USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 14 TYR OH : rot 80:sc= -2.68! USER MOD Set 1.2: A 18 LYS NZ :NH3+ -116:sc= 0.993 (180deg=-1.61!) USER MOD Set 1.3: B 103 GLN : amide:sc= -0.0981 K(o=-1.8,f=-2.9) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.1) USER MOD Single : A 6 THR OG1 : rot -138:sc= -3.33! USER MOD Single : A 8 THR OG1 : rot 48:sc= 1.24 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 120:sc= -2.02! USER MOD Single : A 15 GLN : amide:sc= -3.2! C(o=-3.2!,f=-12!) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0394 USER MOD Single : A 23 ASN : amide:sc= -2.14! C(o=-2.1!,f=-14!) USER MOD Single : A 25 SER OG : rot -71:sc= -0.254 USER MOD Single : A 29 SER OG : rot 120:sc= -0.226 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 65:sc= 0.729 USER MOD Single : A 32 MET CE :methyl -155:sc= -15.9! (180deg=-17.3!) USER MOD Single : A 33 GLN : amide:sc= -0.743 K(o=-0.74,f=-13!) USER MOD Single : A 34 ASN : amide:sc= -3.48! C(o=-3.5!,f=-2!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot 180:sc= -1.91! USER MOD Single : B 108 THR OG1 : rot 54:sc= 0.0523 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 38:sc= 1.18 USER MOD Single : B 114 TYR OH : rot 150:sc= -1.24! USER MOD Single : B 115 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.7!) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 135:sc= 0.441 USER MOD Single : B 123 ASN : amide:sc= -3.12! C(o=-3.1!,f=-7.9!) USER MOD Single : B 125 SER OG : rot 180:sc= 0.0813 USER MOD Single : B 129 SER OG : rot -73:sc= 0.612 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot -103:sc= -1.55 USER MOD Single : B 132 MET CE :methyl -152:sc= -19.8! (180deg=-21.3!) USER MOD Single : B 133 GLN : amide:sc= 0.209 K(o=0.21,f=-7.8!) USER MOD Single : B 134 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.724 -13.334 -18.523 1.00 0.00 N ATOM 21 CA LYS A 2 -13.525 -12.947 -17.113 1.00 0.00 C ATOM 22 C LYS A 2 -12.276 -13.576 -16.481 1.00 0.00 C ATOM 23 O LYS A 2 -12.184 -14.797 -16.329 1.00 0.00 O ATOM 24 CB LYS A 2 -14.757 -13.293 -16.265 1.00 0.00 C ATOM 25 CG LYS A 2 -15.415 -14.619 -16.627 1.00 0.00 C ATOM 26 CD LYS A 2 -14.940 -15.746 -15.720 1.00 0.00 C ATOM 27 CE LYS A 2 -14.444 -16.939 -16.521 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.572 -17.789 -17.004 1.00 0.00 N ATOM 0 HA LYS A 2 -13.376 -11.867 -17.123 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.465 -13.320 -15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.492 -12.495 -16.371 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.498 -14.521 -16.550 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.190 -14.866 -17.664 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.140 -15.382 -15.075 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.757 -16.058 -15.069 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.862 -16.588 -17.373 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.775 -17.539 -15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.194 -18.592 -17.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.112 -18.144 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.197 -17.223 -17.614 1.00 0.00 H new ATOM 42 N GLN A 3 -11.338 -12.718 -16.089 1.00 0.00 N ATOM 43 CA GLN A 3 -10.098 -13.143 -15.443 1.00 0.00 C ATOM 44 C GLN A 3 -10.095 -12.667 -14.003 1.00 0.00 C ATOM 45 O GLN A 3 -10.009 -11.470 -13.738 1.00 0.00 O ATOM 46 CB GLN A 3 -8.878 -12.577 -16.185 1.00 0.00 C ATOM 47 CG GLN A 3 -7.575 -12.701 -15.407 1.00 0.00 C ATOM 48 CD GLN A 3 -6.941 -14.075 -15.506 1.00 0.00 C ATOM 49 OE1 GLN A 3 -7.056 -14.757 -16.520 1.00 0.00 O ATOM 50 NE2 GLN A 3 -6.265 -14.487 -14.444 1.00 0.00 N ATOM 0 H GLN A 3 -11.415 -11.708 -16.210 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.040 -14.231 -15.470 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.772 -13.094 -17.138 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -9.057 -11.526 -16.411 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.869 -11.956 -15.775 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.764 -12.471 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.194 -13.889 -13.621 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.816 -15.403 -14.449 1.00 0.00 H new ATOM 59 N ARG A 4 -10.211 -13.588 -13.067 1.00 0.00 N ATOM 60 CA ARG A 4 -10.244 -13.203 -11.677 1.00 0.00 C ATOM 61 C ARG A 4 -8.860 -12.922 -11.114 1.00 0.00 C ATOM 62 O ARG A 4 -8.018 -13.812 -10.996 1.00 0.00 O ATOM 63 CB ARG A 4 -10.938 -14.260 -10.841 1.00 0.00 C ATOM 64 CG ARG A 4 -11.804 -13.667 -9.752 1.00 0.00 C ATOM 65 CD ARG A 4 -12.455 -14.766 -8.936 1.00 0.00 C ATOM 66 NE ARG A 4 -13.715 -15.237 -9.535 1.00 0.00 N ATOM 67 CZ ARG A 4 -13.807 -16.253 -10.387 1.00 0.00 C ATOM 68 NH1 ARG A 4 -12.743 -16.963 -10.691 1.00 0.00 N ATOM 69 NH2 ARG A 4 -14.969 -16.573 -10.921 1.00 0.00 N ATOM 0 H ARG A 4 -10.283 -14.590 -13.242 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.811 -12.273 -11.627 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.553 -14.884 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.189 -14.910 -10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.200 -13.033 -9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.571 -13.031 -10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.764 -15.604 -8.843 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.649 -14.400 -7.928 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.575 -14.751 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.841 -16.735 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.819 -17.742 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.805 -16.040 -10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.032 -17.354 -11.574 1.00 0.00 H new ATOM 83 N ILE A 5 -8.670 -11.679 -10.711 1.00 0.00 N ATOM 84 CA ILE A 5 -7.435 -11.238 -10.088 1.00 0.00 C ATOM 85 C ILE A 5 -7.727 -11.041 -8.629 1.00 0.00 C ATOM 86 O ILE A 5 -8.752 -10.451 -8.272 1.00 0.00 O ATOM 87 CB ILE A 5 -6.888 -9.928 -10.678 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.235 -8.750 -9.751 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.450 -9.745 -12.069 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.131 -7.375 -10.373 1.00 0.00 C ATOM 0 H ILE A 5 -9.371 -10.944 -10.807 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.669 -11.993 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.801 -9.967 -10.753 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.252 -8.887 -9.384 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.576 -8.787 -8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.068 -8.818 -12.497 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.150 -10.585 -12.696 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.538 -9.700 -12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.397 -6.620 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.109 -7.206 -10.713 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.812 -7.307 -11.222 1.00 0.00 H new ATOM 102 N THR A 6 -6.893 -11.568 -7.782 1.00 0.00 N ATOM 103 CA THR A 6 -7.154 -11.458 -6.373 1.00 0.00 C ATOM 104 C THR A 6 -5.971 -10.892 -5.603 1.00 0.00 C ATOM 105 O THR A 6 -4.900 -11.502 -5.557 1.00 0.00 O ATOM 106 CB THR A 6 -7.614 -12.823 -5.847 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.018 -13.127 -4.597 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.316 -13.982 -6.785 1.00 0.00 C ATOM 0 H THR A 6 -6.041 -12.070 -8.033 1.00 0.00 H new ATOM 0 HA THR A 6 -7.955 -10.736 -6.214 1.00 0.00 H new ATOM 0 HB THR A 6 -8.695 -12.721 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.745 -14.068 -4.585 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.672 -14.911 -6.340 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.821 -13.819 -7.737 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.241 -14.048 -6.951 1.00 0.00 H new ATOM 116 N VAL A 7 -6.216 -9.773 -4.907 1.00 0.00 N ATOM 117 CA VAL A 7 -5.230 -9.156 -4.026 1.00 0.00 C ATOM 118 C VAL A 7 -5.598 -9.503 -2.578 1.00 0.00 C ATOM 119 O VAL A 7 -6.463 -8.864 -1.980 1.00 0.00 O ATOM 120 CB VAL A 7 -5.094 -7.595 -4.209 1.00 0.00 C ATOM 121 CG1 VAL A 7 -5.316 -6.837 -2.898 1.00 0.00 C ATOM 122 CG2 VAL A 7 -3.727 -7.270 -4.773 1.00 0.00 C ATOM 0 H VAL A 7 -7.105 -9.275 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.252 -9.557 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.870 -7.272 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.212 -5.766 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.317 -7.047 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.577 -7.157 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.633 -6.191 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.957 -7.624 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.606 -7.761 -5.739 1.00 0.00 H new ATOM 132 N THR A 8 -4.987 -10.520 -2.007 1.00 0.00 N ATOM 133 CA THR A 8 -5.305 -10.888 -0.638 1.00 0.00 C ATOM 134 C THR A 8 -4.760 -9.833 0.325 1.00 0.00 C ATOM 135 O THR A 8 -3.625 -9.966 0.776 1.00 0.00 O ATOM 136 CB THR A 8 -4.705 -12.250 -0.323 1.00 0.00 C ATOM 137 OG1 THR A 8 -3.293 -12.219 -0.427 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.213 -13.347 -1.221 1.00 0.00 C ATOM 0 H THR A 8 -4.279 -11.100 -2.458 1.00 0.00 H new ATOM 0 HA THR A 8 -6.387 -10.942 -0.520 1.00 0.00 H new ATOM 0 HB THR A 8 -5.014 -12.470 0.699 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.946 -11.440 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.745 -14.291 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.294 -13.433 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.968 -13.112 -2.257 1.00 0.00 H new ATOM 146 N VAL A 9 -5.529 -8.764 0.612 1.00 0.00 N ATOM 147 CA VAL A 9 -4.994 -7.712 1.492 1.00 0.00 C ATOM 148 C VAL A 9 -5.990 -7.013 2.444 1.00 0.00 C ATOM 149 O VAL A 9 -6.016 -5.780 2.498 1.00 0.00 O ATOM 150 CB VAL A 9 -4.254 -6.618 0.677 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.188 -7.226 -0.222 1.00 0.00 C ATOM 152 CG2 VAL A 9 -5.224 -5.759 -0.132 1.00 0.00 C ATOM 0 H VAL A 9 -6.476 -8.610 0.266 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.319 -8.275 2.136 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.758 -5.964 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.688 -6.434 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.458 -7.758 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.654 -7.922 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.666 -5.006 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.775 -6.390 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.924 -5.267 0.543 1.00 0.00 H new ATOM 162 N ASP A 10 -6.721 -7.752 3.291 1.00 0.00 N ATOM 163 CA ASP A 10 -7.587 -7.129 4.310 1.00 0.00 C ATOM 164 C ASP A 10 -6.698 -6.574 5.419 1.00 0.00 C ATOM 165 O ASP A 10 -6.821 -6.871 6.608 1.00 0.00 O ATOM 166 CB ASP A 10 -8.473 -8.133 4.932 1.00 0.00 C ATOM 167 CG ASP A 10 -9.898 -7.649 5.137 1.00 0.00 C ATOM 168 OD1 ASP A 10 -10.115 -6.822 6.039 1.00 0.00 O ATOM 169 OD2 ASP A 10 -10.801 -8.088 4.393 1.00 0.00 O ATOM 0 H ASP A 10 -6.732 -8.772 3.294 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.185 -6.354 3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.489 -9.027 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.056 -8.425 5.896 1.00 0.00 H new ATOM 174 N SER A 11 -5.812 -5.790 4.956 1.00 0.00 N ATOM 175 CA SER A 11 -4.796 -5.117 5.749 1.00 0.00 C ATOM 176 C SER A 11 -4.151 -3.982 4.958 1.00 0.00 C ATOM 177 O SER A 11 -3.997 -2.877 5.485 1.00 0.00 O ATOM 178 CB SER A 11 -3.727 -6.109 6.208 1.00 0.00 C ATOM 179 OG SER A 11 -2.639 -5.436 6.824 1.00 0.00 O ATOM 0 H SER A 11 -5.748 -5.569 3.962 1.00 0.00 H new ATOM 0 HA SER A 11 -5.283 -4.693 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.163 -6.820 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.368 -6.683 5.354 1.00 0.00 H new ATOM 0 HG SER A 11 -1.969 -6.091 7.110 1.00 0.00 H new ATOM 185 N ASP A 12 -3.742 -4.234 3.699 1.00 0.00 N ATOM 186 CA ASP A 12 -3.098 -3.190 2.911 1.00 0.00 C ATOM 187 C ASP A 12 -4.105 -2.130 2.441 1.00 0.00 C ATOM 188 O ASP A 12 -4.116 -1.738 1.285 1.00 0.00 O ATOM 189 CB ASP A 12 -2.352 -3.816 1.729 1.00 0.00 C ATOM 190 CG ASP A 12 -1.289 -4.791 2.184 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.195 -4.333 2.574 1.00 0.00 O ATOM 192 OD2 ASP A 12 -1.553 -6.007 2.160 1.00 0.00 O ATOM 0 H ASP A 12 -3.847 -5.131 3.224 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.376 -2.676 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.063 -4.330 1.082 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.891 -3.029 1.133 1.00 0.00 H new ATOM 197 N SER A 13 -4.946 -1.659 3.359 1.00 0.00 N ATOM 198 CA SER A 13 -5.944 -0.635 3.053 1.00 0.00 C ATOM 199 C SER A 13 -7.072 -1.135 2.146 1.00 0.00 C ATOM 200 O SER A 13 -8.014 -0.387 1.880 1.00 0.00 O ATOM 201 CB SER A 13 -5.264 0.566 2.412 1.00 0.00 C ATOM 202 OG SER A 13 -4.274 1.096 3.277 1.00 0.00 O ATOM 0 H SER A 13 -4.956 -1.973 4.329 1.00 0.00 H new ATOM 0 HA SER A 13 -6.406 -0.355 4.000 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.809 0.272 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.005 1.332 2.185 1.00 0.00 H new ATOM 0 HG SER A 13 -3.400 1.057 2.836 1.00 0.00 H new ATOM 208 N TYR A 14 -7.004 -2.390 1.687 1.00 0.00 N ATOM 209 CA TYR A 14 -8.059 -2.930 0.830 1.00 0.00 C ATOM 210 C TYR A 14 -9.393 -2.938 1.576 1.00 0.00 C ATOM 211 O TYR A 14 -10.444 -2.599 1.024 1.00 0.00 O ATOM 212 CB TYR A 14 -7.747 -4.359 0.387 1.00 0.00 C ATOM 213 CG TYR A 14 -8.957 -5.274 0.401 1.00 0.00 C ATOM 214 CD1 TYR A 14 -9.907 -5.239 -0.613 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.147 -6.170 1.438 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.006 -6.074 -0.590 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.238 -7.003 1.471 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.166 -6.956 0.459 1.00 0.00 C ATOM 219 OH TYR A 14 -12.248 -7.804 0.490 1.00 0.00 O ATOM 0 H TYR A 14 -6.243 -3.038 1.891 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.118 -2.289 -0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.330 -4.336 -0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.980 -4.774 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.783 -4.547 -1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.423 -6.215 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.735 -6.037 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.366 -7.694 2.291 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.079 -8.571 -0.096 1.00 0.00 H new ATOM 229 N GLN A 15 -9.334 -3.397 2.825 1.00 0.00 N ATOM 230 CA GLN A 15 -10.523 -3.550 3.658 1.00 0.00 C ATOM 231 C GLN A 15 -11.431 -2.302 3.652 1.00 0.00 C ATOM 232 O GLN A 15 -12.646 -2.431 3.565 1.00 0.00 O ATOM 233 CB GLN A 15 -10.153 -3.873 5.114 1.00 0.00 C ATOM 234 CG GLN A 15 -8.698 -4.254 5.329 1.00 0.00 C ATOM 235 CD GLN A 15 -7.762 -3.065 5.310 1.00 0.00 C ATOM 236 OE1 GLN A 15 -6.813 -3.035 4.537 1.00 0.00 O ATOM 237 NE2 GLN A 15 -8.028 -2.077 6.144 1.00 0.00 N ATOM 0 H GLN A 15 -8.466 -3.671 3.285 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.075 -4.381 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.383 -3.007 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.784 -4.691 5.462 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.601 -4.769 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.395 -4.959 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.829 -2.142 6.772 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.433 -1.249 6.160 1.00 0.00 H new ATOM 246 N LEU A 16 -10.855 -1.105 3.777 1.00 0.00 N ATOM 247 CA LEU A 16 -11.661 0.133 3.810 1.00 0.00 C ATOM 248 C LEU A 16 -12.488 0.339 2.527 1.00 0.00 C ATOM 249 O LEU A 16 -13.688 0.616 2.592 1.00 0.00 O ATOM 250 CB LEU A 16 -10.758 1.346 4.046 1.00 0.00 C ATOM 251 CG LEU A 16 -10.948 2.034 5.398 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.605 2.398 6.008 1.00 0.00 C ATOM 253 CD2 LEU A 16 -11.818 3.271 5.249 1.00 0.00 C ATOM 0 H LEU A 16 -9.849 -0.959 3.857 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.365 0.029 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.719 1.030 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.938 2.074 3.255 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.451 1.337 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.763 2.887 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.014 1.494 6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.073 3.075 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.942 3.748 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.342 3.970 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.794 2.984 4.858 1.00 0.00 H new ATOM 265 N LEU A 17 -11.833 0.206 1.376 1.00 0.00 N ATOM 266 CA LEU A 17 -12.511 0.386 0.076 1.00 0.00 C ATOM 267 C LEU A 17 -13.800 -0.435 0.001 1.00 0.00 C ATOM 268 O LEU A 17 -14.846 0.049 -0.442 1.00 0.00 O ATOM 269 CB LEU A 17 -11.600 -0.009 -1.061 1.00 0.00 C ATOM 270 CG LEU A 17 -11.371 1.063 -2.124 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.667 1.382 -2.849 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.782 2.317 -1.500 1.00 0.00 C ATOM 0 H LEU A 17 -10.842 -0.024 1.307 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.764 1.443 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.634 -0.296 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.015 -0.893 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.658 0.677 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.483 2.148 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.045 0.481 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.404 1.746 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.626 3.069 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.469 2.706 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.828 2.076 -1.030 1.00 0.00 H new ATOM 284 N LYS A 18 -13.709 -1.679 0.443 1.00 0.00 N ATOM 285 CA LYS A 18 -14.851 -2.595 0.456 1.00 0.00 C ATOM 286 C LYS A 18 -15.746 -2.307 1.653 1.00 0.00 C ATOM 287 O LYS A 18 -16.967 -2.429 1.586 1.00 0.00 O ATOM 288 CB LYS A 18 -14.354 -4.034 0.507 1.00 0.00 C ATOM 289 CG LYS A 18 -13.415 -4.255 1.665 1.00 0.00 C ATOM 290 CD LYS A 18 -13.475 -5.680 2.190 1.00 0.00 C ATOM 291 CE LYS A 18 -12.694 -5.830 3.486 1.00 0.00 C ATOM 292 NZ LYS A 18 -13.067 -7.053 4.245 1.00 0.00 N ATOM 0 H LYS A 18 -12.846 -2.087 0.803 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.433 -2.449 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.204 -4.711 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.846 -4.278 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.396 -4.028 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.664 -3.563 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.514 -5.964 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.073 -6.362 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.628 -5.858 3.261 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.865 -4.954 4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.491 -6.781 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.754 -7.607 3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.217 -7.627 4.417 1.00 0.00 H new ATOM 306 N ALA A 19 -15.106 -1.901 2.736 1.00 0.00 N ATOM 307 CA ALA A 19 -15.796 -1.557 3.971 1.00 0.00 C ATOM 308 C ALA A 19 -16.732 -0.381 3.744 1.00 0.00 C ATOM 309 O ALA A 19 -17.762 -0.263 4.411 1.00 0.00 O ATOM 310 CB ALA A 19 -14.794 -1.239 5.073 1.00 0.00 C ATOM 0 H ALA A 19 -14.092 -1.800 2.786 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.390 -2.415 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.328 -0.984 5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.162 -2.109 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.174 -0.396 4.769 1.00 0.00 H new ATOM 316 N TYR A 20 -16.383 0.484 2.788 1.00 0.00 N ATOM 317 CA TYR A 20 -17.219 1.622 2.490 1.00 0.00 C ATOM 318 C TYR A 20 -18.280 1.261 1.445 1.00 0.00 C ATOM 319 O TYR A 20 -19.441 1.582 1.675 1.00 0.00 O ATOM 320 CB TYR A 20 -16.387 2.883 2.145 1.00 0.00 C ATOM 321 CG TYR A 20 -15.971 3.087 0.699 1.00 0.00 C ATOM 322 CD1 TYR A 20 -16.882 2.997 -0.342 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.648 3.391 0.383 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.493 3.197 -1.650 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.256 3.588 -0.924 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.180 3.488 -1.935 1.00 0.00 C ATOM 327 OH TYR A 20 -14.785 3.675 -3.235 1.00 0.00 O ATOM 0 H TYR A 20 -15.538 0.410 2.221 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.767 1.894 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.961 3.757 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.483 2.864 2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.914 2.766 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.918 3.474 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.218 3.125 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.226 3.820 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.826 3.874 -3.260 1.00 0.00 H new ATOM 337 N ASP A 21 -17.914 0.549 0.337 1.00 0.00 N ATOM 338 CA ASP A 21 -18.933 0.130 -0.676 1.00 0.00 C ATOM 339 C ASP A 21 -18.381 -0.038 -2.099 1.00 0.00 C ATOM 340 O ASP A 21 -19.105 0.198 -3.071 1.00 0.00 O ATOM 341 CB ASP A 21 -20.106 1.130 -0.747 1.00 0.00 C ATOM 342 CG ASP A 21 -21.411 0.554 -0.228 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.697 -0.631 -0.508 1.00 0.00 O ATOM 344 OD2 ASP A 21 -22.155 1.293 0.445 1.00 0.00 O ATOM 0 H ASP A 21 -16.958 0.262 0.127 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.267 -0.846 -0.323 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.853 2.019 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.242 1.449 -1.780 1.00 0.00 H new ATOM 349 N VAL A 22 -17.124 -0.435 -2.251 1.00 0.00 N ATOM 350 CA VAL A 22 -16.570 -0.584 -3.602 1.00 0.00 C ATOM 351 C VAL A 22 -15.583 -1.706 -3.755 1.00 0.00 C ATOM 352 O VAL A 22 -15.486 -2.282 -4.839 1.00 0.00 O ATOM 353 CB VAL A 22 -15.929 0.740 -4.071 1.00 0.00 C ATOM 354 CG1 VAL A 22 -15.029 0.534 -5.280 1.00 0.00 C ATOM 355 CG2 VAL A 22 -17.009 1.756 -4.381 1.00 0.00 C ATOM 0 H VAL A 22 -16.483 -0.654 -1.488 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.421 -0.844 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 22 -15.304 1.115 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.597 1.489 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.230 -0.161 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.614 0.127 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.549 2.687 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -17.655 1.371 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.602 1.942 -3.485 1.00 0.00 H new ATOM 365 N ASN A 23 -14.814 -1.980 -2.727 1.00 0.00 N ATOM 366 CA ASN A 23 -13.791 -2.993 -2.807 1.00 0.00 C ATOM 367 C ASN A 23 -12.894 -2.683 -4.008 1.00 0.00 C ATOM 368 O ASN A 23 -12.094 -1.748 -3.942 1.00 0.00 O ATOM 369 CB ASN A 23 -14.355 -4.440 -2.812 1.00 0.00 C ATOM 370 CG ASN A 23 -15.406 -4.722 -3.871 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.083 -4.898 -5.047 1.00 0.00 O ATOM 372 ND2 ASN A 23 -16.664 -4.791 -3.461 1.00 0.00 N ATOM 0 H ASN A 23 -14.879 -1.513 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.188 -2.960 -1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.527 -5.135 -2.951 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -14.785 -4.648 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -17.407 -4.996 -4.129 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -16.889 -4.639 -2.478 1.00 0.00 H new ATOM 379 N ILE A 24 -13.028 -3.410 -5.109 1.00 0.00 N ATOM 380 CA ILE A 24 -12.206 -3.103 -6.266 1.00 0.00 C ATOM 381 C ILE A 24 -12.785 -3.494 -7.613 1.00 0.00 C ATOM 382 O ILE A 24 -12.114 -3.272 -8.621 1.00 0.00 O ATOM 383 CB ILE A 24 -10.794 -3.684 -6.178 1.00 0.00 C ATOM 384 CG1 ILE A 24 -10.682 -4.689 -5.054 1.00 0.00 C ATOM 385 CG2 ILE A 24 -9.783 -2.568 -5.996 1.00 0.00 C ATOM 386 CD1 ILE A 24 -11.721 -5.774 -5.137 1.00 0.00 C ATOM 0 H ILE A 24 -13.675 -4.190 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.175 -2.014 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.583 -4.206 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.690 -5.140 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.779 -4.172 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.781 -2.992 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.837 -1.886 -6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.004 -2.023 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.592 -6.466 -4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.715 -5.330 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.610 -6.313 -6.078 1.00 0.00 H new ATOM 398 N SER A 25 -13.976 -4.089 -7.662 1.00 0.00 N ATOM 399 CA SER A 25 -14.525 -4.498 -8.959 1.00 0.00 C ATOM 400 C SER A 25 -14.202 -3.427 -10.014 1.00 0.00 C ATOM 401 O SER A 25 -13.424 -3.667 -10.951 1.00 0.00 O ATOM 402 CB SER A 25 -16.037 -4.712 -8.854 1.00 0.00 C ATOM 403 OG SER A 25 -16.736 -3.479 -8.796 1.00 0.00 O ATOM 0 H SER A 25 -14.563 -4.294 -6.853 1.00 0.00 H new ATOM 0 HA SER A 25 -14.070 -5.441 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.384 -5.288 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.261 -5.300 -7.964 1.00 0.00 H new ATOM 0 HG SER A 25 -16.576 -3.053 -7.928 1.00 0.00 H new ATOM 409 N GLY A 26 -14.761 -2.232 -9.819 1.00 0.00 N ATOM 410 CA GLY A 26 -14.497 -1.121 -10.717 1.00 0.00 C ATOM 411 C GLY A 26 -13.259 -0.335 -10.311 1.00 0.00 C ATOM 412 O GLY A 26 -12.580 0.244 -11.162 1.00 0.00 O ATOM 0 H GLY A 26 -15.395 -2.015 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.369 -1.499 -11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.360 -0.455 -10.731 1.00 0.00 H new ATOM 416 N LEU A 27 -12.948 -0.327 -9.005 1.00 0.00 N ATOM 417 CA LEU A 27 -11.772 0.378 -8.508 1.00 0.00 C ATOM 418 C LEU A 27 -10.523 -0.120 -9.209 1.00 0.00 C ATOM 419 O LEU A 27 -9.818 0.660 -9.832 1.00 0.00 O ATOM 420 CB LEU A 27 -11.603 0.186 -7.004 1.00 0.00 C ATOM 421 CG LEU A 27 -10.827 1.289 -6.293 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.763 2.396 -5.847 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.069 0.709 -5.110 1.00 0.00 C ATOM 0 H LEU A 27 -13.494 -0.799 -8.285 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.917 1.438 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.591 0.108 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.097 -0.763 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.107 1.720 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.191 3.174 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.264 2.821 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.507 1.989 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.517 1.503 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.774 0.259 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.371 -0.051 -5.462 1.00 0.00 H new ATOM 435 N VAL A 28 -10.254 -1.421 -9.106 1.00 0.00 N ATOM 436 CA VAL A 28 -9.083 -2.004 -9.748 1.00 0.00 C ATOM 437 C VAL A 28 -9.071 -1.662 -11.241 1.00 0.00 C ATOM 438 O VAL A 28 -8.170 -0.981 -11.711 1.00 0.00 O ATOM 439 CB VAL A 28 -9.028 -3.538 -9.527 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.271 -4.252 -10.638 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.391 -3.841 -8.181 1.00 0.00 C ATOM 0 H VAL A 28 -10.828 -2.085 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.192 -1.575 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.052 -3.911 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.259 -5.324 -10.440 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.764 -4.065 -11.592 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.248 -3.879 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.355 -4.920 -8.030 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.379 -3.437 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.982 -3.384 -7.388 1.00 0.00 H new ATOM 451 N SER A 29 -10.080 -2.125 -11.972 1.00 0.00 N ATOM 452 CA SER A 29 -10.179 -1.867 -13.411 1.00 0.00 C ATOM 453 C SER A 29 -9.993 -0.390 -13.781 1.00 0.00 C ATOM 454 O SER A 29 -9.272 -0.081 -14.734 1.00 0.00 O ATOM 455 CB SER A 29 -11.541 -2.324 -13.911 1.00 0.00 C ATOM 456 OG SER A 29 -12.570 -1.455 -13.460 1.00 0.00 O ATOM 0 H SER A 29 -10.845 -2.683 -11.593 1.00 0.00 H new ATOM 0 HA SER A 29 -9.370 -2.424 -13.883 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.540 -2.356 -15.001 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.738 -3.338 -13.562 1.00 0.00 H new ATOM 0 HG SER A 29 -13.029 -1.064 -14.232 1.00 0.00 H new ATOM 462 N THR A 30 -10.638 0.517 -13.046 1.00 0.00 N ATOM 463 CA THR A 30 -10.525 1.942 -13.335 1.00 0.00 C ATOM 464 C THR A 30 -9.196 2.473 -12.839 1.00 0.00 C ATOM 465 O THR A 30 -8.500 3.200 -13.551 1.00 0.00 O ATOM 466 CB THR A 30 -11.698 2.718 -12.718 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.095 3.774 -13.575 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.411 3.324 -11.358 1.00 0.00 C ATOM 0 H THR A 30 -11.239 0.290 -12.253 1.00 0.00 H new ATOM 0 HA THR A 30 -10.567 2.083 -14.415 1.00 0.00 H new ATOM 0 HB THR A 30 -12.482 1.972 -12.590 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.844 4.259 -13.171 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.295 3.852 -11.001 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.152 2.533 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.579 4.023 -11.440 1.00 0.00 H new ATOM 476 N THR A 31 -8.843 2.104 -11.613 1.00 0.00 N ATOM 477 CA THR A 31 -7.588 2.543 -11.025 1.00 0.00 C ATOM 478 C THR A 31 -6.413 2.045 -11.851 1.00 0.00 C ATOM 479 O THR A 31 -5.428 2.761 -12.040 1.00 0.00 O ATOM 480 CB THR A 31 -7.439 2.072 -9.579 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.554 2.459 -8.808 1.00 0.00 O ATOM 482 CG2 THR A 31 -6.215 2.629 -8.898 1.00 0.00 C ATOM 0 H THR A 31 -9.407 1.504 -11.011 1.00 0.00 H new ATOM 0 HA THR A 31 -7.596 3.633 -11.023 1.00 0.00 H new ATOM 0 HB THR A 31 -7.352 0.987 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.356 2.004 -9.141 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.167 2.257 -7.875 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.323 2.316 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.269 3.718 -8.886 1.00 0.00 H new ATOM 490 N MET A 32 -6.532 0.814 -12.351 1.00 0.00 N ATOM 491 CA MET A 32 -5.492 0.214 -13.174 1.00 0.00 C ATOM 492 C MET A 32 -5.108 1.160 -14.307 1.00 0.00 C ATOM 493 O MET A 32 -3.938 1.342 -14.580 1.00 0.00 O ATOM 494 CB MET A 32 -5.952 -1.140 -13.726 1.00 0.00 C ATOM 495 CG MET A 32 -6.076 -2.228 -12.663 1.00 0.00 C ATOM 496 SD MET A 32 -5.102 -3.691 -13.040 1.00 0.00 S ATOM 497 CE MET A 32 -4.969 -4.423 -11.423 1.00 0.00 C ATOM 0 H MET A 32 -7.343 0.215 -12.197 1.00 0.00 H new ATOM 0 HA MET A 32 -4.612 0.042 -12.554 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.917 -1.013 -14.217 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.247 -1.469 -14.489 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.760 -1.826 -11.700 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.124 -2.512 -12.562 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.077 -5.047 -11.379 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.899 -3.636 -10.672 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.850 -5.034 -11.227 1.00 0.00 H new ATOM 507 N GLN A 33 -6.097 1.779 -14.953 1.00 0.00 N ATOM 508 CA GLN A 33 -5.827 2.723 -16.042 1.00 0.00 C ATOM 509 C GLN A 33 -5.051 3.936 -15.527 1.00 0.00 C ATOM 510 O GLN A 33 -4.054 4.345 -16.129 1.00 0.00 O ATOM 511 CB GLN A 33 -7.149 3.135 -16.718 1.00 0.00 C ATOM 512 CG GLN A 33 -7.430 4.637 -16.748 1.00 0.00 C ATOM 513 CD GLN A 33 -7.406 5.209 -18.150 1.00 0.00 C ATOM 514 OE1 GLN A 33 -6.423 5.824 -18.565 1.00 0.00 O ATOM 515 NE2 GLN A 33 -8.486 5.010 -18.890 1.00 0.00 N ATOM 0 H GLN A 33 -7.087 1.646 -14.744 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.202 2.236 -16.791 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.145 2.763 -17.743 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.971 2.639 -16.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.404 4.829 -16.298 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.690 5.153 -16.137 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.279 4.495 -18.507 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.525 5.372 -19.843 1.00 0.00 H new ATOM 524 N ASN A 34 -5.492 4.494 -14.400 1.00 0.00 N ATOM 525 CA ASN A 34 -4.804 5.637 -13.815 1.00 0.00 C ATOM 526 C ASN A 34 -3.389 5.220 -13.410 1.00 0.00 C ATOM 527 O ASN A 34 -2.416 5.891 -13.769 1.00 0.00 O ATOM 528 CB ASN A 34 -5.614 6.222 -12.638 1.00 0.00 C ATOM 529 CG ASN A 34 -4.935 6.081 -11.287 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.870 6.648 -11.058 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.555 5.346 -10.381 1.00 0.00 N ATOM 0 H ASN A 34 -6.311 4.176 -13.882 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.719 6.436 -14.552 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.802 7.278 -12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.585 5.728 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.150 5.233 -9.452 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.439 4.891 -10.611 1.00 0.00 H new ATOM 538 N GLU A 35 -3.278 4.086 -12.711 1.00 0.00 N ATOM 539 CA GLU A 35 -1.973 3.567 -12.316 1.00 0.00 C ATOM 540 C GLU A 35 -1.191 3.149 -13.565 1.00 0.00 C ATOM 541 O GLU A 35 0.008 3.340 -13.645 1.00 0.00 O ATOM 542 CB GLU A 35 -2.115 2.389 -11.344 1.00 0.00 C ATOM 543 CG GLU A 35 -1.771 2.745 -9.899 1.00 0.00 C ATOM 544 CD GLU A 35 -0.373 3.314 -9.740 1.00 0.00 C ATOM 545 OE1 GLU A 35 0.568 2.524 -9.528 1.00 0.00 O ATOM 546 OE2 GLU A 35 -0.218 4.553 -9.828 1.00 0.00 O ATOM 0 H GLU A 35 -4.070 3.518 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.426 4.354 -11.797 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.139 2.017 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.467 1.577 -11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.496 3.470 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.866 1.853 -9.279 1.00 0.00 H new ATOM 553 N ALA A 36 -1.879 2.611 -14.562 1.00 0.00 N ATOM 554 CA ALA A 36 -1.229 2.216 -15.808 1.00 0.00 C ATOM 555 C ALA A 36 -0.568 3.429 -16.441 1.00 0.00 C ATOM 556 O ALA A 36 0.564 3.363 -16.924 1.00 0.00 O ATOM 557 CB ALA A 36 -2.240 1.615 -16.762 1.00 0.00 C ATOM 0 H ALA A 36 -2.884 2.438 -14.535 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.470 1.464 -15.592 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.740 1.325 -17.686 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.694 0.736 -16.304 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.014 2.350 -16.983 1.00 0.00 H new ATOM 563 N ARG A 37 -1.285 4.547 -16.421 1.00 0.00 N ATOM 564 CA ARG A 37 -0.760 5.783 -16.977 1.00 0.00 C ATOM 565 C ARG A 37 0.220 6.452 -16.040 1.00 0.00 C ATOM 566 O ARG A 37 1.345 6.772 -16.421 1.00 0.00 O ATOM 567 CB ARG A 37 -1.867 6.777 -17.225 1.00 0.00 C ATOM 568 CG ARG A 37 -2.210 6.933 -18.688 1.00 0.00 C ATOM 569 CD ARG A 37 -3.625 7.432 -18.876 1.00 0.00 C ATOM 570 NE ARG A 37 -3.812 8.004 -20.216 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.816 7.708 -21.039 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.798 6.912 -20.662 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.839 8.232 -22.250 1.00 0.00 N ATOM 0 H ARG A 37 -2.224 4.621 -16.029 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.264 5.504 -17.907 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.758 6.462 -16.681 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.573 7.746 -16.822 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.513 7.629 -19.154 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.091 5.975 -19.195 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.326 6.611 -18.727 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.851 8.185 -18.121 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.120 8.679 -20.541 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.798 6.510 -19.724 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.558 6.698 -21.308 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.091 8.858 -22.549 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.604 8.011 -22.887 1.00 0.00 H new ATOM 587 N ARG A 38 -0.243 6.724 -14.827 1.00 0.00 N ATOM 588 CA ARG A 38 0.572 7.430 -13.855 1.00 0.00 C ATOM 589 C ARG A 38 1.562 6.521 -13.089 1.00 0.00 C ATOM 590 O ARG A 38 2.618 6.991 -12.668 1.00 0.00 O ATOM 591 CB ARG A 38 -0.326 8.171 -12.857 1.00 0.00 C ATOM 592 CG ARG A 38 -0.384 9.676 -13.085 1.00 0.00 C ATOM 593 CD ARG A 38 -1.615 10.074 -13.886 1.00 0.00 C ATOM 594 NE ARG A 38 -1.452 11.384 -14.529 1.00 0.00 N ATOM 595 CZ ARG A 38 -1.617 12.548 -13.910 1.00 0.00 C ATOM 596 NH1 ARG A 38 -1.952 12.587 -12.635 1.00 0.00 N ATOM 597 NH2 ARG A 38 -1.442 13.677 -14.572 1.00 0.00 N ATOM 0 H ARG A 38 -1.173 6.467 -14.497 1.00 0.00 H new ATOM 0 HA ARG A 38 1.178 8.135 -14.424 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.335 7.764 -12.918 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.034 7.979 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.393 10.190 -12.124 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.514 10.000 -13.612 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.813 9.319 -14.647 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.484 10.099 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.195 11.402 -15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.086 11.719 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.077 13.485 -12.168 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.180 13.655 -15.558 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.568 14.571 -14.098 1.00 0.00 H new ATOM 1184 N LYS B 102 -5.637 -12.393 6.046 1.00 0.00 N ATOM 1185 CA LYS B 102 -5.528 -12.294 4.587 1.00 0.00 C ATOM 1186 C LYS B 102 -6.874 -12.486 3.902 1.00 0.00 C ATOM 1187 O LYS B 102 -7.367 -13.610 3.765 1.00 0.00 O ATOM 1188 CB LYS B 102 -4.507 -13.291 4.003 1.00 0.00 C ATOM 1189 CG LYS B 102 -4.879 -14.772 4.124 1.00 0.00 C ATOM 1190 CD LYS B 102 -4.919 -15.254 5.572 1.00 0.00 C ATOM 1191 CE LYS B 102 -6.269 -15.861 5.925 1.00 0.00 C ATOM 1192 NZ LYS B 102 -6.278 -17.344 5.733 1.00 0.00 N ATOM 0 HA LYS B 102 -5.172 -11.283 4.387 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.361 -13.057 2.948 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -3.549 -13.134 4.500 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.853 -14.936 3.664 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -4.158 -15.370 3.566 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -4.134 -15.994 5.731 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.710 -14.418 6.240 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.513 -15.627 6.961 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.044 -15.409 5.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.214 -17.721 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -6.070 -17.567 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -5.556 -17.777 6.343 1.00 0.00 H new ATOM 1206 N GLN B 103 -7.452 -11.388 3.437 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.713 -11.455 2.730 1.00 0.00 C ATOM 1208 C GLN B 103 -8.468 -11.459 1.250 1.00 0.00 C ATOM 1209 O GLN B 103 -7.854 -10.544 0.705 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.643 -10.291 3.081 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.901 -10.258 2.223 1.00 0.00 C ATOM 1212 CD GLN B 103 -12.175 -10.529 3.000 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -12.158 -11.163 4.053 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -13.289 -10.054 2.474 1.00 0.00 N ATOM 0 H GLN B 103 -7.068 -10.449 3.538 1.00 0.00 H new ATOM 0 HA GLN B 103 -9.203 -12.378 3.039 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.927 -10.363 4.131 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -9.103 -9.352 2.961 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.978 -9.282 1.744 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.807 -10.997 1.427 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -13.258 -9.533 1.598 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -14.181 -10.208 2.944 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.941 -12.500 0.605 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.755 -12.628 -0.813 1.00 0.00 C ATOM 1225 C ARG B 104 -9.732 -11.737 -1.537 1.00 0.00 C ATOM 1226 O ARG B 104 -10.922 -12.040 -1.631 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.982 -14.062 -1.240 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.469 -14.384 -2.628 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.127 -15.863 -2.742 1.00 0.00 C ATOM 1230 NE ARG B 104 -6.686 -16.121 -2.587 1.00 0.00 N ATOM 1231 CZ ARG B 104 -6.060 -16.330 -1.431 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -6.716 -16.323 -0.291 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.765 -16.563 -1.430 1.00 0.00 N ATOM 0 H ARG B 104 -9.455 -13.265 1.042 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.735 -12.334 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -8.497 -14.724 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -10.050 -14.277 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -9.223 -14.121 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.586 -13.783 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -8.676 -16.419 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.458 -16.236 -3.712 1.00 0.00 H new ATOM 0 HE ARG B 104 -6.120 -16.141 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -7.722 -16.155 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -6.219 -16.485 0.585 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.250 -16.582 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.277 -16.724 -0.549 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.217 -10.654 -2.071 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.035 -9.736 -2.818 1.00 0.00 C ATOM 1249 C ILE B 105 -9.809 -10.034 -4.269 1.00 0.00 C ATOM 1250 O ILE B 105 -8.719 -9.850 -4.799 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.715 -8.279 -2.456 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -8.746 -7.645 -3.440 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.137 -8.233 -1.046 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -8.578 -6.170 -3.212 1.00 0.00 C ATOM 0 H ILE B 105 -8.234 -10.390 -2.000 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.090 -9.864 -2.575 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.640 -7.705 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -7.776 -8.135 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -9.102 -7.814 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -8.907 -7.201 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -9.865 -8.635 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.226 -8.830 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -7.876 -5.767 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -9.542 -5.673 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -8.195 -5.999 -2.206 1.00 0.00 H new ATOM 1266 N THR B 106 -10.820 -10.604 -4.865 1.00 0.00 N ATOM 1267 CA THR B 106 -10.729 -11.074 -6.220 1.00 0.00 C ATOM 1268 C THR B 106 -11.733 -10.379 -7.149 1.00 0.00 C ATOM 1269 O THR B 106 -12.941 -10.600 -7.056 1.00 0.00 O ATOM 1270 CB THR B 106 -10.947 -12.589 -6.152 1.00 0.00 C ATOM 1271 OG1 THR B 106 -10.568 -13.095 -4.879 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.184 -13.392 -7.161 1.00 0.00 C ATOM 0 H THR B 106 -11.728 -10.756 -4.426 1.00 0.00 H new ATOM 0 HA THR B 106 -9.756 -10.838 -6.652 1.00 0.00 H new ATOM 0 HB THR B 106 -12.011 -12.701 -6.358 1.00 0.00 H new ATOM 0 HG1 THR B 106 -10.716 -14.063 -4.855 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.408 -14.450 -7.028 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.473 -13.083 -8.166 1.00 0.00 H new ATOM 0 HG23 THR B 106 -9.115 -13.227 -7.024 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.203 -9.580 -8.082 1.00 0.00 N ATOM 1281 CA VAL B 107 -12.019 -8.884 -9.096 1.00 0.00 C ATOM 1282 C VAL B 107 -11.944 -9.644 -10.418 1.00 0.00 C ATOM 1283 O VAL B 107 -10.882 -9.689 -11.046 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.593 -7.388 -9.340 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.079 -7.222 -9.359 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -12.187 -6.837 -10.647 1.00 0.00 C ATOM 0 H VAL B 107 -10.203 -9.395 -8.160 1.00 0.00 H new ATOM 0 HA VAL B 107 -13.037 -8.862 -8.707 1.00 0.00 H new ATOM 0 HB VAL B 107 -11.992 -6.816 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.830 -6.175 -9.530 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -9.666 -7.542 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.656 -7.831 -10.158 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -11.872 -5.802 -10.782 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -11.836 -7.436 -11.487 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -13.275 -6.881 -10.599 1.00 0.00 H new ATOM 1296 N THR B 108 -13.050 -10.243 -10.846 1.00 0.00 N ATOM 1297 CA THR B 108 -13.076 -10.979 -12.105 1.00 0.00 C ATOM 1298 C THR B 108 -12.993 -10.007 -13.290 1.00 0.00 C ATOM 1299 O THR B 108 -14.017 -9.563 -13.810 1.00 0.00 O ATOM 1300 CB THR B 108 -14.342 -11.826 -12.199 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.463 -11.122 -11.701 1.00 0.00 O ATOM 1302 CG2 THR B 108 -14.265 -13.135 -11.461 1.00 0.00 C ATOM 0 H THR B 108 -13.937 -10.234 -10.342 1.00 0.00 H new ATOM 0 HA THR B 108 -12.212 -11.643 -12.139 1.00 0.00 H new ATOM 0 HB THR B 108 -14.446 -12.041 -13.263 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.534 -10.256 -12.155 1.00 0.00 H new ATOM 0 HG21 THR B 108 -15.205 -13.675 -11.579 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.449 -13.734 -11.866 1.00 0.00 H new ATOM 0 HG23 THR B 108 -14.085 -12.946 -10.403 1.00 0.00 H new ATOM 1310 N VAL B 109 -11.768 -9.668 -13.695 1.00 0.00 N ATOM 1311 CA VAL B 109 -11.546 -8.728 -14.800 1.00 0.00 C ATOM 1312 C VAL B 109 -11.477 -9.426 -16.167 1.00 0.00 C ATOM 1313 O VAL B 109 -12.248 -10.347 -16.427 1.00 0.00 O ATOM 1314 CB VAL B 109 -10.267 -7.902 -14.586 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -10.271 -7.223 -13.228 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.049 -8.786 -14.752 1.00 0.00 C ATOM 0 H VAL B 109 -10.912 -10.030 -13.275 1.00 0.00 H new ATOM 0 HA VAL B 109 -12.410 -8.064 -14.803 1.00 0.00 H new ATOM 0 HB VAL B 109 -10.232 -7.115 -15.340 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -9.354 -6.647 -13.107 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -11.130 -6.556 -13.157 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -10.332 -7.978 -12.444 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -8.146 -8.194 -14.599 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -9.082 -9.593 -14.020 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.040 -9.208 -15.757 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.597 -8.931 -17.064 1.00 0.00 N ATOM 1327 CA ASP B 110 -10.473 -9.441 -18.435 1.00 0.00 C ATOM 1328 C ASP B 110 -11.466 -8.684 -19.327 1.00 0.00 C ATOM 1329 O ASP B 110 -11.437 -8.775 -20.556 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.692 -10.951 -18.504 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.086 -11.571 -19.746 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.897 -11.944 -19.699 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.801 -11.690 -20.765 1.00 0.00 O ATOM 0 H ASP B 110 -9.955 -8.167 -16.852 1.00 0.00 H new ATOM 0 HA ASP B 110 -9.457 -9.269 -18.792 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.258 -11.418 -17.620 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.761 -11.161 -18.482 1.00 0.00 H new ATOM 1338 N SER B 111 -12.300 -7.882 -18.661 1.00 0.00 N ATOM 1339 CA SER B 111 -13.276 -7.024 -19.301 1.00 0.00 C ATOM 1340 C SER B 111 -12.996 -5.588 -18.862 1.00 0.00 C ATOM 1341 O SER B 111 -12.643 -4.746 -19.684 1.00 0.00 O ATOM 1342 CB SER B 111 -14.704 -7.441 -18.927 1.00 0.00 C ATOM 1343 OG SER B 111 -15.462 -7.764 -20.085 1.00 0.00 O ATOM 0 H SER B 111 -12.309 -7.816 -17.643 1.00 0.00 H new ATOM 0 HA SER B 111 -13.194 -7.109 -20.385 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.672 -8.301 -18.258 1.00 0.00 H new ATOM 0 HB3 SER B 111 -15.192 -6.632 -18.383 1.00 0.00 H new ATOM 0 HG SER B 111 -16.368 -8.028 -19.820 1.00 0.00 H new ATOM 1349 N ASP B 112 -13.179 -5.319 -17.558 1.00 0.00 N ATOM 1350 CA ASP B 112 -12.968 -3.983 -16.990 1.00 0.00 C ATOM 1351 C ASP B 112 -11.682 -3.301 -17.511 1.00 0.00 C ATOM 1352 O ASP B 112 -11.747 -2.529 -18.472 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.974 -4.066 -15.461 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.965 -5.079 -14.930 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -13.641 -6.284 -14.947 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -15.064 -4.666 -14.514 1.00 0.00 O ATOM 0 H ASP B 112 -13.475 -6.017 -16.876 1.00 0.00 H new ATOM 0 HA ASP B 112 -13.793 -3.352 -17.321 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.974 -4.326 -15.112 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -13.210 -3.084 -15.050 1.00 0.00 H new ATOM 1361 N SER B 113 -10.518 -3.554 -16.876 1.00 0.00 N ATOM 1362 CA SER B 113 -9.245 -2.928 -17.304 1.00 0.00 C ATOM 1363 C SER B 113 -8.085 -3.302 -16.356 1.00 0.00 C ATOM 1364 O SER B 113 -7.252 -2.463 -16.014 1.00 0.00 O ATOM 1365 CB SER B 113 -9.390 -1.401 -17.359 1.00 0.00 C ATOM 1366 OG SER B 113 -9.851 -0.978 -18.631 1.00 0.00 O ATOM 0 H SER B 113 -10.431 -4.179 -16.075 1.00 0.00 H new ATOM 0 HA SER B 113 -9.013 -3.307 -18.299 1.00 0.00 H new ATOM 0 HB2 SER B 113 -10.086 -1.071 -16.588 1.00 0.00 H new ATOM 0 HB3 SER B 113 -8.429 -0.933 -17.143 1.00 0.00 H new ATOM 0 HG SER B 113 -10.513 -1.617 -18.968 1.00 0.00 H new ATOM 1372 N TYR B 114 -8.044 -4.567 -15.944 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.997 -5.072 -15.042 1.00 0.00 C ATOM 1374 C TYR B 114 -5.710 -5.471 -15.775 1.00 0.00 C ATOM 1375 O TYR B 114 -4.605 -5.207 -15.301 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.511 -6.277 -14.288 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.461 -7.338 -14.061 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.671 -7.318 -12.930 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.280 -8.366 -14.976 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.729 -8.296 -12.702 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.349 -9.351 -14.765 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.572 -9.320 -13.623 1.00 0.00 C ATOM 1383 OH TYR B 114 -3.640 -10.311 -13.411 1.00 0.00 O ATOM 0 H TYR B 114 -8.728 -5.271 -16.220 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.753 -4.254 -14.364 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.903 -5.953 -13.324 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.344 -6.713 -14.840 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.794 -6.521 -12.211 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -6.884 -8.391 -15.871 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.117 -8.266 -11.813 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.224 -10.145 -15.486 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.947 -11.143 -13.827 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.860 -6.196 -16.882 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.708 -6.730 -17.613 1.00 0.00 C ATOM 1395 C GLN B 115 -3.617 -5.682 -17.874 1.00 0.00 C ATOM 1396 O GLN B 115 -2.443 -5.996 -17.745 1.00 0.00 O ATOM 1397 CB GLN B 115 -5.155 -7.386 -18.924 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.331 -8.349 -18.771 1.00 0.00 C ATOM 1399 CD GLN B 115 -7.679 -7.659 -18.864 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -8.189 -7.139 -17.870 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -8.263 -7.648 -20.052 1.00 0.00 N ATOM 0 H GLN B 115 -6.764 -6.428 -17.293 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.259 -7.487 -16.970 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -5.429 -6.605 -19.633 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.311 -7.926 -19.354 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -6.268 -9.116 -19.543 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.255 -8.857 -17.810 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.806 -8.091 -20.849 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -9.170 -7.197 -20.170 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.974 -4.450 -18.226 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.959 -3.413 -18.472 1.00 0.00 C ATOM 1412 C LEU B 116 -1.995 -3.262 -17.275 1.00 0.00 C ATOM 1413 O LEU B 116 -0.777 -3.358 -17.431 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.636 -2.069 -18.765 1.00 0.00 C ATOM 1415 CG LEU B 116 -3.064 -1.311 -19.961 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -3.983 -0.169 -20.360 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -1.672 -0.787 -19.645 1.00 0.00 C ATOM 0 H LEU B 116 -4.939 -4.142 -18.347 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.375 -3.724 -19.338 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.698 -2.243 -18.937 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -3.556 -1.437 -17.880 1.00 0.00 H new ATOM 0 HG LEU B 116 -2.990 -2.002 -20.800 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.558 0.359 -21.214 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.961 -0.567 -20.630 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.090 0.521 -19.523 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -1.281 -0.250 -20.509 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -1.723 -0.112 -18.790 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -1.014 -1.623 -19.409 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.562 -2.998 -16.097 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.742 -2.800 -14.884 1.00 0.00 C ATOM 1431 C LEU B 117 -0.823 -3.989 -14.617 1.00 0.00 C ATOM 1432 O LEU B 117 0.365 -3.826 -14.333 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.590 -2.549 -13.659 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.201 -1.312 -12.858 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -1.051 -1.623 -11.922 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -1.825 -0.169 -13.777 1.00 0.00 C ATOM 0 H LEU B 117 -3.568 -2.916 -15.950 1.00 0.00 H new ATOM 0 HA LEU B 117 -1.134 -1.917 -15.079 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.631 -2.453 -13.968 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.530 -3.421 -13.007 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.066 -1.011 -12.266 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.788 -0.728 -11.359 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -1.348 -2.412 -11.231 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.189 -1.953 -12.502 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -1.551 0.702 -13.181 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -0.979 -0.464 -14.398 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -2.673 0.079 -14.415 1.00 0.00 H new ATOM 1448 N LYS B 118 -1.379 -5.182 -14.721 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.618 -6.412 -14.514 1.00 0.00 C ATOM 1450 C LYS B 118 0.303 -6.659 -15.701 1.00 0.00 C ATOM 1451 O LYS B 118 1.366 -7.262 -15.570 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.558 -7.595 -14.297 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.402 -7.900 -15.513 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.305 -9.368 -15.903 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.414 -9.558 -17.406 1.00 0.00 C ATOM 1456 NZ LYS B 118 -1.902 -10.895 -17.827 1.00 0.00 N ATOM 0 H LYS B 118 -2.362 -5.331 -14.949 1.00 0.00 H new ATOM 0 HA LYS B 118 -0.007 -6.302 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.972 -8.476 -14.036 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -2.211 -7.384 -13.450 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.442 -7.644 -15.309 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -2.078 -7.278 -16.348 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.357 -9.776 -15.552 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.097 -9.930 -15.407 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.455 -9.453 -17.713 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.851 -8.775 -17.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -1.991 -10.992 -18.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -0.902 -10.985 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -2.456 -11.641 -17.360 1.00 0.00 H new ATOM 1470 N ALA B 119 -0.110 -6.136 -16.849 1.00 0.00 N ATOM 1471 CA ALA B 119 0.674 -6.229 -18.074 1.00 0.00 C ATOM 1472 C ALA B 119 1.912 -5.342 -17.951 1.00 0.00 C ATOM 1473 O ALA B 119 2.865 -5.468 -18.719 1.00 0.00 O ATOM 1474 CB ALA B 119 -0.159 -5.832 -19.287 1.00 0.00 C ATOM 0 H ALA B 119 -0.993 -5.638 -16.957 1.00 0.00 H new ATOM 0 HA ALA B 119 0.987 -7.263 -18.217 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.450 -5.910 -20.188 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -1.019 -6.497 -19.371 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -0.505 -4.805 -19.171 1.00 0.00 H new ATOM 1480 N TYR B 120 1.887 -4.462 -16.944 1.00 0.00 N ATOM 1481 CA TYR B 120 2.987 -3.569 -16.657 1.00 0.00 C ATOM 1482 C TYR B 120 3.957 -4.284 -15.726 1.00 0.00 C ATOM 1483 O TYR B 120 5.164 -4.237 -15.950 1.00 0.00 O ATOM 1484 CB TYR B 120 2.472 -2.300 -15.971 1.00 0.00 C ATOM 1485 CG TYR B 120 2.254 -1.120 -16.888 1.00 0.00 C ATOM 1486 CD1 TYR B 120 1.707 -1.269 -18.156 1.00 0.00 C ATOM 1487 CD2 TYR B 120 2.583 0.155 -16.464 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.502 -0.171 -18.974 1.00 0.00 C ATOM 1489 CE2 TYR B 120 2.379 1.251 -17.267 1.00 0.00 C ATOM 1490 CZ TYR B 120 1.839 1.088 -18.523 1.00 0.00 C ATOM 1491 OH TYR B 120 1.627 2.187 -19.324 1.00 0.00 O ATOM 0 H TYR B 120 1.095 -4.358 -16.310 1.00 0.00 H new ATOM 0 HA TYR B 120 3.484 -3.290 -17.586 1.00 0.00 H new ATOM 0 HB2 TYR B 120 1.531 -2.532 -15.472 1.00 0.00 H new ATOM 0 HB3 TYR B 120 3.181 -2.011 -15.195 1.00 0.00 H new ATOM 0 HD1 TYR B 120 1.438 -2.254 -18.508 1.00 0.00 H new ATOM 0 HD2 TYR B 120 3.009 0.292 -15.481 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.080 -0.300 -19.960 1.00 0.00 H new ATOM 0 HE2 TYR B 120 2.641 2.237 -16.914 1.00 0.00 H new ATOM 0 HH TYR B 120 1.218 2.903 -18.795 1.00 0.00 H new ATOM 1501 N ASP B 121 3.379 -4.953 -14.698 1.00 0.00 N ATOM 1502 CA ASP B 121 4.115 -5.738 -13.676 1.00 0.00 C ATOM 1503 C ASP B 121 3.713 -5.321 -12.260 1.00 0.00 C ATOM 1504 O ASP B 121 4.329 -5.735 -11.276 1.00 0.00 O ATOM 1505 CB ASP B 121 5.632 -5.610 -13.817 1.00 0.00 C ATOM 1506 CG ASP B 121 6.242 -6.712 -14.666 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.622 -7.108 -15.676 1.00 0.00 O ATOM 1508 OD2 ASP B 121 7.342 -7.184 -14.314 1.00 0.00 O ATOM 0 H ASP B 121 2.369 -4.962 -14.553 1.00 0.00 H new ATOM 0 HA ASP B 121 3.840 -6.779 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.870 -4.643 -14.260 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.087 -5.628 -12.826 1.00 0.00 H new ATOM 1513 N VAL B 122 2.678 -4.502 -12.165 1.00 0.00 N ATOM 1514 CA VAL B 122 2.180 -4.014 -10.892 1.00 0.00 C ATOM 1515 C VAL B 122 0.931 -4.766 -10.467 1.00 0.00 C ATOM 1516 O VAL B 122 0.722 -4.999 -9.273 1.00 0.00 O ATOM 1517 CB VAL B 122 1.863 -2.513 -11.008 1.00 0.00 C ATOM 1518 CG1 VAL B 122 1.258 -1.972 -9.721 1.00 0.00 C ATOM 1519 CG2 VAL B 122 3.109 -1.723 -11.386 1.00 0.00 C ATOM 0 H VAL B 122 2.159 -4.157 -12.972 1.00 0.00 H new ATOM 0 HA VAL B 122 2.949 -4.176 -10.137 1.00 0.00 H new ATOM 0 HB VAL B 122 1.125 -2.394 -11.801 1.00 0.00 H new ATOM 0 HG11 VAL B 122 1.046 -0.909 -9.837 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.333 -2.505 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL B 122 1.961 -2.114 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.860 -0.665 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL B 122 3.874 -1.862 -10.622 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.487 -2.077 -12.345 1.00 0.00 H new ATOM 1529 N ASN B 123 0.085 -5.121 -11.435 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.147 -5.812 -11.120 1.00 0.00 C ATOM 1531 C ASN B 123 -1.885 -4.962 -10.091 1.00 0.00 C ATOM 1532 O ASN B 123 -2.214 -3.806 -10.359 1.00 0.00 O ATOM 1533 CB ASN B 123 -0.850 -7.228 -10.583 1.00 0.00 C ATOM 1534 CG ASN B 123 0.021 -8.059 -11.511 1.00 0.00 C ATOM 1535 OD1 ASN B 123 0.890 -7.540 -12.205 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -0.201 -9.363 -11.519 1.00 0.00 N ATOM 0 H ASN B 123 0.235 -4.941 -12.428 1.00 0.00 H new ATOM 0 HA ASN B 123 -1.765 -5.941 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.358 -7.144 -9.614 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -1.792 -7.750 -10.418 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.359 -9.972 -12.115 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -0.932 -9.759 -10.929 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.142 -5.509 -8.919 1.00 0.00 N ATOM 1544 CA ILE B 124 -2.831 -4.725 -7.911 1.00 0.00 C ATOM 1545 C ILE B 124 -2.285 -4.854 -6.505 1.00 0.00 C ATOM 1546 O ILE B 124 -2.829 -4.232 -5.590 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.340 -4.964 -7.887 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.708 -6.142 -8.756 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.061 -3.716 -8.359 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.009 -7.399 -8.337 1.00 0.00 C ATOM 0 H ILE B 124 -1.895 -6.460 -8.646 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.632 -3.704 -8.237 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.644 -5.189 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -5.786 -6.298 -8.715 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.457 -5.918 -9.793 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.137 -3.889 -8.341 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.816 -2.883 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.749 -3.478 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.307 -8.217 -8.993 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -2.931 -7.255 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.280 -7.641 -7.309 1.00 0.00 H new ATOM 1562 N SER B 125 -1.236 -5.647 -6.313 1.00 0.00 N ATOM 1563 CA SER B 125 -0.682 -5.801 -4.973 1.00 0.00 C ATOM 1564 C SER B 125 -0.621 -4.422 -4.301 1.00 0.00 C ATOM 1565 O SER B 125 -1.329 -4.151 -3.316 1.00 0.00 O ATOM 1566 CB SER B 125 0.715 -6.425 -5.032 1.00 0.00 C ATOM 1567 OG SER B 125 1.517 -5.793 -6.022 1.00 0.00 O ATOM 0 H SER B 125 -0.764 -6.179 -7.044 1.00 0.00 H new ATOM 0 HA SER B 125 -1.321 -6.467 -4.393 1.00 0.00 H new ATOM 0 HB2 SER B 125 1.197 -6.337 -4.058 1.00 0.00 H new ATOM 0 HB3 SER B 125 0.632 -7.489 -5.252 1.00 0.00 H new ATOM 0 HG SER B 125 2.404 -6.209 -6.038 1.00 0.00 H new ATOM 1573 N GLY B 126 0.203 -3.540 -4.869 1.00 0.00 N ATOM 1574 CA GLY B 126 0.330 -2.189 -4.349 1.00 0.00 C ATOM 1575 C GLY B 126 -0.755 -1.254 -4.860 1.00 0.00 C ATOM 1576 O GLY B 126 -1.133 -0.311 -4.165 1.00 0.00 O ATOM 0 H GLY B 126 0.785 -3.740 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY B 126 0.293 -2.219 -3.260 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.306 -1.789 -4.624 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.272 -1.511 -6.071 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.311 -0.680 -6.641 1.00 0.00 C ATOM 1582 C LEU B 127 -3.542 -0.666 -5.754 1.00 0.00 C ATOM 1583 O LEU B 127 -3.920 0.388 -5.243 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.691 -1.206 -8.013 1.00 0.00 C ATOM 1585 CG LEU B 127 -3.583 -0.301 -8.838 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -3.756 -0.896 -10.211 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -4.921 -0.142 -8.158 1.00 0.00 C ATOM 0 H LEU B 127 -0.980 -2.289 -6.663 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.927 0.337 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.777 -1.396 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.193 -2.165 -7.888 1.00 0.00 H new ATOM 0 HG LEU B 127 -3.125 0.684 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.397 -0.249 -10.810 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -2.783 -0.988 -10.693 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.214 -1.882 -10.125 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -5.558 0.510 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.395 -1.118 -8.055 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.778 0.297 -7.171 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.163 -1.839 -5.554 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.335 -1.914 -4.717 1.00 0.00 C ATOM 1601 C VAL B 128 -5.059 -1.244 -3.377 1.00 0.00 C ATOM 1602 O VAL B 128 -5.636 -0.217 -3.059 1.00 0.00 O ATOM 1603 CB VAL B 128 -5.753 -3.379 -4.519 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.551 -3.549 -3.243 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.538 -3.862 -5.732 1.00 0.00 C ATOM 0 H VAL B 128 -3.867 -2.727 -5.960 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.156 -1.389 -5.204 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.856 -3.990 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -6.834 -4.595 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -5.945 -3.241 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.449 -2.933 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -6.831 -4.901 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.430 -3.247 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -5.915 -3.783 -6.623 1.00 0.00 H new ATOM 1615 N SER B 129 -4.164 -1.842 -2.613 1.00 0.00 N ATOM 1616 CA SER B 129 -3.780 -1.355 -1.296 1.00 0.00 C ATOM 1617 C SER B 129 -3.451 0.148 -1.252 1.00 0.00 C ATOM 1618 O SER B 129 -3.932 0.850 -0.359 1.00 0.00 O ATOM 1619 CB SER B 129 -2.558 -2.144 -0.820 1.00 0.00 C ATOM 1620 OG SER B 129 -1.541 -2.159 -1.812 1.00 0.00 O ATOM 0 H SER B 129 -3.675 -2.692 -2.892 1.00 0.00 H new ATOM 0 HA SER B 129 -4.642 -1.501 -0.645 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.170 -1.701 0.097 1.00 0.00 H new ATOM 0 HB3 SER B 129 -2.852 -3.166 -0.580 1.00 0.00 H new ATOM 0 HG SER B 129 -1.806 -2.755 -2.543 1.00 0.00 H new ATOM 1626 N THR B 130 -2.645 0.656 -2.183 1.00 0.00 N ATOM 1627 CA THR B 130 -2.303 2.076 -2.165 1.00 0.00 C ATOM 1628 C THR B 130 -3.496 2.911 -2.562 1.00 0.00 C ATOM 1629 O THR B 130 -3.812 3.918 -1.921 1.00 0.00 O ATOM 1630 CB THR B 130 -1.118 2.374 -3.082 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.383 3.480 -2.584 1.00 0.00 O ATOM 1632 CG2 THR B 130 -1.496 2.691 -4.515 1.00 0.00 C ATOM 0 H THR B 130 -2.225 0.120 -2.942 1.00 0.00 H new ATOM 0 HA THR B 130 -2.014 2.336 -1.147 1.00 0.00 H new ATOM 0 HB THR B 130 -0.531 1.455 -3.089 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.375 3.663 -3.177 1.00 0.00 H new ATOM 0 HG21 THR B 130 -0.594 2.889 -5.094 1.00 0.00 H new ATOM 0 HG22 THR B 130 -2.026 1.842 -4.948 1.00 0.00 H new ATOM 0 HG23 THR B 130 -2.141 3.570 -4.535 1.00 0.00 H new ATOM 1640 N THR B 131 -4.152 2.492 -3.633 1.00 0.00 N ATOM 1641 CA THR B 131 -5.309 3.213 -4.111 1.00 0.00 C ATOM 1642 C THR B 131 -6.456 3.125 -3.100 1.00 0.00 C ATOM 1643 O THR B 131 -7.220 4.079 -2.921 1.00 0.00 O ATOM 1644 CB THR B 131 -5.742 2.741 -5.503 1.00 0.00 C ATOM 1645 OG1 THR B 131 -5.345 3.695 -6.474 1.00 0.00 O ATOM 1646 CG2 THR B 131 -7.236 2.539 -5.658 1.00 0.00 C ATOM 0 H THR B 131 -3.903 1.667 -4.178 1.00 0.00 H new ATOM 0 HA THR B 131 -5.029 4.262 -4.211 1.00 0.00 H new ATOM 0 HB THR B 131 -5.259 1.774 -5.642 1.00 0.00 H new ATOM 0 HG1 THR B 131 -6.122 4.224 -6.750 1.00 0.00 H new ATOM 0 HG21 THR B 131 -7.455 2.205 -6.672 1.00 0.00 H new ATOM 0 HG22 THR B 131 -7.577 1.787 -4.947 1.00 0.00 H new ATOM 0 HG23 THR B 131 -7.752 3.480 -5.467 1.00 0.00 H new ATOM 1654 N MET B 132 -6.557 1.976 -2.430 1.00 0.00 N ATOM 1655 CA MET B 132 -7.588 1.749 -1.431 1.00 0.00 C ATOM 1656 C MET B 132 -7.476 2.747 -0.283 1.00 0.00 C ATOM 1657 O MET B 132 -8.425 3.461 0.000 1.00 0.00 O ATOM 1658 CB MET B 132 -7.504 0.315 -0.892 1.00 0.00 C ATOM 1659 CG MET B 132 -7.868 -0.746 -1.920 1.00 0.00 C ATOM 1660 SD MET B 132 -9.388 -1.605 -1.513 1.00 0.00 S ATOM 1661 CE MET B 132 -9.583 -2.653 -2.929 1.00 0.00 C ATOM 0 H MET B 132 -5.928 1.185 -2.567 1.00 0.00 H new ATOM 0 HA MET B 132 -8.555 1.892 -1.912 1.00 0.00 H new ATOM 0 HB2 MET B 132 -6.491 0.129 -0.534 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.168 0.219 -0.033 1.00 0.00 H new ATOM 0 HG2 MET B 132 -7.970 -0.278 -2.899 1.00 0.00 H new ATOM 0 HG3 MET B 132 -7.055 -1.468 -1.995 1.00 0.00 H new ATOM 0 HE1 MET B 132 -10.642 -2.859 -3.086 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.176 -2.155 -3.809 1.00 0.00 H new ATOM 0 HE3 MET B 132 -9.052 -3.590 -2.764 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.315 2.798 0.377 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.115 3.725 1.499 1.00 0.00 C ATOM 1673 C GLN B 133 -6.466 5.156 1.115 1.00 0.00 C ATOM 1674 O GLN B 133 -7.095 5.877 1.889 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.673 3.686 1.995 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.520 4.140 3.445 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.297 5.010 3.677 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -3.386 6.092 4.268 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.146 4.545 3.220 1.00 0.00 N ATOM 0 H GLN B 133 -5.506 2.216 0.158 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.783 3.398 2.296 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.290 2.670 1.897 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.059 4.321 1.356 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.412 4.693 3.741 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.460 3.262 4.089 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -2.114 3.647 2.737 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -1.290 5.084 3.350 1.00 0.00 H new ATOM 1688 N ASN B 134 -6.061 5.562 -0.084 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.344 6.911 -0.557 1.00 0.00 C ATOM 1690 C ASN B 134 -7.842 7.138 -0.666 1.00 0.00 C ATOM 1691 O ASN B 134 -8.374 8.060 -0.047 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.672 7.155 -1.907 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.531 8.142 -1.841 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.561 9.099 -1.071 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -3.515 7.914 -2.663 1.00 0.00 N ATOM 0 H ASN B 134 -5.540 4.981 -0.741 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.940 7.619 0.167 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -5.300 6.207 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -6.417 7.519 -2.614 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -2.715 8.547 -2.673 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -3.534 7.106 -3.285 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.535 6.283 -1.413 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.980 6.421 -1.535 1.00 0.00 C ATOM 1704 C GLU B 135 -10.676 5.955 -0.255 1.00 0.00 C ATOM 1705 O GLU B 135 -11.868 6.198 -0.069 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.515 5.676 -2.760 1.00 0.00 C ATOM 1707 CG GLU B 135 -11.574 6.466 -3.531 1.00 0.00 C ATOM 1708 CD GLU B 135 -11.297 7.961 -3.577 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -11.754 8.688 -2.660 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -10.624 8.413 -4.524 1.00 0.00 O ATOM 0 H GLU B 135 -8.129 5.504 -1.932 1.00 0.00 H new ATOM 0 HA GLU B 135 -10.204 7.478 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.685 5.446 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -10.941 4.725 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -11.632 6.083 -4.550 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -12.548 6.298 -3.071 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.912 5.345 0.656 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.427 4.912 1.943 1.00 0.00 C ATOM 1719 C ALA B 136 -10.426 6.114 2.878 1.00 0.00 C ATOM 1720 O ALA B 136 -11.393 6.365 3.598 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.559 3.789 2.503 1.00 0.00 C ATOM 0 H ALA B 136 -8.922 5.141 0.515 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.441 4.526 1.839 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -9.953 3.471 3.468 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.566 2.945 1.813 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.537 4.147 2.629 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.331 6.880 2.811 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.183 8.098 3.592 1.00 0.00 C ATOM 1729 C ARG B 137 -10.042 9.184 2.994 1.00 0.00 C ATOM 1730 O ARG B 137 -10.822 9.845 3.678 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.751 8.595 3.533 1.00 0.00 C ATOM 1732 CG ARG B 137 -6.964 8.397 4.812 1.00 0.00 C ATOM 1733 CD ARG B 137 -5.473 8.419 4.535 1.00 0.00 C ATOM 1734 NE ARG B 137 -4.837 9.636 5.050 1.00 0.00 N ATOM 1735 CZ ARG B 137 -3.573 9.711 5.443 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -2.778 8.656 5.350 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -3.107 10.851 5.917 1.00 0.00 N ATOM 0 H ARG B 137 -8.531 6.668 2.215 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.471 7.876 4.619 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.235 8.083 2.721 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.758 9.657 3.286 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.218 9.181 5.526 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.239 7.447 5.271 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -5.007 7.545 4.991 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.303 8.348 3.461 1.00 0.00 H new ATOM 0 HE ARG B 137 -5.405 10.481 5.110 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -3.137 7.778 4.974 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -1.807 8.721 5.654 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.718 11.665 5.979 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -2.136 10.918 6.222 1.00 0.00 H new ATOM 1751 N ARG B 138 -9.851 9.367 1.694 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.566 10.380 0.956 1.00 0.00 C ATOM 1753 C ARG B 138 -12.067 10.082 0.950 1.00 0.00 C ATOM 1754 O ARG B 138 -12.868 10.970 1.228 1.00 0.00 O ATOM 1755 CB ARG B 138 -10.024 10.489 -0.476 1.00 0.00 C ATOM 1756 CG ARG B 138 -8.735 11.297 -0.590 1.00 0.00 C ATOM 1757 CD ARG B 138 -7.679 10.803 0.387 1.00 0.00 C ATOM 1758 NE ARG B 138 -6.539 11.713 0.491 1.00 0.00 N ATOM 1759 CZ ARG B 138 -6.572 12.893 1.103 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -7.700 13.359 1.608 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -5.470 13.608 1.203 1.00 0.00 N ATOM 0 H ARG B 138 -9.200 8.818 1.132 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.412 11.339 1.450 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -9.848 9.486 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.785 10.947 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -8.351 11.229 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -8.946 12.349 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.130 10.678 1.371 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -7.328 9.821 0.070 1.00 0.00 H new ATOM 0 HE ARG B 138 -5.659 11.423 0.065 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -8.558 12.812 1.531 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -7.713 14.266 2.075 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -4.596 13.256 0.812 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -5.491 14.514 1.672 1.00 0.00 H new