 0.186 -84.346 1.00 0.00 H new ATOM 0 HG22 THR B 80 -13.399 -1.142 -85.527 1.00 0.00 H new ATOM 0 HG23 THR B 80 -12.482 -1.240 -84.005 1.00 0.00 H new ATOM 1429 N LEU B 81 -11.613 -3.093 -86.753 1.00 0.00 N ATOM 1430 CA LEU B 81 -12.273 -4.044 -87.640 1.00 0.00 C ATOM 1431 C LEU B 81 -13.738 -4.222 -87.263 1.00 0.00 C ATOM 1432 O LEU B 81 -14.131 -3.972 -86.123 1.00 0.00 O ATOM 1433 CB LEU B 81 -11.557 -5.399 -87.591 1.00 0.00 C ATOM 1434 CG LEU B 81 -10.054 -5.369 -87.898 1.00 0.00 C ATOM 1435 CD1 LEU B 81 -9.476 -6.769 -87.738 1.00 0.00 C ATOM 1436 CD2 LEU B 81 -9.834 -4.844 -89.308 1.00 0.00 C ATOM 0 H LEU B 81 -11.251 -3.502 -85.892 1.00 0.00 H new ATOM 0 HA LEU B 81 -12.225 -3.646 -88.654 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -11.698 -5.828 -86.599 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -12.041 -6.071 -88.300 1.00 0.00 H new ATOM 0 HG LEU B 81 -9.544 -4.704 -87.201 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -8.408 -6.749 -87.956 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -9.631 -7.112 -86.715 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -9.974 -7.449 -88.428 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -8.766 -4.823 -89.526 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -10.337 -5.496 -90.022 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.241 -3.836 -89.389 1.00 0.00 H new TER 1448 LEU B 81