USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 786 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: B 34 GLN : amide:sc= -0.468 X(o=-0.2,f=-0.046) USER MOD Set 1.2: B 38 TYR OH : rot 180:sc= 0.263 USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -0.123 F(o=-0.67,f=0.03) USER MOD Set 2.2: B 49 TYR OH : rot 99:sc= 0.153 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.969 X(o=1.9,f=1.5) USER MOD Set 3.2: A 38 TYR OH : rot 165:sc= 0.929 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.128 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.062 USER MOD Single : A 13 SER OG : rot 98:sc= 1.31 USER MOD Single : A 15 SER OG : rot 166:sc= 0.0864 USER MOD Single : A 16 GLN : amide:sc= 0.596 K(o=0.6,f=-0.032) USER MOD Single : A 17 MET CE :methyl -170:sc= 0 (180deg=-0.123) USER MOD Single : A 19 SER OG : rot 65:sc= 1.2 USER MOD Single : A 20 MET CE :methyl -164:sc= -0.0796 (180deg=-0.507) USER MOD Single : A 23 SER OG : rot 180:sc= -0.043 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 162:sc= 0.313 USER MOD Single : A 36 LYS NZ :NH3+ -107:sc= 1.77 (180deg=-1.82) USER MOD Single : A 37 ASN : amide:sc= 0.678 K(o=0.68,f=-6.2!) USER MOD Single : A 46 THR OG1 : rot 64:sc= 1.08 USER MOD Single : A 49 TYR OH : rot -168:sc= 0.257 USER MOD Single : A 50 SER OG : rot -48:sc= 0.486 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -126:sc= 0.0835 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 13 SER OG : rot 89:sc= 0.0375 USER MOD Single : B 15 SER OG : rot 41:sc= 0.151 USER MOD Single : B 16 GLN : amide:sc= -0.275 K(o=-0.28,f=-0.88) USER MOD Single : B 17 MET CE :methyl -173:sc= 0 (180deg=-0.0636) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 MET CE :methyl -148:sc= -0.122 (180deg=-1.01) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 144:sc= 0.77 USER MOD Single : B 36 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.942) USER MOD Single : B 37 ASN : amide:sc= 0.248 K(o=0.25,f=-3.7!) USER MOD Single : B 46 THR OG1 : rot 51:sc= 0.912 USER MOD Single : B 48 GLN : amide:sc= -0.0163 K(o=-0.016,f=-0.85) USER MOD Single : B 50 SER OG : rot -64:sc= 1.07 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.170 19.661 -2.440 1.00 10.00 N ATOM 2 CA GLY A 1 18.975 18.670 -3.194 1.00 10.00 C ATOM 3 C GLY A 1 19.614 17.650 -2.282 1.00 10.00 C ATOM 4 O GLY A 1 19.389 17.676 -1.072 1.00 10.00 O ATOM 0 H1 GLY A 1 17.188 19.644 -2.783 1.00 10.00 H new ATOM 0 H2 GLY A 1 18.187 19.424 -1.428 1.00 10.00 H new ATOM 0 H3 GLY A 1 18.570 20.611 -2.579 1.00 10.00 H new ATOM 0 HA2 GLY A 1 18.339 18.161 -3.918 1.00 10.00 H new ATOM 0 HA3 GLY A 1 19.750 19.187 -3.759 1.00 10.00 H new ATOM 10 N SER A 2 20.396 16.748 -2.856 1.00 10.00 N ATOM 11 CA SER A 2 21.073 15.714 -2.090 1.00 10.00 C ATOM 12 C SER A 2 22.434 16.216 -1.599 1.00 10.00 C ATOM 13 O SER A 2 23.349 16.419 -2.398 1.00 10.00 O ATOM 14 CB SER A 2 21.250 14.467 -2.958 1.00 10.00 C ATOM 15 OG SER A 2 20.588 14.624 -4.207 1.00 10.00 O ATOM 0 H SER A 2 20.578 16.712 -3.859 1.00 10.00 H new ATOM 0 HA SER A 2 20.467 15.462 -1.220 1.00 10.00 H new ATOM 0 HB2 SER A 2 22.311 14.282 -3.124 1.00 10.00 H new ATOM 0 HB3 SER A 2 20.852 13.596 -2.437 1.00 10.00 H new ATOM 0 HG SER A 2 20.715 13.817 -4.748 1.00 10.00 H new ATOM 21 N PRO A 3 22.575 16.443 -0.284 1.00 10.00 N ATOM 22 CA PRO A 3 23.817 16.926 0.306 1.00 10.00 C ATOM 23 C PRO A 3 24.762 15.783 0.697 1.00 10.00 C ATOM 24 O PRO A 3 24.316 14.655 0.916 1.00 10.00 O ATOM 25 CB PRO A 3 23.319 17.660 1.551 1.00 10.00 C ATOM 26 CG PRO A 3 22.103 16.904 1.976 1.00 10.00 C ATOM 27 CD PRO A 3 21.528 16.256 0.737 1.00 10.00 C ATOM 0 HA PRO A 3 24.397 17.542 -0.381 1.00 10.00 H new ATOM 0 HB2 PRO A 3 24.075 17.667 2.336 1.00 10.00 H new ATOM 0 HB3 PRO A 3 23.081 18.700 1.329 1.00 10.00 H new ATOM 0 HG2 PRO A 3 22.358 16.151 2.722 1.00 10.00 H new ATOM 0 HG3 PRO A 3 21.374 17.572 2.435 1.00 10.00 H new ATOM 0 HD2 PRO A 3 21.315 15.200 0.901 1.00 10.00 H new ATOM 0 HD3 PRO A 3 20.591 16.727 0.439 1.00 10.00 H new ATOM 35 N PRO A 4 26.076 16.063 0.802 1.00 10.00 N ATOM 36 CA PRO A 4 27.083 15.054 1.174 1.00 10.00 C ATOM 37 C PRO A 4 26.836 14.477 2.566 1.00 10.00 C ATOM 38 O PRO A 4 27.384 13.437 2.932 1.00 10.00 O ATOM 39 CB PRO A 4 28.408 15.828 1.154 1.00 10.00 C ATOM 40 CG PRO A 4 28.137 17.042 0.334 1.00 10.00 C ATOM 41 CD PRO A 4 26.691 17.376 0.548 1.00 10.00 C ATOM 0 HA PRO A 4 27.064 14.201 0.495 1.00 10.00 H new ATOM 0 HB2 PRO A 4 28.723 16.096 2.162 1.00 10.00 H new ATOM 0 HB3 PRO A 4 29.208 15.229 0.719 1.00 10.00 H new ATOM 0 HG2 PRO A 4 28.777 17.869 0.640 1.00 10.00 H new ATOM 0 HG3 PRO A 4 28.341 16.854 -0.720 1.00 10.00 H new ATOM 0 HD2 PRO A 4 26.555 18.054 1.391 1.00 10.00 H new ATOM 0 HD3 PRO A 4 26.256 17.862 -0.326 1.00 10.00 H new ATOM 49 N GLU A 5 26.000 15.159 3.338 1.00 10.00 N ATOM 50 CA GLU A 5 25.675 14.724 4.686 1.00 10.00 C ATOM 51 C GLU A 5 24.741 13.520 4.662 1.00 10.00 C ATOM 52 O GLU A 5 24.623 12.792 5.653 1.00 10.00 O ATOM 53 CB GLU A 5 25.034 15.866 5.468 1.00 10.00 C ATOM 54 CG GLU A 5 25.947 17.066 5.650 1.00 10.00 C ATOM 55 CD GLU A 5 27.351 16.679 6.073 1.00 10.00 C ATOM 56 OE1 GLU A 5 27.499 15.771 6.916 1.00 10.00 O ATOM 57 OE2 GLU A 5 28.316 17.282 5.558 1.00 10.00 O ATOM 0 H GLU A 5 25.534 16.019 3.050 1.00 10.00 H new ATOM 0 HA GLU A 5 26.601 14.429 5.179 1.00 10.00 H new ATOM 0 HB2 GLU A 5 24.128 16.184 4.953 1.00 10.00 H new ATOM 0 HB3 GLU A 5 24.731 15.499 6.448 1.00 10.00 H new ATOM 0 HG2 GLU A 5 25.995 17.625 4.715 1.00 10.00 H new ATOM 0 HG3 GLU A 5 25.518 17.733 6.398 1.00 10.00 H new ATOM 64 N ALA A 6 24.088 13.311 3.528 1.00 10.00 N ATOM 65 CA ALA A 6 23.166 12.201 3.375 1.00 10.00 C ATOM 66 C ALA A 6 23.920 10.910 3.094 1.00 10.00 C ATOM 67 O ALA A 6 24.938 10.912 2.396 1.00 10.00 O ATOM 68 CB ALA A 6 22.165 12.486 2.264 1.00 10.00 C ATOM 0 H ALA A 6 24.182 13.899 2.700 1.00 10.00 H new ATOM 0 HA ALA A 6 22.619 12.081 4.310 1.00 10.00 H new ATOM 0 HB1 ALA A 6 21.482 11.642 2.164 1.00 10.00 H new ATOM 0 HB2 ALA A 6 21.598 13.385 2.507 1.00 10.00 H new ATOM 0 HB3 ALA A 6 22.697 12.635 1.324 1.00 10.00 H new ATOM 74 N ASP A 7 23.422 9.814 3.642 1.00 10.00 N ATOM 75 CA ASP A 7 24.047 8.509 3.460 1.00 10.00 C ATOM 76 C ASP A 7 23.792 7.982 2.048 1.00 10.00 C ATOM 77 O ASP A 7 22.640 7.821 1.637 1.00 10.00 O ATOM 78 CB ASP A 7 23.511 7.513 4.493 1.00 10.00 C ATOM 79 CG ASP A 7 24.408 6.303 4.661 1.00 10.00 C ATOM 80 OD1 ASP A 7 24.570 5.530 3.693 1.00 10.00 O ATOM 81 OD2 ASP A 7 24.952 6.114 5.772 1.00 10.00 O ATOM 0 H ASP A 7 22.582 9.800 4.220 1.00 10.00 H new ATOM 0 HA ASP A 7 25.122 8.623 3.602 1.00 10.00 H new ATOM 0 HB2 ASP A 7 23.403 8.016 5.454 1.00 10.00 H new ATOM 0 HB3 ASP A 7 22.517 7.184 4.192 1.00 10.00 H new ATOM 86 N PRO A 8 24.865 7.694 1.295 1.00 10.00 N ATOM 87 CA PRO A 8 24.760 7.188 -0.079 1.00 10.00 C ATOM 88 C PRO A 8 24.069 5.827 -0.159 1.00 10.00 C ATOM 89 O PRO A 8 23.561 5.439 -1.211 1.00 10.00 O ATOM 90 CB PRO A 8 26.216 7.077 -0.542 1.00 10.00 C ATOM 91 CG PRO A 8 27.021 7.028 0.712 1.00 10.00 C ATOM 92 CD PRO A 8 26.268 7.845 1.721 1.00 10.00 C ATOM 0 HA PRO A 8 24.152 7.847 -0.699 1.00 10.00 H new ATOM 0 HB2 PRO A 8 26.371 6.182 -1.145 1.00 10.00 H new ATOM 0 HB3 PRO A 8 26.499 7.930 -1.159 1.00 10.00 H new ATOM 0 HG2 PRO A 8 27.145 6.001 1.056 1.00 10.00 H new ATOM 0 HG3 PRO A 8 28.020 7.433 0.550 1.00 10.00 H new ATOM 0 HD2 PRO A 8 26.423 7.476 2.735 1.00 10.00 H new ATOM 0 HD3 PRO A 8 26.582 8.889 1.710 1.00 10.00 H new ATOM 100 N ARG A 9 24.044 5.106 0.951 1.00 10.00 N ATOM 101 CA ARG A 9 23.412 3.796 0.989 1.00 10.00 C ATOM 102 C ARG A 9 21.944 3.930 1.361 1.00 10.00 C ATOM 103 O ARG A 9 21.103 3.152 0.909 1.00 10.00 O ATOM 104 CB ARG A 9 24.126 2.889 1.989 1.00 10.00 C ATOM 105 CG ARG A 9 25.624 2.777 1.751 1.00 10.00 C ATOM 106 CD ARG A 9 26.352 2.333 3.009 1.00 10.00 C ATOM 107 NE ARG A 9 26.210 3.312 4.095 1.00 10.00 N ATOM 108 CZ ARG A 9 26.887 3.253 5.241 1.00 10.00 C ATOM 109 NH1 ARG A 9 27.721 2.246 5.469 1.00 10.00 N ATOM 110 NH2 ARG A 9 26.716 4.188 6.165 1.00 10.00 N ATOM 0 H ARG A 9 24.453 5.405 1.836 1.00 10.00 H new ATOM 0 HA ARG A 9 23.484 3.348 -0.002 1.00 10.00 H new ATOM 0 HB2 ARG A 9 23.954 3.268 2.997 1.00 10.00 H new ATOM 0 HB3 ARG A 9 23.684 1.894 1.943 1.00 10.00 H new ATOM 0 HG2 ARG A 9 25.814 2.065 0.948 1.00 10.00 H new ATOM 0 HG3 ARG A 9 26.015 3.740 1.423 1.00 10.00 H new ATOM 0 HD2 ARG A 9 25.960 1.369 3.335 1.00 10.00 H new ATOM 0 HD3 ARG A 9 27.409 2.189 2.786 1.00 10.00 H new ATOM 0 HE ARG A 9 25.554 4.082 3.964 1.00 10.00 H new ATOM 0 HH11 ARG A 9 27.844 1.517 4.767 1.00 10.00 H new ATOM 0 HH12 ARG A 9 28.239 2.202 6.347 1.00 10.00 H new ATOM 0 HH21 ARG A 9 26.065 4.955 6.000 1.00 10.00 H new ATOM 0 HH22 ARG A 9 27.236 4.140 7.041 1.00 10.00 H new ATOM 124 N LEU A 10 21.637 4.935 2.175 1.00 10.00 N ATOM 125 CA LEU A 10 20.266 5.174 2.612 1.00 10.00 C ATOM 126 C LEU A 10 19.400 5.622 1.442 1.00 10.00 C ATOM 127 O LEU A 10 18.247 5.211 1.319 1.00 10.00 O ATOM 128 CB LEU A 10 20.232 6.223 3.724 1.00 10.00 C ATOM 129 CG LEU A 10 18.848 6.502 4.312 1.00 10.00 C ATOM 130 CD1 LEU A 10 18.346 5.299 5.097 1.00 10.00 C ATOM 131 CD2 LEU A 10 18.885 7.741 5.195 1.00 10.00 C ATOM 0 H LEU A 10 22.319 5.597 2.545 1.00 10.00 H new ATOM 0 HA LEU A 10 19.866 4.238 3.002 1.00 10.00 H new ATOM 0 HB2 LEU A 10 20.892 5.899 4.528 1.00 10.00 H new ATOM 0 HB3 LEU A 10 20.639 7.156 3.334 1.00 10.00 H new ATOM 0 HG LEU A 10 18.156 6.686 3.490 1.00 10.00 H new ATOM 0 HD11 LEU A 10 17.360 5.518 5.507 1.00 10.00 H new ATOM 0 HD12 LEU A 10 18.280 4.435 4.436 1.00 10.00 H new ATOM 0 HD13 LEU A 10 19.037 5.081 5.911 1.00 10.00 H new ATOM 0 HD21 LEU A 10 17.892 7.925 5.605 1.00 10.00 H new ATOM 0 HD22 LEU A 10 19.591 7.586 6.010 1.00 10.00 H new ATOM 0 HD23 LEU A 10 19.198 8.601 4.603 1.00 10.00 H new ATOM 143 N ILE A 11 19.960 6.454 0.579 1.00 10.00 N ATOM 144 CA ILE A 11 19.228 6.944 -0.582 1.00 10.00 C ATOM 145 C ILE A 11 19.045 5.825 -1.609 1.00 10.00 C ATOM 146 O ILE A 11 18.127 5.861 -2.430 1.00 10.00 O ATOM 147 CB ILE A 11 19.943 8.157 -1.226 1.00 10.00 C ATOM 148 CG1 ILE A 11 19.064 8.806 -2.303 1.00 10.00 C ATOM 149 CG2 ILE A 11 21.286 7.741 -1.816 1.00 10.00 C ATOM 150 CD1 ILE A 11 19.587 10.139 -2.789 1.00 10.00 C ATOM 0 H ILE A 11 20.915 6.804 0.658 1.00 10.00 H new ATOM 0 HA ILE A 11 18.246 7.275 -0.244 1.00 10.00 H new ATOM 0 HB ILE A 11 20.122 8.894 -0.443 1.00 10.00 H new ATOM 0 HG12 ILE A 11 18.982 8.126 -3.151 1.00 10.00 H new ATOM 0 HG13 ILE A 11 18.058 8.943 -1.905 1.00 10.00 H new ATOM 0 HG21 ILE A 11 21.771 8.608 -2.263 1.00 10.00 H new ATOM 0 HG22 ILE A 11 21.920 7.337 -1.027 1.00 10.00 H new ATOM 0 HG23 ILE A 11 21.128 6.980 -2.580 1.00 10.00 H new ATOM 0 HD11 ILE A 11 18.915 10.538 -3.549 1.00 10.00 H new ATOM 0 HD12 ILE A 11 19.643 10.835 -1.952 1.00 10.00 H new ATOM 0 HD13 ILE A 11 20.581 10.006 -3.217 1.00 10.00 H new ATOM 162 N GLU A 12 19.897 4.805 -1.522 1.00 10.00 N ATOM 163 CA GLU A 12 19.837 3.679 -2.440 1.00 10.00 C ATOM 164 C GLU A 12 18.636 2.788 -2.148 1.00 10.00 C ATOM 165 O GLU A 12 18.281 1.931 -2.954 1.00 10.00 O ATOM 166 CB GLU A 12 21.123 2.861 -2.361 1.00 10.00 C ATOM 167 CG GLU A 12 22.166 3.274 -3.381 1.00 10.00 C ATOM 168 CD GLU A 12 21.640 3.215 -4.797 1.00 10.00 C ATOM 169 OE1 GLU A 12 21.645 2.114 -5.389 1.00 10.00 O ATOM 170 OE2 GLU A 12 21.222 4.267 -5.323 1.00 10.00 O ATOM 0 H GLU A 12 20.637 4.739 -0.823 1.00 10.00 H new ATOM 0 HA GLU A 12 19.727 4.078 -3.448 1.00 10.00 H new ATOM 0 HB2 GLU A 12 21.546 2.959 -1.361 1.00 10.00 H new ATOM 0 HB3 GLU A 12 20.883 1.807 -2.504 1.00 10.00 H new ATOM 0 HG2 GLU A 12 22.503 4.288 -3.163 1.00 10.00 H new ATOM 0 HG3 GLU A 12 23.036 2.623 -3.292 1.00 10.00 H new ATOM 177 N SER A 13 18.020 2.983 -0.988 1.00 10.00 N ATOM 178 CA SER A 13 16.855 2.195 -0.608 1.00 10.00 C ATOM 179 C SER A 13 15.672 2.505 -1.528 1.00 10.00 C ATOM 180 O SER A 13 14.872 1.628 -1.850 1.00 10.00 O ATOM 181 CB SER A 13 16.478 2.486 0.842 1.00 10.00 C ATOM 182 OG SER A 13 17.635 2.626 1.649 1.00 10.00 O ATOM 0 H SER A 13 18.307 3.677 -0.297 1.00 10.00 H new ATOM 0 HA SER A 13 17.104 1.139 -0.708 1.00 10.00 H new ATOM 0 HB2 SER A 13 15.883 3.398 0.891 1.00 10.00 H new ATOM 0 HB3 SER A 13 15.856 1.679 1.229 1.00 10.00 H new ATOM 0 HG SER A 13 17.844 3.577 1.759 1.00 10.00 H new ATOM 188 N LEU A 14 15.583 3.758 -1.967 1.00 10.00 N ATOM 189 CA LEU A 14 14.504 4.179 -2.849 1.00 10.00 C ATOM 190 C LEU A 14 14.732 3.629 -4.252 1.00 10.00 C ATOM 191 O LEU A 14 13.811 3.105 -4.884 1.00 10.00 O ATOM 192 CB LEU A 14 14.403 5.706 -2.890 1.00 10.00 C ATOM 193 CG LEU A 14 14.100 6.372 -1.546 1.00 10.00 C ATOM 194 CD1 LEU A 14 15.283 7.209 -1.084 1.00 10.00 C ATOM 195 CD2 LEU A 14 12.842 7.224 -1.645 1.00 10.00 C ATOM 0 H LEU A 14 16.244 4.496 -1.726 1.00 10.00 H new ATOM 0 HA LEU A 14 13.565 3.784 -2.460 1.00 10.00 H new ATOM 0 HB2 LEU A 14 15.341 6.107 -3.273 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.624 5.984 -3.600 1.00 10.00 H new ATOM 0 HG LEU A 14 13.927 5.591 -0.806 1.00 10.00 H new ATOM 0 HD11 LEU A 14 15.048 7.674 -0.127 1.00 10.00 H new ATOM 0 HD12 LEU A 14 16.159 6.570 -0.971 1.00 10.00 H new ATOM 0 HD13 LEU A 14 15.491 7.983 -1.822 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.641 7.690 -0.680 1.00 10.00 H new ATOM 0 HD22 LEU A 14 12.985 7.998 -2.399 1.00 10.00 H new ATOM 0 HD23 LEU A 14 11.998 6.595 -1.926 1.00 10.00 H new ATOM 207 N SER A 15 15.969 3.730 -4.723 1.00 10.00 N ATOM 208 CA SER A 15 16.325 3.236 -6.042 1.00 10.00 C ATOM 209 C SER A 15 16.214 1.714 -6.086 1.00 10.00 C ATOM 210 O SER A 15 15.929 1.133 -7.131 1.00 10.00 O ATOM 211 CB SER A 15 17.743 3.680 -6.396 1.00 10.00 C ATOM 212 OG SER A 15 18.410 4.188 -5.253 1.00 10.00 O ATOM 0 H SER A 15 16.742 4.151 -4.208 1.00 10.00 H new ATOM 0 HA SER A 15 15.633 3.651 -6.775 1.00 10.00 H new ATOM 0 HB2 SER A 15 18.302 2.838 -6.805 1.00 10.00 H new ATOM 0 HB3 SER A 15 17.707 4.445 -7.172 1.00 10.00 H new ATOM 0 HG SER A 15 19.371 4.251 -5.436 1.00 10.00 H new ATOM 218 N GLN A 16 16.436 1.081 -4.935 1.00 10.00 N ATOM 219 CA GLN A 16 16.352 -0.368 -4.818 1.00 10.00 C ATOM 220 C GLN A 16 14.959 -0.854 -5.205 1.00 10.00 C ATOM 221 O GLN A 16 14.815 -1.789 -5.996 1.00 10.00 O ATOM 222 CB GLN A 16 16.674 -0.804 -3.389 1.00 10.00 C ATOM 223 CG GLN A 16 16.549 -2.302 -3.166 1.00 10.00 C ATOM 224 CD GLN A 16 17.465 -3.107 -4.066 1.00 10.00 C ATOM 225 OE1 GLN A 16 18.615 -3.371 -3.718 1.00 10.00 O ATOM 226 NE2 GLN A 16 16.965 -3.502 -5.228 1.00 10.00 N ATOM 0 H GLN A 16 16.677 1.557 -4.065 1.00 10.00 H new ATOM 0 HA GLN A 16 17.081 -0.810 -5.497 1.00 10.00 H new ATOM 0 HB2 GLN A 16 17.689 -0.492 -3.143 1.00 10.00 H new ATOM 0 HB3 GLN A 16 16.006 -0.286 -2.701 1.00 10.00 H new ATOM 0 HG2 GLN A 16 16.777 -2.530 -2.125 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.517 -2.606 -3.340 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.006 -3.262 -5.479 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.539 -4.046 -5.872 1.00 10.00 H new ATOM 235 N MET A 17 13.938 -0.210 -4.654 1.00 10.00 N ATOM 236 CA MET A 17 12.559 -0.577 -4.947 1.00 10.00 C ATOM 237 C MET A 17 12.252 -0.323 -6.418 1.00 10.00 C ATOM 238 O MET A 17 11.627 -1.145 -7.091 1.00 10.00 O ATOM 239 CB MET A 17 11.591 0.210 -4.062 1.00 10.00 C ATOM 240 CG MET A 17 11.814 -0.006 -2.571 1.00 10.00 C ATOM 241 SD MET A 17 11.665 -1.737 -2.084 1.00 10.00 S ATOM 242 CE MET A 17 9.904 -2.004 -2.286 1.00 10.00 C ATOM 0 H MET A 17 14.039 0.568 -4.002 1.00 10.00 H new ATOM 0 HA MET A 17 12.431 -1.639 -4.736 1.00 10.00 H new ATOM 0 HB2 MET A 17 11.690 1.272 -4.285 1.00 10.00 H new ATOM 0 HB3 MET A 17 10.569 -0.075 -4.313 1.00 10.00 H new ATOM 0 HG2 MET A 17 12.805 0.359 -2.300 1.00 10.00 H new ATOM 0 HG3 MET A 17 11.092 0.588 -2.011 1.00 10.00 H new ATOM 0 HE1 MET A 17 9.631 -2.968 -1.857 1.00 10.00 H new ATOM 0 HE2 MET A 17 9.355 -1.212 -1.777 1.00 10.00 H new ATOM 0 HE3 MET A 17 9.654 -1.995 -3.347 1.00 10.00 H new ATOM 252 N LEU A 18 12.725 0.814 -6.911 1.00 10.00 N ATOM 253 CA LEU A 18 12.532 1.200 -8.302 1.00 10.00 C ATOM 254 C LEU A 18 13.173 0.181 -9.243 1.00 10.00 C ATOM 255 O LEU A 18 12.597 -0.173 -10.272 1.00 10.00 O ATOM 256 CB LEU A 18 13.134 2.589 -8.540 1.00 10.00 C ATOM 257 CG LEU A 18 13.046 3.113 -9.977 1.00 10.00 C ATOM 258 CD1 LEU A 18 11.792 3.952 -10.165 1.00 10.00 C ATOM 259 CD2 LEU A 18 14.286 3.919 -10.324 1.00 10.00 C ATOM 0 H LEU A 18 13.251 1.492 -6.360 1.00 10.00 H new ATOM 0 HA LEU A 18 11.462 1.229 -8.510 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.633 3.299 -7.882 1.00 10.00 H new ATOM 0 HB3 LEU A 18 14.183 2.566 -8.245 1.00 10.00 H new ATOM 0 HG LEU A 18 12.990 2.259 -10.652 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.748 4.315 -11.192 1.00 10.00 H new ATOM 0 HD12 LEU A 18 10.912 3.343 -9.957 1.00 10.00 H new ATOM 0 HD13 LEU A 18 11.816 4.800 -9.481 1.00 10.00 H new ATOM 0 HD21 LEU A 18 14.208 4.284 -11.348 1.00 10.00 H new ATOM 0 HD22 LEU A 18 14.372 4.765 -9.643 1.00 10.00 H new ATOM 0 HD23 LEU A 18 15.169 3.287 -10.231 1.00 10.00 H new ATOM 271 N SER A 19 14.358 -0.303 -8.875 1.00 10.00 N ATOM 272 CA SER A 19 15.076 -1.282 -9.688 1.00 10.00 C ATOM 273 C SER A 19 14.431 -2.663 -9.570 1.00 10.00 C ATOM 274 O SER A 19 14.520 -3.478 -10.488 1.00 10.00 O ATOM 275 CB SER A 19 16.547 -1.345 -9.262 1.00 10.00 C ATOM 276 OG SER A 19 17.135 -0.053 -9.263 1.00 10.00 O ATOM 0 H SER A 19 14.841 -0.033 -8.018 1.00 10.00 H new ATOM 0 HA SER A 19 15.023 -0.968 -10.730 1.00 10.00 H new ATOM 0 HB2 SER A 19 16.622 -1.781 -8.266 1.00 10.00 H new ATOM 0 HB3 SER A 19 17.097 -1.999 -9.939 1.00 10.00 H new ATOM 0 HG SER A 19 16.699 0.505 -8.585 1.00 10.00 H new ATOM 282 N MET A 20 13.774 -2.911 -8.439 1.00 10.00 N ATOM 283 CA MET A 20 13.105 -4.186 -8.192 1.00 10.00 C ATOM 284 C MET A 20 11.804 -4.260 -8.992 1.00 10.00 C ATOM 285 O MET A 20 11.200 -5.325 -9.142 1.00 10.00 O ATOM 286 CB MET A 20 12.824 -4.350 -6.693 1.00 10.00 C ATOM 287 CG MET A 20 12.318 -5.730 -6.308 1.00 10.00 C ATOM 288 SD MET A 20 11.912 -5.866 -4.554 1.00 10.00 S ATOM 289 CE MET A 20 13.503 -5.539 -3.794 1.00 10.00 C ATOM 0 H MET A 20 13.691 -2.241 -7.675 1.00 10.00 H new ATOM 0 HA MET A 20 13.757 -4.998 -8.514 1.00 10.00 H new ATOM 0 HB2 MET A 20 13.738 -4.141 -6.137 1.00 10.00 H new ATOM 0 HB3 MET A 20 12.088 -3.606 -6.388 1.00 10.00 H new ATOM 0 HG2 MET A 20 11.433 -5.965 -6.900 1.00 10.00 H new ATOM 0 HG3 MET A 20 13.076 -6.472 -6.559 1.00 10.00 H new ATOM 0 HE1 MET A 20 13.482 -5.862 -2.753 1.00 10.00 H new ATOM 0 HE2 MET A 20 14.280 -6.085 -4.328 1.00 10.00 H new ATOM 0 HE3 MET A 20 13.715 -4.471 -3.838 1.00 10.00 H new ATOM 299 N GLY A 21 11.376 -3.111 -9.502 1.00 10.00 N ATOM 300 CA GLY A 21 10.167 -3.051 -10.292 1.00 10.00 C ATOM 301 C GLY A 21 8.964 -2.696 -9.456 1.00 10.00 C ATOM 302 O GLY A 21 7.887 -3.269 -9.628 1.00 10.00 O ATOM 0 H GLY A 21 11.850 -2.216 -9.380 1.00 10.00 H new ATOM 0 HA2 GLY A 21 10.288 -2.313 -11.085 1.00 10.00 H new ATOM 0 HA3 GLY A 21 10.001 -4.014 -10.775 1.00 10.00 H new ATOM 306 N PHE A 22 9.150 -1.781 -8.521 1.00 10.00 N ATOM 307 CA PHE A 22 8.062 -1.339 -7.675 1.00 10.00 C ATOM 308 C PHE A 22 8.121 0.165 -7.528 1.00 10.00 C ATOM 309 O PHE A 22 9.135 0.719 -7.098 1.00 10.00 O ATOM 310 CB PHE A 22 8.123 -2.002 -6.300 1.00 10.00 C ATOM 311 CG PHE A 22 6.782 -2.116 -5.631 1.00 10.00 C ATOM 312 CD1 PHE A 22 5.768 -2.873 -6.204 1.00 10.00 C ATOM 313 CD2 PHE A 22 6.535 -1.473 -4.433 1.00 10.00 C ATOM 314 CE1 PHE A 22 4.535 -2.986 -5.587 1.00 10.00 C ATOM 315 CE2 PHE A 22 5.305 -1.582 -3.814 1.00 10.00 C ATOM 316 CZ PHE A 22 4.303 -2.339 -4.388 1.00 10.00 C ATOM 0 H PHE A 22 10.045 -1.331 -8.330 1.00 10.00 H new ATOM 0 HA PHE A 22 7.121 -1.628 -8.143 1.00 10.00 H new ATOM 0 HB2 PHE A 22 8.554 -2.998 -6.404 1.00 10.00 H new ATOM 0 HB3 PHE A 22 8.793 -1.430 -5.659 1.00 10.00 H new ATOM 0 HD1 PHE A 22 5.944 -3.379 -7.142 1.00 10.00 H new ATOM 0 HD2 PHE A 22 7.312 -0.879 -3.976 1.00 10.00 H new ATOM 0 HE1 PHE A 22 3.755 -3.579 -6.042 1.00 10.00 H new ATOM 0 HE2 PHE A 22 5.126 -1.074 -2.878 1.00 10.00 H new ATOM 0 HZ PHE A 22 3.342 -2.425 -3.902 1.00 10.00 H new ATOM 326 N SER A 23 7.034 0.811 -7.892 1.00 10.00 N ATOM 327 CA SER A 23 6.927 2.252 -7.816 1.00 10.00 C ATOM 328 C SER A 23 5.483 2.629 -7.515 1.00 10.00 C ATOM 329 O SER A 23 4.596 1.773 -7.541 1.00 10.00 O ATOM 330 CB SER A 23 7.384 2.893 -9.136 1.00 10.00 C ATOM 331 OG SER A 23 8.586 2.307 -9.613 1.00 10.00 O ATOM 0 H SER A 23 6.197 0.350 -8.250 1.00 10.00 H new ATOM 0 HA SER A 23 7.572 2.622 -7.019 1.00 10.00 H new ATOM 0 HB2 SER A 23 6.601 2.780 -9.886 1.00 10.00 H new ATOM 0 HB3 SER A 23 7.533 3.963 -8.989 1.00 10.00 H new ATOM 0 HG SER A 23 8.848 2.736 -10.454 1.00 10.00 H new ATOM 337 N ASP A 24 5.239 3.894 -7.228 1.00 10.00 N ATOM 338 CA ASP A 24 3.891 4.343 -6.934 1.00 10.00 C ATOM 339 C ASP A 24 3.408 5.314 -7.999 1.00 10.00 C ATOM 340 O ASP A 24 4.200 5.904 -8.734 1.00 10.00 O ATOM 341 CB ASP A 24 3.790 4.973 -5.536 1.00 10.00 C ATOM 342 CG ASP A 24 4.806 6.074 -5.263 1.00 10.00 C ATOM 343 OD1 ASP A 24 5.576 6.441 -6.174 1.00 10.00 O ATOM 344 OD2 ASP A 24 4.824 6.581 -4.124 1.00 10.00 O ATOM 0 H ASP A 24 5.951 4.624 -7.192 1.00 10.00 H new ATOM 0 HA ASP A 24 3.244 3.466 -6.942 1.00 10.00 H new ATOM 0 HB2 ASP A 24 2.788 5.381 -5.407 1.00 10.00 H new ATOM 0 HB3 ASP A 24 3.913 4.189 -4.789 1.00 10.00 H new ATOM 349 N GLU A 25 2.104 5.460 -8.088 1.00 10.00 N ATOM 350 CA GLU A 25 1.482 6.348 -9.059 1.00 10.00 C ATOM 351 C GLU A 25 0.881 7.548 -8.343 1.00 10.00 C ATOM 352 O GLU A 25 1.069 8.689 -8.753 1.00 10.00 O ATOM 353 CB GLU A 25 0.391 5.607 -9.850 1.00 10.00 C ATOM 354 CG GLU A 25 0.173 4.156 -9.424 1.00 10.00 C ATOM 355 CD GLU A 25 -0.579 4.020 -8.108 1.00 10.00 C ATOM 356 OE1 GLU A 25 -0.116 4.572 -7.089 1.00 10.00 O ATOM 357 OE2 GLU A 25 -1.631 3.357 -8.089 1.00 10.00 O ATOM 0 H GLU A 25 1.440 4.968 -7.490 1.00 10.00 H new ATOM 0 HA GLU A 25 2.244 6.689 -9.760 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.549 6.149 -9.743 1.00 10.00 H new ATOM 0 HB3 GLU A 25 0.651 5.626 -10.908 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -0.380 3.635 -10.206 1.00 10.00 H new ATOM 0 HG3 GLU A 25 1.140 3.662 -9.334 1.00 10.00 H new ATOM 364 N GLY A 26 0.156 7.268 -7.269 1.00 10.00 N ATOM 365 CA GLY A 26 -0.461 8.321 -6.492 1.00 10.00 C ATOM 366 C GLY A 26 0.452 8.819 -5.391 1.00 10.00 C ATOM 367 O GLY A 26 0.067 9.674 -4.595 1.00 10.00 O ATOM 0 H GLY A 26 -0.016 6.325 -6.921 1.00 10.00 H new ATOM 0 HA2 GLY A 26 -0.724 9.150 -7.149 1.00 10.00 H new ATOM 0 HA3 GLY A 26 -1.390 7.954 -6.055 1.00 10.00 H new ATOM 371 N GLY A 27 1.661 8.277 -5.345 1.00 10.00 N ATOM 372 CA GLY A 27 2.624 8.683 -4.341 1.00 10.00 C ATOM 373 C GLY A 27 2.317 8.108 -2.974 1.00 10.00 C ATOM 374 O GLY A 27 2.407 8.806 -1.964 1.00 10.00 O ATOM 0 H GLY A 27 1.993 7.559 -5.989 1.00 10.00 H new ATOM 0 HA2 GLY A 27 3.620 8.366 -4.649 1.00 10.00 H new ATOM 0 HA3 GLY A 27 2.641 9.771 -4.278 1.00 10.00 H new ATOM 378 N TRP A 28 1.948 6.834 -2.933 1.00 10.00 N ATOM 379 CA TRP A 28 1.630 6.183 -1.673 1.00 10.00 C ATOM 380 C TRP A 28 2.842 5.424 -1.127 1.00 10.00 C ATOM 381 O TRP A 28 3.005 5.286 0.084 1.00 10.00 O ATOM 382 CB TRP A 28 0.417 5.253 -1.833 1.00 10.00 C ATOM 383 CG TRP A 28 0.608 4.116 -2.792 1.00 10.00 C ATOM 384 CD1 TRP A 28 0.303 4.112 -4.120 1.00 10.00 C ATOM 385 CD2 TRP A 28 1.119 2.810 -2.495 1.00 10.00 C ATOM 386 NE1 TRP A 28 0.600 2.890 -4.670 1.00 10.00 N ATOM 387 CE2 TRP A 28 1.100 2.071 -3.693 1.00 10.00 C ATOM 388 CE3 TRP A 28 1.596 2.196 -1.335 1.00 10.00 C ATOM 389 CZ2 TRP A 28 1.535 0.748 -3.758 1.00 10.00 C ATOM 390 CZ3 TRP A 28 2.025 0.886 -1.400 1.00 10.00 C ATOM 391 CH2 TRP A 28 1.991 0.173 -2.604 1.00 10.00 C ATOM 0 H TRP A 28 1.862 6.235 -3.754 1.00 10.00 H new ATOM 0 HA TRP A 28 1.369 6.954 -0.948 1.00 10.00 H new ATOM 0 HB2 TRP A 28 0.161 4.844 -0.856 1.00 10.00 H new ATOM 0 HB3 TRP A 28 -0.435 5.847 -2.163 1.00 10.00 H new ATOM 0 HD1 TRP A 28 -0.112 4.949 -4.661 1.00 10.00 H new ATOM 0 HE1 TRP A 28 0.469 2.633 -5.649 1.00 10.00 H new ATOM 0 HE3 TRP A 28 1.629 2.738 -0.401 1.00 10.00 H new ATOM 0 HZ2 TRP A 28 1.513 0.197 -4.687 1.00 10.00 H new ATOM 0 HZ3 TRP A 28 2.393 0.403 -0.507 1.00 10.00 H new ATOM 0 HH2 TRP A 28 2.332 -0.852 -2.622 1.00 10.00 H new ATOM 402 N LEU A 29 3.713 4.968 -2.023 1.00 10.00 N ATOM 403 CA LEU A 29 4.902 4.227 -1.621 1.00 10.00 C ATOM 404 C LEU A 29 5.914 5.167 -0.987 1.00 10.00 C ATOM 405 O LEU A 29 6.601 4.808 -0.028 1.00 10.00 O ATOM 406 CB LEU A 29 5.527 3.509 -2.823 1.00 10.00 C ATOM 407 CG LEU A 29 6.723 2.610 -2.501 1.00 10.00 C ATOM 408 CD1 LEU A 29 6.287 1.419 -1.664 1.00 10.00 C ATOM 409 CD2 LEU A 29 7.398 2.143 -3.780 1.00 10.00 C ATOM 0 H LEU A 29 3.617 5.099 -3.030 1.00 10.00 H new ATOM 0 HA LEU A 29 4.608 3.476 -0.888 1.00 10.00 H new ATOM 0 HB2 LEU A 29 4.758 2.904 -3.303 1.00 10.00 H new ATOM 0 HB3 LEU A 29 5.842 4.259 -3.549 1.00 10.00 H new ATOM 0 HG LEU A 29 7.442 3.190 -1.923 1.00 10.00 H new ATOM 0 HD11 LEU A 29 7.151 0.792 -1.446 1.00 10.00 H new ATOM 0 HD12 LEU A 29 5.849 1.771 -0.730 1.00 10.00 H new ATOM 0 HD13 LEU A 29 5.547 0.838 -2.215 1.00 10.00 H new ATOM 0 HD21 LEU A 29 8.246 1.505 -3.532 1.00 10.00 H new ATOM 0 HD22 LEU A 29 6.685 1.581 -4.383 1.00 10.00 H new ATOM 0 HD23 LEU A 29 7.747 3.008 -4.344 1.00 10.00 H new ATOM 421 N THR A 30 5.993 6.381 -1.519 1.00 10.00 N ATOM 422 CA THR A 30 6.907 7.388 -0.998 1.00 10.00 C ATOM 423 C THR A 30 6.542 7.743 0.448 1.00 10.00 C ATOM 424 O THR A 30 7.384 8.197 1.219 1.00 10.00 O ATOM 425 CB THR A 30 6.900 8.658 -1.884 1.00 10.00 C ATOM 426 OG1 THR A 30 8.017 9.502 -1.568 1.00 10.00 O ATOM 427 CG2 THR A 30 5.611 9.449 -1.716 1.00 10.00 C ATOM 0 H THR A 30 5.433 6.692 -2.313 1.00 10.00 H new ATOM 0 HA THR A 30 7.914 6.971 -1.013 1.00 10.00 H new ATOM 0 HB THR A 30 6.974 8.328 -2.920 1.00 10.00 H new ATOM 0 HG1 THR A 30 7.997 10.298 -2.139 1.00 10.00 H new ATOM 0 HG21 THR A 30 5.641 10.333 -2.353 1.00 10.00 H new ATOM 0 HG22 THR A 30 4.762 8.826 -2.000 1.00 10.00 H new ATOM 0 HG23 THR A 30 5.505 9.755 -0.675 1.00 10.00 H new ATOM 435 N ARG A 31 5.279 7.516 0.808 1.00 10.00 N ATOM 436 CA ARG A 31 4.799 7.796 2.155 1.00 10.00 C ATOM 437 C ARG A 31 4.973 6.565 3.031 1.00 10.00 C ATOM 438 O ARG A 31 5.186 6.672 4.238 1.00 10.00 O ATOM 439 CB ARG A 31 3.325 8.209 2.121 1.00 10.00 C ATOM 440 CG ARG A 31 3.073 9.539 1.426 1.00 10.00 C ATOM 441 CD ARG A 31 3.429 10.721 2.317 1.00 10.00 C ATOM 442 NE ARG A 31 2.462 10.907 3.401 1.00 10.00 N ATOM 443 CZ ARG A 31 2.494 11.918 4.271 1.00 10.00 C ATOM 444 NH1 ARG A 31 3.450 12.837 4.194 1.00 10.00 N ATOM 445 NH2 ARG A 31 1.570 12.001 5.221 1.00 10.00 N ATOM 0 H ARG A 31 4.570 7.137 0.180 1.00 10.00 H new ATOM 0 HA ARG A 31 5.382 8.618 2.571 1.00 10.00 H new ATOM 0 HB2 ARG A 31 2.752 7.432 1.616 1.00 10.00 H new ATOM 0 HB3 ARG A 31 2.951 8.268 3.143 1.00 10.00 H new ATOM 0 HG2 ARG A 31 3.660 9.586 0.509 1.00 10.00 H new ATOM 0 HG3 ARG A 31 2.024 9.605 1.137 1.00 10.00 H new ATOM 0 HD2 ARG A 31 4.422 10.569 2.740 1.00 10.00 H new ATOM 0 HD3 ARG A 31 3.475 11.628 1.714 1.00 10.00 H new ATOM 0 HE ARG A 31 1.715 10.219 3.497 1.00 10.00 H new ATOM 0 HH11 ARG A 31 4.163 12.771 3.468 1.00 10.00 H new ATOM 0 HH12 ARG A 31 3.471 13.608 4.861 1.00 10.00 H new ATOM 0 HH21 ARG A 31 0.838 11.293 5.284 1.00 10.00 H new ATOM 0 HH22 ARG A 31 1.592 12.773 5.888 1.00 10.00 H new ATOM 459 N LEU A 32 4.891 5.398 2.405 1.00 10.00 N ATOM 460 CA LEU A 32 5.035 4.128 3.105 1.00 10.00 C ATOM 461 C LEU A 32 6.426 4.001 3.715 1.00 10.00 C ATOM 462 O LEU A 32 6.575 3.605 4.867 1.00 10.00 O ATOM 463 CB LEU A 32 4.785 2.968 2.140 1.00 10.00 C ATOM 464 CG LEU A 32 4.601 1.600 2.800 1.00 10.00 C ATOM 465 CD1 LEU A 32 3.130 1.334 3.072 1.00 10.00 C ATOM 466 CD2 LEU A 32 5.196 0.500 1.932 1.00 10.00 C ATOM 0 H LEU A 32 4.724 5.305 1.403 1.00 10.00 H new ATOM 0 HA LEU A 32 4.300 4.094 3.909 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.896 3.192 1.551 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.622 2.908 1.444 1.00 10.00 H new ATOM 0 HG LEU A 32 5.130 1.604 3.753 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.018 0.357 3.542 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.738 2.103 3.737 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.577 1.351 2.133 1.00 10.00 H new ATOM 0 HD21 LEU A 32 5.055 -0.465 2.419 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.699 0.493 0.962 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.261 0.683 1.792 1.00 10.00 H new ATOM 478 N LEU A 33 7.436 4.378 2.943 1.00 10.00 N ATOM 479 CA LEU A 33 8.829 4.307 3.388 1.00 10.00 C ATOM 480 C LEU A 33 9.109 5.281 4.530 1.00 10.00 C ATOM 481 O LEU A 33 10.188 5.273 5.118 1.00 10.00 O ATOM 482 CB LEU A 33 9.768 4.608 2.221 1.00 10.00 C ATOM 483 CG LEU A 33 9.712 3.614 1.061 1.00 10.00 C ATOM 484 CD1 LEU A 33 10.473 4.169 -0.131 1.00 10.00 C ATOM 485 CD2 LEU A 33 10.278 2.264 1.480 1.00 10.00 C ATOM 0 H LEU A 33 7.319 4.740 1.997 1.00 10.00 H new ATOM 0 HA LEU A 33 9.005 3.296 3.754 1.00 10.00 H new ATOM 0 HB2 LEU A 33 9.536 5.602 1.837 1.00 10.00 H new ATOM 0 HB3 LEU A 33 10.790 4.642 2.599 1.00 10.00 H new ATOM 0 HG LEU A 33 8.671 3.466 0.775 1.00 10.00 H new ATOM 0 HD11 LEU A 33 10.429 3.456 -0.954 1.00 10.00 H new ATOM 0 HD12 LEU A 33 10.023 5.112 -0.443 1.00 10.00 H new ATOM 0 HD13 LEU A 33 11.513 4.338 0.148 1.00 10.00 H new ATOM 0 HD21 LEU A 33 10.228 1.572 0.639 1.00 10.00 H new ATOM 0 HD22 LEU A 33 11.316 2.385 1.790 1.00 10.00 H new ATOM 0 HD23 LEU A 33 9.695 1.867 2.311 1.00 10.00 H new ATOM 497 N GLN A 34 8.139 6.127 4.837 1.00 10.00 N ATOM 498 CA GLN A 34 8.301 7.106 5.897 1.00 10.00 C ATOM 499 C GLN A 34 7.782 6.572 7.228 1.00 10.00 C ATOM 500 O GLN A 34 8.399 6.788 8.268 1.00 10.00 O ATOM 501 CB GLN A 34 7.585 8.405 5.533 1.00 10.00 C ATOM 502 CG GLN A 34 8.108 9.049 4.259 1.00 10.00 C ATOM 503 CD GLN A 34 9.604 9.276 4.291 1.00 10.00 C ATOM 504 OE1 GLN A 34 10.176 9.595 5.335 1.00 10.00 O ATOM 505 NE2 GLN A 34 10.244 9.113 3.145 1.00 10.00 N ATOM 0 H GLN A 34 7.234 6.155 4.368 1.00 10.00 H new ATOM 0 HA GLN A 34 9.367 7.307 6.008 1.00 10.00 H new ATOM 0 HB2 GLN A 34 6.520 8.204 5.418 1.00 10.00 H new ATOM 0 HB3 GLN A 34 7.689 9.111 6.357 1.00 10.00 H new ATOM 0 HG2 GLN A 34 7.859 8.415 3.408 1.00 10.00 H new ATOM 0 HG3 GLN A 34 7.603 10.003 4.105 1.00 10.00 H new ATOM 0 HE21 GLN A 34 9.728 8.848 2.306 1.00 10.00 H new ATOM 0 HE22 GLN A 34 11.254 9.252 3.100 1.00 10.00 H new ATOM 514 N THR A 35 6.650 5.875 7.204 1.00 10.00 N ATOM 515 CA THR A 35 6.080 5.338 8.432 1.00 10.00 C ATOM 516 C THR A 35 6.431 3.866 8.628 1.00 10.00 C ATOM 517 O THR A 35 6.082 3.260 9.643 1.00 10.00 O ATOM 518 CB THR A 35 4.550 5.514 8.469 1.00 10.00 C ATOM 519 OG1 THR A 35 3.972 5.145 7.212 1.00 10.00 O ATOM 520 CG2 THR A 35 4.185 6.952 8.797 1.00 10.00 C ATOM 0 H THR A 35 6.116 5.671 6.359 1.00 10.00 H new ATOM 0 HA THR A 35 6.520 5.908 9.250 1.00 10.00 H new ATOM 0 HB THR A 35 4.154 4.862 9.247 1.00 10.00 H new ATOM 0 HG1 THR A 35 3.012 4.986 7.327 1.00 10.00 H new ATOM 0 HG21 THR A 35 3.100 7.056 8.818 1.00 10.00 H new ATOM 0 HG22 THR A 35 4.594 7.218 9.771 1.00 10.00 H new ATOM 0 HG23 THR A 35 4.598 7.615 8.037 1.00 10.00 H new ATOM 528 N LYS A 36 7.096 3.282 7.644 1.00 10.00 N ATOM 529 CA LYS A 36 7.507 1.884 7.729 1.00 10.00 C ATOM 530 C LYS A 36 9.017 1.772 7.557 1.00 10.00 C ATOM 531 O LYS A 36 9.567 0.670 7.504 1.00 10.00 O ATOM 532 CB LYS A 36 6.784 1.027 6.681 1.00 10.00 C ATOM 533 CG LYS A 36 5.351 0.674 7.065 1.00 10.00 C ATOM 534 CD LYS A 36 4.386 1.799 6.723 1.00 10.00 C ATOM 535 CE LYS A 36 3.158 1.773 7.617 1.00 10.00 C ATOM 536 NZ LYS A 36 3.492 2.082 9.032 1.00 10.00 N ATOM 0 H LYS A 36 7.364 3.750 6.778 1.00 10.00 H new ATOM 0 HA LYS A 36 7.232 1.508 8.714 1.00 10.00 H new ATOM 0 HB2 LYS A 36 6.776 1.560 5.730 1.00 10.00 H new ATOM 0 HB3 LYS A 36 7.347 0.107 6.525 1.00 10.00 H new ATOM 0 HG2 LYS A 36 5.048 -0.236 6.546 1.00 10.00 H new ATOM 0 HG3 LYS A 36 5.301 0.464 8.133 1.00 10.00 H new ATOM 0 HD2 LYS A 36 4.893 2.758 6.828 1.00 10.00 H new ATOM 0 HD3 LYS A 36 4.080 1.712 5.680 1.00 10.00 H new ATOM 0 HE2 LYS A 36 2.428 2.495 7.251 1.00 10.00 H new ATOM 0 HE3 LYS A 36 2.690 0.790 7.561 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 3.434 1.213 9.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 4.457 2.467 9.085 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 2.819 2.783 9.402 1.00 10.00 H new ATOM 550 N ASN A 37 9.669 2.936 7.495 1.00 10.00 N ATOM 551 CA ASN A 37 11.123 3.039 7.327 1.00 10.00 C ATOM 552 C ASN A 37 11.552 2.596 5.926 1.00 10.00 C ATOM 553 O ASN A 37 10.762 2.041 5.162 1.00 10.00 O ATOM 554 CB ASN A 37 11.867 2.216 8.393 1.00 10.00 C ATOM 555 CG ASN A 37 13.239 2.779 8.730 1.00 10.00 C ATOM 556 OD1 ASN A 37 13.806 3.574 7.982 1.00 10.00 O ATOM 557 ND2 ASN A 37 13.788 2.361 9.858 1.00 10.00 N ATOM 0 H ASN A 37 9.201 3.840 7.560 1.00 10.00 H new ATOM 0 HA ASN A 37 11.389 4.088 7.454 1.00 10.00 H new ATOM 0 HB2 ASN A 37 11.264 2.177 9.300 1.00 10.00 H new ATOM 0 HB3 ASN A 37 11.978 1.191 8.040 1.00 10.00 H new ATOM 0 HD21 ASN A 37 14.711 2.699 10.132 1.00 10.00 H new ATOM 0 HD22 ASN A 37 13.289 1.701 10.454 1.00 10.00 H new ATOM 564 N TYR A 38 12.810 2.854 5.591 1.00 10.00 N ATOM 565 CA TYR A 38 13.360 2.489 4.292 1.00 10.00 C ATOM 566 C TYR A 38 13.867 1.049 4.325 1.00 10.00 C ATOM 567 O TYR A 38 14.933 0.740 3.791 1.00 10.00 O ATOM 568 CB TYR A 38 14.505 3.440 3.911 1.00 10.00 C ATOM 569 CG TYR A 38 14.095 4.893 3.776 1.00 10.00 C ATOM 570 CD1 TYR A 38 14.079 5.740 4.878 1.00 10.00 C ATOM 571 CD2 TYR A 38 13.739 5.421 2.539 1.00 10.00 C ATOM 572 CE1 TYR A 38 13.718 7.068 4.755 1.00 10.00 C ATOM 573 CE2 TYR A 38 13.378 6.748 2.409 1.00 10.00 C ATOM 574 CZ TYR A 38 13.370 7.566 3.519 1.00 10.00 C ATOM 575 OH TYR A 38 13.018 8.893 3.394 1.00 10.00 O ATOM 0 H TYR A 38 13.475 3.320 6.209 1.00 10.00 H new ATOM 0 HA TYR A 38 12.572 2.572 3.543 1.00 10.00 H new ATOM 0 HB2 TYR A 38 15.289 3.365 4.665 1.00 10.00 H new ATOM 0 HB3 TYR A 38 14.937 3.108 2.967 1.00 10.00 H new ATOM 0 HD1 TYR A 38 14.354 5.353 5.848 1.00 10.00 H new ATOM 0 HD2 TYR A 38 13.745 4.784 1.667 1.00 10.00 H new ATOM 0 HE1 TYR A 38 13.709 7.711 5.622 1.00 10.00 H new ATOM 0 HE2 TYR A 38 13.103 7.143 1.442 1.00 10.00 H new ATOM 0 HH TYR A 38 13.034 9.148 2.448 1.00 10.00 H new ATOM 585 N ASP A 39 13.099 0.169 4.955 1.00 10.00 N ATOM 586 CA ASP A 39 13.484 -1.226 5.060 1.00 10.00 C ATOM 587 C ASP A 39 12.881 -2.038 3.923 1.00 10.00 C ATOM 588 O ASP A 39 11.664 -2.214 3.840 1.00 10.00 O ATOM 589 CB ASP A 39 13.063 -1.809 6.407 1.00 10.00 C ATOM 590 CG ASP A 39 13.745 -3.128 6.688 1.00 10.00 C ATOM 591 OD1 ASP A 39 13.193 -4.183 6.312 1.00 10.00 O ATOM 592 OD2 ASP A 39 14.846 -3.118 7.271 1.00 10.00 O ATOM 0 H ASP A 39 12.210 0.399 5.398 1.00 10.00 H new ATOM 0 HA ASP A 39 14.570 -1.279 4.987 1.00 10.00 H new ATOM 0 HB2 ASP A 39 13.302 -1.100 7.200 1.00 10.00 H new ATOM 0 HB3 ASP A 39 11.982 -1.949 6.420 1.00 10.00 H new ATOM 597 N ILE A 40 13.747 -2.516 3.044 1.00 10.00 N ATOM 598 CA ILE A 40 13.336 -3.299 1.888 1.00 10.00 C ATOM 599 C ILE A 40 12.636 -4.593 2.304 1.00 10.00 C ATOM 600 O ILE A 40 11.549 -4.910 1.811 1.00 10.00 O ATOM 601 CB ILE A 40 14.555 -3.648 1.008 1.00 10.00 C ATOM 602 CG1 ILE A 40 15.375 -2.388 0.708 1.00 10.00 C ATOM 603 CG2 ILE A 40 14.111 -4.313 -0.287 1.00 10.00 C ATOM 604 CD1 ILE A 40 16.856 -2.650 0.544 1.00 10.00 C ATOM 0 H ILE A 40 14.755 -2.373 3.111 1.00 10.00 H new ATOM 0 HA ILE A 40 12.634 -2.688 1.321 1.00 10.00 H new ATOM 0 HB ILE A 40 15.183 -4.350 1.556 1.00 10.00 H new ATOM 0 HG12 ILE A 40 14.994 -1.926 -0.203 1.00 10.00 H new ATOM 0 HG13 ILE A 40 15.229 -1.670 1.515 1.00 10.00 H new ATOM 0 HG21 ILE A 40 14.986 -4.551 -0.892 1.00 10.00 H new ATOM 0 HG22 ILE A 40 13.568 -5.230 -0.058 1.00 10.00 H new ATOM 0 HG23 ILE A 40 13.461 -3.635 -0.840 1.00 10.00 H new ATOM 0 HD11 ILE A 40 17.370 -1.712 0.334 1.00 10.00 H new ATOM 0 HD12 ILE A 40 17.253 -3.084 1.462 1.00 10.00 H new ATOM 0 HD13 ILE A 40 17.014 -3.343 -0.282 1.00 10.00 H new ATOM 616 N GLY A 41 13.261 -5.325 3.221 1.00 10.00 N ATOM 617 CA GLY A 41 12.708 -6.585 3.689 1.00 10.00 C ATOM 618 C GLY A 41 11.306 -6.444 4.248 1.00 10.00 C ATOM 619 O GLY A 41 10.410 -7.220 3.903 1.00 10.00 O ATOM 0 H GLY A 41 14.148 -5.066 3.652 1.00 10.00 H new ATOM 0 HA2 GLY A 41 12.695 -7.298 2.865 1.00 10.00 H new ATOM 0 HA3 GLY A 41 13.360 -6.999 4.458 1.00 10.00 H new ATOM 623 N ALA A 42 11.116 -5.452 5.109 1.00 10.00 N ATOM 624 CA ALA A 42 9.819 -5.203 5.726 1.00 10.00 C ATOM 625 C ALA A 42 8.758 -4.865 4.682 1.00 10.00 C ATOM 626 O ALA A 42 7.648 -5.398 4.718 1.00 10.00 O ATOM 627 CB ALA A 42 9.923 -4.076 6.746 1.00 10.00 C ATOM 0 H ALA A 42 11.848 -4.803 5.397 1.00 10.00 H new ATOM 0 HA ALA A 42 9.514 -6.119 6.233 1.00 10.00 H new ATOM 0 HB1 ALA A 42 8.946 -3.903 7.197 1.00 10.00 H new ATOM 0 HB2 ALA A 42 10.637 -4.352 7.522 1.00 10.00 H new ATOM 0 HB3 ALA A 42 10.260 -3.166 6.250 1.00 10.00 H new ATOM 633 N ALA A 43 9.109 -3.988 3.748 1.00 10.00 N ATOM 634 CA ALA A 43 8.186 -3.563 2.699 1.00 10.00 C ATOM 635 C ALA A 43 7.662 -4.749 1.889 1.00 10.00 C ATOM 636 O ALA A 43 6.468 -4.839 1.606 1.00 10.00 O ATOM 637 CB ALA A 43 8.864 -2.557 1.780 1.00 10.00 C ATOM 0 H ALA A 43 10.031 -3.555 3.695 1.00 10.00 H new ATOM 0 HA ALA A 43 7.331 -3.091 3.182 1.00 10.00 H new ATOM 0 HB1 ALA A 43 8.166 -2.247 1.002 1.00 10.00 H new ATOM 0 HB2 ALA A 43 9.173 -1.686 2.358 1.00 10.00 H new ATOM 0 HB3 ALA A 43 9.739 -3.016 1.321 1.00 10.00 H new ATOM 643 N LEU A 44 8.557 -5.661 1.531 1.00 10.00 N ATOM 644 CA LEU A 44 8.186 -6.838 0.749 1.00 10.00 C ATOM 645 C LEU A 44 7.201 -7.725 1.509 1.00 10.00 C ATOM 646 O LEU A 44 6.293 -8.310 0.916 1.00 10.00 O ATOM 647 CB LEU A 44 9.433 -7.646 0.381 1.00 10.00 C ATOM 648 CG LEU A 44 9.987 -7.392 -1.023 1.00 10.00 C ATOM 649 CD1 LEU A 44 10.513 -5.970 -1.146 1.00 10.00 C ATOM 650 CD2 LEU A 44 11.086 -8.397 -1.351 1.00 10.00 C ATOM 0 H LEU A 44 9.547 -5.610 1.769 1.00 10.00 H new ATOM 0 HA LEU A 44 7.699 -6.490 -0.162 1.00 10.00 H new ATOM 0 HB2 LEU A 44 10.215 -7.426 1.107 1.00 10.00 H new ATOM 0 HB3 LEU A 44 9.199 -8.706 0.475 1.00 10.00 H new ATOM 0 HG LEU A 44 9.175 -7.519 -1.739 1.00 10.00 H new ATOM 0 HD11 LEU A 44 10.902 -5.812 -2.152 1.00 10.00 H new ATOM 0 HD12 LEU A 44 9.704 -5.265 -0.955 1.00 10.00 H new ATOM 0 HD13 LEU A 44 11.311 -5.813 -0.420 1.00 10.00 H new ATOM 0 HD21 LEU A 44 11.469 -8.203 -2.353 1.00 10.00 H new ATOM 0 HD22 LEU A 44 11.895 -8.300 -0.627 1.00 10.00 H new ATOM 0 HD23 LEU A 44 10.680 -9.408 -1.308 1.00 10.00 H new ATOM 662 N ASP A 45 7.378 -7.808 2.821 1.00 10.00 N ATOM 663 CA ASP A 45 6.520 -8.627 3.675 1.00 10.00 C ATOM 664 C ASP A 45 5.172 -7.956 3.906 1.00 10.00 C ATOM 665 O ASP A 45 4.166 -8.626 4.158 1.00 10.00 O ATOM 666 CB ASP A 45 7.225 -8.886 5.011 1.00 10.00 C ATOM 667 CG ASP A 45 6.387 -9.682 5.990 1.00 10.00 C ATOM 668 OD1 ASP A 45 6.212 -10.905 5.784 1.00 10.00 O ATOM 669 OD2 ASP A 45 5.924 -9.102 6.991 1.00 10.00 O ATOM 0 H ASP A 45 8.115 -7.314 3.323 1.00 10.00 H new ATOM 0 HA ASP A 45 6.335 -9.577 3.174 1.00 10.00 H new ATOM 0 HB2 ASP A 45 8.157 -9.420 4.824 1.00 10.00 H new ATOM 0 HB3 ASP A 45 7.490 -7.931 5.464 1.00 10.00 H new ATOM 674 N THR A 46 5.147 -6.637 3.778 1.00 10.00 N ATOM 675 CA THR A 46 3.928 -5.865 3.979 1.00 10.00 C ATOM 676 C THR A 46 2.881 -6.179 2.907 1.00 10.00 C ATOM 677 O THR A 46 1.682 -6.145 3.173 1.00 10.00 O ATOM 678 CB THR A 46 4.231 -4.351 3.982 1.00 10.00 C ATOM 679 OG1 THR A 46 5.286 -4.069 4.910 1.00 10.00 O ATOM 680 CG2 THR A 46 2.999 -3.536 4.354 1.00 10.00 C ATOM 0 H THR A 46 5.963 -6.076 3.534 1.00 10.00 H new ATOM 0 HA THR A 46 3.523 -6.150 4.950 1.00 10.00 H new ATOM 0 HB THR A 46 4.536 -4.069 2.974 1.00 10.00 H new ATOM 0 HG1 THR A 46 6.110 -4.508 4.612 1.00 10.00 H new ATOM 0 HG21 THR A 46 3.249 -2.475 4.346 1.00 10.00 H new ATOM 0 HG22 THR A 46 2.205 -3.727 3.632 1.00 10.00 H new ATOM 0 HG23 THR A 46 2.661 -3.822 5.350 1.00 10.00 H new ATOM 688 N ILE A 47 3.335 -6.508 1.704 1.00 10.00 N ATOM 689 CA ILE A 47 2.415 -6.811 0.613 1.00 10.00 C ATOM 690 C ILE A 47 2.338 -8.311 0.342 1.00 10.00 C ATOM 691 O ILE A 47 1.676 -8.735 -0.605 1.00 10.00 O ATOM 692 CB ILE A 47 2.813 -6.082 -0.692 1.00 10.00 C ATOM 693 CG1 ILE A 47 4.214 -6.507 -1.141 1.00 10.00 C ATOM 694 CG2 ILE A 47 2.751 -4.573 -0.495 1.00 10.00 C ATOM 695 CD1 ILE A 47 4.558 -6.075 -2.551 1.00 10.00 C ATOM 0 H ILE A 47 4.323 -6.572 1.460 1.00 10.00 H new ATOM 0 HA ILE A 47 1.435 -6.456 0.933 1.00 10.00 H new ATOM 0 HB ILE A 47 2.105 -6.360 -1.473 1.00 10.00 H new ATOM 0 HG12 ILE A 47 4.949 -6.089 -0.453 1.00 10.00 H new ATOM 0 HG13 ILE A 47 4.294 -7.592 -1.073 1.00 10.00 H new ATOM 0 HG21 ILE A 47 3.034 -4.073 -1.422 1.00 10.00 H new ATOM 0 HG22 ILE A 47 1.737 -4.283 -0.221 1.00 10.00 H new ATOM 0 HG23 ILE A 47 3.438 -4.281 0.299 1.00 10.00 H new ATOM 0 HD11 ILE A 47 5.565 -6.411 -2.799 1.00 10.00 H new ATOM 0 HD12 ILE A 47 3.846 -6.514 -3.250 1.00 10.00 H new ATOM 0 HD13 ILE A 47 4.511 -4.988 -2.620 1.00 10.00 H new ATOM 707 N GLN A 48 3.027 -9.099 1.172 1.00 10.00 N ATOM 708 CA GLN A 48 3.062 -10.568 1.050 1.00 10.00 C ATOM 709 C GLN A 48 3.886 -11.035 -0.151 1.00 10.00 C ATOM 710 O GLN A 48 4.649 -11.996 -0.045 1.00 10.00 O ATOM 711 CB GLN A 48 1.652 -11.161 0.972 1.00 10.00 C ATOM 712 CG GLN A 48 1.022 -11.410 2.330 1.00 10.00 C ATOM 713 CD GLN A 48 1.774 -12.436 3.154 1.00 10.00 C ATOM 714 OE1 GLN A 48 2.700 -11.973 3.982 1.00 10.00 O flip ATOM 715 NE2 GLN A 48 1.517 -13.636 3.057 1.00 10.00 N flip ATOM 0 H GLN A 48 3.579 -8.740 1.951 1.00 10.00 H new ATOM 0 HA GLN A 48 3.549 -10.933 1.954 1.00 10.00 H new ATOM 0 HB2 GLN A 48 1.014 -10.485 0.403 1.00 10.00 H new ATOM 0 HB3 GLN A 48 1.692 -12.101 0.421 1.00 10.00 H new ATOM 0 HG2 GLN A 48 0.978 -10.471 2.882 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -0.006 -11.746 2.191 1.00 10.00 H new ATOM 0 HE21 GLN A 48 0.797 -13.952 2.408 1.00 10.00 H new ATOM 0 HE22 GLN A 48 2.024 -14.314 3.626 1.00 10.00 H new ATOM 724 N TYR A 49 3.712 -10.375 -1.291 1.00 10.00 N ATOM 725 CA TYR A 49 4.445 -10.720 -2.503 1.00 10.00 C ATOM 726 C TYR A 49 5.923 -10.370 -2.352 1.00 10.00 C ATOM 727 O TYR A 49 6.339 -9.253 -2.652 1.00 10.00 O ATOM 728 CB TYR A 49 3.865 -9.986 -3.718 1.00 10.00 C ATOM 729 CG TYR A 49 2.362 -10.098 -3.861 1.00 10.00 C ATOM 730 CD1 TYR A 49 1.761 -11.297 -4.226 1.00 10.00 C ATOM 731 CD2 TYR A 49 1.542 -8.999 -3.634 1.00 10.00 C ATOM 732 CE1 TYR A 49 0.387 -11.396 -4.361 1.00 10.00 C ATOM 733 CE2 TYR A 49 0.170 -9.090 -3.765 1.00 10.00 C ATOM 734 CZ TYR A 49 -0.402 -10.289 -4.127 1.00 10.00 C ATOM 735 OH TYR A 49 -1.772 -10.383 -4.261 1.00 10.00 O ATOM 0 H TYR A 49 3.066 -9.594 -1.401 1.00 10.00 H new ATOM 0 HA TYR A 49 4.346 -11.794 -2.660 1.00 10.00 H new ATOM 0 HB2 TYR A 49 4.133 -8.932 -3.652 1.00 10.00 H new ATOM 0 HB3 TYR A 49 4.333 -10.378 -4.621 1.00 10.00 H new ATOM 0 HD1 TYR A 49 2.376 -12.166 -4.407 1.00 10.00 H new ATOM 0 HD2 TYR A 49 1.986 -8.056 -3.350 1.00 10.00 H new ATOM 0 HE1 TYR A 49 -0.065 -12.334 -4.648 1.00 10.00 H new ATOM 0 HE2 TYR A 49 -0.451 -8.225 -3.584 1.00 10.00 H new ATOM 0 HH TYR A 49 -2.164 -9.485 -4.253 1.00 10.00 H new ATOM 745 N SER A 50 6.709 -11.319 -1.861 1.00 10.00 N ATOM 746 CA SER A 50 8.135 -11.098 -1.665 1.00 10.00 C ATOM 747 C SER A 50 8.970 -12.029 -2.546 1.00 10.00 C ATOM 748 O SER A 50 10.167 -11.812 -2.733 1.00 10.00 O ATOM 749 CB SER A 50 8.500 -11.316 -0.192 1.00 10.00 C ATOM 750 OG SER A 50 7.465 -10.858 0.665 1.00 10.00 O ATOM 0 H SER A 50 6.384 -12.247 -1.592 1.00 10.00 H new ATOM 0 HA SER A 50 8.357 -10.070 -1.950 1.00 10.00 H new ATOM 0 HB2 SER A 50 8.683 -12.376 -0.013 1.00 10.00 H new ATOM 0 HB3 SER A 50 9.426 -10.789 0.038 1.00 10.00 H new ATOM 0 HG SER A 50 7.187 -9.959 0.390 1.00 10.00 H new ATOM 756 N LYS A 51 8.340 -13.061 -3.093 1.00 10.00 N ATOM 757 CA LYS A 51 9.046 -14.017 -3.939 1.00 10.00 C ATOM 758 C LYS A 51 8.764 -13.739 -5.405 1.00 10.00 C ATOM 759 O LYS A 51 9.682 -13.631 -6.223 1.00 10.00 O ATOM 760 CB LYS A 51 8.635 -15.449 -3.586 1.00 10.00 C ATOM 761 CG LYS A 51 9.164 -15.917 -2.237 1.00 10.00 C ATOM 762 CD LYS A 51 10.290 -16.929 -2.392 1.00 10.00 C ATOM 763 CE LYS A 51 11.467 -16.350 -3.164 1.00 10.00 C ATOM 764 NZ LYS A 51 12.555 -17.343 -3.344 1.00 10.00 N ATOM 0 H LYS A 51 7.347 -13.258 -2.968 1.00 10.00 H new ATOM 0 HA LYS A 51 10.116 -13.906 -3.762 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.547 -15.516 -3.584 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.995 -16.124 -4.363 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.523 -15.058 -1.669 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.352 -16.362 -1.663 1.00 10.00 H new ATOM 0 HD2 LYS A 51 10.625 -17.253 -1.407 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.916 -17.813 -2.908 1.00 10.00 H new ATOM 0 HE2 LYS A 51 11.126 -16.005 -4.140 1.00 10.00 H new ATOM 0 HE3 LYS A 51 11.855 -15.479 -2.635 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 13.337 -16.909 -3.874 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 12.899 -17.654 -2.413 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 12.193 -18.163 -3.871 1.00 10.00 H new ATOM 778 N HIS A 52 7.493 -13.621 -5.734 1.00 10.00 N ATOM 779 CA HIS A 52 7.072 -13.353 -7.095 1.00 10.00 C ATOM 780 C HIS A 52 5.704 -12.690 -7.089 1.00 10.00 C ATOM 781 O HIS A 52 5.478 -11.777 -7.911 1.00 10.00 O ATOM 782 CB HIS A 52 7.022 -14.649 -7.909 1.00 10.00 C ATOM 783 CG HIS A 52 6.599 -14.439 -9.327 1.00 10.00 C ATOM 784 ND1 HIS A 52 5.334 -14.736 -9.786 1.00 10.00 N ATOM 785 CD2 HIS A 52 7.272 -13.936 -10.389 1.00 10.00 C ATOM 786 CE1 HIS A 52 5.248 -14.426 -11.066 1.00 10.00 C ATOM 787 NE2 HIS A 52 6.410 -13.940 -11.454 1.00 10.00 N ATOM 788 OXT HIS A 52 4.861 -13.092 -6.262 1.00 10.00 O ATOM 0 H HIS A 52 6.725 -13.708 -5.068 1.00 10.00 H new ATOM 0 HA HIS A 52 7.796 -12.682 -7.558 1.00 10.00 H new ATOM 0 HB2 HIS A 52 8.007 -15.117 -7.896 1.00 10.00 H new ATOM 0 HB3 HIS A 52 6.333 -15.344 -7.430 1.00 10.00 H new ATOM 0 HD2 HIS A 52 8.297 -13.595 -10.395 1.00 10.00 H new ATOM 0 HE1 HIS A 52 4.375 -14.549 -11.689 1.00 10.00 H new ATOM 0 HE2 HIS A 52 6.632 -13.618 -12.396 1.00 10.00 H new TER 797 HIS A 52 ATOM 798 N GLY B 1 -17.650 19.583 3.058 1.00 10.00 N ATOM 799 CA GLY B 1 -18.525 18.549 3.659 1.00 10.00 C ATOM 800 C GLY B 1 -19.047 17.585 2.621 1.00 10.00 C ATOM 801 O GLY B 1 -18.621 17.621 1.465 1.00 10.00 O ATOM 0 H1 GLY B 1 -16.735 19.594 3.553 1.00 10.00 H new ATOM 0 H2 GLY B 1 -17.497 19.366 2.052 1.00 10.00 H new ATOM 0 H3 GLY B 1 -18.103 20.515 3.146 1.00 10.00 H new ATOM 0 HA2 GLY B 1 -17.969 17.999 4.419 1.00 10.00 H new ATOM 0 HA3 GLY B 1 -19.363 19.030 4.163 1.00 10.00 H new ATOM 807 N SER B 2 -19.963 16.719 3.022 1.00 10.00 N ATOM 808 CA SER B 2 -20.538 15.743 2.112 1.00 10.00 C ATOM 809 C SER B 2 -21.906 16.202 1.612 1.00 10.00 C ATOM 810 O SER B 2 -22.889 16.179 2.354 1.00 10.00 O ATOM 811 CB SER B 2 -20.655 14.388 2.809 1.00 10.00 C ATOM 812 OG SER B 2 -19.506 14.128 3.601 1.00 10.00 O ATOM 0 H SER B 2 -20.325 16.672 3.974 1.00 10.00 H new ATOM 0 HA SER B 2 -19.879 15.645 1.249 1.00 10.00 H new ATOM 0 HB2 SER B 2 -21.546 14.373 3.437 1.00 10.00 H new ATOM 0 HB3 SER B 2 -20.775 13.600 2.065 1.00 10.00 H new ATOM 0 HG SER B 2 -19.601 13.257 4.040 1.00 10.00 H new ATOM 818 N PRO B 3 -21.989 16.634 0.347 1.00 10.00 N ATOM 819 CA PRO B 3 -23.240 17.090 -0.246 1.00 10.00 C ATOM 820 C PRO B 3 -24.105 15.916 -0.700 1.00 10.00 C ATOM 821 O PRO B 3 -23.591 14.830 -0.976 1.00 10.00 O ATOM 822 CB PRO B 3 -22.771 17.917 -1.441 1.00 10.00 C ATOM 823 CG PRO B 3 -21.489 17.281 -1.858 1.00 10.00 C ATOM 824 CD PRO B 3 -20.868 16.705 -0.608 1.00 10.00 C ATOM 0 HA PRO B 3 -23.862 17.650 0.452 1.00 10.00 H new ATOM 0 HB2 PRO B 3 -23.504 17.899 -2.248 1.00 10.00 H new ATOM 0 HB3 PRO B 3 -22.625 18.962 -1.167 1.00 10.00 H new ATOM 0 HG2 PRO B 3 -21.666 16.500 -2.598 1.00 10.00 H new ATOM 0 HG3 PRO B 3 -20.825 18.012 -2.319 1.00 10.00 H new ATOM 0 HD2 PRO B 3 -20.438 15.721 -0.793 1.00 10.00 H new ATOM 0 HD3 PRO B 3 -20.064 17.338 -0.233 1.00 10.00 H new ATOM 832 N PRO B 4 -25.429 16.122 -0.808 1.00 10.00 N ATOM 833 CA PRO B 4 -26.368 15.069 -1.226 1.00 10.00 C ATOM 834 C PRO B 4 -26.194 14.669 -2.689 1.00 10.00 C ATOM 835 O PRO B 4 -26.903 13.797 -3.196 1.00 10.00 O ATOM 836 CB PRO B 4 -27.744 15.704 -0.998 1.00 10.00 C ATOM 837 CG PRO B 4 -27.504 17.171 -1.074 1.00 10.00 C ATOM 838 CD PRO B 4 -26.122 17.393 -0.522 1.00 10.00 C ATOM 0 HA PRO B 4 -26.213 14.146 -0.667 1.00 10.00 H new ATOM 0 HB2 PRO B 4 -28.459 15.381 -1.755 1.00 10.00 H new ATOM 0 HB3 PRO B 4 -28.155 15.420 -0.029 1.00 10.00 H new ATOM 0 HG2 PRO B 4 -27.575 17.525 -2.102 1.00 10.00 H new ATOM 0 HG3 PRO B 4 -28.248 17.719 -0.496 1.00 10.00 H new ATOM 0 HD2 PRO B 4 -25.628 18.237 -1.004 1.00 10.00 H new ATOM 0 HD3 PRO B 4 -26.146 17.606 0.547 1.00 10.00 H new ATOM 846 N GLU B 5 -25.249 15.310 -3.365 1.00 10.00 N ATOM 847 CA GLU B 5 -24.971 15.017 -4.761 1.00 10.00 C ATOM 848 C GLU B 5 -24.106 13.763 -4.874 1.00 10.00 C ATOM 849 O GLU B 5 -24.048 13.126 -5.926 1.00 10.00 O ATOM 850 CB GLU B 5 -24.257 16.200 -5.419 1.00 10.00 C ATOM 851 CG GLU B 5 -24.971 17.532 -5.229 1.00 10.00 C ATOM 852 CD GLU B 5 -26.397 17.508 -5.736 1.00 10.00 C ATOM 853 OE1 GLU B 5 -26.625 17.024 -6.863 1.00 10.00 O ATOM 854 OE2 GLU B 5 -27.296 17.979 -5.014 1.00 10.00 O ATOM 0 H GLU B 5 -24.660 16.040 -2.964 1.00 10.00 H new ATOM 0 HA GLU B 5 -25.917 14.844 -5.274 1.00 10.00 H new ATOM 0 HB2 GLU B 5 -23.249 16.277 -5.011 1.00 10.00 H new ATOM 0 HB3 GLU B 5 -24.154 16.002 -6.486 1.00 10.00 H new ATOM 0 HG2 GLU B 5 -24.970 17.792 -4.170 1.00 10.00 H new ATOM 0 HG3 GLU B 5 -24.418 18.314 -5.750 1.00 10.00 H new ATOM 861 N ALA B 6 -23.433 13.422 -3.781 1.00 10.00 N ATOM 862 CA ALA B 6 -22.571 12.249 -3.747 1.00 10.00 C ATOM 863 C ALA B 6 -23.373 11.020 -3.351 1.00 10.00 C ATOM 864 O ALA B 6 -24.253 11.100 -2.496 1.00 10.00 O ATOM 865 CB ALA B 6 -21.421 12.469 -2.774 1.00 10.00 C ATOM 0 H ALA B 6 -23.469 13.943 -2.905 1.00 10.00 H new ATOM 0 HA ALA B 6 -22.157 12.088 -4.743 1.00 10.00 H new ATOM 0 HB1 ALA B 6 -20.784 11.585 -2.758 1.00 10.00 H new ATOM 0 HB2 ALA B 6 -20.836 13.332 -3.091 1.00 10.00 H new ATOM 0 HB3 ALA B 6 -21.819 12.648 -1.775 1.00 10.00 H new ATOM 871 N ASP B 7 -23.077 9.889 -3.981 1.00 10.00 N ATOM 872 CA ASP B 7 -23.783 8.650 -3.680 1.00 10.00 C ATOM 873 C ASP B 7 -23.475 8.192 -2.256 1.00 10.00 C ATOM 874 O ASP B 7 -22.313 7.972 -1.903 1.00 10.00 O ATOM 875 CB ASP B 7 -23.410 7.555 -4.684 1.00 10.00 C ATOM 876 CG ASP B 7 -24.256 6.308 -4.518 1.00 10.00 C ATOM 877 OD1 ASP B 7 -23.875 5.428 -3.723 1.00 10.00 O ATOM 878 OD2 ASP B 7 -25.307 6.200 -5.179 1.00 10.00 O ATOM 0 H ASP B 7 -22.357 9.804 -4.699 1.00 10.00 H new ATOM 0 HA ASP B 7 -24.853 8.840 -3.761 1.00 10.00 H new ATOM 0 HB2 ASP B 7 -23.528 7.939 -5.697 1.00 10.00 H new ATOM 0 HB3 ASP B 7 -22.358 7.296 -4.562 1.00 10.00 H new ATOM 883 N PRO B 8 -24.513 8.033 -1.422 1.00 10.00 N ATOM 884 CA PRO B 8 -24.355 7.627 -0.019 1.00 10.00 C ATOM 885 C PRO B 8 -23.761 6.230 0.158 1.00 10.00 C ATOM 886 O PRO B 8 -23.279 5.891 1.236 1.00 10.00 O ATOM 887 CB PRO B 8 -25.783 7.670 0.536 1.00 10.00 C ATOM 888 CG PRO B 8 -26.671 7.575 -0.656 1.00 10.00 C ATOM 889 CD PRO B 8 -25.930 8.238 -1.780 1.00 10.00 C ATOM 0 HA PRO B 8 -23.654 8.284 0.495 1.00 10.00 H new ATOM 0 HB2 PRO B 8 -25.962 6.846 1.226 1.00 10.00 H new ATOM 0 HB3 PRO B 8 -25.963 8.593 1.088 1.00 10.00 H new ATOM 0 HG2 PRO B 8 -26.893 6.535 -0.895 1.00 10.00 H new ATOM 0 HG3 PRO B 8 -27.625 8.070 -0.472 1.00 10.00 H new ATOM 0 HD2 PRO B 8 -26.171 7.786 -2.742 1.00 10.00 H new ATOM 0 HD3 PRO B 8 -26.177 9.297 -1.855 1.00 10.00 H new ATOM 897 N ARG B 9 -23.786 5.425 -0.891 1.00 10.00 N ATOM 898 CA ARG B 9 -23.244 4.077 -0.812 1.00 10.00 C ATOM 899 C ARG B 9 -21.788 4.066 -1.256 1.00 10.00 C ATOM 900 O ARG B 9 -20.990 3.262 -0.777 1.00 10.00 O ATOM 901 CB ARG B 9 -24.061 3.118 -1.667 1.00 10.00 C ATOM 902 CG ARG B 9 -25.541 3.128 -1.330 1.00 10.00 C ATOM 903 CD ARG B 9 -26.365 2.607 -2.490 1.00 10.00 C ATOM 904 NE ARG B 9 -26.202 3.427 -3.688 1.00 10.00 N ATOM 905 CZ ARG B 9 -26.813 3.183 -4.844 1.00 10.00 C ATOM 906 NH1 ARG B 9 -27.616 2.133 -4.963 1.00 10.00 N ATOM 907 NH2 ARG B 9 -26.623 3.996 -5.874 1.00 10.00 N ATOM 0 H ARG B 9 -24.172 5.677 -1.801 1.00 10.00 H new ATOM 0 HA ARG B 9 -23.298 3.746 0.225 1.00 10.00 H new ATOM 0 HB2 ARG B 9 -23.933 3.379 -2.718 1.00 10.00 H new ATOM 0 HB3 ARG B 9 -23.673 2.107 -1.540 1.00 10.00 H new ATOM 0 HG2 ARG B 9 -25.721 2.515 -0.447 1.00 10.00 H new ATOM 0 HG3 ARG B 9 -25.855 4.142 -1.083 1.00 10.00 H new ATOM 0 HD2 ARG B 9 -26.072 1.580 -2.711 1.00 10.00 H new ATOM 0 HD3 ARG B 9 -27.417 2.585 -2.206 1.00 10.00 H new ATOM 0 HE ARG B 9 -25.582 4.235 -3.635 1.00 10.00 H new ATOM 0 HH11 ARG B 9 -27.765 1.512 -4.167 1.00 10.00 H new ATOM 0 HH12 ARG B 9 -28.084 1.947 -5.850 1.00 10.00 H new ATOM 0 HH21 ARG B 9 -26.010 4.806 -5.778 1.00 10.00 H new ATOM 0 HH22 ARG B 9 -27.090 3.812 -6.762 1.00 10.00 H new ATOM 921 N LEU B 10 -21.453 4.967 -2.170 1.00 10.00 N ATOM 922 CA LEU B 10 -20.089 5.081 -2.674 1.00 10.00 C ATOM 923 C LEU B 10 -19.160 5.558 -1.564 1.00 10.00 C ATOM 924 O LEU B 10 -18.022 5.103 -1.447 1.00 10.00 O ATOM 925 CB LEU B 10 -20.041 6.052 -3.855 1.00 10.00 C ATOM 926 CG LEU B 10 -18.648 6.311 -4.435 1.00 10.00 C ATOM 927 CD1 LEU B 10 -18.125 5.076 -5.144 1.00 10.00 C ATOM 928 CD2 LEU B 10 -18.680 7.496 -5.385 1.00 10.00 C ATOM 0 H LEU B 10 -22.109 5.632 -2.579 1.00 10.00 H new ATOM 0 HA LEU B 10 -19.757 4.100 -3.014 1.00 10.00 H new ATOM 0 HB2 LEU B 10 -20.680 5.665 -4.648 1.00 10.00 H new ATOM 0 HB3 LEU B 10 -20.467 7.004 -3.539 1.00 10.00 H new ATOM 0 HG LEU B 10 -17.972 6.545 -3.612 1.00 10.00 H new ATOM 0 HD11 LEU B 10 -17.134 5.281 -5.549 1.00 10.00 H new ATOM 0 HD12 LEU B 10 -18.064 4.249 -4.437 1.00 10.00 H new ATOM 0 HD13 LEU B 10 -18.801 4.809 -5.957 1.00 10.00 H new ATOM 0 HD21 LEU B 10 -17.682 7.666 -5.788 1.00 10.00 H new ATOM 0 HD22 LEU B 10 -19.371 7.289 -6.202 1.00 10.00 H new ATOM 0 HD23 LEU B 10 -19.010 8.385 -4.847 1.00 10.00 H new ATOM 940 N ILE B 11 -19.660 6.471 -0.741 1.00 10.00 N ATOM 941 CA ILE B 11 -18.880 7.007 0.365 1.00 10.00 C ATOM 942 C ILE B 11 -18.727 5.961 1.474 1.00 10.00 C ATOM 943 O ILE B 11 -17.843 6.062 2.327 1.00 10.00 O ATOM 944 CB ILE B 11 -19.523 8.297 0.931 1.00 10.00 C ATOM 945 CG1 ILE B 11 -18.513 9.075 1.779 1.00 10.00 C ATOM 946 CG2 ILE B 11 -20.769 7.978 1.742 1.00 10.00 C ATOM 947 CD1 ILE B 11 -19.012 10.435 2.224 1.00 10.00 C ATOM 0 H ILE B 11 -20.602 6.855 -0.819 1.00 10.00 H new ATOM 0 HA ILE B 11 -17.891 7.260 -0.018 1.00 10.00 H new ATOM 0 HB ILE B 11 -19.821 8.921 0.089 1.00 10.00 H new ATOM 0 HG12 ILE B 11 -18.260 8.485 2.660 1.00 10.00 H new ATOM 0 HG13 ILE B 11 -17.594 9.204 1.207 1.00 10.00 H new ATOM 0 HG21 ILE B 11 -21.199 8.903 2.127 1.00 10.00 H new ATOM 0 HG22 ILE B 11 -21.498 7.476 1.106 1.00 10.00 H new ATOM 0 HG23 ILE B 11 -20.504 7.327 2.575 1.00 10.00 H new ATOM 0 HD11 ILE B 11 -18.244 10.927 2.820 1.00 10.00 H new ATOM 0 HD12 ILE B 11 -19.238 11.044 1.349 1.00 10.00 H new ATOM 0 HD13 ILE B 11 -19.914 10.313 2.824 1.00 10.00 H new ATOM 959 N GLU B 12 -19.572 4.935 1.429 1.00 10.00 N ATOM 960 CA GLU B 12 -19.545 3.871 2.424 1.00 10.00 C ATOM 961 C GLU B 12 -18.339 2.958 2.233 1.00 10.00 C ATOM 962 O GLU B 12 -17.877 2.328 3.181 1.00 10.00 O ATOM 963 CB GLU B 12 -20.831 3.049 2.361 1.00 10.00 C ATOM 964 CG GLU B 12 -22.003 3.688 3.088 1.00 10.00 C ATOM 965 CD GLU B 12 -21.730 3.902 4.560 1.00 10.00 C ATOM 966 OE1 GLU B 12 -21.356 2.928 5.250 1.00 10.00 O ATOM 967 OE2 GLU B 12 -21.880 5.046 5.041 1.00 10.00 O ATOM 0 H GLU B 12 -20.286 4.819 0.710 1.00 10.00 H new ATOM 0 HA GLU B 12 -19.465 4.340 3.404 1.00 10.00 H new ATOM 0 HB2 GLU B 12 -21.103 2.896 1.317 1.00 10.00 H new ATOM 0 HB3 GLU B 12 -20.643 2.064 2.789 1.00 10.00 H new ATOM 0 HG2 GLU B 12 -22.235 4.646 2.623 1.00 10.00 H new ATOM 0 HG3 GLU B 12 -22.884 3.056 2.974 1.00 10.00 H new ATOM 974 N SER B 13 -17.827 2.895 1.013 1.00 10.00 N ATOM 975 CA SER B 13 -16.681 2.047 0.707 1.00 10.00 C ATOM 976 C SER B 13 -15.450 2.472 1.505 1.00 10.00 C ATOM 977 O SER B 13 -14.631 1.637 1.895 1.00 10.00 O ATOM 978 CB SER B 13 -16.393 2.089 -0.795 1.00 10.00 C ATOM 979 OG SER B 13 -17.594 1.940 -1.536 1.00 10.00 O ATOM 0 H SER B 13 -18.186 3.421 0.217 1.00 10.00 H new ATOM 0 HA SER B 13 -16.921 1.023 0.995 1.00 10.00 H new ATOM 0 HB2 SER B 13 -15.914 3.034 -1.053 1.00 10.00 H new ATOM 0 HB3 SER B 13 -15.695 1.295 -1.060 1.00 10.00 H new ATOM 0 HG SER B 13 -18.000 2.820 -1.682 1.00 10.00 H new ATOM 985 N LEU B 14 -15.331 3.768 1.763 1.00 10.00 N ATOM 986 CA LEU B 14 -14.203 4.288 2.519 1.00 10.00 C ATOM 987 C LEU B 14 -14.339 3.931 3.999 1.00 10.00 C ATOM 988 O LEU B 14 -13.369 3.513 4.640 1.00 10.00 O ATOM 989 CB LEU B 14 -14.085 5.805 2.337 1.00 10.00 C ATOM 990 CG LEU B 14 -13.818 6.266 0.900 1.00 10.00 C ATOM 991 CD1 LEU B 14 -15.100 6.753 0.247 1.00 10.00 C ATOM 992 CD2 LEU B 14 -12.763 7.361 0.875 1.00 10.00 C ATOM 0 H LEU B 14 -16.001 4.475 1.460 1.00 10.00 H new ATOM 0 HA LEU B 14 -13.292 3.827 2.138 1.00 10.00 H new ATOM 0 HB2 LEU B 14 -15.006 6.271 2.687 1.00 10.00 H new ATOM 0 HB3 LEU B 14 -13.281 6.171 2.975 1.00 10.00 H new ATOM 0 HG LEU B 14 -13.444 5.413 0.334 1.00 10.00 H new ATOM 0 HD11 LEU B 14 -14.889 7.076 -0.773 1.00 10.00 H new ATOM 0 HD12 LEU B 14 -15.829 5.943 0.228 1.00 10.00 H new ATOM 0 HD13 LEU B 14 -15.503 7.590 0.817 1.00 10.00 H new ATOM 0 HD21 LEU B 14 -12.588 7.674 -0.154 1.00 10.00 H new ATOM 0 HD22 LEU B 14 -13.109 8.213 1.460 1.00 10.00 H new ATOM 0 HD23 LEU B 14 -11.834 6.981 1.301 1.00 10.00 H new ATOM 1004 N SER B 15 -15.547 4.071 4.532 1.00 10.00 N ATOM 1005 CA SER B 15 -15.805 3.756 5.930 1.00 10.00 C ATOM 1006 C SER B 15 -15.748 2.248 6.154 1.00 10.00 C ATOM 1007 O SER B 15 -15.416 1.781 7.246 1.00 10.00 O ATOM 1008 CB SER B 15 -17.167 4.307 6.353 1.00 10.00 C ATOM 1009 OG SER B 15 -18.068 4.328 5.258 1.00 10.00 O ATOM 0 H SER B 15 -16.363 4.401 4.016 1.00 10.00 H new ATOM 0 HA SER B 15 -15.034 4.225 6.542 1.00 10.00 H new ATOM 0 HB2 SER B 15 -17.578 3.694 7.155 1.00 10.00 H new ATOM 0 HB3 SER B 15 -17.048 5.315 6.750 1.00 10.00 H new ATOM 0 HG SER B 15 -17.959 3.510 4.729 1.00 10.00 H new ATOM 1015 N GLN B 16 -16.063 1.493 5.104 1.00 10.00 N ATOM 1016 CA GLN B 16 -16.052 0.038 5.169 1.00 10.00 C ATOM 1017 C GLN B 16 -14.646 -0.481 5.432 1.00 10.00 C ATOM 1018 O GLN B 16 -14.463 -1.441 6.177 1.00 10.00 O ATOM 1019 CB GLN B 16 -16.605 -0.559 3.872 1.00 10.00 C ATOM 1020 CG GLN B 16 -17.009 -2.018 3.997 1.00 10.00 C ATOM 1021 CD GLN B 16 -18.029 -2.255 5.099 1.00 10.00 C ATOM 1022 OE1 GLN B 16 -18.838 -1.380 5.417 1.00 10.00 O ATOM 1023 NE2 GLN B 16 -17.998 -3.436 5.690 1.00 10.00 N ATOM 0 H GLN B 16 -16.330 1.870 4.194 1.00 10.00 H new ATOM 0 HA GLN B 16 -16.691 -0.270 5.996 1.00 10.00 H new ATOM 0 HB2 GLN B 16 -17.470 0.023 3.554 1.00 10.00 H new ATOM 0 HB3 GLN B 16 -15.853 -0.465 3.089 1.00 10.00 H new ATOM 0 HG2 GLN B 16 -17.421 -2.359 3.047 1.00 10.00 H new ATOM 0 HG3 GLN B 16 -16.122 -2.620 4.194 1.00 10.00 H new ATOM 0 HE21 GLN B 16 -17.314 -4.134 5.399 1.00 10.00 H new ATOM 0 HE22 GLN B 16 -18.658 -3.650 6.437 1.00 10.00 H new ATOM 1032 N MET B 17 -13.655 0.164 4.828 1.00 10.00 N ATOM 1033 CA MET B 17 -12.262 -0.228 5.018 1.00 10.00 C ATOM 1034 C MET B 17 -11.877 -0.063 6.482 1.00 10.00 C ATOM 1035 O MET B 17 -11.220 -0.924 7.067 1.00 10.00 O ATOM 1036 CB MET B 17 -11.328 0.603 4.134 1.00 10.00 C ATOM 1037 CG MET B 17 -11.628 0.496 2.648 1.00 10.00 C ATOM 1038 SD MET B 17 -11.679 -1.211 2.065 1.00 10.00 S ATOM 1039 CE MET B 17 -9.955 -1.682 2.213 1.00 10.00 C ATOM 0 H MET B 17 -13.789 0.959 4.204 1.00 10.00 H new ATOM 0 HA MET B 17 -12.158 -1.274 4.729 1.00 10.00 H new ATOM 0 HB2 MET B 17 -11.396 1.649 4.434 1.00 10.00 H new ATOM 0 HB3 MET B 17 -10.300 0.287 4.311 1.00 10.00 H new ATOM 0 HG2 MET B 17 -12.585 0.975 2.440 1.00 10.00 H new ATOM 0 HG3 MET B 17 -10.869 1.043 2.089 1.00 10.00 H new ATOM 0 HE1 MET B 17 -9.808 -2.669 1.773 1.00 10.00 H new ATOM 0 HE2 MET B 17 -9.333 -0.955 1.690 1.00 10.00 H new ATOM 0 HE3 MET B 17 -9.674 -1.709 3.266 1.00 10.00 H new ATOM 1049 N LEU B 18 -12.317 1.042 7.070 1.00 10.00 N ATOM 1050 CA LEU B 18 -12.045 1.333 8.470 1.00 10.00 C ATOM 1051 C LEU B 18 -12.697 0.283 9.370 1.00 10.00 C ATOM 1052 O LEU B 18 -12.100 -0.169 10.346 1.00 10.00 O ATOM 1053 CB LEU B 18 -12.566 2.731 8.820 1.00 10.00 C ATOM 1054 CG LEU B 18 -12.385 3.162 10.278 1.00 10.00 C ATOM 1055 CD1 LEU B 18 -10.915 3.368 10.602 1.00 10.00 C ATOM 1056 CD2 LEU B 18 -13.172 4.432 10.556 1.00 10.00 C ATOM 0 H LEU B 18 -12.868 1.756 6.594 1.00 10.00 H new ATOM 0 HA LEU B 18 -10.968 1.304 8.634 1.00 10.00 H new ATOM 0 HB2 LEU B 18 -12.063 3.457 8.181 1.00 10.00 H new ATOM 0 HB3 LEU B 18 -13.628 2.774 8.577 1.00 10.00 H new ATOM 0 HG LEU B 18 -12.767 2.367 10.919 1.00 10.00 H new ATOM 0 HD11 LEU B 18 -10.811 3.674 11.643 1.00 10.00 H new ATOM 0 HD12 LEU B 18 -10.373 2.436 10.442 1.00 10.00 H new ATOM 0 HD13 LEU B 18 -10.505 4.142 9.954 1.00 10.00 H new ATOM 0 HD21 LEU B 18 -13.033 4.726 11.596 1.00 10.00 H new ATOM 0 HD22 LEU B 18 -12.818 5.230 9.903 1.00 10.00 H new ATOM 0 HD23 LEU B 18 -14.231 4.253 10.368 1.00 10.00 H new ATOM 1068 N SER B 19 -13.915 -0.113 9.018 1.00 10.00 N ATOM 1069 CA SER B 19 -14.649 -1.113 9.783 1.00 10.00 C ATOM 1070 C SER B 19 -14.028 -2.497 9.575 1.00 10.00 C ATOM 1071 O SER B 19 -14.025 -3.331 10.484 1.00 10.00 O ATOM 1072 CB SER B 19 -16.127 -1.118 9.369 1.00 10.00 C ATOM 1073 OG SER B 19 -16.927 -1.814 10.312 1.00 10.00 O ATOM 0 H SER B 19 -14.416 0.245 8.205 1.00 10.00 H new ATOM 0 HA SER B 19 -14.588 -0.862 10.842 1.00 10.00 H new ATOM 0 HB2 SER B 19 -16.483 -0.092 9.274 1.00 10.00 H new ATOM 0 HB3 SER B 19 -16.230 -1.583 8.389 1.00 10.00 H new ATOM 0 HG SER B 19 -17.863 -1.799 10.022 1.00 10.00 H new ATOM 1079 N MET B 20 -13.490 -2.727 8.384 1.00 10.00 N ATOM 1080 CA MET B 20 -12.865 -4.003 8.052 1.00 10.00 C ATOM 1081 C MET B 20 -11.570 -4.180 8.841 1.00 10.00 C ATOM 1082 O MET B 20 -11.164 -5.297 9.165 1.00 10.00 O ATOM 1083 CB MET B 20 -12.592 -4.079 6.548 1.00 10.00 C ATOM 1084 CG MET B 20 -12.381 -5.495 6.033 1.00 10.00 C ATOM 1085 SD MET B 20 -11.911 -5.541 4.289 1.00 10.00 S ATOM 1086 CE MET B 20 -13.278 -4.668 3.531 1.00 10.00 C ATOM 0 H MET B 20 -13.474 -2.043 7.627 1.00 10.00 H new ATOM 0 HA MET B 20 -13.546 -4.810 8.323 1.00 10.00 H new ATOM 0 HB2 MET B 20 -13.428 -3.629 6.013 1.00 10.00 H new ATOM 0 HB3 MET B 20 -11.709 -3.483 6.318 1.00 10.00 H new ATOM 0 HG2 MET B 20 -11.607 -5.981 6.626 1.00 10.00 H new ATOM 0 HG3 MET B 20 -13.297 -6.068 6.173 1.00 10.00 H new ATOM 0 HE1 MET B 20 -13.458 -5.069 2.534 1.00 10.00 H new ATOM 0 HE2 MET B 20 -14.173 -4.795 4.140 1.00 10.00 H new ATOM 0 HE3 MET B 20 -13.036 -3.608 3.457 1.00 10.00 H new ATOM 1096 N GLY B 21 -10.936 -3.064 9.162 1.00 10.00 N ATOM 1097 CA GLY B 21 -9.705 -3.103 9.919 1.00 10.00 C ATOM 1098 C GLY B 21 -8.517 -2.621 9.114 1.00 10.00 C ATOM 1099 O GLY B 21 -7.376 -3.009 9.380 1.00 10.00 O ATOM 0 H GLY B 21 -11.254 -2.128 8.910 1.00 10.00 H new ATOM 0 HA2 GLY B 21 -9.811 -2.486 10.811 1.00 10.00 H new ATOM 0 HA3 GLY B 21 -9.522 -4.123 10.257 1.00 10.00 H new ATOM 1103 N PHE B 22 -8.784 -1.777 8.128 1.00 10.00 N ATOM 1104 CA PHE B 22 -7.736 -1.228 7.285 1.00 10.00 C ATOM 1105 C PHE B 22 -7.706 0.286 7.418 1.00 10.00 C ATOM 1106 O PHE B 22 -8.698 0.961 7.145 1.00 10.00 O ATOM 1107 CB PHE B 22 -7.966 -1.619 5.823 1.00 10.00 C ATOM 1108 CG PHE B 22 -7.658 -3.058 5.532 1.00 10.00 C ATOM 1109 CD1 PHE B 22 -6.356 -3.460 5.281 1.00 10.00 C ATOM 1110 CD2 PHE B 22 -8.666 -4.007 5.509 1.00 10.00 C ATOM 1111 CE1 PHE B 22 -6.065 -4.783 5.011 1.00 10.00 C ATOM 1112 CE2 PHE B 22 -8.382 -5.331 5.239 1.00 10.00 C ATOM 1113 CZ PHE B 22 -7.079 -5.719 4.989 1.00 10.00 C ATOM 0 H PHE B 22 -9.723 -1.457 7.893 1.00 10.00 H new ATOM 0 HA PHE B 22 -6.778 -1.636 7.608 1.00 10.00 H new ATOM 0 HB2 PHE B 22 -9.005 -1.418 5.561 1.00 10.00 H new ATOM 0 HB3 PHE B 22 -7.348 -0.987 5.185 1.00 10.00 H new ATOM 0 HD1 PHE B 22 -5.560 -2.731 5.297 1.00 10.00 H new ATOM 0 HD2 PHE B 22 -9.685 -3.708 5.704 1.00 10.00 H new ATOM 0 HE1 PHE B 22 -5.046 -5.084 4.818 1.00 10.00 H new ATOM 0 HE2 PHE B 22 -9.177 -6.062 5.223 1.00 10.00 H new ATOM 0 HZ PHE B 22 -6.855 -6.754 4.777 1.00 10.00 H new ATOM 1123 N SER B 23 -6.559 0.807 7.829 1.00 10.00 N ATOM 1124 CA SER B 23 -6.369 2.237 8.007 1.00 10.00 C ATOM 1125 C SER B 23 -4.905 2.511 8.313 1.00 10.00 C ATOM 1126 O SER B 23 -4.333 1.905 9.222 1.00 10.00 O ATOM 1127 CB SER B 23 -7.264 2.763 9.139 1.00 10.00 C ATOM 1128 OG SER B 23 -7.341 1.834 10.212 1.00 10.00 O ATOM 0 H SER B 23 -5.734 0.249 8.048 1.00 10.00 H new ATOM 0 HA SER B 23 -6.649 2.755 7.090 1.00 10.00 H new ATOM 0 HB2 SER B 23 -6.871 3.712 9.504 1.00 10.00 H new ATOM 0 HB3 SER B 23 -8.264 2.959 8.753 1.00 10.00 H new ATOM 0 HG SER B 23 -7.916 2.197 10.918 1.00 10.00 H new ATOM 1134 N ASP B 24 -4.295 3.395 7.546 1.00 10.00 N ATOM 1135 CA ASP B 24 -2.892 3.712 7.737 1.00 10.00 C ATOM 1136 C ASP B 24 -2.718 5.122 8.297 1.00 10.00 C ATOM 1137 O ASP B 24 -3.698 5.840 8.510 1.00 10.00 O ATOM 1138 CB ASP B 24 -2.125 3.536 6.425 1.00 10.00 C ATOM 1139 CG ASP B 24 -2.145 4.767 5.547 1.00 10.00 C ATOM 1140 OD1 ASP B 24 -3.212 5.104 4.993 1.00 10.00 O ATOM 1141 OD2 ASP B 24 -1.082 5.393 5.396 1.00 10.00 O ATOM 0 H ASP B 24 -4.747 3.905 6.787 1.00 10.00 H new ATOM 0 HA ASP B 24 -2.478 3.018 8.469 1.00 10.00 H new ATOM 0 HB2 ASP B 24 -1.091 3.276 6.650 1.00 10.00 H new ATOM 0 HB3 ASP B 24 -2.552 2.698 5.873 1.00 10.00 H new ATOM 1146 N GLU B 25 -1.472 5.509 8.535 1.00 10.00 N ATOM 1147 CA GLU B 25 -1.168 6.817 9.104 1.00 10.00 C ATOM 1148 C GLU B 25 -0.598 7.768 8.059 1.00 10.00 C ATOM 1149 O GLU B 25 -0.993 8.931 7.990 1.00 10.00 O ATOM 1150 CB GLU B 25 -0.176 6.678 10.268 1.00 10.00 C ATOM 1151 CG GLU B 25 0.224 5.237 10.575 1.00 10.00 C ATOM 1152 CD GLU B 25 1.330 4.712 9.675 1.00 10.00 C ATOM 1153 OE1 GLU B 25 1.242 4.886 8.441 1.00 10.00 O ATOM 1154 OE2 GLU B 25 2.286 4.108 10.202 1.00 10.00 O ATOM 0 H GLU B 25 -0.652 4.934 8.342 1.00 10.00 H new ATOM 0 HA GLU B 25 -2.105 7.236 9.471 1.00 10.00 H new ATOM 0 HB2 GLU B 25 0.721 7.252 10.037 1.00 10.00 H new ATOM 0 HB3 GLU B 25 -0.616 7.120 11.162 1.00 10.00 H new ATOM 0 HG2 GLU B 25 0.549 5.172 11.613 1.00 10.00 H new ATOM 0 HG3 GLU B 25 -0.651 4.596 10.474 1.00 10.00 H new ATOM 1161 N GLY B 26 0.333 7.267 7.253 1.00 10.00 N ATOM 1162 CA GLY B 26 0.960 8.081 6.224 1.00 10.00 C ATOM 1163 C GLY B 26 -0.029 8.622 5.211 1.00 10.00 C ATOM 1164 O GLY B 26 0.206 9.661 4.591 1.00 10.00 O ATOM 0 H GLY B 26 0.667 6.304 7.294 1.00 10.00 H new ATOM 0 HA2 GLY B 26 1.481 8.914 6.695 1.00 10.00 H new ATOM 0 HA3 GLY B 26 1.713 7.486 5.707 1.00 10.00 H new ATOM 1168 N GLY B 27 -1.130 7.917 5.036 1.00 10.00 N ATOM 1169 CA GLY B 27 -2.144 8.332 4.100 1.00 10.00 C ATOM 1170 C GLY B 27 -2.012 7.594 2.791 1.00 10.00 C ATOM 1171 O GLY B 27 -2.505 8.048 1.761 1.00 10.00 O ATOM 0 H GLY B 27 -1.341 7.052 5.534 1.00 10.00 H new ATOM 0 HA2 GLY B 27 -3.131 8.151 4.525 1.00 10.00 H new ATOM 0 HA3 GLY B 27 -2.064 9.405 3.925 1.00 10.00 H new ATOM 1175 N TRP B 28 -1.357 6.442 2.831 1.00 10.00 N ATOM 1176 CA TRP B 28 -1.151 5.659 1.628 1.00 10.00 C ATOM 1177 C TRP B 28 -2.443 4.962 1.215 1.00 10.00 C ATOM 1178 O TRP B 28 -2.702 4.780 0.026 1.00 10.00 O ATOM 1179 CB TRP B 28 0.021 4.664 1.804 1.00 10.00 C ATOM 1180 CG TRP B 28 -0.321 3.335 2.420 1.00 10.00 C ATOM 1181 CD1 TRP B 28 -0.153 2.973 3.722 1.00 10.00 C ATOM 1182 CD2 TRP B 28 -0.841 2.176 1.748 1.00 10.00 C ATOM 1183 NE1 TRP B 28 -0.559 1.674 3.909 1.00 10.00 N ATOM 1184 CE2 TRP B 28 -0.988 1.165 2.712 1.00 10.00 C ATOM 1185 CE3 TRP B 28 -1.216 1.904 0.428 1.00 10.00 C ATOM 1186 CZ2 TRP B 28 -1.477 -0.100 2.400 1.00 10.00 C ATOM 1187 CZ3 TRP B 28 -1.701 0.647 0.119 1.00 10.00 C ATOM 1188 CH2 TRP B 28 -1.833 -0.338 1.102 1.00 10.00 C ATOM 0 H TRP B 28 -0.963 6.034 3.679 1.00 10.00 H new ATOM 0 HA TRP B 28 -0.872 6.333 0.818 1.00 10.00 H new ATOM 0 HB2 TRP B 28 0.466 4.483 0.826 1.00 10.00 H new ATOM 0 HB3 TRP B 28 0.785 5.140 2.419 1.00 10.00 H new ATOM 0 HD1 TRP B 28 0.242 3.614 4.496 1.00 10.00 H new ATOM 0 HE1 TRP B 28 -0.543 1.170 4.796 1.00 10.00 H new ATOM 0 HE3 TRP B 28 -1.128 2.662 -0.336 1.00 10.00 H new ATOM 0 HZ2 TRP B 28 -1.572 -0.866 3.156 1.00 10.00 H new ATOM 0 HZ3 TRP B 28 -1.983 0.422 -0.899 1.00 10.00 H new ATOM 0 HH2 TRP B 28 -2.224 -1.307 0.830 1.00 10.00 H new ATOM 1199 N LEU B 29 -3.275 4.623 2.193 1.00 10.00 N ATOM 1200 CA LEU B 29 -4.540 3.955 1.916 1.00 10.00 C ATOM 1201 C LEU B 29 -5.521 4.913 1.245 1.00 10.00 C ATOM 1202 O LEU B 29 -6.221 4.541 0.304 1.00 10.00 O ATOM 1203 CB LEU B 29 -5.151 3.401 3.205 1.00 10.00 C ATOM 1204 CG LEU B 29 -6.341 2.462 3.003 1.00 10.00 C ATOM 1205 CD1 LEU B 29 -5.868 1.086 2.563 1.00 10.00 C ATOM 1206 CD2 LEU B 29 -7.161 2.362 4.279 1.00 10.00 C ATOM 0 H LEU B 29 -3.097 4.799 3.182 1.00 10.00 H new ATOM 0 HA LEU B 29 -4.341 3.126 1.237 1.00 10.00 H new ATOM 0 HB2 LEU B 29 -4.377 2.869 3.757 1.00 10.00 H new ATOM 0 HB3 LEU B 29 -5.469 4.237 3.828 1.00 10.00 H new ATOM 0 HG LEU B 29 -6.975 2.873 2.217 1.00 10.00 H new ATOM 0 HD11 LEU B 29 -6.729 0.432 2.425 1.00 10.00 H new ATOM 0 HD12 LEU B 29 -5.323 1.172 1.623 1.00 10.00 H new ATOM 0 HD13 LEU B 29 -5.212 0.666 3.326 1.00 10.00 H new ATOM 0 HD21 LEU B 29 -8.004 1.690 4.118 1.00 10.00 H new ATOM 0 HD22 LEU B 29 -6.536 1.974 5.084 1.00 10.00 H new ATOM 0 HD23 LEU B 29 -7.532 3.350 4.552 1.00 10.00 H new ATOM 1218 N THR B 30 -5.549 6.156 1.716 1.00 10.00 N ATOM 1219 CA THR B 30 -6.448 7.155 1.159 1.00 10.00 C ATOM 1220 C THR B 30 -6.016 7.548 -0.256 1.00 10.00 C ATOM 1221 O THR B 30 -6.807 8.084 -1.032 1.00 10.00 O ATOM 1222 CB THR B 30 -6.546 8.408 2.069 1.00 10.00 C ATOM 1223 OG1 THR B 30 -7.799 9.070 1.863 1.00 10.00 O ATOM 1224 CG2 THR B 30 -5.414 9.388 1.811 1.00 10.00 C ATOM 0 H THR B 30 -4.961 6.492 2.479 1.00 10.00 H new ATOM 0 HA THR B 30 -7.440 6.707 1.106 1.00 10.00 H new ATOM 0 HB THR B 30 -6.469 8.064 3.101 1.00 10.00 H new ATOM 0 HG1 THR B 30 -7.852 9.858 2.443 1.00 10.00 H new ATOM 0 HG21 THR B 30 -5.522 10.250 2.469 1.00 10.00 H new ATOM 0 HG22 THR B 30 -4.459 8.900 2.005 1.00 10.00 H new ATOM 0 HG23 THR B 30 -5.448 9.718 0.773 1.00 10.00 H new ATOM 1232 N ARG B 31 -4.763 7.265 -0.592 1.00 10.00 N ATOM 1233 CA ARG B 31 -4.242 7.570 -1.916 1.00 10.00 C ATOM 1234 C ARG B 31 -4.519 6.404 -2.855 1.00 10.00 C ATOM 1235 O ARG B 31 -4.846 6.598 -4.024 1.00 10.00 O ATOM 1236 CB ARG B 31 -2.736 7.853 -1.858 1.00 10.00 C ATOM 1237 CG ARG B 31 -2.366 9.080 -1.040 1.00 10.00 C ATOM 1238 CD ARG B 31 -2.814 10.371 -1.709 1.00 10.00 C ATOM 1239 NE ARG B 31 -2.033 10.675 -2.906 1.00 10.00 N ATOM 1240 CZ ARG B 31 -2.300 11.684 -3.735 1.00 10.00 C ATOM 1241 NH1 ARG B 31 -3.317 12.502 -3.495 1.00 10.00 N ATOM 1242 NH2 ARG B 31 -1.542 11.879 -4.809 1.00 10.00 N ATOM 0 H ARG B 31 -4.090 6.825 0.035 1.00 10.00 H new ATOM 0 HA ARG B 31 -4.742 8.464 -2.290 1.00 10.00 H new ATOM 0 HB2 ARG B 31 -2.230 6.984 -1.438 1.00 10.00 H new ATOM 0 HB3 ARG B 31 -2.362 7.980 -2.874 1.00 10.00 H new ATOM 0 HG2 ARG B 31 -2.821 9.007 -0.052 1.00 10.00 H new ATOM 0 HG3 ARG B 31 -1.286 9.105 -0.892 1.00 10.00 H new ATOM 0 HD2 ARG B 31 -3.868 10.293 -1.976 1.00 10.00 H new ATOM 0 HD3 ARG B 31 -2.725 11.195 -1.001 1.00 10.00 H new ATOM 0 HE ARG B 31 -1.234 10.078 -3.120 1.00 10.00 H new ATOM 0 HH11 ARG B 31 -3.901 12.361 -2.671 1.00 10.00 H new ATOM 0 HH12 ARG B 31 -3.514 13.272 -4.135 1.00 10.00 H new ATOM 0 HH21 ARG B 31 -0.756 11.257 -4.999 1.00 10.00 H new ATOM 0 HH22 ARG B 31 -1.746 12.651 -5.444 1.00 10.00 H new ATOM 1256 N LEU B 32 -4.399 5.190 -2.323 1.00 10.00 N ATOM 1257 CA LEU B 32 -4.633 3.975 -3.100 1.00 10.00 C ATOM 1258 C LEU B 32 -6.073 3.913 -3.600 1.00 10.00 C ATOM 1259 O LEU B 32 -6.332 3.477 -4.718 1.00 10.00 O ATOM 1260 CB LEU B 32 -4.325 2.739 -2.247 1.00 10.00 C ATOM 1261 CG LEU B 32 -4.381 1.405 -2.994 1.00 10.00 C ATOM 1262 CD1 LEU B 32 -3.061 1.125 -3.695 1.00 10.00 C ATOM 1263 CD2 LEU B 32 -4.736 0.272 -2.042 1.00 10.00 C ATOM 0 H LEU B 32 -4.140 5.021 -1.351 1.00 10.00 H new ATOM 0 HA LEU B 32 -3.970 3.992 -3.965 1.00 10.00 H new ATOM 0 HB2 LEU B 32 -3.331 2.854 -1.814 1.00 10.00 H new ATOM 0 HB3 LEU B 32 -5.032 2.703 -1.418 1.00 10.00 H new ATOM 0 HG LEU B 32 -5.161 1.471 -3.752 1.00 10.00 H new ATOM 0 HD11 LEU B 32 -3.123 0.172 -4.220 1.00 10.00 H new ATOM 0 HD12 LEU B 32 -2.853 1.920 -4.411 1.00 10.00 H new ATOM 0 HD13 LEU B 32 -2.259 1.082 -2.958 1.00 10.00 H new ATOM 0 HD21 LEU B 32 -4.771 -0.668 -2.592 1.00 10.00 H new ATOM 0 HD22 LEU B 32 -3.982 0.206 -1.258 1.00 10.00 H new ATOM 0 HD23 LEU B 32 -5.710 0.466 -1.593 1.00 10.00 H new ATOM 1275 N LEU B 33 -7.004 4.386 -2.778 1.00 10.00 N ATOM 1276 CA LEU B 33 -8.423 4.374 -3.133 1.00 10.00 C ATOM 1277 C LEU B 33 -8.722 5.319 -4.299 1.00 10.00 C ATOM 1278 O LEU B 33 -9.841 5.351 -4.813 1.00 10.00 O ATOM 1279 CB LEU B 33 -9.267 4.776 -1.926 1.00 10.00 C ATOM 1280 CG LEU B 33 -9.273 3.786 -0.760 1.00 10.00 C ATOM 1281 CD1 LEU B 33 -10.069 4.357 0.403 1.00 10.00 C ATOM 1282 CD2 LEU B 33 -9.848 2.448 -1.197 1.00 10.00 C ATOM 0 H LEU B 33 -6.803 4.783 -1.860 1.00 10.00 H new ATOM 0 HA LEU B 33 -8.676 3.360 -3.443 1.00 10.00 H new ATOM 0 HB2 LEU B 33 -8.909 5.738 -1.560 1.00 10.00 H new ATOM 0 HB3 LEU B 33 -10.295 4.924 -2.258 1.00 10.00 H new ATOM 0 HG LEU B 33 -8.246 3.623 -0.434 1.00 10.00 H new ATOM 0 HD11 LEU B 33 -10.068 3.645 1.229 1.00 10.00 H new ATOM 0 HD12 LEU B 33 -9.615 5.293 0.730 1.00 10.00 H new ATOM 0 HD13 LEU B 33 -11.095 4.543 0.085 1.00 10.00 H new ATOM 0 HD21 LEU B 33 -9.844 1.757 -0.354 1.00 10.00 H new ATOM 0 HD22 LEU B 33 -10.871 2.588 -1.546 1.00 10.00 H new ATOM 0 HD23 LEU B 33 -9.242 2.038 -2.005 1.00 10.00 H new ATOM 1294 N GLN B 34 -7.740 6.116 -4.689 1.00 10.00 N ATOM 1295 CA GLN B 34 -7.922 7.041 -5.792 1.00 10.00 C ATOM 1296 C GLN B 34 -7.422 6.439 -7.103 1.00 10.00 C ATOM 1297 O GLN B 34 -8.126 6.468 -8.113 1.00 10.00 O ATOM 1298 CB GLN B 34 -7.210 8.364 -5.509 1.00 10.00 C ATOM 1299 CG GLN B 34 -7.945 9.249 -4.519 1.00 10.00 C ATOM 1300 CD GLN B 34 -9.337 9.612 -4.996 1.00 10.00 C ATOM 1301 OE1 GLN B 34 -9.516 10.587 -5.724 1.00 10.00 O ATOM 1302 NE2 GLN B 34 -10.328 8.835 -4.591 1.00 10.00 N ATOM 0 H GLN B 34 -6.815 6.140 -4.260 1.00 10.00 H new ATOM 0 HA GLN B 34 -8.990 7.234 -5.893 1.00 10.00 H new ATOM 0 HB2 GLN B 34 -6.211 8.155 -5.125 1.00 10.00 H new ATOM 0 HB3 GLN B 34 -7.084 8.907 -6.446 1.00 10.00 H new ATOM 0 HG2 GLN B 34 -8.014 8.737 -3.559 1.00 10.00 H new ATOM 0 HG3 GLN B 34 -7.371 10.161 -4.354 1.00 10.00 H new ATOM 0 HE21 GLN B 34 -10.135 8.036 -3.987 1.00 10.00 H new ATOM 0 HE22 GLN B 34 -11.285 9.035 -4.883 1.00 10.00 H new ATOM 1311 N THR B 35 -6.221 5.872 -7.079 1.00 10.00 N ATOM 1312 CA THR B 35 -5.634 5.286 -8.276 1.00 10.00 C ATOM 1313 C THR B 35 -6.195 3.894 -8.560 1.00 10.00 C ATOM 1314 O THR B 35 -6.305 3.483 -9.717 1.00 10.00 O ATOM 1315 CB THR B 35 -4.099 5.213 -8.164 1.00 10.00 C ATOM 1316 OG1 THR B 35 -3.716 4.755 -6.857 1.00 10.00 O ATOM 1317 CG2 THR B 35 -3.473 6.574 -8.426 1.00 10.00 C ATOM 0 H THR B 35 -5.637 5.806 -6.245 1.00 10.00 H new ATOM 0 HA THR B 35 -5.899 5.939 -9.108 1.00 10.00 H new ATOM 0 HB THR B 35 -3.740 4.509 -8.915 1.00 10.00 H new ATOM 0 HG1 THR B 35 -2.920 4.187 -6.929 1.00 10.00 H new ATOM 0 HG21 THR B 35 -2.389 6.498 -8.342 1.00 10.00 H new ATOM 0 HG22 THR B 35 -3.736 6.908 -9.429 1.00 10.00 H new ATOM 0 HG23 THR B 35 -3.845 7.292 -7.695 1.00 10.00 H new ATOM 1325 N LYS B 36 -6.555 3.174 -7.506 1.00 10.00 N ATOM 1326 CA LYS B 36 -7.097 1.825 -7.651 1.00 10.00 C ATOM 1327 C LYS B 36 -8.616 1.835 -7.531 1.00 10.00 C ATOM 1328 O LYS B 36 -9.253 0.779 -7.519 1.00 10.00 O ATOM 1329 CB LYS B 36 -6.487 0.896 -6.596 1.00 10.00 C ATOM 1330 CG LYS B 36 -5.287 0.097 -7.089 1.00 10.00 C ATOM 1331 CD LYS B 36 -4.217 0.995 -7.695 1.00 10.00 C ATOM 1332 CE LYS B 36 -2.982 0.201 -8.083 1.00 10.00 C ATOM 1333 NZ LYS B 36 -2.103 0.967 -9.001 1.00 10.00 N ATOM 0 H LYS B 36 -6.483 3.499 -6.542 1.00 10.00 H new ATOM 0 HA LYS B 36 -6.836 1.455 -8.642 1.00 10.00 H new ATOM 0 HB2 LYS B 36 -6.184 1.491 -5.735 1.00 10.00 H new ATOM 0 HB3 LYS B 36 -7.254 0.203 -6.251 1.00 10.00 H new ATOM 0 HG2 LYS B 36 -4.861 -0.467 -6.259 1.00 10.00 H new ATOM 0 HG3 LYS B 36 -5.615 -0.629 -7.833 1.00 10.00 H new ATOM 0 HD2 LYS B 36 -4.618 1.499 -8.574 1.00 10.00 H new ATOM 0 HD3 LYS B 36 -3.943 1.771 -6.980 1.00 10.00 H new ATOM 0 HE2 LYS B 36 -2.425 -0.067 -7.185 1.00 10.00 H new ATOM 0 HE3 LYS B 36 -3.284 -0.731 -8.561 1.00 10.00 H new ATOM 0 HZ1 LYS B 36 -1.116 0.667 -8.867 1.00 10.00 H new ATOM 0 HZ2 LYS B 36 -2.389 0.788 -9.985 1.00 10.00 H new ATOM 0 HZ3 LYS B 36 -2.187 1.983 -8.795 1.00 10.00 H new ATOM 1347 N ASN B 37 -9.177 3.040 -7.451 1.00 10.00 N ATOM 1348 CA ASN B 37 -10.623 3.241 -7.330 1.00 10.00 C ATOM 1349 C ASN B 37 -11.116 2.774 -5.961 1.00 10.00 C ATOM 1350 O ASN B 37 -10.332 2.328 -5.123 1.00 10.00 O ATOM 1351 CB ASN B 37 -11.390 2.517 -8.451 1.00 10.00 C ATOM 1352 CG ASN B 37 -12.706 3.192 -8.798 1.00 10.00 C ATOM 1353 OD1 ASN B 37 -13.740 2.930 -8.178 1.00 10.00 O ATOM 1354 ND2 ASN B 37 -12.682 4.062 -9.793 1.00 10.00 N ATOM 0 H ASN B 37 -8.642 3.908 -7.468 1.00 10.00 H new ATOM 0 HA ASN B 37 -10.817 4.309 -7.429 1.00 10.00 H new ATOM 0 HB2 ASN B 37 -10.764 2.472 -9.342 1.00 10.00 H new ATOM 0 HB3 ASN B 37 -11.584 1.489 -8.146 1.00 10.00 H new ATOM 0 HD21 ASN B 37 -13.538 4.542 -10.071 1.00 10.00 H new ATOM 0 HD22 ASN B 37 -11.808 4.253 -10.282 1.00 10.00 H new ATOM 1361 N TYR B 38 -12.416 2.865 -5.746 1.00 10.00 N ATOM 1362 CA TYR B 38 -13.016 2.466 -4.481 1.00 10.00 C ATOM 1363 C TYR B 38 -13.514 1.025 -4.562 1.00 10.00 C ATOM 1364 O TYR B 38 -14.525 0.672 -3.957 1.00 10.00 O ATOM 1365 CB TYR B 38 -14.180 3.399 -4.122 1.00 10.00 C ATOM 1366 CG TYR B 38 -13.944 4.856 -4.472 1.00 10.00 C ATOM 1367 CD1 TYR B 38 -13.245 5.694 -3.613 1.00 10.00 C ATOM 1368 CD2 TYR B 38 -14.431 5.393 -5.659 1.00 10.00 C ATOM 1369 CE1 TYR B 38 -13.036 7.024 -3.925 1.00 10.00 C ATOM 1370 CE2 TYR B 38 -14.226 6.723 -5.979 1.00 10.00 C ATOM 1371 CZ TYR B 38 -13.527 7.536 -5.110 1.00 10.00 C ATOM 1372 OH TYR B 38 -13.320 8.862 -5.423 1.00 10.00 O ATOM 0 H TYR B 38 -13.082 3.214 -6.435 1.00 10.00 H new ATOM 0 HA TYR B 38 -12.256 2.536 -3.703 1.00 10.00 H new ATOM 0 HB2 TYR B 38 -15.078 3.055 -4.636 1.00 10.00 H new ATOM 0 HB3 TYR B 38 -14.376 3.322 -3.052 1.00 10.00 H new ATOM 0 HD1 TYR B 38 -12.858 5.299 -2.685 1.00 10.00 H new ATOM 0 HD2 TYR B 38 -14.978 4.761 -6.342 1.00 10.00 H new ATOM 0 HE1 TYR B 38 -12.491 7.661 -3.244 1.00 10.00 H new ATOM 0 HE2 TYR B 38 -14.611 7.124 -6.905 1.00 10.00 H new ATOM 0 HH TYR B 38 -13.729 9.061 -6.291 1.00 10.00 H new ATOM 1382 N ASP B 39 -12.796 0.200 -5.308 1.00 10.00 N ATOM 1383 CA ASP B 39 -13.168 -1.198 -5.478 1.00 10.00 C ATOM 1384 C ASP B 39 -12.602 -2.034 -4.340 1.00 10.00 C ATOM 1385 O ASP B 39 -11.408 -2.341 -4.314 1.00 10.00 O ATOM 1386 CB ASP B 39 -12.665 -1.724 -6.823 1.00 10.00 C ATOM 1387 CG ASP B 39 -13.472 -2.902 -7.330 1.00 10.00 C ATOM 1388 OD1 ASP B 39 -13.260 -4.037 -6.849 1.00 10.00 O ATOM 1389 OD2 ASP B 39 -14.321 -2.700 -8.220 1.00 10.00 O ATOM 0 H ASP B 39 -11.950 0.474 -5.807 1.00 10.00 H new ATOM 0 HA ASP B 39 -14.255 -1.273 -5.461 1.00 10.00 H new ATOM 0 HB2 ASP B 39 -12.701 -0.921 -7.559 1.00 10.00 H new ATOM 0 HB3 ASP B 39 -11.621 -2.020 -6.725 1.00 10.00 H new ATOM 1394 N ILE B 40 -13.467 -2.398 -3.404 1.00 10.00 N ATOM 1395 CA ILE B 40 -13.073 -3.190 -2.239 1.00 10.00 C ATOM 1396 C ILE B 40 -12.429 -4.515 -2.650 1.00 10.00 C ATOM 1397 O ILE B 40 -11.375 -4.891 -2.129 1.00 10.00 O ATOM 1398 CB ILE B 40 -14.290 -3.470 -1.326 1.00 10.00 C ATOM 1399 CG1 ILE B 40 -14.869 -2.153 -0.797 1.00 10.00 C ATOM 1400 CG2 ILE B 40 -13.903 -4.385 -0.171 1.00 10.00 C ATOM 1401 CD1 ILE B 40 -16.183 -2.316 -0.059 1.00 10.00 C ATOM 0 H ILE B 40 -14.458 -2.156 -3.427 1.00 10.00 H new ATOM 0 HA ILE B 40 -12.337 -2.604 -1.689 1.00 10.00 H new ATOM 0 HB ILE B 40 -15.053 -3.976 -1.917 1.00 10.00 H new ATOM 0 HG12 ILE B 40 -14.143 -1.690 -0.129 1.00 10.00 H new ATOM 0 HG13 ILE B 40 -15.015 -1.469 -1.633 1.00 10.00 H new ATOM 0 HG21 ILE B 40 -14.775 -4.567 0.457 1.00 10.00 H new ATOM 0 HG22 ILE B 40 -13.535 -5.332 -0.565 1.00 10.00 H new ATOM 0 HG23 ILE B 40 -13.121 -3.911 0.423 1.00 10.00 H new ATOM 0 HD11 ILE B 40 -16.530 -1.342 0.285 1.00 10.00 H new ATOM 0 HD12 ILE B 40 -16.925 -2.750 -0.729 1.00 10.00 H new ATOM 0 HD13 ILE B 40 -16.040 -2.974 0.798 1.00 10.00 H new ATOM 1413 N GLY B 41 -13.051 -5.201 -3.601 1.00 10.00 N ATOM 1414 CA GLY B 41 -12.538 -6.479 -4.064 1.00 10.00 C ATOM 1415 C GLY B 41 -11.132 -6.383 -4.626 1.00 10.00 C ATOM 1416 O GLY B 41 -10.276 -7.218 -4.321 1.00 10.00 O ATOM 0 H GLY B 41 -13.907 -4.894 -4.063 1.00 10.00 H new ATOM 0 HA2 GLY B 41 -12.545 -7.189 -3.237 1.00 10.00 H new ATOM 0 HA3 GLY B 41 -13.204 -6.876 -4.830 1.00 10.00 H new ATOM 1420 N ALA B 42 -10.893 -5.364 -5.443 1.00 10.00 N ATOM 1421 CA ALA B 42 -9.583 -5.163 -6.051 1.00 10.00 C ATOM 1422 C ALA B 42 -8.533 -4.801 -5.010 1.00 10.00 C ATOM 1423 O ALA B 42 -7.441 -5.370 -4.993 1.00 10.00 O ATOM 1424 CB ALA B 42 -9.659 -4.090 -7.126 1.00 10.00 C ATOM 0 H ALA B 42 -11.589 -4.664 -5.700 1.00 10.00 H new ATOM 0 HA ALA B 42 -9.281 -6.104 -6.511 1.00 10.00 H new ATOM 0 HB1 ALA B 42 -8.674 -3.951 -7.571 1.00 10.00 H new ATOM 0 HB2 ALA B 42 -10.366 -4.397 -7.897 1.00 10.00 H new ATOM 0 HB3 ALA B 42 -9.992 -3.152 -6.681 1.00 10.00 H new ATOM 1430 N ALA B 43 -8.875 -3.862 -4.134 1.00 10.00 N ATOM 1431 CA ALA B 43 -7.963 -3.406 -3.087 1.00 10.00 C ATOM 1432 C ALA B 43 -7.536 -4.551 -2.173 1.00 10.00 C ATOM 1433 O ALA B 43 -6.383 -4.627 -1.752 1.00 10.00 O ATOM 1434 CB ALA B 43 -8.607 -2.294 -2.274 1.00 10.00 C ATOM 0 H ALA B 43 -9.783 -3.398 -4.128 1.00 10.00 H new ATOM 0 HA ALA B 43 -7.067 -3.020 -3.574 1.00 10.00 H new ATOM 0 HB1 ALA B 43 -7.917 -1.964 -1.498 1.00 10.00 H new ATOM 0 HB2 ALA B 43 -8.845 -1.455 -2.929 1.00 10.00 H new ATOM 0 HB3 ALA B 43 -9.522 -2.664 -1.812 1.00 10.00 H new ATOM 1440 N LEU B 44 -8.471 -5.446 -1.887 1.00 10.00 N ATOM 1441 CA LEU B 44 -8.210 -6.593 -1.025 1.00 10.00 C ATOM 1442 C LEU B 44 -7.149 -7.512 -1.627 1.00 10.00 C ATOM 1443 O LEU B 44 -6.261 -7.996 -0.931 1.00 10.00 O ATOM 1444 CB LEU B 44 -9.506 -7.379 -0.813 1.00 10.00 C ATOM 1445 CG LEU B 44 -9.827 -7.740 0.636 1.00 10.00 C ATOM 1446 CD1 LEU B 44 -10.049 -6.486 1.462 1.00 10.00 C ATOM 1447 CD2 LEU B 44 -11.053 -8.639 0.702 1.00 10.00 C ATOM 0 H LEU B 44 -9.426 -5.400 -2.242 1.00 10.00 H new ATOM 0 HA LEU B 44 -7.837 -6.222 -0.070 1.00 10.00 H new ATOM 0 HB2 LEU B 44 -10.334 -6.796 -1.216 1.00 10.00 H new ATOM 0 HB3 LEU B 44 -9.452 -8.299 -1.395 1.00 10.00 H new ATOM 0 HG LEU B 44 -8.976 -8.281 1.050 1.00 10.00 H new ATOM 0 HD11 LEU B 44 -10.276 -6.764 2.491 1.00 10.00 H new ATOM 0 HD12 LEU B 44 -9.148 -5.873 1.442 1.00 10.00 H new ATOM 0 HD13 LEU B 44 -10.882 -5.919 1.047 1.00 10.00 H new ATOM 0 HD21 LEU B 44 -11.267 -8.886 1.742 1.00 10.00 H new ATOM 0 HD22 LEU B 44 -11.908 -8.120 0.269 1.00 10.00 H new ATOM 0 HD23 LEU B 44 -10.863 -9.555 0.143 1.00 10.00 H new ATOM 1459 N ASP B 45 -7.236 -7.730 -2.931 1.00 10.00 N ATOM 1460 CA ASP B 45 -6.303 -8.611 -3.622 1.00 10.00 C ATOM 1461 C ASP B 45 -5.005 -7.888 -3.980 1.00 10.00 C ATOM 1462 O ASP B 45 -4.043 -8.507 -4.438 1.00 10.00 O ATOM 1463 CB ASP B 45 -6.958 -9.169 -4.887 1.00 10.00 C ATOM 1464 CG ASP B 45 -6.319 -10.459 -5.358 1.00 10.00 C ATOM 1465 OD1 ASP B 45 -6.534 -11.509 -4.710 1.00 10.00 O ATOM 1466 OD2 ASP B 45 -5.615 -10.439 -6.386 1.00 10.00 O ATOM 0 H ASP B 45 -7.943 -7.309 -3.533 1.00 10.00 H new ATOM 0 HA ASP B 45 -6.051 -9.430 -2.948 1.00 10.00 H new ATOM 0 HB2 ASP B 45 -8.017 -9.342 -4.696 1.00 10.00 H new ATOM 0 HB3 ASP B 45 -6.894 -8.426 -5.682 1.00 10.00 H new ATOM 1471 N THR B 46 -4.977 -6.579 -3.758 1.00 10.00 N ATOM 1472 CA THR B 46 -3.807 -5.769 -4.071 1.00 10.00 C ATOM 1473 C THR B 46 -2.606 -6.144 -3.196 1.00 10.00 C ATOM 1474 O THR B 46 -1.469 -6.182 -3.668 1.00 10.00 O ATOM 1475 CB THR B 46 -4.113 -4.261 -3.913 1.00 10.00 C ATOM 1476 OG1 THR B 46 -5.187 -3.890 -4.787 1.00 10.00 O ATOM 1477 CG2 THR B 46 -2.890 -3.410 -4.227 1.00 10.00 C ATOM 0 H THR B 46 -5.756 -6.054 -3.360 1.00 10.00 H new ATOM 0 HA THR B 46 -3.553 -5.973 -5.111 1.00 10.00 H new ATOM 0 HB THR B 46 -4.397 -4.083 -2.876 1.00 10.00 H new ATOM 0 HG1 THR B 46 -5.939 -4.506 -4.661 1.00 10.00 H new ATOM 0 HG21 THR B 46 -3.140 -2.356 -4.106 1.00 10.00 H new ATOM 0 HG22 THR B 46 -2.080 -3.672 -3.546 1.00 10.00 H new ATOM 0 HG23 THR B 46 -2.574 -3.593 -5.254 1.00 10.00 H new ATOM 1485 N ILE B 47 -2.855 -6.440 -1.928 1.00 10.00 N ATOM 1486 CA ILE B 47 -1.772 -6.787 -1.016 1.00 10.00 C ATOM 1487 C ILE B 47 -1.886 -8.222 -0.517 1.00 10.00 C ATOM 1488 O ILE B 47 -1.274 -8.579 0.489 1.00 10.00 O ATOM 1489 CB ILE B 47 -1.714 -5.825 0.190 1.00 10.00 C ATOM 1490 CG1 ILE B 47 -3.062 -5.807 0.923 1.00 10.00 C ATOM 1491 CG2 ILE B 47 -1.325 -4.424 -0.268 1.00 10.00 C ATOM 1492 CD1 ILE B 47 -3.028 -5.071 2.247 1.00 10.00 C ATOM 0 H ILE B 47 -3.785 -6.447 -1.510 1.00 10.00 H new ATOM 0 HA ILE B 47 -0.849 -6.692 -1.588 1.00 10.00 H new ATOM 0 HB ILE B 47 -0.953 -6.179 0.885 1.00 10.00 H new ATOM 0 HG12 ILE B 47 -3.809 -5.343 0.279 1.00 10.00 H new ATOM 0 HG13 ILE B 47 -3.384 -6.834 1.097 1.00 10.00 H new ATOM 0 HG21 ILE B 47 -1.288 -3.757 0.593 1.00 10.00 H new ATOM 0 HG22 ILE B 47 -0.345 -4.456 -0.744 1.00 10.00 H new ATOM 0 HG23 ILE B 47 -2.063 -4.056 -0.981 1.00 10.00 H new ATOM 0 HD11 ILE B 47 -4.016 -5.101 2.705 1.00 10.00 H new ATOM 0 HD12 ILE B 47 -2.306 -5.548 2.910 1.00 10.00 H new ATOM 0 HD13 ILE B 47 -2.737 -4.034 2.079 1.00 10.00 H new ATOM 1504 N GLN B 48 -2.680 -9.032 -1.223 1.00 10.00 N ATOM 1505 CA GLN B 48 -2.887 -10.452 -0.887 1.00 10.00 C ATOM 1506 C GLN B 48 -3.770 -10.626 0.350 1.00 10.00 C ATOM 1507 O GLN B 48 -4.631 -11.505 0.374 1.00 10.00 O ATOM 1508 CB GLN B 48 -1.548 -11.181 -0.693 1.00 10.00 C ATOM 1509 CG GLN B 48 -1.518 -12.583 -1.285 1.00 10.00 C ATOM 1510 CD GLN B 48 -2.274 -13.601 -0.447 1.00 10.00 C ATOM 1511 OE1 GLN B 48 -2.307 -13.518 0.781 1.00 10.00 O ATOM 1512 NE2 GLN B 48 -2.893 -14.568 -1.109 1.00 10.00 N ATOM 0 H GLN B 48 -3.200 -8.726 -2.045 1.00 10.00 H new ATOM 0 HA GLN B 48 -3.407 -10.901 -1.733 1.00 10.00 H new ATOM 0 HB2 GLN B 48 -0.754 -10.588 -1.147 1.00 10.00 H new ATOM 0 HB3 GLN B 48 -1.330 -11.243 0.373 1.00 10.00 H new ATOM 0 HG2 GLN B 48 -1.946 -12.557 -2.287 1.00 10.00 H new ATOM 0 HG3 GLN B 48 -0.482 -12.905 -1.389 1.00 10.00 H new ATOM 0 HE21 GLN B 48 -2.842 -14.603 -2.127 1.00 10.00 H new ATOM 0 HE22 GLN B 48 -3.420 -15.278 -0.600 1.00 10.00 H new ATOM 1521 N TYR B 49 -3.543 -9.806 1.372 1.00 10.00 N ATOM 1522 CA TYR B 49 -4.315 -9.865 2.612 1.00 10.00 C ATOM 1523 C TYR B 49 -5.808 -9.687 2.344 1.00 10.00 C ATOM 1524 O TYR B 49 -6.296 -8.567 2.198 1.00 10.00 O ATOM 1525 CB TYR B 49 -3.834 -8.786 3.593 1.00 10.00 C ATOM 1526 CG TYR B 49 -2.438 -9.015 4.142 1.00 10.00 C ATOM 1527 CD1 TYR B 49 -2.245 -9.759 5.298 1.00 10.00 C ATOM 1528 CD2 TYR B 49 -1.317 -8.482 3.512 1.00 10.00 C ATOM 1529 CE1 TYR B 49 -0.979 -9.969 5.810 1.00 10.00 C ATOM 1530 CE2 TYR B 49 -0.046 -8.689 4.021 1.00 10.00 C ATOM 1531 CZ TYR B 49 0.116 -9.431 5.167 1.00 10.00 C ATOM 1532 OH TYR B 49 1.378 -9.645 5.673 1.00 10.00 O ATOM 0 H TYR B 49 -2.822 -9.084 1.366 1.00 10.00 H new ATOM 0 HA TYR B 49 -4.159 -10.850 3.053 1.00 10.00 H new ATOM 0 HB2 TYR B 49 -3.860 -7.819 3.091 1.00 10.00 H new ATOM 0 HB3 TYR B 49 -4.535 -8.732 4.426 1.00 10.00 H new ATOM 0 HD1 TYR B 49 -3.099 -10.181 5.806 1.00 10.00 H new ATOM 0 HD2 TYR B 49 -1.441 -7.898 2.612 1.00 10.00 H new ATOM 0 HE1 TYR B 49 -0.848 -10.552 6.710 1.00 10.00 H new ATOM 0 HE2 TYR B 49 0.814 -8.270 3.520 1.00 10.00 H new ATOM 0 HH TYR B 49 1.809 -10.374 5.180 1.00 10.00 H new ATOM 1542 N SER B 50 -6.523 -10.801 2.274 1.00 10.00 N ATOM 1543 CA SER B 50 -7.955 -10.772 2.028 1.00 10.00 C ATOM 1544 C SER B 50 -8.690 -11.749 2.942 1.00 10.00 C ATOM 1545 O SER B 50 -9.765 -11.442 3.458 1.00 10.00 O ATOM 1546 CB SER B 50 -8.245 -11.094 0.555 1.00 10.00 C ATOM 1547 OG SER B 50 -7.262 -11.959 0.003 1.00 10.00 O ATOM 0 H SER B 50 -6.133 -11.737 2.384 1.00 10.00 H new ATOM 0 HA SER B 50 -8.318 -9.768 2.249 1.00 10.00 H new ATOM 0 HB2 SER B 50 -9.227 -11.559 0.471 1.00 10.00 H new ATOM 0 HB3 SER B 50 -8.280 -10.169 -0.020 1.00 10.00 H new ATOM 0 HG SER B 50 -6.392 -11.507 0.001 1.00 10.00 H new ATOM 1553 N LYS B 51 -8.102 -12.920 3.146 1.00 10.00 N ATOM 1554 CA LYS B 51 -8.708 -13.936 3.993 1.00 10.00 C ATOM 1555 C LYS B 51 -8.365 -13.702 5.458 1.00 10.00 C ATOM 1556 O LYS B 51 -9.252 -13.525 6.292 1.00 10.00 O ATOM 1557 CB LYS B 51 -8.253 -15.336 3.577 1.00 10.00 C ATOM 1558 CG LYS B 51 -8.595 -15.692 2.139 1.00 10.00 C ATOM 1559 CD LYS B 51 -9.015 -17.149 2.013 1.00 10.00 C ATOM 1560 CE LYS B 51 -10.429 -17.367 2.530 1.00 10.00 C ATOM 1561 NZ LYS B 51 -10.834 -18.792 2.452 1.00 10.00 N ATOM 0 H LYS B 51 -7.207 -13.189 2.737 1.00 10.00 H new ATOM 0 HA LYS B 51 -9.788 -13.863 3.869 1.00 10.00 H new ATOM 0 HB2 LYS B 51 -7.174 -15.412 3.713 1.00 10.00 H new ATOM 0 HB3 LYS B 51 -8.711 -16.069 4.241 1.00 10.00 H new ATOM 0 HG2 LYS B 51 -9.400 -15.048 1.785 1.00 10.00 H new ATOM 0 HG3 LYS B 51 -7.732 -15.504 1.501 1.00 10.00 H new ATOM 0 HD2 LYS B 51 -8.956 -17.457 0.969 1.00 10.00 H new ATOM 0 HD3 LYS B 51 -8.321 -17.778 2.570 1.00 10.00 H new ATOM 0 HE2 LYS B 51 -10.494 -17.027 3.564 1.00 10.00 H new ATOM 0 HE3 LYS B 51 -11.125 -16.760 1.951 1.00 10.00 H new ATOM 0 HZ1 LYS B 51 -11.803 -18.898 2.814 1.00 10.00 H new ATOM 0 HZ2 LYS B 51 -10.797 -19.110 1.462 1.00 10.00 H new ATOM 0 HZ3 LYS B 51 -10.186 -19.369 3.025 1.00 10.00 H new ATOM 1575 N HIS B 52 -7.073 -13.703 5.768 1.00 10.00 N ATOM 1576 CA HIS B 52 -6.625 -13.501 7.135 1.00 10.00 C ATOM 1577 C HIS B 52 -5.175 -13.039 7.162 1.00 10.00 C ATOM 1578 O HIS B 52 -4.914 -11.913 7.633 1.00 10.00 O ATOM 1579 CB HIS B 52 -6.777 -14.793 7.943 1.00 10.00 C ATOM 1580 CG HIS B 52 -7.031 -14.556 9.397 1.00 10.00 C ATOM 1581 ND1 HIS B 52 -6.043 -14.594 10.357 1.00 10.00 N ATOM 1582 CD2 HIS B 52 -8.180 -14.269 10.053 1.00 10.00 C ATOM 1583 CE1 HIS B 52 -6.576 -14.342 11.540 1.00 10.00 C ATOM 1584 NE2 HIS B 52 -7.870 -14.140 11.384 1.00 10.00 N ATOM 1585 OXT HIS B 52 -4.303 -13.811 6.718 1.00 10.00 O ATOM 0 H HIS B 52 -6.322 -13.841 5.092 1.00 10.00 H new ATOM 0 HA HIS B 52 -7.246 -12.727 7.586 1.00 10.00 H new ATOM 0 HB2 HIS B 52 -7.598 -15.378 7.529 1.00 10.00 H new ATOM 0 HB3 HIS B 52 -5.872 -15.391 7.832 1.00 10.00 H new ATOM 0 HD2 HIS B 52 -9.159 -14.161 9.611 1.00 10.00 H new ATOM 0 HE1 HIS B 52 -6.041 -14.307 12.478 1.00 10.00 H new ATOM 0 HE2 HIS B 52 -8.531 -13.924 12.130 1.00 10.00 H new TER 1594 HIS B 52