USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 GLN : amide:sc= -1.42! C(o=-4.2!,f=-9.7!) USER MOD Set 1.2: A 36 ASN : amide:sc= -2.83! C(o=-4.2!,f=-11!) USER MOD Single : A 2 ASN : amide:sc=-0.00766 K(o=-0.0077,f=-0.93) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -43:sc= 0.0607 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.159 F(o=-1.7!,f=-0.16) USER MOD Single : A 27 GLN : amide:sc= -2! C(o=-2!,f=-7!) USER MOD Single : A 28 GLN : amide:sc= -1.47 K(o=-1.5,f=-6.3!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 78:sc= 1.3 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0367 F(o=-0.96,f=-0.037) USER MOD Single : A 40 MET CE :methyl 150:sc= -0.0314 (180deg=-1.44) USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0424) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -88:sc= 0.278 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -1.9! (180deg=-2.7!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.109 15.911 8.413 1.00 0.00 N ATOM 2 CA PRO A 1 -2.870 16.748 7.462 1.00 0.00 C ATOM 3 C PRO A 1 -4.356 16.743 7.801 1.00 0.00 C ATOM 4 O PRO A 1 -4.948 15.685 8.022 1.00 0.00 O ATOM 5 CB PRO A 1 -2.654 16.216 6.054 1.00 0.00 C ATOM 6 CG PRO A 1 -1.693 15.091 6.243 1.00 0.00 C ATOM 7 CD PRO A 1 -1.804 14.665 7.690 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.655 15.723 9.254 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.254 16.380 8.711 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.514 17.776 7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.588 15.874 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -2.248 16.983 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.931 14.262 5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.676 15.407 6.009 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.590 13.923 7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.876 14.216 8.045 1.00 0.00 H new ATOM 17 N ASN A 2 -4.951 17.925 7.841 1.00 0.00 N ATOM 18 CA ASN A 2 -6.367 18.068 8.157 1.00 0.00 C ATOM 19 C ASN A 2 -7.144 18.552 6.945 1.00 0.00 C ATOM 20 O ASN A 2 -8.255 18.091 6.679 1.00 0.00 O ATOM 21 CB ASN A 2 -6.564 19.059 9.310 1.00 0.00 C ATOM 22 CG ASN A 2 -6.191 18.486 10.662 1.00 0.00 C ATOM 23 OD1 ASN A 2 -6.366 17.293 10.920 1.00 0.00 O ATOM 24 ND2 ASN A 2 -5.667 19.332 11.533 1.00 0.00 N ATOM 0 H ASN A 2 -4.472 18.807 7.657 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.741 17.088 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.963 19.949 9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.606 19.377 9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.391 19.005 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.539 20.312 11.279 1.00 0.00 H new ATOM 31 N ARG A 3 -6.555 19.478 6.206 1.00 0.00 N ATOM 32 CA ARG A 3 -7.237 20.105 5.088 1.00 0.00 C ATOM 33 C ARG A 3 -7.078 19.270 3.823 1.00 0.00 C ATOM 34 O ARG A 3 -6.025 19.294 3.186 1.00 0.00 O ATOM 35 CB ARG A 3 -6.692 21.517 4.870 1.00 0.00 C ATOM 36 CG ARG A 3 -7.569 22.386 3.985 1.00 0.00 C ATOM 37 CD ARG A 3 -7.021 23.799 3.885 1.00 0.00 C ATOM 38 NE ARG A 3 -7.973 24.712 3.259 1.00 0.00 N ATOM 39 CZ ARG A 3 -8.085 26.004 3.576 1.00 0.00 C ATOM 40 NH1 ARG A 3 -7.244 26.549 4.445 1.00 0.00 N ATOM 41 NH2 ARG A 3 -9.022 26.755 3.009 1.00 0.00 N ATOM 0 H ARG A 3 -5.604 19.812 6.362 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.300 20.169 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.574 22.004 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.699 21.448 4.425 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.633 21.947 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.582 22.414 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.772 24.163 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.096 23.789 3.309 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.589 24.340 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.512 25.981 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.330 27.536 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.661 26.345 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.103 27.742 3.255 1.00 0.00 H new ATOM 55 N SER A 4 -8.131 18.530 3.483 1.00 0.00 N ATOM 56 CA SER A 4 -8.146 17.670 2.302 1.00 0.00 C ATOM 57 C SER A 4 -7.068 16.588 2.394 1.00 0.00 C ATOM 58 O SER A 4 -6.107 16.570 1.621 1.00 0.00 O ATOM 59 CB SER A 4 -7.985 18.507 1.027 1.00 0.00 C ATOM 60 OG SER A 4 -9.050 19.438 0.902 1.00 0.00 O ATOM 0 H SER A 4 -8.999 18.510 4.019 1.00 0.00 H new ATOM 0 HA SER A 4 -9.112 17.167 2.258 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.033 19.037 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.963 17.852 0.156 1.00 0.00 H new ATOM 0 HG SER A 4 -8.930 19.964 0.084 1.00 0.00 H new ATOM 66 N ILE A 5 -7.237 15.691 3.359 1.00 0.00 N ATOM 67 CA ILE A 5 -6.319 14.575 3.552 1.00 0.00 C ATOM 68 C ILE A 5 -6.446 13.563 2.408 1.00 0.00 C ATOM 69 O ILE A 5 -7.553 13.258 1.953 1.00 0.00 O ATOM 70 CB ILE A 5 -6.576 13.876 4.916 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.723 12.609 5.064 1.00 0.00 C ATOM 72 CG2 ILE A 5 -8.053 13.549 5.082 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.230 12.867 5.062 1.00 0.00 C ATOM 0 H ILE A 5 -8.009 15.716 4.025 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.304 14.973 3.553 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.283 14.569 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.993 12.108 5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.964 11.924 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.212 13.060 6.043 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.636 14.469 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.371 12.883 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.697 11.922 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.944 13.339 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.973 13.526 5.892 1.00 0.00 H new ATOM 85 N SER A 6 -5.300 13.071 1.944 1.00 0.00 N ATOM 86 CA SER A 6 -5.248 12.066 0.895 1.00 0.00 C ATOM 87 C SER A 6 -6.007 10.818 1.337 1.00 0.00 C ATOM 88 O SER A 6 -5.797 10.330 2.443 1.00 0.00 O ATOM 89 CB SER A 6 -3.789 11.727 0.581 1.00 0.00 C ATOM 90 OG SER A 6 -3.054 12.906 0.280 1.00 0.00 O ATOM 0 H SER A 6 -4.384 13.360 2.287 1.00 0.00 H new ATOM 0 HA SER A 6 -5.719 12.456 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.337 11.218 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.744 11.039 -0.263 1.00 0.00 H new ATOM 0 HG SER A 6 -2.123 12.670 0.084 1.00 0.00 H new ATOM 96 N PRO A 7 -6.885 10.314 0.444 1.00 0.00 N ATOM 97 CA PRO A 7 -7.875 9.258 0.689 1.00 0.00 C ATOM 98 C PRO A 7 -7.603 8.320 1.863 1.00 0.00 C ATOM 99 O PRO A 7 -7.225 7.166 1.676 1.00 0.00 O ATOM 100 CB PRO A 7 -7.835 8.502 -0.629 1.00 0.00 C ATOM 101 CG PRO A 7 -7.591 9.554 -1.665 1.00 0.00 C ATOM 102 CD PRO A 7 -6.967 10.742 -0.961 1.00 0.00 C ATOM 0 HA PRO A 7 -8.835 9.686 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.043 7.753 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.772 7.976 -0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -6.929 9.179 -2.446 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.525 9.841 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.982 10.975 -1.366 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.577 11.638 -1.071 1.00 0.00 H new ATOM 110 N SER A 8 -7.858 8.814 3.070 1.00 0.00 N ATOM 111 CA SER A 8 -7.865 7.975 4.253 1.00 0.00 C ATOM 112 C SER A 8 -9.194 7.240 4.287 1.00 0.00 C ATOM 113 O SER A 8 -9.352 6.214 4.950 1.00 0.00 O ATOM 114 CB SER A 8 -7.677 8.814 5.521 1.00 0.00 C ATOM 115 OG SER A 8 -7.540 7.993 6.671 1.00 0.00 O ATOM 0 H SER A 8 -8.063 9.797 3.250 1.00 0.00 H new ATOM 0 HA SER A 8 -7.039 7.265 4.215 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.794 9.444 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.530 9.480 5.648 1.00 0.00 H new ATOM 0 HG SER A 8 -7.420 8.557 7.463 1.00 0.00 H new ATOM 121 N ALA A 9 -10.143 7.799 3.549 1.00 0.00 N ATOM 122 CA ALA A 9 -11.427 7.166 3.317 1.00 0.00 C ATOM 123 C ALA A 9 -11.227 5.845 2.581 1.00 0.00 C ATOM 124 O ALA A 9 -11.856 4.838 2.892 1.00 0.00 O ATOM 125 CB ALA A 9 -12.310 8.099 2.507 1.00 0.00 C ATOM 0 H ALA A 9 -10.041 8.706 3.095 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.912 6.960 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.276 7.625 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.457 9.029 3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.832 8.314 1.551 1.00 0.00 H new ATOM 131 N LEU A 10 -10.340 5.869 1.593 1.00 0.00 N ATOM 132 CA LEU A 10 -9.962 4.666 0.873 1.00 0.00 C ATOM 133 C LEU A 10 -9.111 3.765 1.761 1.00 0.00 C ATOM 134 O LEU A 10 -9.240 2.547 1.726 1.00 0.00 O ATOM 135 CB LEU A 10 -9.224 5.014 -0.420 1.00 0.00 C ATOM 136 CG LEU A 10 -10.068 5.741 -1.470 1.00 0.00 C ATOM 137 CD1 LEU A 10 -9.228 6.060 -2.695 1.00 0.00 C ATOM 138 CD2 LEU A 10 -11.275 4.899 -1.857 1.00 0.00 C ATOM 0 H LEU A 10 -9.869 6.715 1.273 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.869 4.125 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.363 5.636 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.838 4.094 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.424 6.678 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.842 6.577 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.392 6.698 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.846 5.134 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.865 5.430 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.938 3.948 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.888 4.715 -0.975 1.00 0.00 H new ATOM 150 N GLN A 11 -8.273 4.372 2.595 1.00 0.00 N ATOM 151 CA GLN A 11 -7.437 3.608 3.529 1.00 0.00 C ATOM 152 C GLN A 11 -8.310 2.693 4.392 1.00 0.00 C ATOM 153 O GLN A 11 -7.903 1.601 4.788 1.00 0.00 O ATOM 154 CB GLN A 11 -6.640 4.546 4.445 1.00 0.00 C ATOM 155 CG GLN A 11 -5.634 5.439 3.729 1.00 0.00 C ATOM 156 CD GLN A 11 -4.531 4.656 3.051 1.00 0.00 C ATOM 157 OE1 GLN A 11 -3.518 4.336 3.669 1.00 0.00 O ATOM 158 NE2 GLN A 11 -4.703 4.363 1.773 1.00 0.00 N ATOM 0 H GLN A 11 -8.151 5.383 2.647 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.742 3.009 2.941 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.340 5.178 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.109 3.945 5.183 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.155 6.042 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.193 6.130 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.559 4.646 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.980 3.854 1.265 1.00 0.00 H new ATOM 167 N ASP A 12 -9.512 3.165 4.667 1.00 0.00 N ATOM 168 CA ASP A 12 -10.467 2.475 5.527 1.00 0.00 C ATOM 169 C ASP A 12 -10.866 1.124 5.000 1.00 0.00 C ATOM 170 O ASP A 12 -10.863 0.134 5.728 1.00 0.00 O ATOM 171 CB ASP A 12 -11.727 3.306 5.562 1.00 0.00 C ATOM 172 CG ASP A 12 -12.506 3.154 6.852 1.00 0.00 C ATOM 173 OD1 ASP A 12 -12.105 3.750 7.871 1.00 0.00 O ATOM 174 OD2 ASP A 12 -13.537 2.452 6.849 1.00 0.00 O ATOM 0 H ASP A 12 -9.861 4.049 4.297 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.994 2.342 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.466 4.355 5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.365 3.023 4.724 1.00 0.00 H new ATOM 179 N LEU A 13 -11.232 1.088 3.745 1.00 0.00 N ATOM 180 CA LEU A 13 -11.691 -0.137 3.152 1.00 0.00 C ATOM 181 C LEU A 13 -10.514 -1.078 2.940 1.00 0.00 C ATOM 182 O LEU A 13 -10.654 -2.267 3.117 1.00 0.00 O ATOM 183 CB LEU A 13 -12.481 0.127 1.874 1.00 0.00 C ATOM 184 CG LEU A 13 -13.590 1.173 2.008 1.00 0.00 C ATOM 185 CD1 LEU A 13 -14.214 1.466 0.653 1.00 0.00 C ATOM 186 CD2 LEU A 13 -14.649 0.708 2.997 1.00 0.00 C ATOM 0 H LEU A 13 -11.221 1.892 3.117 1.00 0.00 H new ATOM 0 HA LEU A 13 -12.385 -0.629 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.789 0.450 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.924 -0.810 1.538 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.149 2.094 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.000 2.212 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -13.450 1.846 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -14.640 0.550 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.429 1.465 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -15.087 -0.227 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.191 0.552 3.974 1.00 0.00 H new ATOM 198 N LEU A 14 -9.349 -0.525 2.579 1.00 0.00 N ATOM 199 CA LEU A 14 -8.126 -1.322 2.375 1.00 0.00 C ATOM 200 C LEU A 14 -7.795 -2.122 3.633 1.00 0.00 C ATOM 201 O LEU A 14 -7.238 -3.217 3.562 1.00 0.00 O ATOM 202 CB LEU A 14 -6.948 -0.432 1.932 1.00 0.00 C ATOM 203 CG LEU A 14 -5.970 0.058 3.011 1.00 0.00 C ATOM 204 CD1 LEU A 14 -4.959 -1.019 3.381 1.00 0.00 C ATOM 205 CD2 LEU A 14 -5.240 1.296 2.522 1.00 0.00 C ATOM 0 H LEU A 14 -9.225 0.475 2.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.307 -2.032 1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.375 -0.983 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.361 0.444 1.432 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.550 0.298 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.284 -0.637 4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.484 -1.894 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.385 -1.298 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.548 1.638 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.684 1.056 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.962 2.083 2.307 1.00 0.00 H new ATOM 217 N ARG A 15 -8.159 -1.554 4.776 1.00 0.00 N ATOM 218 CA ARG A 15 -8.044 -2.219 6.082 1.00 0.00 C ATOM 219 C ARG A 15 -8.650 -3.614 6.047 1.00 0.00 C ATOM 220 O ARG A 15 -8.304 -4.485 6.841 1.00 0.00 O ATOM 221 CB ARG A 15 -8.763 -1.419 7.151 1.00 0.00 C ATOM 222 CG ARG A 15 -8.015 -0.185 7.596 1.00 0.00 C ATOM 223 CD ARG A 15 -8.733 0.507 8.744 1.00 0.00 C ATOM 224 NE ARG A 15 -8.970 -0.400 9.868 1.00 0.00 N ATOM 225 CZ ARG A 15 -9.560 -0.041 11.009 1.00 0.00 C ATOM 226 NH1 ARG A 15 -9.989 1.205 11.180 1.00 0.00 N ATOM 227 NH2 ARG A 15 -9.726 -0.936 11.976 1.00 0.00 N ATOM 0 H ARG A 15 -8.546 -0.612 4.830 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.981 -2.289 6.313 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.742 -1.123 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.936 -2.059 8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.007 -0.459 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.914 0.505 6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.140 1.357 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.685 0.903 8.390 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.664 -1.368 9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.868 1.893 10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.440 1.474 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.403 -1.894 11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.177 -0.665 12.850 1.00 0.00 H new ATOM 241 N THR A 16 -9.544 -3.788 5.103 1.00 0.00 N ATOM 242 CA THR A 16 -10.266 -5.041 4.892 1.00 0.00 C ATOM 243 C THR A 16 -9.297 -6.228 4.787 1.00 0.00 C ATOM 244 O THR A 16 -9.638 -7.350 5.169 1.00 0.00 O ATOM 245 CB THR A 16 -11.116 -4.969 3.595 1.00 0.00 C ATOM 246 OG1 THR A 16 -12.033 -6.070 3.530 1.00 0.00 O ATOM 247 CG2 THR A 16 -10.220 -4.978 2.363 1.00 0.00 C ATOM 0 H THR A 16 -9.802 -3.055 4.442 1.00 0.00 H new ATOM 0 HA THR A 16 -10.920 -5.189 5.752 1.00 0.00 H new ATOM 0 HB THR A 16 -11.680 -4.037 3.616 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.561 -6.008 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.836 -4.927 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.551 -4.118 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.632 -5.895 2.348 1.00 0.00 H new ATOM 255 N LEU A 17 -8.100 -5.973 4.263 1.00 0.00 N ATOM 256 CA LEU A 17 -7.111 -7.018 4.019 1.00 0.00 C ATOM 257 C LEU A 17 -6.716 -7.751 5.305 1.00 0.00 C ATOM 258 O LEU A 17 -6.191 -8.861 5.249 1.00 0.00 O ATOM 259 CB LEU A 17 -5.870 -6.407 3.345 1.00 0.00 C ATOM 260 CG LEU A 17 -4.922 -5.590 4.244 1.00 0.00 C ATOM 261 CD1 LEU A 17 -3.896 -6.483 4.931 1.00 0.00 C ATOM 262 CD2 LEU A 17 -4.212 -4.520 3.430 1.00 0.00 C ATOM 0 H LEU A 17 -7.790 -5.039 3.997 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.561 -7.757 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.296 -7.216 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.207 -5.763 2.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.528 -5.114 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.244 -5.873 5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.410 -7.218 5.550 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.299 -6.997 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.546 -3.951 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.631 -4.991 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.949 -3.849 2.989 1.00 0.00 H new ATOM 274 N LYS A 18 -6.981 -7.140 6.459 1.00 0.00 N ATOM 275 CA LYS A 18 -6.618 -7.742 7.739 1.00 0.00 C ATOM 276 C LYS A 18 -7.492 -8.956 8.046 1.00 0.00 C ATOM 277 O LYS A 18 -7.258 -9.673 9.018 1.00 0.00 O ATOM 278 CB LYS A 18 -6.719 -6.714 8.871 1.00 0.00 C ATOM 279 CG LYS A 18 -5.742 -5.556 8.731 1.00 0.00 C ATOM 280 CD LYS A 18 -4.299 -6.040 8.653 1.00 0.00 C ATOM 281 CE LYS A 18 -3.871 -6.764 9.923 1.00 0.00 C ATOM 282 NZ LYS A 18 -2.465 -7.244 9.843 1.00 0.00 N ATOM 0 H LYS A 18 -7.443 -6.234 6.533 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.584 -8.078 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.735 -6.320 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.542 -7.215 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.982 -4.984 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.854 -4.881 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.186 -6.708 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.640 -5.189 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.977 -6.094 10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.534 -7.611 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.214 -7.731 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.368 -7.904 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.829 -6.433 9.701 1.00 0.00 H new ATOM 296 N SER A 19 -8.513 -9.170 7.228 1.00 0.00 N ATOM 297 CA SER A 19 -9.305 -10.384 7.302 1.00 0.00 C ATOM 298 C SER A 19 -8.888 -11.329 6.176 1.00 0.00 C ATOM 299 O SER A 19 -9.288 -11.156 5.022 1.00 0.00 O ATOM 300 CB SER A 19 -10.800 -10.056 7.201 1.00 0.00 C ATOM 301 OG SER A 19 -11.601 -11.214 7.398 1.00 0.00 O ATOM 0 H SER A 19 -8.811 -8.515 6.505 1.00 0.00 H new ATOM 0 HA SER A 19 -9.130 -10.870 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.059 -9.302 7.944 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.014 -9.626 6.223 1.00 0.00 H new ATOM 0 HG SER A 19 -12.548 -10.972 7.329 1.00 0.00 H new ATOM 307 N PRO A 20 -8.066 -12.338 6.491 1.00 0.00 N ATOM 308 CA PRO A 20 -7.545 -13.272 5.500 1.00 0.00 C ATOM 309 C PRO A 20 -8.482 -14.446 5.258 1.00 0.00 C ATOM 310 O PRO A 20 -8.063 -15.501 4.784 1.00 0.00 O ATOM 311 CB PRO A 20 -6.245 -13.743 6.138 1.00 0.00 C ATOM 312 CG PRO A 20 -6.506 -13.702 7.608 1.00 0.00 C ATOM 313 CD PRO A 20 -7.556 -12.640 7.840 1.00 0.00 C ATOM 0 HA PRO A 20 -7.420 -12.812 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.985 -14.750 5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.413 -13.094 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.852 -14.672 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -5.593 -13.468 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.349 -13.000 8.495 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.130 -11.755 8.313 1.00 0.00 H new ATOM 321 N SER A 21 -9.749 -14.255 5.590 1.00 0.00 N ATOM 322 CA SER A 21 -10.760 -15.273 5.365 1.00 0.00 C ATOM 323 C SER A 21 -11.438 -15.029 4.022 1.00 0.00 C ATOM 324 O SER A 21 -12.196 -15.865 3.527 1.00 0.00 O ATOM 325 CB SER A 21 -11.792 -15.251 6.502 1.00 0.00 C ATOM 326 OG SER A 21 -12.663 -16.366 6.426 1.00 0.00 O ATOM 0 H SER A 21 -10.102 -13.399 6.018 1.00 0.00 H new ATOM 0 HA SER A 21 -10.288 -16.255 5.349 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.278 -15.253 7.463 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.372 -14.329 6.452 1.00 0.00 H new ATOM 0 HG SER A 21 -12.934 -16.506 5.495 1.00 0.00 H new ATOM 332 N SER A 22 -11.140 -13.884 3.425 1.00 0.00 N ATOM 333 CA SER A 22 -11.781 -13.481 2.190 1.00 0.00 C ATOM 334 C SER A 22 -10.760 -13.017 1.153 1.00 0.00 C ATOM 335 O SER A 22 -9.751 -12.389 1.487 1.00 0.00 O ATOM 336 CB SER A 22 -12.788 -12.365 2.479 1.00 0.00 C ATOM 337 OG SER A 22 -13.731 -12.772 3.456 1.00 0.00 O ATOM 0 H SER A 22 -10.455 -13.218 3.781 1.00 0.00 H new ATOM 0 HA SER A 22 -12.300 -14.345 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.261 -11.476 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.306 -12.091 1.560 1.00 0.00 H new ATOM 0 HG SER A 22 -14.363 -12.042 3.625 1.00 0.00 H new ATOM 343 N PRO A 23 -11.031 -13.344 -0.129 1.00 0.00 N ATOM 344 CA PRO A 23 -10.219 -12.932 -1.291 1.00 0.00 C ATOM 345 C PRO A 23 -10.052 -11.416 -1.392 1.00 0.00 C ATOM 346 O PRO A 23 -9.167 -10.926 -2.099 1.00 0.00 O ATOM 347 CB PRO A 23 -10.999 -13.467 -2.502 1.00 0.00 C ATOM 348 CG PRO A 23 -12.361 -13.777 -1.989 1.00 0.00 C ATOM 349 CD PRO A 23 -12.176 -14.171 -0.556 1.00 0.00 C ATOM 0 HA PRO A 23 -9.204 -13.322 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.039 -12.727 -3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.523 -14.356 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.018 -12.911 -2.075 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.820 -14.584 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -13.067 -13.964 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.965 -15.236 -0.454 1.00 0.00 H new ATOM 357 N GLN A 24 -10.911 -10.687 -0.680 1.00 0.00 N ATOM 358 CA GLN A 24 -10.986 -9.227 -0.780 1.00 0.00 C ATOM 359 C GLN A 24 -9.646 -8.588 -0.423 1.00 0.00 C ATOM 360 O GLN A 24 -9.342 -7.478 -0.862 1.00 0.00 O ATOM 361 CB GLN A 24 -12.051 -8.676 0.176 1.00 0.00 C ATOM 362 CG GLN A 24 -13.405 -9.361 0.083 1.00 0.00 C ATOM 363 CD GLN A 24 -14.045 -9.233 -1.282 1.00 0.00 C ATOM 364 OE1 GLN A 24 -13.813 -8.269 -2.011 1.00 0.00 O ATOM 365 NE2 GLN A 24 -14.886 -10.195 -1.621 1.00 0.00 N ATOM 0 H GLN A 24 -11.574 -11.090 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.247 -8.984 -1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.683 -8.766 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.183 -7.612 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.288 -10.417 0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.073 -8.935 0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.049 -10.977 -0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.372 -10.156 -2.517 1.00 0.00 H new ATOM 374 N GLN A 25 -8.850 -9.311 0.361 1.00 0.00 N ATOM 375 CA GLN A 25 -7.556 -8.823 0.819 1.00 0.00 C ATOM 376 C GLN A 25 -6.663 -8.408 -0.347 1.00 0.00 C ATOM 377 O GLN A 25 -6.195 -7.277 -0.403 1.00 0.00 O ATOM 378 CB GLN A 25 -6.854 -9.907 1.645 1.00 0.00 C ATOM 379 CG GLN A 25 -5.404 -9.580 1.973 1.00 0.00 C ATOM 380 CD GLN A 25 -4.717 -10.679 2.756 1.00 0.00 C ATOM 381 OE1 GLN A 25 -5.470 -11.364 3.600 1.00 0.00 O flip ATOM 382 NE2 GLN A 25 -3.513 -10.895 2.620 1.00 0.00 N flip ATOM 0 H GLN A 25 -9.084 -10.246 0.694 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.733 -7.942 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.403 -10.056 2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.890 -10.849 1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.857 -9.404 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.366 -8.654 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.968 -10.344 1.958 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.061 -11.625 3.170 1.00 0.00 H new ATOM 391 N GLN A 26 -6.421 -9.316 -1.279 1.00 0.00 N ATOM 392 CA GLN A 26 -5.513 -9.016 -2.377 1.00 0.00 C ATOM 393 C GLN A 26 -6.160 -8.119 -3.432 1.00 0.00 C ATOM 394 O GLN A 26 -5.590 -7.098 -3.825 1.00 0.00 O ATOM 395 CB GLN A 26 -4.994 -10.307 -3.024 1.00 0.00 C ATOM 396 CG GLN A 26 -6.085 -11.254 -3.503 1.00 0.00 C ATOM 397 CD GLN A 26 -5.553 -12.331 -4.429 1.00 0.00 C ATOM 398 OE1 GLN A 26 -4.536 -11.990 -5.208 1.00 0.00 O flip ATOM 399 NE2 GLN A 26 -6.070 -13.448 -4.466 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.831 -10.250 -1.300 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.671 -8.469 -1.952 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.360 -10.045 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.365 -10.832 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.559 -11.722 -2.641 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.856 -10.683 -4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.851 -13.669 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.717 -14.152 -5.114 1.00 0.00 H new ATOM 408 N GLN A 27 -7.347 -8.497 -3.886 1.00 0.00 N ATOM 409 CA GLN A 27 -7.959 -7.845 -5.036 1.00 0.00 C ATOM 410 C GLN A 27 -8.435 -6.424 -4.728 1.00 0.00 C ATOM 411 O GLN A 27 -8.043 -5.474 -5.408 1.00 0.00 O ATOM 412 CB GLN A 27 -9.121 -8.683 -5.571 1.00 0.00 C ATOM 413 CG GLN A 27 -9.489 -8.359 -7.014 1.00 0.00 C ATOM 414 CD GLN A 27 -8.375 -8.695 -7.997 1.00 0.00 C ATOM 415 OE1 GLN A 27 -7.190 -8.645 -7.665 1.00 0.00 O ATOM 416 NE2 GLN A 27 -8.747 -9.045 -9.217 1.00 0.00 N ATOM 0 H GLN A 27 -7.903 -9.248 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.184 -7.766 -5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.861 -9.739 -5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.994 -8.526 -4.937 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.388 -8.912 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.730 -7.299 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.737 -9.076 -9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.043 -9.284 -9.916 1.00 0.00 H new ATOM 425 N GLN A 28 -9.253 -6.278 -3.690 1.00 0.00 N ATOM 426 CA GLN A 28 -9.917 -5.005 -3.418 1.00 0.00 C ATOM 427 C GLN A 28 -8.934 -3.955 -2.916 1.00 0.00 C ATOM 428 O GLN A 28 -9.021 -2.780 -3.285 1.00 0.00 O ATOM 429 CB GLN A 28 -11.056 -5.190 -2.408 1.00 0.00 C ATOM 430 CG GLN A 28 -11.864 -3.920 -2.154 1.00 0.00 C ATOM 431 CD GLN A 28 -12.650 -3.453 -3.372 1.00 0.00 C ATOM 432 OE1 GLN A 28 -12.260 -3.688 -4.518 1.00 0.00 O ATOM 433 NE2 GLN A 28 -13.762 -2.775 -3.132 1.00 0.00 N ATOM 0 H GLN A 28 -9.472 -7.020 -3.026 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.336 -4.650 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -11.726 -5.970 -2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -10.639 -5.540 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.555 -4.096 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.188 -3.125 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.055 -2.599 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.326 -2.429 -3.908 1.00 0.00 H new ATOM 442 N VAL A 29 -7.995 -4.378 -2.086 1.00 0.00 N ATOM 443 CA VAL A 29 -7.014 -3.462 -1.523 1.00 0.00 C ATOM 444 C VAL A 29 -6.115 -2.888 -2.611 1.00 0.00 C ATOM 445 O VAL A 29 -5.757 -1.716 -2.565 1.00 0.00 O ATOM 446 CB VAL A 29 -6.165 -4.141 -0.435 1.00 0.00 C ATOM 447 CG1 VAL A 29 -5.112 -3.193 0.111 1.00 0.00 C ATOM 448 CG2 VAL A 29 -7.061 -4.619 0.685 1.00 0.00 C ATOM 0 H VAL A 29 -7.890 -5.348 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.566 -2.644 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.652 -4.993 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.528 -3.701 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.453 -2.877 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.599 -2.319 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.457 -5.100 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.589 -3.769 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.784 -5.334 0.292 1.00 0.00 H new ATOM 458 N LEU A 30 -5.777 -3.708 -3.600 1.00 0.00 N ATOM 459 CA LEU A 30 -4.997 -3.241 -4.742 1.00 0.00 C ATOM 460 C LEU A 30 -5.757 -2.150 -5.491 1.00 0.00 C ATOM 461 O LEU A 30 -5.173 -1.162 -5.941 1.00 0.00 O ATOM 462 CB LEU A 30 -4.684 -4.407 -5.685 1.00 0.00 C ATOM 463 CG LEU A 30 -3.929 -4.036 -6.967 1.00 0.00 C ATOM 464 CD1 LEU A 30 -2.522 -3.554 -6.648 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.885 -5.220 -7.924 1.00 0.00 C ATOM 0 H LEU A 30 -6.029 -4.696 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.058 -2.826 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.096 -5.145 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.622 -4.888 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.465 -3.220 -7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.007 -3.297 -7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.575 -2.675 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.974 -4.345 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.345 -4.937 -8.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.377 -6.057 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.901 -5.514 -8.185 1.00 0.00 H new ATOM 477 N ASN A 31 -7.066 -2.336 -5.606 1.00 0.00 N ATOM 478 CA ASN A 31 -7.926 -1.372 -6.281 1.00 0.00 C ATOM 479 C ASN A 31 -7.992 -0.068 -5.489 1.00 0.00 C ATOM 480 O ASN A 31 -7.892 1.021 -6.057 1.00 0.00 O ATOM 481 CB ASN A 31 -9.332 -1.957 -6.464 1.00 0.00 C ATOM 482 CG ASN A 31 -10.285 -1.027 -7.193 1.00 0.00 C ATOM 483 OD1 ASN A 31 -9.882 -0.241 -8.051 1.00 0.00 O ATOM 484 ND2 ASN A 31 -11.563 -1.121 -6.860 1.00 0.00 N ATOM 0 H ASN A 31 -7.558 -3.151 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.505 -1.157 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.258 -2.894 -7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.748 -2.196 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.255 -0.529 -7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.856 -1.785 -6.144 1.00 0.00 H new ATOM 491 N ILE A 32 -8.158 -0.180 -4.175 1.00 0.00 N ATOM 492 CA ILE A 32 -8.106 0.989 -3.305 1.00 0.00 C ATOM 493 C ILE A 32 -6.748 1.672 -3.421 1.00 0.00 C ATOM 494 O ILE A 32 -6.657 2.890 -3.570 1.00 0.00 O ATOM 495 CB ILE A 32 -8.356 0.622 -1.822 1.00 0.00 C ATOM 496 CG1 ILE A 32 -9.844 0.366 -1.562 1.00 0.00 C ATOM 497 CG2 ILE A 32 -7.829 1.704 -0.901 1.00 0.00 C ATOM 498 CD1 ILE A 32 -10.276 0.635 -0.131 1.00 0.00 C ATOM 0 H ILE A 32 -8.329 -1.062 -3.692 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.898 1.663 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.813 -0.299 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.433 0.993 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.073 -0.670 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.017 1.423 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.757 1.823 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.334 2.645 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.342 0.431 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.716 -0.010 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.081 1.678 0.118 1.00 0.00 H new ATOM 510 N LEU A 33 -5.706 0.857 -3.384 1.00 0.00 N ATOM 511 CA LEU A 33 -4.336 1.335 -3.347 1.00 0.00 C ATOM 512 C LEU A 33 -4.009 2.194 -4.566 1.00 0.00 C ATOM 513 O LEU A 33 -3.427 3.268 -4.433 1.00 0.00 O ATOM 514 CB LEU A 33 -3.389 0.138 -3.245 1.00 0.00 C ATOM 515 CG LEU A 33 -2.133 0.360 -2.400 1.00 0.00 C ATOM 516 CD1 LEU A 33 -2.400 1.364 -1.290 1.00 0.00 C ATOM 517 CD2 LEU A 33 -1.668 -0.961 -1.809 1.00 0.00 C ATOM 0 H LEU A 33 -5.789 -0.160 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.208 1.970 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.941 -0.705 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.083 -0.147 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.350 0.761 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.493 1.506 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.703 2.316 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.196 0.991 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.773 -0.796 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.456 -1.376 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.441 -1.660 -2.614 1.00 0.00 H new ATOM 529 N LYS A 34 -4.409 1.742 -5.748 1.00 0.00 N ATOM 530 CA LYS A 34 -4.170 2.507 -6.968 1.00 0.00 C ATOM 531 C LYS A 34 -5.038 3.765 -7.004 1.00 0.00 C ATOM 532 O LYS A 34 -4.690 4.751 -7.655 1.00 0.00 O ATOM 533 CB LYS A 34 -4.407 1.648 -8.215 1.00 0.00 C ATOM 534 CG LYS A 34 -5.789 1.024 -8.289 1.00 0.00 C ATOM 535 CD LYS A 34 -5.957 0.185 -9.545 1.00 0.00 C ATOM 536 CE LYS A 34 -4.899 -0.906 -9.636 1.00 0.00 C ATOM 537 NZ LYS A 34 -5.039 -1.715 -10.875 1.00 0.00 N ATOM 0 H LYS A 34 -4.897 0.857 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.125 2.816 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.251 2.263 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.661 0.854 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.955 0.401 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.545 1.809 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.949 -0.268 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.895 0.827 -10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.908 -0.453 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.975 -1.559 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.300 -2.446 -10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.975 -2.168 -10.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.941 -1.097 -11.706 1.00 0.00 H new ATOM 551 N SER A 35 -6.171 3.723 -6.311 1.00 0.00 N ATOM 552 CA SER A 35 -7.075 4.865 -6.252 1.00 0.00 C ATOM 553 C SER A 35 -6.510 5.968 -5.350 1.00 0.00 C ATOM 554 O SER A 35 -6.785 7.151 -5.560 1.00 0.00 O ATOM 555 CB SER A 35 -8.457 4.420 -5.766 1.00 0.00 C ATOM 556 OG SER A 35 -9.001 3.417 -6.617 1.00 0.00 O ATOM 0 H SER A 35 -6.485 2.909 -5.782 1.00 0.00 H new ATOM 0 HA SER A 35 -7.175 5.276 -7.256 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.382 4.036 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.129 5.278 -5.735 1.00 0.00 H new ATOM 0 HG SER A 35 -8.579 2.555 -6.418 1.00 0.00 H new ATOM 562 N ASN A 36 -5.719 5.583 -4.347 1.00 0.00 N ATOM 563 CA ASN A 36 -5.024 6.563 -3.508 1.00 0.00 C ATOM 564 C ASN A 36 -3.509 6.503 -3.745 1.00 0.00 C ATOM 565 O ASN A 36 -2.770 5.812 -3.042 1.00 0.00 O ATOM 566 CB ASN A 36 -5.392 6.409 -2.010 1.00 0.00 C ATOM 567 CG ASN A 36 -5.360 4.984 -1.457 1.00 0.00 C ATOM 568 OD1 ASN A 36 -6.155 4.641 -0.586 1.00 0.00 O ATOM 569 ND2 ASN A 36 -4.438 4.160 -1.915 1.00 0.00 N ATOM 0 H ASN A 36 -5.544 4.610 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.363 7.556 -3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.707 7.021 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.392 6.814 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.373 3.212 -1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.790 4.471 -2.639 1.00 0.00 H new ATOM 576 N PRO A 37 -3.035 7.257 -4.755 1.00 0.00 N ATOM 577 CA PRO A 37 -1.642 7.200 -5.231 1.00 0.00 C ATOM 578 C PRO A 37 -0.595 7.422 -4.145 1.00 0.00 C ATOM 579 O PRO A 37 0.483 6.844 -4.212 1.00 0.00 O ATOM 580 CB PRO A 37 -1.569 8.323 -6.267 1.00 0.00 C ATOM 581 CG PRO A 37 -2.970 8.507 -6.725 1.00 0.00 C ATOM 582 CD PRO A 37 -3.827 8.235 -5.524 1.00 0.00 C ATOM 0 HA PRO A 37 -1.414 6.207 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.172 9.239 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.914 8.055 -7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.130 9.518 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.209 7.823 -7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.013 9.142 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.799 7.832 -5.807 1.00 0.00 H new ATOM 590 N GLN A 38 -0.906 8.250 -3.153 1.00 0.00 N ATOM 591 CA GLN A 38 0.052 8.567 -2.095 1.00 0.00 C ATOM 592 C GLN A 38 0.497 7.309 -1.349 1.00 0.00 C ATOM 593 O GLN A 38 1.690 7.087 -1.146 1.00 0.00 O ATOM 594 CB GLN A 38 -0.547 9.567 -1.106 1.00 0.00 C ATOM 595 CG GLN A 38 0.435 10.025 -0.041 1.00 0.00 C ATOM 596 CD GLN A 38 1.606 10.811 -0.609 1.00 0.00 C ATOM 597 OE1 GLN A 38 1.364 11.572 -1.666 1.00 0.00 O flip ATOM 598 NE2 GLN A 38 2.717 10.755 -0.081 1.00 0.00 N flip ATOM 0 H GLN A 38 -1.810 8.713 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 38 0.926 9.013 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.908 10.437 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.412 9.114 -0.621 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.090 10.642 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.815 9.154 0.494 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.866 10.157 0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.489 11.306 -0.457 1.00 0.00 H new ATOM 607 N LEU A 39 -0.459 6.481 -0.956 1.00 0.00 N ATOM 608 CA LEU A 39 -0.138 5.262 -0.227 1.00 0.00 C ATOM 609 C LEU A 39 0.421 4.224 -1.196 1.00 0.00 C ATOM 610 O LEU A 39 1.328 3.467 -0.859 1.00 0.00 O ATOM 611 CB LEU A 39 -1.382 4.728 0.499 1.00 0.00 C ATOM 612 CG LEU A 39 -1.121 3.922 1.784 1.00 0.00 C ATOM 613 CD1 LEU A 39 -0.494 2.571 1.483 1.00 0.00 C ATOM 614 CD2 LEU A 39 -0.240 4.713 2.737 1.00 0.00 C ATOM 0 H LEU A 39 -1.454 6.628 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 39 0.618 5.479 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.023 5.573 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.940 4.098 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.085 3.740 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.325 2.032 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.164 1.993 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.457 2.717 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.065 4.129 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.713 4.931 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.735 5.648 3.000 1.00 0.00 H new ATOM 626 N MET A 40 -0.112 4.221 -2.413 1.00 0.00 N ATOM 627 CA MET A 40 0.362 3.326 -3.463 1.00 0.00 C ATOM 628 C MET A 40 1.832 3.593 -3.744 1.00 0.00 C ATOM 629 O MET A 40 2.612 2.676 -3.990 1.00 0.00 O ATOM 630 CB MET A 40 -0.461 3.538 -4.730 1.00 0.00 C ATOM 631 CG MET A 40 -0.339 2.420 -5.755 1.00 0.00 C ATOM 632 SD MET A 40 -0.526 0.784 -5.023 1.00 0.00 S ATOM 633 CE MET A 40 -1.168 -0.162 -6.402 1.00 0.00 C ATOM 0 H MET A 40 -0.877 4.832 -2.698 1.00 0.00 H new ATOM 0 HA MET A 40 0.248 2.293 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.510 3.647 -4.453 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.155 4.475 -5.195 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.095 2.557 -6.528 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.633 2.486 -6.245 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.847 -1.200 -6.312 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.257 -0.117 -6.398 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.791 0.255 -7.336 1.00 0.00 H new ATOM 643 N ALA A 41 2.194 4.869 -3.683 1.00 0.00 N ATOM 644 CA ALA A 41 3.574 5.297 -3.842 1.00 0.00 C ATOM 645 C ALA A 41 4.474 4.583 -2.842 1.00 0.00 C ATOM 646 O ALA A 41 5.495 4.009 -3.213 1.00 0.00 O ATOM 647 CB ALA A 41 3.680 6.807 -3.668 1.00 0.00 C ATOM 0 H ALA A 41 1.538 5.633 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 41 3.904 5.037 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.718 7.115 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.064 7.304 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.333 7.084 -2.672 1.00 0.00 H new ATOM 653 N ALA A 42 4.067 4.597 -1.580 1.00 0.00 N ATOM 654 CA ALA A 42 4.833 3.957 -0.520 1.00 0.00 C ATOM 655 C ALA A 42 4.843 2.441 -0.693 1.00 0.00 C ATOM 656 O ALA A 42 5.855 1.787 -0.454 1.00 0.00 O ATOM 657 CB ALA A 42 4.266 4.334 0.838 1.00 0.00 C ATOM 0 H ALA A 42 3.207 5.046 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 42 5.863 4.310 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.847 3.849 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.315 5.415 0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.228 4.008 0.902 1.00 0.00 H new ATOM 663 N PHE A 43 3.714 1.889 -1.121 1.00 0.00 N ATOM 664 CA PHE A 43 3.593 0.449 -1.332 1.00 0.00 C ATOM 665 C PHE A 43 4.521 -0.018 -2.447 1.00 0.00 C ATOM 666 O PHE A 43 5.160 -1.065 -2.338 1.00 0.00 O ATOM 667 CB PHE A 43 2.143 0.074 -1.656 1.00 0.00 C ATOM 668 CG PHE A 43 1.939 -1.394 -1.906 1.00 0.00 C ATOM 669 CD1 PHE A 43 2.068 -2.314 -0.876 1.00 0.00 C ATOM 670 CD2 PHE A 43 1.627 -1.856 -3.175 1.00 0.00 C ATOM 671 CE1 PHE A 43 1.887 -3.664 -1.108 1.00 0.00 C ATOM 672 CE2 PHE A 43 1.446 -3.205 -3.413 1.00 0.00 C ATOM 673 CZ PHE A 43 1.577 -4.110 -2.377 1.00 0.00 C ATOM 0 H PHE A 43 2.867 2.417 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 43 3.887 -0.053 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.504 0.385 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.821 0.631 -2.536 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.313 -1.971 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.524 -1.153 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.988 -4.370 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.203 -3.551 -4.407 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.437 -5.165 -2.560 1.00 0.00 H new ATOM 683 N ILE A 44 4.597 0.765 -3.513 1.00 0.00 N ATOM 684 CA ILE A 44 5.478 0.459 -4.631 1.00 0.00 C ATOM 685 C ILE A 44 6.946 0.561 -4.208 1.00 0.00 C ATOM 686 O ILE A 44 7.790 -0.212 -4.667 1.00 0.00 O ATOM 687 CB ILE A 44 5.196 1.391 -5.836 1.00 0.00 C ATOM 688 CG1 ILE A 44 3.804 1.099 -6.416 1.00 0.00 C ATOM 689 CG2 ILE A 44 6.263 1.234 -6.913 1.00 0.00 C ATOM 690 CD1 ILE A 44 3.406 2.037 -7.537 1.00 0.00 C ATOM 0 H ILE A 44 4.056 1.622 -3.628 1.00 0.00 H new ATOM 0 HA ILE A 44 5.278 -0.566 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 44 5.224 2.422 -5.483 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.781 0.074 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.065 1.166 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.039 1.900 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.239 1.487 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.275 0.203 -7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.412 1.772 -7.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.396 3.062 -7.167 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.123 1.953 -8.354 1.00 0.00 H new ATOM 702 N LYS A 45 7.240 1.514 -3.331 1.00 0.00 N ATOM 703 CA LYS A 45 8.594 1.695 -2.816 1.00 0.00 C ATOM 704 C LYS A 45 8.986 0.561 -1.870 1.00 0.00 C ATOM 705 O LYS A 45 10.091 0.026 -1.955 1.00 0.00 O ATOM 706 CB LYS A 45 8.716 3.038 -2.092 1.00 0.00 C ATOM 707 CG LYS A 45 8.495 4.237 -2.998 1.00 0.00 C ATOM 708 CD LYS A 45 8.425 5.534 -2.207 1.00 0.00 C ATOM 709 CE LYS A 45 8.085 6.716 -3.100 1.00 0.00 C ATOM 710 NZ LYS A 45 9.151 6.986 -4.096 1.00 0.00 N ATOM 0 H LYS A 45 6.558 2.175 -2.960 1.00 0.00 H new ATOM 0 HA LYS A 45 9.275 1.682 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.992 3.070 -1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.706 3.110 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.304 4.298 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.571 4.103 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.674 5.442 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.381 5.712 -1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.146 6.520 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.931 7.602 -2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.936 7.868 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.065 7.081 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.200 6.199 -4.774 1.00 0.00 H new ATOM 724 N GLN A 46 8.078 0.199 -0.970 1.00 0.00 N ATOM 725 CA GLN A 46 8.354 -0.835 0.023 1.00 0.00 C ATOM 726 C GLN A 46 8.321 -2.222 -0.610 1.00 0.00 C ATOM 727 O GLN A 46 9.251 -3.007 -0.428 1.00 0.00 O ATOM 728 CB GLN A 46 7.336 -0.748 1.164 1.00 0.00 C ATOM 729 CG GLN A 46 7.563 -1.766 2.272 1.00 0.00 C ATOM 730 CD GLN A 46 6.662 -1.532 3.466 1.00 0.00 C ATOM 731 OE1 GLN A 46 5.557 -2.071 3.549 1.00 0.00 O ATOM 732 NE2 GLN A 46 7.131 -0.723 4.402 1.00 0.00 N ATOM 0 H GLN A 46 7.145 0.606 -0.907 1.00 0.00 H new ATOM 0 HA GLN A 46 9.354 -0.670 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.370 0.254 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.335 -0.887 0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.390 -2.769 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.604 -1.724 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.052 -0.297 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.572 -0.525 5.232 1.00 0.00 H new ATOM 741 N ARG A 47 7.267 -2.490 -1.380 1.00 0.00 N ATOM 742 CA ARG A 47 7.108 -3.750 -2.112 1.00 0.00 C ATOM 743 C ARG A 47 7.093 -4.990 -1.212 1.00 0.00 C ATOM 744 O ARG A 47 8.126 -5.419 -0.700 1.00 0.00 O ATOM 745 CB ARG A 47 8.203 -3.907 -3.173 1.00 0.00 C ATOM 746 CG ARG A 47 7.818 -3.370 -4.539 1.00 0.00 C ATOM 747 CD ARG A 47 6.616 -4.110 -5.105 1.00 0.00 C ATOM 748 NE ARG A 47 6.366 -3.774 -6.505 1.00 0.00 N ATOM 749 CZ ARG A 47 5.433 -4.364 -7.259 1.00 0.00 C ATOM 750 NH1 ARG A 47 4.607 -5.258 -6.726 1.00 0.00 N ATOM 751 NH2 ARG A 47 5.310 -4.046 -8.540 1.00 0.00 N ATOM 0 H ARG A 47 6.495 -1.837 -1.515 1.00 0.00 H new ATOM 0 HA ARG A 47 6.129 -3.687 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.102 -3.393 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.455 -4.963 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.590 -2.307 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.662 -3.467 -5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.778 -5.184 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.733 -3.870 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 47 6.938 -3.046 -6.933 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.683 -5.497 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.897 -5.705 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.929 -3.349 -8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.597 -4.499 -9.112 1.00 0.00 H new ATOM 765 N THR A 48 5.918 -5.586 -1.056 1.00 0.00 N ATOM 766 CA THR A 48 5.800 -6.909 -0.455 1.00 0.00 C ATOM 767 C THR A 48 6.177 -7.978 -1.488 1.00 0.00 C ATOM 768 O THR A 48 5.487 -8.987 -1.654 1.00 0.00 O ATOM 769 CB THR A 48 4.361 -7.146 0.037 1.00 0.00 C ATOM 770 OG1 THR A 48 3.439 -6.644 -0.940 1.00 0.00 O ATOM 771 CG2 THR A 48 4.116 -6.457 1.373 1.00 0.00 C ATOM 0 H THR A 48 5.029 -5.172 -1.339 1.00 0.00 H new ATOM 0 HA THR A 48 6.477 -6.972 0.397 1.00 0.00 H new ATOM 0 HB THR A 48 4.214 -8.217 0.176 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.265 -5.695 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.091 -6.642 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.807 -6.851 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.274 -5.384 1.263 1.00 0.00 H new ATOM 779 N ALA A 49 7.295 -7.739 -2.166 1.00 0.00 N ATOM 780 CA ALA A 49 7.675 -8.493 -3.350 1.00 0.00 C ATOM 781 C ALA A 49 8.235 -9.865 -3.009 1.00 0.00 C ATOM 782 O ALA A 49 7.847 -10.852 -3.633 1.00 0.00 O ATOM 783 CB ALA A 49 8.691 -7.698 -4.148 1.00 0.00 C ATOM 0 H ALA A 49 7.964 -7.014 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 49 6.775 -8.656 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.977 -8.261 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.254 -6.746 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.573 -7.515 -3.534 1.00 0.00 H new ATOM 789 N LYS A 50 9.138 -9.924 -2.028 1.00 0.00 N ATOM 790 CA LYS A 50 9.768 -11.182 -1.630 1.00 0.00 C ATOM 791 C LYS A 50 10.678 -11.706 -2.743 1.00 0.00 C ATOM 792 O LYS A 50 10.246 -12.474 -3.607 1.00 0.00 O ATOM 793 CB LYS A 50 8.692 -12.216 -1.267 1.00 0.00 C ATOM 794 CG LYS A 50 9.227 -13.567 -0.820 1.00 0.00 C ATOM 795 CD LYS A 50 8.099 -14.564 -0.582 1.00 0.00 C ATOM 796 CE LYS A 50 7.455 -14.407 0.794 1.00 0.00 C ATOM 797 NZ LYS A 50 6.918 -13.038 1.036 1.00 0.00 N ATOM 0 H LYS A 50 9.449 -9.112 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 50 10.387 -11.003 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.069 -11.807 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.046 -12.366 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.907 -13.959 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.806 -13.445 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.338 -14.436 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.488 -15.577 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.646 -15.131 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.191 -14.643 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.217 -13.071 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.696 -12.402 1.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.466 -12.684 0.169 1.00 0.00 H new ATOM 811 N TYR A 51 11.936 -11.264 -2.712 1.00 0.00 N ATOM 812 CA TYR A 51 12.955 -11.687 -3.676 1.00 0.00 C ATOM 813 C TYR A 51 12.623 -11.196 -5.081 1.00 0.00 C ATOM 814 O TYR A 51 12.514 -11.988 -6.020 1.00 0.00 O ATOM 815 CB TYR A 51 13.124 -13.213 -3.689 1.00 0.00 C ATOM 816 CG TYR A 51 13.580 -13.803 -2.374 1.00 0.00 C ATOM 817 CD1 TYR A 51 14.928 -13.857 -2.039 1.00 0.00 C ATOM 818 CD2 TYR A 51 12.657 -14.318 -1.474 1.00 0.00 C ATOM 819 CE1 TYR A 51 15.339 -14.409 -0.840 1.00 0.00 C ATOM 820 CE2 TYR A 51 13.060 -14.866 -0.277 1.00 0.00 C ATOM 821 CZ TYR A 51 14.400 -14.913 0.035 1.00 0.00 C ATOM 822 OH TYR A 51 14.802 -15.467 1.227 1.00 0.00 O ATOM 0 H TYR A 51 12.279 -10.601 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 51 13.896 -11.238 -3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 51 12.174 -13.669 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.845 -13.480 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.664 -13.463 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.605 -14.288 -1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 51 16.389 -14.445 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.328 -15.257 0.414 1.00 0.00 H new ATOM 0 HH TYR A 51 14.017 -15.773 1.727 1.00 0.00 H new ATOM 832 N VAL A 52 12.468 -9.886 -5.226 1.00 0.00 N ATOM 833 CA VAL A 52 12.191 -9.296 -6.532 1.00 0.00 C ATOM 834 C VAL A 52 13.483 -8.782 -7.167 1.00 0.00 C ATOM 835 O VAL A 52 13.549 -8.532 -8.373 1.00 0.00 O ATOM 836 CB VAL A 52 11.168 -8.139 -6.431 1.00 0.00 C ATOM 837 CG1 VAL A 52 11.789 -6.910 -5.781 1.00 0.00 C ATOM 838 CG2 VAL A 52 10.589 -7.806 -7.800 1.00 0.00 C ATOM 0 H VAL A 52 12.529 -9.214 -4.461 1.00 0.00 H new ATOM 0 HA VAL A 52 11.761 -10.078 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 52 10.349 -8.470 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.046 -6.114 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.129 -7.162 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.637 -6.573 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.873 -6.990 -7.703 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.393 -7.505 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.086 -8.684 -8.206 1.00 0.00 H new ATOM 848 N ALA A 53 14.517 -8.643 -6.344 1.00 0.00 N ATOM 849 CA ALA A 53 15.798 -8.130 -6.809 1.00 0.00 C ATOM 850 C ALA A 53 16.555 -9.194 -7.593 1.00 0.00 C ATOM 851 O ALA A 53 17.420 -9.890 -7.053 1.00 0.00 O ATOM 852 CB ALA A 53 16.633 -7.626 -5.639 1.00 0.00 C ATOM 0 H ALA A 53 14.492 -8.879 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 53 15.605 -7.290 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.586 -7.247 -6.009 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.098 -6.826 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 53 16.814 -8.444 -4.942 1.00 0.00 H new ATOM 858 N ASN A 54 16.202 -9.328 -8.863 1.00 0.00 N ATOM 859 CA ASN A 54 16.861 -10.272 -9.752 1.00 0.00 C ATOM 860 C ASN A 54 18.289 -9.830 -10.029 1.00 0.00 C ATOM 861 O ASN A 54 19.183 -10.652 -10.207 1.00 0.00 O ATOM 862 CB ASN A 54 16.073 -10.404 -11.060 1.00 0.00 C ATOM 863 CG ASN A 54 16.790 -11.249 -12.099 1.00 0.00 C ATOM 864 OD1 ASN A 54 16.705 -12.477 -12.085 1.00 0.00 O ATOM 865 ND2 ASN A 54 17.474 -10.596 -13.028 1.00 0.00 N ATOM 0 H ASN A 54 15.456 -8.789 -9.303 1.00 0.00 H new ATOM 0 HA ASN A 54 16.893 -11.248 -9.267 1.00 0.00 H new ATOM 0 HB2 ASN A 54 15.099 -10.846 -10.849 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.890 -9.411 -11.470 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.954 -11.112 -13.766 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.521 -9.577 -13.005 1.00 0.00 H new ATOM 872 N GLN A 55 18.497 -8.525 -10.058 1.00 0.00 N ATOM 873 CA GLN A 55 19.824 -7.978 -10.271 1.00 0.00 C ATOM 874 C GLN A 55 20.581 -7.874 -8.947 1.00 0.00 C ATOM 875 O GLN A 55 20.037 -7.406 -7.944 1.00 0.00 O ATOM 876 CB GLN A 55 19.739 -6.598 -10.934 1.00 0.00 C ATOM 877 CG GLN A 55 19.002 -5.563 -10.097 1.00 0.00 C ATOM 878 CD GLN A 55 19.016 -4.187 -10.723 1.00 0.00 C ATOM 879 OE1 GLN A 55 19.030 -4.045 -11.945 1.00 0.00 O ATOM 880 NE2 GLN A 55 19.017 -3.162 -9.887 1.00 0.00 N ATOM 0 H GLN A 55 17.764 -7.826 -9.937 1.00 0.00 H new ATOM 0 HA GLN A 55 20.366 -8.653 -10.934 1.00 0.00 H new ATOM 0 HB2 GLN A 55 20.748 -6.238 -11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 55 19.238 -6.697 -11.897 1.00 0.00 H new ATOM 0 HG2 GLN A 55 17.970 -5.883 -9.957 1.00 0.00 H new ATOM 0 HG3 GLN A 55 19.456 -5.512 -9.108 1.00 0.00 H new ATOM 0 HE21 GLN A 55 19.005 -3.325 -8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 55 19.030 -2.209 -10.249 1.00 0.00 H new ATOM 889 N PRO A 56 21.842 -8.324 -8.920 1.00 0.00 N ATOM 890 CA PRO A 56 22.701 -8.194 -7.744 1.00 0.00 C ATOM 891 C PRO A 56 23.331 -6.807 -7.661 1.00 0.00 C ATOM 892 O PRO A 56 24.072 -6.500 -6.728 1.00 0.00 O ATOM 893 CB PRO A 56 23.769 -9.259 -7.981 1.00 0.00 C ATOM 894 CG PRO A 56 23.890 -9.344 -9.466 1.00 0.00 C ATOM 895 CD PRO A 56 22.526 -9.020 -10.027 1.00 0.00 C ATOM 0 HA PRO A 56 22.158 -8.321 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 56 24.717 -8.980 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 56 23.476 -10.217 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 56 24.638 -8.642 -9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 56 24.209 -10.340 -9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.598 -8.388 -10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.991 -9.923 -10.322 1.00 0.00 H new ATOM 903 N GLY A 57 23.026 -5.975 -8.651 1.00 0.00 N ATOM 904 CA GLY A 57 23.569 -4.635 -8.699 1.00 0.00 C ATOM 905 C GLY A 57 24.724 -4.531 -9.671 1.00 0.00 C ATOM 906 O GLY A 57 24.515 -4.433 -10.883 1.00 0.00 O ATOM 0 H GLY A 57 22.406 -6.210 -9.426 1.00 0.00 H new ATOM 0 HA2 GLY A 57 22.785 -3.935 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 57 23.904 -4.343 -7.704 1.00 0.00 H new ATOM 910 N MET A 58 25.939 -4.561 -9.146 1.00 0.00 N ATOM 911 CA MET A 58 27.134 -4.504 -9.976 1.00 0.00 C ATOM 912 C MET A 58 27.507 -5.903 -10.454 1.00 0.00 C ATOM 913 O MET A 58 27.464 -6.863 -9.682 1.00 0.00 O ATOM 914 CB MET A 58 28.304 -3.878 -9.201 1.00 0.00 C ATOM 915 CG MET A 58 28.722 -4.666 -7.971 1.00 0.00 C ATOM 916 SD MET A 58 30.071 -3.886 -7.066 1.00 0.00 S ATOM 917 CE MET A 58 30.322 -5.091 -5.768 1.00 0.00 C ATOM 0 H MET A 58 26.125 -4.625 -8.145 1.00 0.00 H new ATOM 0 HA MET A 58 26.923 -3.878 -10.843 1.00 0.00 H new ATOM 0 HB2 MET A 58 29.160 -3.785 -9.869 1.00 0.00 H new ATOM 0 HB3 MET A 58 28.026 -2.869 -8.896 1.00 0.00 H new ATOM 0 HG2 MET A 58 27.864 -4.779 -7.309 1.00 0.00 H new ATOM 0 HG3 MET A 58 29.025 -5.668 -8.273 1.00 0.00 H new ATOM 0 HE1 MET A 58 31.129 -4.759 -5.114 1.00 0.00 H new ATOM 0 HE2 MET A 58 29.405 -5.197 -5.188 1.00 0.00 H new ATOM 0 HE3 MET A 58 30.585 -6.052 -6.210 1.00 0.00 H new ATOM 927 N GLN A 59 27.849 -6.024 -11.724 1.00 0.00 N ATOM 928 CA GLN A 59 28.272 -7.300 -12.274 1.00 0.00 C ATOM 929 C GLN A 59 29.756 -7.245 -12.605 1.00 0.00 C ATOM 930 O GLN A 59 30.112 -6.760 -13.696 1.00 0.00 O ATOM 931 CB GLN A 59 27.457 -7.656 -13.518 1.00 0.00 C ATOM 932 CG GLN A 59 27.765 -9.042 -14.063 1.00 0.00 C ATOM 933 CD GLN A 59 26.932 -9.403 -15.277 1.00 0.00 C ATOM 934 OE1 GLN A 59 26.569 -8.408 -16.072 1.00 0.00 O flip ATOM 935 NE2 GLN A 59 26.616 -10.572 -15.500 1.00 0.00 N flip ATOM 936 OXT GLN A 59 30.566 -7.645 -11.751 1.00 0.00 O ATOM 0 H GLN A 59 27.842 -5.255 -12.394 1.00 0.00 H new ATOM 0 HA GLN A 59 28.100 -8.078 -11.530 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.395 -7.595 -13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 59 27.651 -6.916 -14.295 1.00 0.00 H new ATOM 0 HG2 GLN A 59 28.821 -9.096 -14.326 1.00 0.00 H new ATOM 0 HG3 GLN A 59 27.593 -9.780 -13.280 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.915 -11.311 -14.864 1.00 0.00 H new ATOM 0 HE22 GLN A 59 26.055 -10.801 -16.321 1.00 0.00 H new TER 945 GLN A 59