USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 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 33 GLN : amide:sc= 0 X(o=1.1,f=0.99) USER MOD Set 1.2: B 113 SER OG : rot 41:sc= 1.08 USER MOD Set 2.1: A 11 SER OG : rot -9:sc= 0.966 USER MOD Set 2.2: B 102 LYS NZ :NH3+ 151:sc= 1.04! (180deg=0.661) USER MOD Set 3.1: A 18 LYS NZ :NH3+ 169:sc= 0.952 (180deg=0) USER MOD Set 3.2: B 103 GLN : amide:sc= -0.169 K(o=0.78,f=-14!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -120:sc= -2.81! USER MOD Single : A 8 THR OG1 : rot 50:sc= 0.0558 USER MOD Single : A 13 SER OG : rot 150:sc= -0.0205 USER MOD Single : A 14 TYR OH : rot 150:sc= -1.94! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 150:sc= -0.677 USER MOD Single : A 23 ASN : amide:sc= 0.18 K(o=0.18,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 136:sc= 0.116 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -130:sc= 0 USER MOD Single : A 32 MET CE :methyl -108:sc= -17.8! (180deg=-21.9!) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.499 F(o=-1.1,f=-0.5) USER MOD Single : B 106 THR OG1 : rot -80:sc= -3.07! USER MOD Single : B 108 THR OG1 : rot 42:sc= 0.746 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 114 TYR OH : rot -175:sc= -1.45! USER MOD Single : B 115 GLN : amide:sc= -1.88! X(o=-1.9!,f=-1.4) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 130:sc= -0.761 USER MOD Single : B 123 ASN : amide:sc= -3.1 K(o=-3.1,f=-9.9!) USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot -116:sc= -1.07! USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot -170:sc= -0.26 USER MOD Single : B 132 MET CE :methyl 152:sc= -17.5! (180deg=-20.1!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.0725 K(o=-0.072,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.149 -11.049 13.109 1.00 0.00 N ATOM 21 CA LYS A 2 4.107 -10.658 11.694 1.00 0.00 C ATOM 22 C LYS A 2 2.775 -11.054 11.072 1.00 0.00 C ATOM 23 O LYS A 2 2.500 -12.236 10.861 1.00 0.00 O ATOM 24 CB LYS A 2 5.254 -11.281 10.887 1.00 0.00 C ATOM 25 CG LYS A 2 6.541 -10.473 10.922 1.00 0.00 C ATOM 26 CD LYS A 2 7.327 -10.732 12.200 1.00 0.00 C ATOM 27 CE LYS A 2 8.787 -11.032 11.908 1.00 0.00 C ATOM 28 NZ LYS A 2 9.533 -9.809 11.492 1.00 0.00 N ATOM 0 HA LYS A 2 4.222 -9.575 11.660 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.454 -12.281 11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.936 -11.395 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.155 -10.727 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.307 -9.411 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.257 -9.862 12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.883 -11.570 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.255 -11.458 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.853 -11.783 11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.525 -10.056 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.103 -9.416 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.492 -9.102 12.253 1.00 0.00 H new ATOM 42 N GLN A 3 1.953 -10.063 10.772 1.00 0.00 N ATOM 43 CA GLN A 3 0.663 -10.320 10.169 1.00 0.00 C ATOM 44 C GLN A 3 0.697 -9.981 8.701 1.00 0.00 C ATOM 45 O GLN A 3 0.726 -8.813 8.317 1.00 0.00 O ATOM 46 CB GLN A 3 -0.438 -9.532 10.885 1.00 0.00 C ATOM 47 CG GLN A 3 -1.800 -9.659 10.226 1.00 0.00 C ATOM 48 CD GLN A 3 -2.502 -10.957 10.571 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.090 -11.090 11.640 1.00 0.00 O ATOM 50 NE2 GLN A 3 -2.450 -11.919 9.661 1.00 0.00 N ATOM 0 H GLN A 3 2.158 -9.077 10.937 1.00 0.00 H new ATOM 0 HA GLN A 3 0.437 -11.381 10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.509 -9.877 11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.157 -8.480 10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.426 -8.821 10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.683 -9.591 9.144 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.950 -11.766 8.785 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.910 -12.812 9.836 1.00 0.00 H new ATOM 59 N ARG A 4 0.692 -11.013 7.879 1.00 0.00 N ATOM 60 CA ARG A 4 0.736 -10.807 6.452 1.00 0.00 C ATOM 61 C ARG A 4 -0.627 -10.407 5.926 1.00 0.00 C ATOM 62 O ARG A 4 -1.510 -11.244 5.733 1.00 0.00 O ATOM 63 CB ARG A 4 1.235 -12.048 5.712 1.00 0.00 C ATOM 64 CG ARG A 4 2.025 -11.693 4.465 1.00 0.00 C ATOM 65 CD ARG A 4 2.856 -12.864 3.965 1.00 0.00 C ATOM 66 NE ARG A 4 4.263 -12.716 4.338 1.00 0.00 N ATOM 67 CZ ARG A 4 5.058 -13.710 4.709 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.656 -14.963 4.635 1.00 0.00 N ATOM 69 NH2 ARG A 4 6.274 -13.450 5.136 1.00 0.00 N ATOM 0 H ARG A 4 0.658 -11.989 8.174 1.00 0.00 H new ATOM 0 HA ARG A 4 1.443 -9.998 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.860 -12.640 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.384 -12.671 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.339 -11.374 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.680 -10.849 4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 4 2.464 -13.793 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.771 -12.936 2.881 1.00 0.00 H new ATOM 0 HE ARG A 4 4.662 -11.778 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.721 -15.179 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.280 -15.717 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.603 -12.486 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.888 -14.213 5.422 1.00 0.00 H new ATOM 83 N ILE A 5 -0.767 -9.121 5.655 1.00 0.00 N ATOM 84 CA ILE A 5 -1.982 -8.579 5.095 1.00 0.00 C ATOM 85 C ILE A 5 -1.658 -8.226 3.665 1.00 0.00 C ATOM 86 O ILE A 5 -0.648 -7.576 3.399 1.00 0.00 O ATOM 87 CB ILE A 5 -2.507 -7.346 5.880 1.00 0.00 C ATOM 88 CG1 ILE A 5 -2.477 -6.069 5.026 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.724 -7.162 7.178 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.150 -5.338 5.039 1.00 0.00 C ATOM 0 H ILE A 5 -0.038 -8.427 5.819 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.788 -9.311 5.156 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.550 -7.535 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.725 -6.329 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.254 -5.392 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.107 -6.293 7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.836 -8.050 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.669 -7.011 6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.218 -4.450 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.907 -5.043 6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.369 -5.995 4.656 1.00 0.00 H new ATOM 102 N THR A 6 -2.449 -8.712 2.740 1.00 0.00 N ATOM 103 CA THR A 6 -2.150 -8.480 1.343 1.00 0.00 C ATOM 104 C THR A 6 -3.356 -7.942 0.566 1.00 0.00 C ATOM 105 O THR A 6 -4.423 -8.556 0.554 1.00 0.00 O ATOM 106 CB THR A 6 -1.589 -9.786 0.725 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.357 -10.212 -0.382 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.515 -10.956 1.695 1.00 0.00 C ATOM 0 H THR A 6 -3.290 -9.261 2.920 1.00 0.00 H new ATOM 0 HA THR A 6 -1.393 -7.699 1.272 1.00 0.00 H new ATOM 0 HB THR A 6 -0.576 -9.517 0.426 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.719 -11.105 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.112 -11.829 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.866 -10.695 2.531 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.514 -11.183 2.068 1.00 0.00 H new ATOM 116 N VAL A 7 -3.152 -6.822 -0.146 1.00 0.00 N ATOM 117 CA VAL A 7 -4.188 -6.233 -1.001 1.00 0.00 C ATOM 118 C VAL A 7 -3.877 -6.640 -2.434 1.00 0.00 C ATOM 119 O VAL A 7 -2.885 -6.185 -3.005 1.00 0.00 O ATOM 120 CB VAL A 7 -4.293 -4.660 -0.876 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.250 -4.116 0.089 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.185 -3.936 -2.236 1.00 0.00 C ATOM 0 H VAL A 7 -2.272 -6.306 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.160 -6.608 -0.679 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.289 -4.456 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.346 -3.032 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.403 -4.555 1.075 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.253 -4.371 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.264 -2.860 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.224 -4.167 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.990 -4.269 -2.891 1.00 0.00 H new ATOM 132 N THR A 8 -4.678 -7.521 -3.010 1.00 0.00 N ATOM 133 CA THR A 8 -4.427 -7.964 -4.366 1.00 0.00 C ATOM 134 C THR A 8 -4.721 -6.836 -5.348 1.00 0.00 C ATOM 135 O THR A 8 -5.864 -6.642 -5.764 1.00 0.00 O ATOM 136 CB THR A 8 -5.253 -9.205 -4.690 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.572 -9.093 -4.188 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.653 -10.475 -4.132 1.00 0.00 C ATOM 0 H THR A 8 -5.496 -7.937 -2.565 1.00 0.00 H new ATOM 0 HA THR A 8 -3.375 -8.233 -4.458 1.00 0.00 H new ATOM 0 HB THR A 8 -5.261 -9.266 -5.778 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.951 -8.230 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.286 -11.323 -4.395 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.657 -10.621 -4.551 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.583 -10.398 -3.047 1.00 0.00 H new ATOM 146 N VAL A 9 -3.680 -6.087 -5.704 1.00 0.00 N ATOM 147 CA VAL A 9 -3.825 -4.970 -6.627 1.00 0.00 C ATOM 148 C VAL A 9 -3.758 -5.449 -8.072 1.00 0.00 C ATOM 149 O VAL A 9 -4.481 -6.376 -8.421 1.00 0.00 O ATOM 150 CB VAL A 9 -2.794 -3.854 -6.369 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.258 -2.553 -7.011 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.589 -3.662 -4.879 1.00 0.00 C ATOM 0 H VAL A 9 -2.729 -6.235 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.809 -4.537 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.843 -4.145 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.522 -1.771 -6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.368 -2.697 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.217 -2.259 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.858 -2.871 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.536 -3.386 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.226 -4.591 -4.439 1.00 0.00 H new ATOM 162 N ASP A 10 -2.966 -4.777 -8.935 1.00 0.00 N ATOM 163 CA ASP A 10 -2.905 -5.111 -10.363 1.00 0.00 C ATOM 164 C ASP A 10 -4.085 -4.429 -11.072 1.00 0.00 C ATOM 165 O ASP A 10 -4.144 -4.356 -12.300 1.00 0.00 O ATOM 166 CB ASP A 10 -2.892 -6.632 -10.582 1.00 0.00 C ATOM 167 CG ASP A 10 -3.170 -7.043 -12.016 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.207 -7.154 -12.803 1.00 0.00 O ATOM 169 OD2 ASP A 10 -4.359 -7.267 -12.340 1.00 0.00 O ATOM 0 H ASP A 10 -2.363 -4.001 -8.662 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.974 -4.741 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.921 -7.025 -10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.636 -7.091 -9.931 1.00 0.00 H new ATOM 174 N SER A 11 -5.003 -3.889 -10.262 1.00 0.00 N ATOM 175 CA SER A 11 -6.167 -3.166 -10.748 1.00 0.00 C ATOM 176 C SER A 11 -6.268 -1.799 -10.058 1.00 0.00 C ATOM 177 O SER A 11 -6.326 -0.775 -10.731 1.00 0.00 O ATOM 178 CB SER A 11 -7.445 -3.979 -10.507 1.00 0.00 C ATOM 179 OG SER A 11 -7.684 -4.889 -11.578 1.00 0.00 O ATOM 0 H SER A 11 -4.952 -3.946 -9.245 1.00 0.00 H new ATOM 0 HA SER A 11 -6.055 -3.010 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.358 -4.530 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.295 -3.304 -10.403 1.00 0.00 H new ATOM 0 HG SER A 11 -7.061 -4.702 -12.311 1.00 0.00 H new ATOM 185 N ASP A 12 -6.350 -1.801 -8.715 1.00 0.00 N ATOM 186 CA ASP A 12 -6.510 -0.573 -7.932 1.00 0.00 C ATOM 187 C ASP A 12 -5.517 0.564 -8.279 1.00 0.00 C ATOM 188 O ASP A 12 -5.717 1.281 -9.263 1.00 0.00 O ATOM 189 CB ASP A 12 -6.435 -0.929 -6.461 1.00 0.00 C ATOM 190 CG ASP A 12 -7.803 -1.205 -5.877 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.552 -0.235 -5.641 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.127 -2.393 -5.672 1.00 0.00 O ATOM 0 H ASP A 12 -6.307 -2.649 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.485 -0.160 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.801 -1.806 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.964 -0.112 -5.913 1.00 0.00 H new ATOM 197 N SER A 13 -4.468 0.768 -7.460 1.00 0.00 N ATOM 198 CA SER A 13 -3.491 1.847 -7.696 1.00 0.00 C ATOM 199 C SER A 13 -2.289 1.714 -6.737 1.00 0.00 C ATOM 200 O SER A 13 -1.721 2.704 -6.273 1.00 0.00 O ATOM 201 CB SER A 13 -4.156 3.215 -7.507 1.00 0.00 C ATOM 202 OG SER A 13 -3.906 4.065 -8.617 1.00 0.00 O ATOM 0 H SER A 13 -4.276 0.203 -6.633 1.00 0.00 H new ATOM 0 HA SER A 13 -3.131 1.762 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.231 3.085 -7.380 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.781 3.682 -6.596 1.00 0.00 H new ATOM 0 HG SER A 13 -4.658 4.683 -8.732 1.00 0.00 H new ATOM 208 N TYR A 14 -1.917 0.464 -6.464 1.00 0.00 N ATOM 209 CA TYR A 14 -0.792 0.125 -5.581 1.00 0.00 C ATOM 210 C TYR A 14 0.542 0.208 -6.324 1.00 0.00 C ATOM 211 O TYR A 14 1.564 0.614 -5.765 1.00 0.00 O ATOM 212 CB TYR A 14 -0.993 -1.288 -5.065 1.00 0.00 C ATOM 213 CG TYR A 14 0.253 -2.128 -5.095 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.110 -2.130 -4.021 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.559 -2.916 -6.191 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.251 -2.900 -4.020 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.697 -3.691 -6.210 1.00 0.00 C ATOM 218 CZ TYR A 14 2.544 -3.685 -5.118 1.00 0.00 C ATOM 219 OH TYR A 14 3.682 -4.458 -5.131 1.00 0.00 O ATOM 0 H TYR A 14 -2.390 -0.353 -6.851 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.764 0.838 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.364 -1.242 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.764 -1.776 -5.661 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.884 -1.516 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.104 -2.923 -7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.913 -2.890 -3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.926 -4.299 -7.072 1.00 0.00 H new ATOM 0 HH TYR A 14 3.530 -5.255 -5.681 1.00 0.00 H new ATOM 229 N GLN A 15 0.517 -0.243 -7.577 1.00 0.00 N ATOM 230 CA GLN A 15 1.707 -0.308 -8.424 1.00 0.00 C ATOM 231 C GLN A 15 2.533 0.982 -8.428 1.00 0.00 C ATOM 232 O GLN A 15 3.743 0.912 -8.318 1.00 0.00 O ATOM 233 CB GLN A 15 1.299 -0.659 -9.862 1.00 0.00 C ATOM 234 CG GLN A 15 -0.138 -0.276 -10.205 1.00 0.00 C ATOM 235 CD GLN A 15 -0.373 -0.124 -11.694 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.230 -1.077 -12.452 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.744 1.075 -12.119 1.00 0.00 N ATOM 0 H GLN A 15 -0.332 -0.575 -8.035 1.00 0.00 H new ATOM 0 HA GLN A 15 2.344 -1.084 -8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.974 -0.156 -10.554 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.426 -1.731 -10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.814 -1.036 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.387 0.661 -9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.851 1.841 -11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.922 1.232 -13.111 1.00 0.00 H new ATOM 246 N LEU A 16 1.906 2.147 -8.558 1.00 0.00 N ATOM 247 CA LEU A 16 2.665 3.409 -8.575 1.00 0.00 C ATOM 248 C LEU A 16 3.566 3.553 -7.337 1.00 0.00 C ATOM 249 O LEU A 16 4.740 3.904 -7.448 1.00 0.00 O ATOM 250 CB LEU A 16 1.720 4.605 -8.655 1.00 0.00 C ATOM 251 CG LEU A 16 1.993 5.572 -9.811 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.797 6.482 -10.044 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.240 6.397 -9.530 1.00 0.00 C ATOM 0 H LEU A 16 0.896 2.252 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 16 3.301 3.385 -9.460 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.698 4.236 -8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.778 5.158 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 16 2.160 4.986 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.012 7.161 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.077 5.879 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.598 7.060 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.420 7.079 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.098 6.971 -8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.097 5.733 -9.413 1.00 0.00 H new ATOM 265 N LEU A 17 2.986 3.287 -6.169 1.00 0.00 N ATOM 266 CA LEU A 17 3.736 3.399 -4.909 1.00 0.00 C ATOM 267 C LEU A 17 4.955 2.480 -4.911 1.00 0.00 C ATOM 268 O LEU A 17 6.076 2.912 -4.634 1.00 0.00 O ATOM 269 CB LEU A 17 2.860 3.111 -3.700 1.00 0.00 C ATOM 270 CG LEU A 17 2.558 4.328 -2.817 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.722 4.606 -1.887 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.250 5.549 -3.665 1.00 0.00 C ATOM 0 H LEU A 17 2.014 2.996 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 17 4.078 4.431 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.917 2.688 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.346 2.350 -3.090 1.00 0.00 H new ATOM 0 HG LEU A 17 1.677 4.104 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.493 5.472 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.894 3.739 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.617 4.807 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.039 6.399 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.108 5.779 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.381 5.347 -4.292 1.00 0.00 H new ATOM 284 N LYS A 18 4.739 1.221 -5.257 1.00 0.00 N ATOM 285 CA LYS A 18 5.825 0.246 -5.329 1.00 0.00 C ATOM 286 C LYS A 18 6.683 0.499 -6.567 1.00 0.00 C ATOM 287 O LYS A 18 7.867 0.167 -6.604 1.00 0.00 O ATOM 288 CB LYS A 18 5.251 -1.167 -5.368 1.00 0.00 C ATOM 289 CG LYS A 18 4.360 -1.382 -6.573 1.00 0.00 C ATOM 290 CD LYS A 18 4.682 -2.698 -7.277 1.00 0.00 C ATOM 291 CE LYS A 18 4.315 -2.665 -8.752 1.00 0.00 C ATOM 292 NZ LYS A 18 4.200 -4.043 -9.327 1.00 0.00 N ATOM 0 H LYS A 18 3.821 0.846 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 18 6.452 0.351 -4.444 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.067 -1.890 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.681 -1.352 -4.458 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.316 -1.381 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.484 -0.554 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.746 -2.913 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.144 -3.510 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.370 -2.138 -8.880 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.070 -2.103 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.771 -3.990 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.146 -4.469 -9.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.603 -4.628 -8.709 1.00 0.00 H new ATOM 306 N ALA A 19 6.057 1.103 -7.569 1.00 0.00 N ATOM 307 CA ALA A 19 6.716 1.437 -8.825 1.00 0.00 C ATOM 308 C ALA A 19 7.798 2.476 -8.595 1.00 0.00 C ATOM 309 O ALA A 19 8.786 2.519 -9.327 1.00 0.00 O ATOM 310 CB ALA A 19 5.712 1.938 -9.854 1.00 0.00 C ATOM 0 H ALA A 19 5.075 1.376 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 19 7.177 0.530 -9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.231 2.180 -10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.970 1.163 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.215 2.830 -9.473 1.00 0.00 H new ATOM 316 N TYR A 20 7.626 3.298 -7.557 1.00 0.00 N ATOM 317 CA TYR A 20 8.621 4.293 -7.246 1.00 0.00 C ATOM 318 C TYR A 20 9.669 3.682 -6.316 1.00 0.00 C ATOM 319 O TYR A 20 10.858 3.870 -6.562 1.00 0.00 O ATOM 320 CB TYR A 20 7.990 5.617 -6.740 1.00 0.00 C ATOM 321 CG TYR A 20 7.519 5.692 -5.296 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.324 5.299 -4.235 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.250 6.193 -5.001 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.881 5.397 -2.931 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.805 6.293 -3.700 1.00 0.00 C ATOM 326 CZ TYR A 20 6.623 5.893 -2.667 1.00 0.00 C ATOM 327 OH TYR A 20 6.188 5.997 -1.365 1.00 0.00 O ATOM 0 H TYR A 20 6.818 3.286 -6.935 1.00 0.00 H new ATOM 0 HA TYR A 20 9.142 4.593 -8.155 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.721 6.411 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.136 5.843 -7.379 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.312 4.911 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.604 6.508 -5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.520 5.085 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.820 6.683 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 20 5.562 6.747 -1.288 1.00 0.00 H new ATOM 337 N ASP A 21 9.230 2.887 -5.306 1.00 0.00 N ATOM 338 CA ASP A 21 10.169 2.178 -4.394 1.00 0.00 C ATOM 339 C ASP A 21 9.581 1.909 -3.010 1.00 0.00 C ATOM 340 O ASP A 21 10.328 1.719 -2.048 1.00 0.00 O ATOM 341 CB ASP A 21 11.492 2.946 -4.207 1.00 0.00 C ATOM 342 CG ASP A 21 12.695 2.142 -4.658 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.625 1.509 -5.734 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.708 2.139 -3.928 1.00 0.00 O ATOM 0 H ASP A 21 8.244 2.721 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 21 10.357 1.225 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.450 3.879 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.609 3.212 -3.157 1.00 0.00 H new ATOM 349 N VAL A 22 8.261 1.908 -2.886 1.00 0.00 N ATOM 350 CA VAL A 22 7.642 1.695 -1.596 1.00 0.00 C ATOM 351 C VAL A 22 6.226 1.176 -1.736 1.00 0.00 C ATOM 352 O VAL A 22 5.284 1.957 -1.873 1.00 0.00 O ATOM 353 CB VAL A 22 7.614 3.022 -0.821 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.784 2.908 0.448 1.00 0.00 C ATOM 355 CG2 VAL A 22 9.021 3.491 -0.500 1.00 0.00 C ATOM 0 H VAL A 22 7.609 2.051 -3.657 1.00 0.00 H new ATOM 0 HA VAL A 22 8.229 0.949 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 22 7.141 3.766 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.786 3.864 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.760 2.638 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.210 2.140 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.975 4.432 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.525 2.740 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.576 3.638 -1.427 1.00 0.00 H new ATOM 365 N ASN A 23 6.074 -0.141 -1.683 1.00 0.00 N ATOM 366 CA ASN A 23 4.753 -0.735 -1.772 1.00 0.00 C ATOM 367 C ASN A 23 3.918 -0.207 -0.600 1.00 0.00 C ATOM 368 O ASN A 23 3.328 0.869 -0.690 1.00 0.00 O ATOM 369 CB ASN A 23 4.842 -2.273 -1.769 1.00 0.00 C ATOM 370 CG ASN A 23 5.867 -2.803 -0.783 1.00 0.00 C ATOM 371 OD1 ASN A 23 5.671 -2.721 0.428 1.00 0.00 O ATOM 372 ND2 ASN A 23 6.965 -3.338 -1.290 1.00 0.00 N ATOM 0 H ASN A 23 6.839 -0.808 -1.580 1.00 0.00 H new ATOM 0 HA ASN A 23 4.273 -0.458 -2.711 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.864 -2.688 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.096 -2.619 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.688 -3.702 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.089 -3.387 -2.301 1.00 0.00 H new ATOM 379 N ILE A 24 3.880 -0.934 0.504 1.00 0.00 N ATOM 380 CA ILE A 24 3.117 -0.464 1.651 1.00 0.00 C ATOM 381 C ILE A 24 3.671 -0.873 3.005 1.00 0.00 C ATOM 382 O ILE A 24 3.040 -0.571 4.019 1.00 0.00 O ATOM 383 CB ILE A 24 1.643 -0.869 1.600 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.388 -1.879 0.501 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.771 0.358 1.407 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.250 -3.099 0.646 1.00 0.00 C ATOM 0 H ILE A 24 4.354 -1.828 0.632 1.00 0.00 H new ATOM 0 HA ILE A 24 3.212 0.618 1.563 1.00 0.00 H new ATOM 0 HB ILE A 24 1.387 -1.340 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.339 -2.173 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.576 -1.416 -0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.276 0.058 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.924 1.047 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.039 0.851 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.033 -3.796 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.300 -2.810 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.044 -3.579 1.603 1.00 0.00 H new ATOM 398 N SER A 25 4.817 -1.558 3.046 1.00 0.00 N ATOM 399 CA SER A 25 5.370 -1.982 4.337 1.00 0.00 C ATOM 400 C SER A 25 5.140 -0.887 5.380 1.00 0.00 C ATOM 401 O SER A 25 4.416 -1.093 6.357 1.00 0.00 O ATOM 402 CB SER A 25 6.865 -2.253 4.224 1.00 0.00 C ATOM 403 OG SER A 25 7.311 -3.099 5.272 1.00 0.00 O ATOM 0 H SER A 25 5.366 -1.825 2.229 1.00 0.00 H new ATOM 0 HA SER A 25 4.866 -2.900 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.082 -2.716 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.412 -1.311 4.255 1.00 0.00 H new ATOM 0 HG SER A 25 8.273 -3.259 5.176 1.00 0.00 H new ATOM 409 N GLY A 26 5.741 0.284 5.159 1.00 0.00 N ATOM 410 CA GLY A 26 5.565 1.397 6.075 1.00 0.00 C ATOM 411 C GLY A 26 4.350 2.250 5.730 1.00 0.00 C ATOM 412 O GLY A 26 3.736 2.837 6.621 1.00 0.00 O ATOM 0 H GLY A 26 6.346 0.479 4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.460 1.015 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.459 2.021 6.060 1.00 0.00 H new ATOM 416 N LEU A 27 3.994 2.319 4.439 1.00 0.00 N ATOM 417 CA LEU A 27 2.841 3.108 4.001 1.00 0.00 C ATOM 418 C LEU A 27 1.579 2.665 4.726 1.00 0.00 C ATOM 419 O LEU A 27 0.995 3.435 5.478 1.00 0.00 O ATOM 420 CB LEU A 27 2.637 2.967 2.495 1.00 0.00 C ATOM 421 CG LEU A 27 1.709 4.004 1.875 1.00 0.00 C ATOM 422 CD1 LEU A 27 2.426 5.332 1.721 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.200 3.509 0.536 1.00 0.00 C ATOM 0 H LEU A 27 4.487 1.839 3.686 1.00 0.00 H new ATOM 0 HA LEU A 27 3.040 4.153 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.608 3.029 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.238 1.974 2.288 1.00 0.00 H new ATOM 0 HG LEU A 27 0.856 4.155 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.749 6.062 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.750 5.686 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.295 5.204 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.537 4.256 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.043 3.337 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.653 2.577 0.677 1.00 0.00 H new ATOM 435 N VAL A 28 1.192 1.404 4.527 1.00 0.00 N ATOM 436 CA VAL A 28 0.018 0.849 5.203 1.00 0.00 C ATOM 437 C VAL A 28 0.172 1.041 6.710 1.00 0.00 C ATOM 438 O VAL A 28 -0.642 1.669 7.363 1.00 0.00 O ATOM 439 CB VAL A 28 -0.146 -0.653 4.876 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.967 -1.370 5.937 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.784 -0.832 3.511 1.00 0.00 C ATOM 0 H VAL A 28 1.671 0.751 3.907 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.873 1.371 4.852 1.00 0.00 H new ATOM 0 HB VAL A 28 0.849 -1.098 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.061 -2.424 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.471 -1.281 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.958 -0.920 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.892 -1.895 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.766 -0.359 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.153 -0.371 2.751 1.00 0.00 H new ATOM 451 N SER A 29 1.256 0.512 7.226 1.00 0.00 N ATOM 452 CA SER A 29 1.604 0.586 8.633 1.00 0.00 C ATOM 453 C SER A 29 1.463 2.000 9.206 1.00 0.00 C ATOM 454 O SER A 29 0.842 2.178 10.256 1.00 0.00 O ATOM 455 CB SER A 29 3.058 0.149 8.756 1.00 0.00 C ATOM 456 OG SER A 29 3.199 -1.231 8.461 1.00 0.00 O ATOM 0 H SER A 29 1.941 0.004 6.667 1.00 0.00 H new ATOM 0 HA SER A 29 0.924 -0.053 9.196 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.677 0.735 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.417 0.348 9.766 1.00 0.00 H new ATOM 0 HG SER A 29 3.979 -1.364 7.883 1.00 0.00 H new ATOM 462 N THR A 30 2.035 3.003 8.537 1.00 0.00 N ATOM 463 CA THR A 30 1.952 4.378 9.023 1.00 0.00 C ATOM 464 C THR A 30 0.616 5.002 8.651 1.00 0.00 C ATOM 465 O THR A 30 -0.043 5.628 9.485 1.00 0.00 O ATOM 466 CB THR A 30 3.114 5.225 8.474 1.00 0.00 C ATOM 467 OG1 THR A 30 3.621 6.085 9.478 1.00 0.00 O ATOM 468 CG2 THR A 30 2.746 6.095 7.287 1.00 0.00 C ATOM 0 H THR A 30 2.555 2.890 7.667 1.00 0.00 H new ATOM 0 HA THR A 30 2.030 4.356 10.110 1.00 0.00 H new ATOM 0 HB THR A 30 3.854 4.495 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.360 6.615 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.621 6.658 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.397 5.465 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.955 6.788 7.575 1.00 0.00 H new ATOM 476 N THR A 31 0.224 4.843 7.388 1.00 0.00 N ATOM 477 CA THR A 31 -1.027 5.408 6.916 1.00 0.00 C ATOM 478 C THR A 31 -2.203 4.856 7.715 1.00 0.00 C ATOM 479 O THR A 31 -3.093 5.609 8.124 1.00 0.00 O ATOM 480 CB THR A 31 -1.223 5.173 5.414 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.781 6.324 4.804 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.126 4.005 5.083 1.00 0.00 C ATOM 0 H THR A 31 0.754 4.331 6.682 1.00 0.00 H new ATOM 0 HA THR A 31 -0.983 6.486 7.072 1.00 0.00 H new ATOM 0 HB THR A 31 -0.227 4.950 5.032 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.554 6.064 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.212 3.907 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.704 3.090 5.498 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.114 4.176 5.512 1.00 0.00 H new ATOM 490 N MET A 32 -2.193 3.545 7.954 1.00 0.00 N ATOM 491 CA MET A 32 -3.240 2.899 8.716 1.00 0.00 C ATOM 492 C MET A 32 -3.430 3.563 10.063 1.00 0.00 C ATOM 493 O MET A 32 -4.515 4.009 10.374 1.00 0.00 O ATOM 494 CB MET A 32 -2.917 1.427 8.910 1.00 0.00 C ATOM 495 CG MET A 32 -2.988 0.642 7.626 1.00 0.00 C ATOM 496 SD MET A 32 -4.665 0.309 7.125 1.00 0.00 S ATOM 497 CE MET A 32 -4.423 -1.313 6.474 1.00 0.00 C ATOM 0 H MET A 32 -1.463 2.913 7.625 1.00 0.00 H new ATOM 0 HA MET A 32 -4.169 2.995 8.153 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.918 1.331 9.335 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.612 0.999 9.632 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.479 1.195 6.837 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.455 -0.301 7.750 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.494 -1.283 5.387 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.437 -1.678 6.763 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.188 -1.982 6.869 1.00 0.00 H new ATOM 507 N GLN A 33 -2.372 3.630 10.857 1.00 0.00 N ATOM 508 CA GLN A 33 -2.456 4.247 12.177 1.00 0.00 C ATOM 509 C GLN A 33 -2.998 5.675 12.105 1.00 0.00 C ATOM 510 O GLN A 33 -3.754 6.088 12.976 1.00 0.00 O ATOM 511 CB GLN A 33 -1.095 4.200 12.872 1.00 0.00 C ATOM 512 CG GLN A 33 -0.663 5.504 13.533 1.00 0.00 C ATOM 513 CD GLN A 33 0.320 5.281 14.664 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.007 5.481 15.830 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.529 4.861 14.328 1.00 0.00 N ATOM 0 H GLN A 33 -1.450 3.268 10.615 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.166 3.672 12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.118 3.417 13.629 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.340 3.914 12.140 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.210 6.155 12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.542 6.022 13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.761 4.707 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.229 4.691 15.050 1.00 0.00 H new ATOM 524 N ASN A 34 -2.630 6.422 11.064 1.00 0.00 N ATOM 525 CA ASN A 34 -3.115 7.794 10.907 1.00 0.00 C ATOM 526 C ASN A 34 -4.610 7.797 10.575 1.00 0.00 C ATOM 527 O ASN A 34 -5.402 8.442 11.268 1.00 0.00 O ATOM 528 CB ASN A 34 -2.287 8.532 9.836 1.00 0.00 C ATOM 529 CG ASN A 34 -3.107 9.020 8.661 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.040 8.295 7.561 1.00 0.00 O flip ATOM 531 ND2 ASN A 34 -3.790 10.035 8.743 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.004 6.105 10.324 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.989 8.329 11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.788 9.384 10.298 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -1.506 7.865 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.812 10.566 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.336 10.349 7.940 1.00 0.00 H new ATOM 538 N GLU A 35 -4.994 7.047 9.544 1.00 0.00 N ATOM 539 CA GLU A 35 -6.398 6.948 9.157 1.00 0.00 C ATOM 540 C GLU A 35 -7.184 6.142 10.198 1.00 0.00 C ATOM 541 O GLU A 35 -8.390 6.331 10.357 1.00 0.00 O ATOM 542 CB GLU A 35 -6.530 6.310 7.770 1.00 0.00 C ATOM 543 CG GLU A 35 -7.634 6.928 6.917 1.00 0.00 C ATOM 544 CD GLU A 35 -7.184 8.164 6.158 1.00 0.00 C ATOM 545 OE1 GLU A 35 -7.280 9.277 6.720 1.00 0.00 O ATOM 546 OE2 GLU A 35 -6.743 8.018 4.999 1.00 0.00 O ATOM 0 H GLU A 35 -4.356 6.502 8.965 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.816 7.954 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.580 6.404 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.726 5.244 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.994 6.184 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.476 7.190 7.558 1.00 0.00 H new ATOM 553 N ALA A 36 -6.482 5.266 10.923 1.00 0.00 N ATOM 554 CA ALA A 36 -7.082 4.445 11.973 1.00 0.00 C ATOM 555 C ALA A 36 -7.204 5.235 13.274 1.00 0.00 C ATOM 556 O ALA A 36 -8.061 4.952 14.106 1.00 0.00 O ATOM 557 CB ALA A 36 -6.251 3.200 12.198 1.00 0.00 C ATOM 0 H ALA A 36 -5.482 5.108 10.797 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.082 4.153 11.652 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.707 2.595 12.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.204 2.622 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.243 3.485 12.499 1.00 0.00 H new ATOM 563 N ARG A 37 -6.346 6.239 13.430 1.00 0.00 N ATOM 564 CA ARG A 37 -6.375 7.101 14.600 1.00 0.00 C ATOM 565 C ARG A 37 -7.467 8.114 14.428 1.00 0.00 C ATOM 566 O ARG A 37 -8.247 8.396 15.338 1.00 0.00 O ATOM 567 CB ARG A 37 -5.087 7.887 14.733 1.00 0.00 C ATOM 568 CG ARG A 37 -4.244 7.480 15.916 1.00 0.00 C ATOM 569 CD ARG A 37 -4.939 7.819 17.222 1.00 0.00 C ATOM 570 NE ARG A 37 -4.594 6.872 18.286 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.157 6.853 19.489 1.00 0.00 C ATOM 572 NH1 ARG A 37 -6.103 7.720 19.802 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.774 5.960 20.380 1.00 0.00 N ATOM 0 H ARG A 37 -5.619 6.474 12.754 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.524 6.468 15.475 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.501 7.764 13.822 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.326 8.947 14.817 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.044 6.409 15.874 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.280 7.986 15.871 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.662 8.827 17.530 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.018 7.817 17.070 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.871 6.179 18.089 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.407 8.412 19.117 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.529 7.697 20.728 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.046 5.285 20.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.205 5.944 21.304 1.00 0.00 H new ATOM 587 N ARG A 38 -7.461 8.690 13.239 1.00 0.00 N ATOM 588 CA ARG A 38 -8.398 9.726 12.890 1.00 0.00 C ATOM 589 C ARG A 38 -9.804 9.188 12.569 1.00 0.00 C ATOM 590 O ARG A 38 -10.783 9.762 13.042 1.00 0.00 O ATOM 591 CB ARG A 38 -7.863 10.540 11.705 1.00 0.00 C ATOM 592 CG ARG A 38 -7.736 12.029 11.992 1.00 0.00 C ATOM 593 CD ARG A 38 -8.484 12.860 10.962 1.00 0.00 C ATOM 594 NE ARG A 38 -9.871 13.111 11.363 1.00 0.00 N ATOM 595 CZ ARG A 38 -10.248 14.036 12.238 1.00 0.00 C ATOM 596 NH1 ARG A 38 -9.350 14.782 12.859 1.00 0.00 N ATOM 597 NH2 ARG A 38 -11.529 14.205 12.498 1.00 0.00 N ATOM 0 H ARG A 38 -6.806 8.449 12.495 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.500 10.365 13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.886 10.150 11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.525 10.399 10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.126 12.244 12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.683 12.312 11.994 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.970 13.811 10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.472 12.344 10.002 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.598 12.534 10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.357 14.650 12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.650 15.490 13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.225 13.627 12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.824 14.914 13.169 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.383 -11.123 -9.997 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.123 -9.777 -9.477 1.00 0.00 C ATOM 1186 C LYS B 102 -2.706 -9.674 -8.899 1.00 0.00 C ATOM 1187 O LYS B 102 -1.931 -10.632 -8.958 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.165 -9.417 -8.410 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.606 -9.668 -8.842 1.00 0.00 C ATOM 1190 CD LYS B 102 -6.885 -9.112 -10.235 1.00 0.00 C ATOM 1191 CE LYS B 102 -6.863 -7.593 -10.246 1.00 0.00 C ATOM 1192 NZ LYS B 102 -6.732 -7.051 -11.629 1.00 0.00 N ATOM 0 HA LYS B 102 -4.200 -9.069 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.961 -9.994 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.053 -8.365 -8.148 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.807 -10.739 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.286 -9.209 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.141 -9.492 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.857 -9.465 -10.580 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.778 -7.213 -9.792 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -6.033 -7.237 -9.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.192 -6.120 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -5.725 -6.954 -11.870 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.188 -7.701 -12.301 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.370 -8.515 -8.329 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.045 -8.316 -7.742 1.00 0.00 C ATOM 1208 C GLN B 103 -1.109 -8.360 -6.227 1.00 0.00 C ATOM 1209 O GLN B 103 -1.621 -7.443 -5.585 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.419 -6.987 -8.219 1.00 0.00 C ATOM 1211 CG GLN B 103 0.635 -6.420 -7.272 1.00 0.00 C ATOM 1212 CD GLN B 103 2.062 -6.636 -7.748 1.00 0.00 C ATOM 1213 OE1 GLN B 103 2.634 -5.793 -8.447 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.653 -7.754 -7.355 1.00 0.00 N ATOM 0 H GLN B 103 -2.990 -7.708 -8.262 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.408 -9.133 -8.081 1.00 0.00 H new ATOM 0 HB2 GLN B 103 0.034 -7.142 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.211 -6.250 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.461 -5.351 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.515 -6.880 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.145 -8.424 -6.778 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.617 -7.945 -7.629 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.598 -9.439 -5.656 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.627 -9.597 -4.216 1.00 0.00 C ATOM 1225 C ARG B 104 0.458 -8.783 -3.536 1.00 0.00 C ATOM 1226 O ARG B 104 1.642 -9.123 -3.567 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.492 -11.058 -3.820 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.328 -11.408 -2.607 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.314 -12.897 -2.336 1.00 0.00 C ATOM 1230 NE ARG B 104 -2.659 -13.463 -2.389 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.298 -13.776 -3.503 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -2.706 -13.655 -4.677 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.531 -14.223 -3.433 1.00 0.00 N ATOM 0 H ARG B 104 -0.163 -10.209 -6.164 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.595 -9.226 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -0.791 -11.688 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.555 -11.280 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -0.948 -10.875 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.354 -11.075 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -0.679 -13.395 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -0.877 -13.085 -1.355 1.00 0.00 H new ATOM 0 HE ARG B 104 -3.139 -13.628 -1.504 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -1.745 -13.317 -4.731 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -3.209 -13.900 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -4.986 -14.325 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -5.034 -14.468 -4.286 1.00 0.00 H new ATOM 1247 N ILE B 105 0.014 -7.715 -2.896 1.00 0.00 N ATOM 1248 CA ILE B 105 0.887 -6.826 -2.150 1.00 0.00 C ATOM 1249 C ILE B 105 0.591 -7.004 -0.677 1.00 0.00 C ATOM 1250 O ILE B 105 -0.550 -6.838 -0.247 1.00 0.00 O ATOM 1251 CB ILE B 105 0.675 -5.352 -2.563 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.405 -4.686 -1.705 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.294 -5.289 -4.031 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.500 -3.190 -1.887 1.00 0.00 C ATOM 0 H ILE B 105 -0.968 -7.439 -2.879 1.00 0.00 H new ATOM 0 HA ILE B 105 1.926 -7.075 -2.364 1.00 0.00 H new ATOM 0 HB ILE B 105 1.607 -4.809 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.370 -5.132 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.205 -4.902 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE B 105 0.144 -4.250 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE B 105 1.092 -5.724 -4.633 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.628 -5.848 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.287 -2.795 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.451 -2.730 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.732 -2.964 -2.928 1.00 0.00 H new ATOM 1266 N THR B 106 1.585 -7.392 0.095 1.00 0.00 N ATOM 1267 CA THR B 106 1.353 -7.622 1.507 1.00 0.00 C ATOM 1268 C THR B 106 2.384 -6.961 2.408 1.00 0.00 C ATOM 1269 O THR B 106 3.574 -7.269 2.333 1.00 0.00 O ATOM 1270 CB THR B 106 1.280 -9.131 1.811 1.00 0.00 C ATOM 1271 OG1 THR B 106 1.948 -9.437 3.021 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.866 -10.026 0.731 1.00 0.00 C ATOM 0 H THR B 106 2.541 -7.552 -0.221 1.00 0.00 H new ATOM 0 HA THR B 106 0.394 -7.154 1.731 1.00 0.00 H new ATOM 0 HB THR B 106 0.211 -9.337 1.874 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.913 -9.484 2.859 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.770 -11.069 1.032 1.00 0.00 H new ATOM 0 HG22 THR B 106 1.329 -9.867 -0.204 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.919 -9.784 0.590 1.00 0.00 H new ATOM 1280 N VAL B 107 1.901 -6.163 3.355 1.00 0.00 N ATOM 1281 CA VAL B 107 2.759 -5.585 4.386 1.00 0.00 C ATOM 1282 C VAL B 107 2.537 -6.421 5.634 1.00 0.00 C ATOM 1283 O VAL B 107 1.490 -6.306 6.275 1.00 0.00 O ATOM 1284 CB VAL B 107 2.494 -4.078 4.700 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.081 -3.666 4.333 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.778 -3.742 6.180 1.00 0.00 C ATOM 0 H VAL B 107 0.918 -5.901 3.431 1.00 0.00 H new ATOM 0 HA VAL B 107 3.787 -5.606 4.025 1.00 0.00 H new ATOM 0 HB VAL B 107 3.187 -3.508 4.082 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.937 -2.611 4.567 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.921 -3.826 3.267 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.368 -4.264 4.901 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.582 -2.685 6.357 1.00 0.00 H new ATOM 0 HG22 VAL B 107 2.132 -4.343 6.820 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.821 -3.961 6.409 1.00 0.00 H new ATOM 1296 N THR B 108 3.474 -7.292 5.964 1.00 0.00 N ATOM 1297 CA THR B 108 3.305 -8.138 7.124 1.00 0.00 C ATOM 1298 C THR B 108 3.378 -7.306 8.396 1.00 0.00 C ATOM 1299 O THR B 108 4.456 -7.097 8.958 1.00 0.00 O ATOM 1300 CB THR B 108 4.341 -9.248 7.126 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.657 -8.732 7.171 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.240 -10.149 5.937 1.00 0.00 C ATOM 0 H THR B 108 4.346 -7.429 5.452 1.00 0.00 H new ATOM 0 HA THR B 108 2.320 -8.604 7.084 1.00 0.00 H new ATOM 0 HB THR B 108 4.129 -9.828 8.024 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.694 -7.986 7.805 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.008 -10.920 5.999 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.256 -10.617 5.918 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.383 -9.567 5.026 1.00 0.00 H new ATOM 1310 N VAL B 109 2.214 -6.823 8.827 1.00 0.00 N ATOM 1311 CA VAL B 109 2.111 -5.991 10.020 1.00 0.00 C ATOM 1312 C VAL B 109 2.150 -6.842 11.299 1.00 0.00 C ATOM 1313 O VAL B 109 3.028 -7.695 11.422 1.00 0.00 O ATOM 1314 CB VAL B 109 0.850 -5.094 9.980 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.034 -3.887 10.889 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.556 -4.635 8.555 1.00 0.00 C ATOM 0 H VAL B 109 1.323 -6.997 8.362 1.00 0.00 H new ATOM 0 HA VAL B 109 2.979 -5.332 10.034 1.00 0.00 H new ATOM 0 HB VAL B 109 0.003 -5.681 10.335 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.140 -3.264 10.852 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.199 -4.224 11.912 1.00 0.00 H new ATOM 0 HG13 VAL B 109 1.894 -3.307 10.554 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.334 -4.006 8.552 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.404 -4.066 8.174 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.388 -5.505 7.920 1.00 0.00 H new ATOM 1326 N ASP B 110 1.254 -6.576 12.273 1.00 0.00 N ATOM 1327 CA ASP B 110 1.246 -7.282 13.573 1.00 0.00 C ATOM 1328 C ASP B 110 2.126 -6.515 14.569 1.00 0.00 C ATOM 1329 O ASP B 110 2.180 -6.827 15.758 1.00 0.00 O ATOM 1330 CB ASP B 110 1.725 -8.730 13.437 1.00 0.00 C ATOM 1331 CG ASP B 110 1.728 -9.485 14.752 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.637 -9.732 15.307 1.00 0.00 O ATOM 1333 OD2 ASP B 110 2.835 -9.838 15.219 1.00 0.00 O ATOM 0 H ASP B 110 0.521 -5.872 12.183 1.00 0.00 H new ATOM 0 HA ASP B 110 0.220 -7.318 13.939 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.084 -9.253 12.727 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.732 -8.735 13.020 1.00 0.00 H new ATOM 1338 N SER B 111 2.790 -5.483 14.050 1.00 0.00 N ATOM 1339 CA SER B 111 3.653 -4.619 14.840 1.00 0.00 C ATOM 1340 C SER B 111 3.382 -3.152 14.502 1.00 0.00 C ATOM 1341 O SER B 111 3.052 -2.365 15.387 1.00 0.00 O ATOM 1342 CB SER B 111 5.128 -4.958 14.597 1.00 0.00 C ATOM 1343 OG SER B 111 5.904 -4.721 15.762 1.00 0.00 O ATOM 0 H SER B 111 2.741 -5.225 13.064 1.00 0.00 H new ATOM 0 HA SER B 111 3.434 -4.783 15.895 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.220 -6.003 14.301 1.00 0.00 H new ATOM 0 HB3 SER B 111 5.512 -4.358 13.772 1.00 0.00 H new ATOM 0 HG SER B 111 6.841 -4.946 15.583 1.00 0.00 H new ATOM 1349 N ASP B 112 3.567 -2.785 13.222 1.00 0.00 N ATOM 1350 CA ASP B 112 3.388 -1.407 12.766 1.00 0.00 C ATOM 1351 C ASP B 112 2.078 -0.745 13.241 1.00 0.00 C ATOM 1352 O ASP B 112 2.036 -0.181 14.339 1.00 0.00 O ATOM 1353 CB ASP B 112 3.501 -1.373 11.256 1.00 0.00 C ATOM 1354 CG ASP B 112 4.941 -1.265 10.802 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.600 -2.318 10.673 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.410 -0.127 10.586 1.00 0.00 O ATOM 0 H ASP B 112 3.842 -3.434 12.485 1.00 0.00 H new ATOM 0 HA ASP B 112 4.179 -0.812 13.223 1.00 0.00 H new ATOM 0 HB2 ASP B 112 3.055 -2.275 10.838 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.933 -0.527 10.868 1.00 0.00 H new ATOM 1361 N SER B 113 1.007 -0.771 12.425 1.00 0.00 N ATOM 1362 CA SER B 113 -0.267 -0.139 12.813 1.00 0.00 C ATOM 1363 C SER B 113 -1.352 -0.349 11.734 1.00 0.00 C ATOM 1364 O SER B 113 -2.204 0.510 11.506 1.00 0.00 O ATOM 1365 CB SER B 113 -0.063 1.356 13.056 1.00 0.00 C ATOM 1366 OG SER B 113 0.204 1.612 14.423 1.00 0.00 O ATOM 0 H SER B 113 0.998 -1.216 11.507 1.00 0.00 H new ATOM 0 HA SER B 113 -0.606 -0.613 13.734 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.764 1.719 12.445 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.953 1.904 12.746 1.00 0.00 H new ATOM 0 HG SER B 113 0.811 0.926 14.772 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.307 -1.518 11.095 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.261 -1.911 10.047 1.00 0.00 C ATOM 1374 C TYR B 114 -3.567 -2.420 10.650 1.00 0.00 C ATOM 1375 O TYR B 114 -4.659 -2.112 10.166 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.633 -3.022 9.219 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.549 -4.190 8.957 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.376 -4.181 7.862 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.581 -5.286 9.805 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.225 -5.237 7.597 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.421 -6.351 9.556 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.242 -6.324 8.447 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.074 -7.389 8.189 1.00 0.00 O ATOM 0 H TYR B 114 -0.602 -2.229 11.289 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.486 -1.040 9.431 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.307 -2.609 8.264 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.741 -3.382 9.731 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.362 -3.332 7.195 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.939 -5.306 10.673 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.871 -5.213 6.732 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.436 -7.200 10.224 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.020 -8.033 8.926 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.429 -3.251 11.682 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.567 -3.879 12.335 1.00 0.00 C ATOM 1395 C GLN B 115 -5.662 -2.877 12.704 1.00 0.00 C ATOM 1396 O GLN B 115 -6.832 -3.196 12.597 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.100 -4.658 13.572 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.991 -5.666 13.273 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.526 -6.431 14.499 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -2.646 -5.959 15.625 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.988 -7.622 14.280 1.00 0.00 N ATOM 0 H GLN B 115 -2.527 -3.505 12.085 1.00 0.00 H new ATOM 0 HA GLN B 115 -5.010 -4.572 11.620 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.746 -3.953 14.324 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.952 -5.184 14.004 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -3.346 -6.375 12.525 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.141 -5.141 12.837 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.907 -7.978 13.327 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -1.655 -8.183 15.064 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.302 -1.680 13.147 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.310 -0.685 13.521 1.00 0.00 C ATOM 1412 C LEU B 116 -7.278 -0.369 12.359 1.00 0.00 C ATOM 1413 O LEU B 116 -8.495 -0.481 12.515 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.624 0.595 14.002 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.144 1.154 15.330 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.214 2.237 15.852 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.554 1.698 15.168 1.00 0.00 C ATOM 0 H LEU B 116 -4.336 -1.373 13.257 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.906 -1.108 14.330 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.556 0.401 14.101 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.739 1.360 13.234 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.171 0.341 16.056 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.599 2.623 16.796 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.220 1.818 16.009 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.155 3.048 15.126 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.905 2.090 16.123 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.553 2.497 14.426 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.217 0.898 14.839 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.727 0.055 11.215 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.589 0.414 10.069 1.00 0.00 C ATOM 1431 C LEU B 117 -8.537 -0.728 9.693 1.00 0.00 C ATOM 1432 O LEU B 117 -9.714 -0.507 9.398 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.816 0.877 8.847 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.300 2.232 8.302 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.177 3.025 7.669 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.422 2.035 7.302 1.00 0.00 C ATOM 0 H LEU B 117 -5.725 0.158 11.054 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.178 1.265 10.411 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.759 0.951 9.101 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.904 0.125 8.063 1.00 0.00 H new ATOM 0 HG LEU B 117 -7.672 2.804 9.152 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.565 3.974 7.298 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.402 3.215 8.412 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.753 2.458 6.840 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.751 3.005 6.928 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -8.066 1.427 6.470 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -9.258 1.531 7.788 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.027 -1.943 9.738 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.823 -3.135 9.432 1.00 0.00 C ATOM 1450 C LYS B 118 -9.696 -3.528 10.621 1.00 0.00 C ATOM 1451 O LYS B 118 -10.797 -4.057 10.463 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.903 -4.296 9.068 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.985 -4.659 10.209 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.856 -6.166 10.385 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.448 -6.534 11.804 1.00 0.00 C ATOM 1456 NZ LYS B 118 -7.535 -7.244 12.535 1.00 0.00 N ATOM 0 H LYS B 118 -7.057 -2.141 9.985 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.471 -2.903 8.587 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.503 -5.164 8.793 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.309 -4.030 8.194 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.999 -4.230 10.031 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.363 -4.218 11.132 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.806 -6.643 10.144 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.118 -6.553 9.682 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.560 -7.166 11.773 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.177 -5.630 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.213 -7.475 13.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -8.374 -6.632 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -7.777 -8.121 12.031 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.172 -3.259 11.807 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.851 -3.561 13.063 1.00 0.00 C ATOM 1472 C ALA B 119 -11.139 -2.774 13.175 1.00 0.00 C ATOM 1473 O ALA B 119 -12.093 -3.227 13.806 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.947 -3.265 14.253 1.00 0.00 C ATOM 0 H ALA B 119 -8.258 -2.822 11.929 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.091 -4.624 13.069 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.475 -3.498 15.178 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.046 -3.875 14.186 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.672 -2.210 14.248 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.174 -1.601 12.545 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.366 -0.791 12.576 1.00 0.00 C ATOM 1482 C TYR B 120 -13.287 -1.189 11.427 1.00 0.00 C ATOM 1483 O TYR B 120 -14.474 -1.402 11.671 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.042 0.720 12.609 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.765 1.392 11.277 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.709 1.400 10.258 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.559 2.046 11.055 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.458 2.032 9.059 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.301 2.680 9.858 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.253 2.670 8.863 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.997 3.299 7.669 1.00 0.00 O ATOM 0 H TYR B 120 -10.397 -1.204 12.017 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.900 -0.982 13.507 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.878 1.236 13.082 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.173 0.867 13.250 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.656 0.903 10.408 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.811 2.058 11.834 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -13.203 2.027 8.277 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.357 3.182 9.702 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.677 4.209 7.841 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.749 -1.345 10.188 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.601 -1.775 9.053 1.00 0.00 C ATOM 1503 C ASP B 121 -12.962 -1.584 7.672 1.00 0.00 C ATOM 1504 O ASP B 121 -13.665 -1.650 6.664 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.937 -1.006 9.056 1.00 0.00 C ATOM 1506 CG ASP B 121 -16.106 -1.847 8.585 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -16.134 -3.061 8.883 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.998 -1.286 7.919 1.00 0.00 O ATOM 0 H ASP B 121 -11.768 -1.186 9.957 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.747 -2.844 9.209 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.140 -0.645 10.064 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -14.846 -0.129 8.415 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.664 -1.314 7.600 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.028 -1.071 6.316 1.00 0.00 C ATOM 1515 C VAL B 122 -9.556 -1.410 6.340 1.00 0.00 C ATOM 1516 O VAL B 122 -8.728 -0.571 6.674 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.201 0.417 5.954 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.395 0.796 4.719 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.667 0.758 5.758 1.00 0.00 C ATOM 0 H VAL B 122 -11.040 -1.259 8.405 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.502 -1.712 5.573 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.816 1.000 6.791 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.544 1.853 4.497 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.337 0.610 4.904 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.726 0.197 3.871 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.764 1.813 5.503 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.077 0.151 4.951 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.214 0.555 6.679 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.232 -2.643 5.975 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.848 -3.070 5.931 1.00 0.00 C ATOM 1531 C ASN B 123 -7.110 -2.155 4.946 1.00 0.00 C ATOM 1532 O ASN B 123 -6.790 -1.014 5.271 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.751 -4.557 5.525 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.661 -5.464 6.343 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -9.708 -5.043 6.830 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -8.274 -6.723 6.484 1.00 0.00 N ATOM 0 H ASN B 123 -9.908 -3.359 5.707 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.386 -2.990 6.915 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.004 -4.656 4.469 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.720 -4.891 5.638 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -8.852 -7.378 7.011 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -7.398 -7.037 6.066 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.848 -2.626 3.741 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.164 -1.772 2.777 1.00 0.00 C ATOM 1545 C ILE B 124 -6.616 -1.955 1.345 1.00 0.00 C ATOM 1546 O ILE B 124 -6.030 -1.355 0.443 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.641 -1.899 2.833 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.232 -3.033 3.745 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.038 -0.591 3.308 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.821 -4.343 3.303 1.00 0.00 C ATOM 0 H ILE B 124 -7.087 -3.561 3.410 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.453 -0.770 3.093 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.269 -2.121 1.833 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.145 -3.111 3.764 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.553 -2.815 4.763 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.953 -0.684 3.347 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.309 0.207 2.617 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.418 -0.355 4.302 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.504 -5.133 3.984 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.909 -4.274 3.310 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.478 -4.574 2.294 1.00 0.00 H new ATOM 1562 N SER B 125 -7.632 -2.780 1.124 1.00 0.00 N ATOM 1563 CA SER B 125 -8.101 -3.006 -0.242 1.00 0.00 C ATOM 1564 C SER B 125 -8.185 -1.656 -0.965 1.00 0.00 C ATOM 1565 O SER B 125 -7.438 -1.385 -1.917 1.00 0.00 O ATOM 1566 CB SER B 125 -9.461 -3.696 -0.247 1.00 0.00 C ATOM 1567 OG SER B 125 -9.523 -4.697 -1.249 1.00 0.00 O ATOM 0 H SER B 125 -8.136 -3.292 1.848 1.00 0.00 H new ATOM 0 HA SER B 125 -7.398 -3.660 -0.758 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.649 -4.143 0.729 1.00 0.00 H new ATOM 0 HB3 SER B 125 -10.246 -2.959 -0.417 1.00 0.00 H new ATOM 0 HG SER B 125 -10.404 -5.125 -1.230 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.074 -0.791 -0.465 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.228 0.543 -1.022 1.00 0.00 C ATOM 1575 C GLY B 126 -8.246 1.534 -0.413 1.00 0.00 C ATOM 1576 O GLY B 126 -7.835 2.490 -1.070 1.00 0.00 O ATOM 0 H GLY B 126 -9.692 -0.996 0.320 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.081 0.504 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.247 0.891 -0.852 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.862 1.302 0.850 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.923 2.167 1.550 1.00 0.00 C ATOM 1582 C LEU B 127 -5.625 2.304 0.759 1.00 0.00 C ATOM 1583 O LEU B 127 -5.266 3.399 0.331 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.627 1.580 2.935 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.352 2.573 4.060 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.974 2.317 4.641 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.475 4.004 3.571 1.00 0.00 C ATOM 0 H LEU B 127 -8.195 0.514 1.405 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.368 3.156 1.657 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.474 0.960 3.229 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.764 0.920 2.847 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.099 2.430 4.841 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.780 3.028 5.444 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.928 1.302 5.036 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.222 2.437 3.861 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.274 4.689 4.395 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.756 4.178 2.770 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.484 4.175 3.196 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.940 1.177 0.549 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.698 1.174 -0.214 1.00 0.00 C ATOM 1601 C VAL B 128 -3.923 1.809 -1.587 1.00 0.00 C ATOM 1602 O VAL B 128 -3.338 2.823 -1.919 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.153 -0.265 -0.366 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.323 -0.434 -1.628 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.341 -0.645 0.856 1.00 0.00 C ATOM 0 H VAL B 128 -5.226 0.261 0.896 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.957 1.762 0.327 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.010 -0.933 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.962 -1.461 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.938 -0.211 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.473 0.248 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -1.962 -1.660 0.739 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.504 0.045 0.966 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -2.972 -0.593 1.743 1.00 0.00 H new ATOM 1615 N SER B 129 -4.786 1.198 -2.366 1.00 0.00 N ATOM 1616 CA SER B 129 -5.111 1.663 -3.704 1.00 0.00 C ATOM 1617 C SER B 129 -5.416 3.167 -3.763 1.00 0.00 C ATOM 1618 O SER B 129 -4.934 3.853 -4.669 1.00 0.00 O ATOM 1619 CB SER B 129 -6.321 0.878 -4.175 1.00 0.00 C ATOM 1620 OG SER B 129 -7.307 0.817 -3.163 1.00 0.00 O ATOM 0 H SER B 129 -5.290 0.355 -2.090 1.00 0.00 H new ATOM 0 HA SER B 129 -4.244 1.504 -4.346 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.738 1.345 -5.067 1.00 0.00 H new ATOM 0 HB3 SER B 129 -6.019 -0.131 -4.455 1.00 0.00 H new ATOM 0 HG SER B 129 -7.430 -0.114 -2.882 1.00 0.00 H new ATOM 1626 N THR B 130 -6.197 3.694 -2.820 1.00 0.00 N ATOM 1627 CA THR B 130 -6.508 5.122 -2.828 1.00 0.00 C ATOM 1628 C THR B 130 -5.334 5.913 -2.268 1.00 0.00 C ATOM 1629 O THR B 130 -4.907 6.910 -2.854 1.00 0.00 O ATOM 1630 CB THR B 130 -7.785 5.416 -2.030 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.916 5.424 -2.889 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.762 6.746 -1.300 1.00 0.00 C ATOM 0 H THR B 130 -6.618 3.166 -2.056 1.00 0.00 H new ATOM 0 HA THR B 130 -6.683 5.429 -3.859 1.00 0.00 H new ATOM 0 HB THR B 130 -7.844 4.620 -1.288 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.723 5.611 -2.366 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.699 6.881 -0.760 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.931 6.760 -0.595 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.639 7.555 -2.021 1.00 0.00 H new ATOM 1640 N THR B 131 -4.819 5.463 -1.128 1.00 0.00 N ATOM 1641 CA THR B 131 -3.698 6.129 -0.483 1.00 0.00 C ATOM 1642 C THR B 131 -2.470 6.156 -1.392 1.00 0.00 C ATOM 1643 O THR B 131 -1.851 7.206 -1.576 1.00 0.00 O ATOM 1644 CB THR B 131 -3.371 5.459 0.854 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.307 5.854 1.840 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.992 5.790 1.378 1.00 0.00 C ATOM 0 H THR B 131 -5.162 4.639 -0.633 1.00 0.00 H new ATOM 0 HA THR B 131 -3.988 7.162 -0.289 1.00 0.00 H new ATOM 0 HB THR B 131 -3.414 4.387 0.660 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.002 5.550 2.721 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.832 5.280 2.328 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.241 5.462 0.659 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.908 6.867 1.526 1.00 0.00 H new ATOM 1654 N MET B 132 -2.134 5.008 -1.982 1.00 0.00 N ATOM 1655 CA MET B 132 -1.000 4.917 -2.891 1.00 0.00 C ATOM 1656 C MET B 132 -1.129 5.943 -4.008 1.00 0.00 C ATOM 1657 O MET B 132 -0.223 6.724 -4.237 1.00 0.00 O ATOM 1658 CB MET B 132 -0.907 3.514 -3.498 1.00 0.00 C ATOM 1659 CG MET B 132 -0.787 2.405 -2.472 1.00 0.00 C ATOM 1660 SD MET B 132 0.892 2.163 -1.901 1.00 0.00 S ATOM 1661 CE MET B 132 0.958 0.392 -1.811 1.00 0.00 C ATOM 0 H MET B 132 -2.634 4.130 -1.844 1.00 0.00 H new ATOM 0 HA MET B 132 -0.094 5.120 -2.320 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.791 3.335 -4.110 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.045 3.474 -4.164 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.426 2.635 -1.619 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.156 1.475 -2.905 1.00 0.00 H new ATOM 0 HE1 MET B 132 1.984 0.058 -1.964 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.612 0.064 -0.831 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.318 -0.036 -2.583 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.264 5.933 -4.701 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.503 6.866 -5.805 1.00 0.00 C ATOM 1673 C GLN B 133 -2.188 8.312 -5.405 1.00 0.00 C ATOM 1674 O GLN B 133 -1.615 9.061 -6.191 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.952 6.724 -6.296 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.709 8.040 -6.495 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.058 8.296 -7.947 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.576 9.249 -8.552 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.897 7.443 -8.516 1.00 0.00 N ATOM 0 H GLN B 133 -3.035 5.290 -4.520 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.827 6.614 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.946 6.181 -7.241 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.502 6.112 -5.581 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.624 8.022 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.103 8.864 -6.120 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.275 6.664 -7.978 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.165 7.566 -9.493 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.551 8.695 -4.183 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.287 10.054 -3.699 1.00 0.00 C ATOM 1690 C ASN B 134 -0.796 10.271 -3.474 1.00 0.00 C ATOM 1691 O ASN B 134 -0.228 11.248 -3.968 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.068 10.318 -2.404 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.458 10.872 -2.648 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.664 11.719 -3.514 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.422 10.398 -1.872 1.00 0.00 N ATOM 0 H ASN B 134 -3.025 8.091 -3.512 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.621 10.759 -4.460 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.148 9.389 -1.840 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.508 11.019 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.378 10.736 -1.982 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.208 9.695 -1.165 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.154 9.341 -2.771 1.00 0.00 N ATOM 1703 CA GLU B 135 1.283 9.434 -2.533 1.00 0.00 C ATOM 1704 C GLU B 135 2.055 9.078 -3.808 1.00 0.00 C ATOM 1705 O GLU B 135 3.246 9.356 -3.923 1.00 0.00 O ATOM 1706 CB GLU B 135 1.696 8.534 -1.365 1.00 0.00 C ATOM 1707 CG GLU B 135 1.209 9.037 -0.010 1.00 0.00 C ATOM 1708 CD GLU B 135 1.779 10.392 0.366 1.00 0.00 C ATOM 1709 OE1 GLU B 135 1.299 11.412 -0.173 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.703 10.434 1.203 1.00 0.00 O ATOM 0 H GLU B 135 -0.602 8.522 -2.360 1.00 0.00 H new ATOM 0 HA GLU B 135 1.528 10.461 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.305 7.531 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.783 8.453 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU B 135 0.121 9.099 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU B 135 1.478 8.311 0.758 1.00 0.00 H new ATOM 1717 N ALA B 136 1.352 8.493 -4.779 1.00 0.00 N ATOM 1718 CA ALA B 136 1.926 8.137 -6.065 1.00 0.00 C ATOM 1719 C ALA B 136 1.812 9.328 -7.004 1.00 0.00 C ATOM 1720 O ALA B 136 2.783 9.727 -7.648 1.00 0.00 O ATOM 1721 CB ALA B 136 1.201 6.934 -6.645 1.00 0.00 C ATOM 0 H ALA B 136 0.364 8.254 -4.689 1.00 0.00 H new ATOM 0 HA ALA B 136 2.976 7.875 -5.939 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.639 6.675 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.297 6.088 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.146 7.174 -6.778 1.00 0.00 H new ATOM 1727 N ARG B 137 0.604 9.903 -7.057 1.00 0.00 N ATOM 1728 CA ARG B 137 0.339 11.067 -7.884 1.00 0.00 C ATOM 1729 C ARG B 137 1.352 12.139 -7.612 1.00 0.00 C ATOM 1730 O ARG B 137 1.998 12.660 -8.526 1.00 0.00 O ATOM 1731 CB ARG B 137 -1.012 11.669 -7.559 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.931 11.788 -8.753 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.448 12.866 -9.712 1.00 0.00 C ATOM 1734 NE ARG B 137 -0.193 12.484 -10.371 1.00 0.00 N ATOM 1735 CZ ARG B 137 -0.104 11.599 -11.351 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -1.184 11.002 -11.815 1.00 0.00 N ATOM 1737 NH2 ARG B 137 1.075 11.303 -11.858 1.00 0.00 N ATOM 0 H ARG B 137 -0.204 9.572 -6.530 1.00 0.00 H new ATOM 0 HA ARG B 137 0.376 10.733 -8.921 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.498 11.058 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.864 12.659 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.982 10.831 -9.273 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.941 12.023 -8.416 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.213 13.052 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -1.304 13.799 -9.168 1.00 0.00 H new ATOM 0 HE ARG B 137 0.667 12.930 -10.053 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -2.098 11.221 -11.418 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -1.106 10.321 -12.571 1.00 0.00 H new ATOM 0 HH21 ARG B 137 1.914 11.755 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG B 137 1.149 10.622 -12.613 1.00 0.00 H new ATOM 1751 N ARG B 138 1.453 12.485 -6.333 1.00 0.00 N ATOM 1752 CA ARG B 138 2.365 13.525 -5.913 1.00 0.00 C ATOM 1753 C ARG B 138 3.803 12.987 -5.756 1.00 0.00 C ATOM 1754 O ARG B 138 4.747 13.559 -6.303 1.00 0.00 O ATOM 1755 CB ARG B 138 1.876 14.175 -4.614 1.00 0.00 C ATOM 1756 CG ARG B 138 0.929 15.345 -4.848 1.00 0.00 C ATOM 1757 CD ARG B 138 0.228 15.767 -3.566 1.00 0.00 C ATOM 1758 NE ARG B 138 0.601 17.128 -3.162 1.00 0.00 N ATOM 1759 CZ ARG B 138 -0.067 18.234 -3.486 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -1.130 18.180 -4.266 1.00 0.00 N ATOM 1761 NH2 ARG B 138 0.348 19.402 -3.036 1.00 0.00 N ATOM 0 H ARG B 138 0.915 12.059 -5.578 1.00 0.00 H new ATOM 0 HA ARG B 138 2.387 14.287 -6.692 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.372 13.423 -4.007 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.737 14.521 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.487 16.189 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG B 138 0.185 15.067 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -0.851 15.713 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG B 138 0.480 15.069 -2.768 1.00 0.00 H new ATOM 0 HE ARG B 138 1.437 17.235 -2.588 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -1.451 17.283 -4.630 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -1.631 19.036 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG B 138 1.176 19.455 -2.443 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -0.159 20.252 -3.281 1.00 0.00 H new