USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ3 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 122 LYS NZ :NH3+ 180:sc= -0.792 (180deg=-0.655) USER MOD Set 1.2: A 124 MET CE :methyl 179:sc= -5.61! (180deg=-5.5!) USER MOD Set 2.1: A 123 MET CE :methyl -125:sc= -11.5! (180deg=-15.1!) USER MOD Set 2.2: A 125 ASN : amide:sc= -4.26! C(o=-16!,f=-16!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-2.5!) USER MOD Single : A 85 SER OG : rot -39:sc= 1.24 USER MOD Single : A 87 MET CE :methyl 146:sc= -0.338 (180deg=-1.42!) USER MOD Single : A 90 THR OG1 : rot 150:sc= -0.74 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 53:sc= 0.141 USER MOD Single : A 96 SER OG : rot 180:sc= -0.819 USER MOD Single : A 100 LYS NZ :NH3+ -148:sc= -0.482 (180deg=-1.7!) USER MOD Single : A 107 GLN : amide:sc= -2.52! C(o=-2.5!,f=-6.4!) USER MOD Single : A 108 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.142) USER MOD Single : A 110 ASN : amide:sc= -0.26 K(o=-0.26,f=-0.92) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 116 CYS SG : rot 158:sc= 0.862 USER MOD Single : A 121 MET CE :methyl -174:sc= 0 (180deg=-0.082) USER MOD Single : A 126 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 35:sc= 0.288 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= -0.914 USER MOD Single : A 144 GLN : amide:sc= -0.425 X(o=-0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 21.718 14.488 -3.339 1.00 0.00 N ATOM 2 CA GLU A 77 20.499 14.046 -4.005 1.00 0.00 C ATOM 3 C GLU A 77 19.615 13.248 -3.051 1.00 0.00 C ATOM 4 O GLU A 77 20.087 12.729 -2.040 1.00 0.00 O ATOM 5 CB GLU A 77 20.841 13.199 -5.232 1.00 0.00 C ATOM 6 CG GLU A 77 22.205 12.533 -5.151 1.00 0.00 C ATOM 7 CD GLU A 77 22.466 11.597 -6.315 1.00 0.00 C ATOM 8 OE1 GLU A 77 21.720 11.671 -7.315 1.00 0.00 O ATOM 9 OE2 GLU A 77 23.418 10.793 -6.228 1.00 0.00 O ATOM 0 HA GLU A 77 19.949 14.931 -4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.078 12.431 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.806 13.830 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.979 13.300 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.278 11.975 -4.217 1.00 0.00 H new ATOM 16 N ILE A 78 18.331 13.154 -3.381 1.00 0.00 N ATOM 17 CA ILE A 78 17.382 12.418 -2.554 1.00 0.00 C ATOM 18 C ILE A 78 16.368 11.671 -3.413 1.00 0.00 C ATOM 19 O ILE A 78 15.789 12.236 -4.342 1.00 0.00 O ATOM 20 CB ILE A 78 16.629 13.357 -1.594 1.00 0.00 C ATOM 21 CG1 ILE A 78 15.747 12.549 -0.640 1.00 0.00 C ATOM 22 CG2 ILE A 78 15.793 14.358 -2.377 1.00 0.00 C ATOM 23 CD1 ILE A 78 14.384 12.219 -1.212 1.00 0.00 C ATOM 0 H ILE A 78 17.924 13.578 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 78 17.960 11.701 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 78 17.360 13.908 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 78 16.259 11.622 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 78 15.618 13.110 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 78 15.267 15.014 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.444 14.953 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.068 13.825 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.812 11.645 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.853 13.142 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.504 11.631 -2.122 1.00 0.00 H new ATOM 35 N SER A 79 16.158 10.397 -3.099 1.00 0.00 N ATOM 36 CA SER A 79 15.214 9.571 -3.841 1.00 0.00 C ATOM 37 C SER A 79 14.043 9.154 -2.955 1.00 0.00 C ATOM 38 O SER A 79 14.232 8.497 -1.931 1.00 0.00 O ATOM 39 CB SER A 79 15.917 8.331 -4.396 1.00 0.00 C ATOM 40 OG SER A 79 15.409 7.985 -5.673 1.00 0.00 O ATOM 0 H SER A 79 16.630 9.914 -2.334 1.00 0.00 H new ATOM 0 HA SER A 79 14.826 10.161 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.989 8.517 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.783 7.495 -3.709 1.00 0.00 H new ATOM 0 HG SER A 79 15.876 7.190 -6.006 1.00 0.00 H new ATOM 46 N GLY A 80 12.834 9.537 -3.355 1.00 0.00 N ATOM 47 CA GLY A 80 11.655 9.191 -2.584 1.00 0.00 C ATOM 48 C GLY A 80 10.367 9.460 -3.338 1.00 0.00 C ATOM 49 O GLY A 80 10.376 10.109 -4.384 1.00 0.00 O ATOM 0 H GLY A 80 12.651 10.080 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.699 8.136 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.653 9.760 -1.654 1.00 0.00 H new ATOM 53 N HIS A 81 9.258 8.957 -2.807 1.00 0.00 N ATOM 54 CA HIS A 81 7.955 9.145 -3.436 1.00 0.00 C ATOM 55 C HIS A 81 6.833 8.731 -2.490 1.00 0.00 C ATOM 56 O HIS A 81 7.078 8.383 -1.335 1.00 0.00 O ATOM 57 CB HIS A 81 7.867 8.339 -4.734 1.00 0.00 C ATOM 58 CG HIS A 81 8.872 7.233 -4.828 1.00 0.00 C ATOM 59 ND1 HIS A 81 9.325 6.729 -6.030 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.513 6.530 -3.863 1.00 0.00 C ATOM 61 CE1 HIS A 81 10.200 5.764 -5.798 1.00 0.00 C ATOM 62 NE2 HIS A 81 10.331 5.626 -4.492 1.00 0.00 N ATOM 0 H HIS A 81 9.235 8.416 -1.943 1.00 0.00 H new ATOM 0 HA HIS A 81 7.841 10.204 -3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.866 7.916 -4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.003 9.013 -5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.401 6.658 -2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.719 5.187 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.942 4.955 -4.026 1.00 0.00 H new ATOM 71 N ILE A 82 5.602 8.774 -2.987 1.00 0.00 N ATOM 72 CA ILE A 82 4.442 8.404 -2.186 1.00 0.00 C ATOM 73 C ILE A 82 3.416 7.644 -3.019 1.00 0.00 C ATOM 74 O ILE A 82 2.989 8.112 -4.075 1.00 0.00 O ATOM 75 CB ILE A 82 3.770 9.644 -1.570 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.754 10.390 -0.667 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.527 9.240 -0.791 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.084 11.277 0.360 1.00 0.00 C ATOM 0 H ILE A 82 5.382 9.061 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 82 4.803 7.758 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 82 3.468 10.314 -2.375 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.383 9.664 -0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.412 10.999 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.063 10.127 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.821 8.749 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.806 8.553 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.844 11.773 0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.477 12.027 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.448 10.671 1.005 1.00 0.00 H new ATOM 90 N VAL A 83 3.024 6.468 -2.536 1.00 0.00 N ATOM 91 CA VAL A 83 2.048 5.642 -3.235 1.00 0.00 C ATOM 92 C VAL A 83 0.624 6.022 -2.842 1.00 0.00 C ATOM 93 O VAL A 83 0.096 5.535 -1.843 1.00 0.00 O ATOM 94 CB VAL A 83 2.266 4.146 -2.943 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.464 3.289 -3.909 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.746 3.800 -3.014 1.00 0.00 C ATOM 0 H VAL A 83 3.368 6.067 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 83 2.189 5.821 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 83 1.914 3.937 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.632 2.235 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.403 3.518 -3.804 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.781 3.499 -4.931 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.882 2.739 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.125 4.025 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.293 4.388 -2.277 1.00 0.00 H new ATOM 106 N ARG A 84 0.009 6.896 -3.632 1.00 0.00 N ATOM 107 CA ARG A 84 -1.354 7.341 -3.364 1.00 0.00 C ATOM 108 C ARG A 84 -2.370 6.363 -3.943 1.00 0.00 C ATOM 109 O ARG A 84 -2.223 5.895 -5.073 1.00 0.00 O ATOM 110 CB ARG A 84 -1.581 8.737 -3.948 1.00 0.00 C ATOM 111 CG ARG A 84 -1.415 8.801 -5.458 1.00 0.00 C ATOM 112 CD ARG A 84 -1.715 10.192 -5.991 1.00 0.00 C ATOM 113 NE ARG A 84 -0.655 10.681 -6.870 1.00 0.00 N ATOM 114 CZ ARG A 84 -0.293 10.073 -7.994 1.00 0.00 C ATOM 115 NH1 ARG A 84 -0.904 8.959 -8.375 1.00 0.00 N ATOM 116 NH2 ARG A 84 0.682 10.578 -8.739 1.00 0.00 N ATOM 0 H ARG A 84 0.432 7.310 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.491 7.380 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.585 9.072 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.882 9.433 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.397 8.519 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.080 8.078 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.659 10.176 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.840 10.881 -5.156 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.166 11.536 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.653 8.568 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.624 8.494 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.154 11.434 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.959 10.110 -9.602 1.00 0.00 H new ATOM 130 N SER A 85 -3.400 6.056 -3.161 1.00 0.00 N ATOM 131 CA SER A 85 -4.442 5.133 -3.595 1.00 0.00 C ATOM 132 C SER A 85 -5.158 5.662 -4.834 1.00 0.00 C ATOM 133 O SER A 85 -5.928 6.618 -4.758 1.00 0.00 O ATOM 134 CB SER A 85 -5.450 4.904 -2.468 1.00 0.00 C ATOM 135 OG SER A 85 -6.644 5.632 -2.695 1.00 0.00 O ATOM 0 H SER A 85 -3.535 6.433 -2.223 1.00 0.00 H new ATOM 0 HA SER A 85 -3.969 4.184 -3.849 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.678 3.841 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.012 5.206 -1.517 1.00 0.00 H new ATOM 0 HG SER A 85 -6.425 6.513 -3.064 1.00 0.00 H new ATOM 141 N PRO A 86 -4.908 5.038 -5.995 1.00 0.00 N ATOM 142 CA PRO A 86 -5.529 5.442 -7.261 1.00 0.00 C ATOM 143 C PRO A 86 -7.026 5.157 -7.287 1.00 0.00 C ATOM 144 O PRO A 86 -7.833 6.045 -7.562 1.00 0.00 O ATOM 145 CB PRO A 86 -4.803 4.587 -8.303 1.00 0.00 C ATOM 146 CG PRO A 86 -4.314 3.399 -7.549 1.00 0.00 C ATOM 147 CD PRO A 86 -4.001 3.890 -6.162 1.00 0.00 C ATOM 0 HA PRO A 86 -5.440 6.514 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.474 4.294 -9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.977 5.134 -8.757 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.070 2.614 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.429 2.974 -8.022 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -4.184 3.120 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -2.956 4.186 -6.066 1.00 0.00 H new ATOM 155 N MET A 87 -7.392 3.912 -6.998 1.00 0.00 N ATOM 156 CA MET A 87 -8.793 3.510 -6.988 1.00 0.00 C ATOM 157 C MET A 87 -9.309 3.373 -5.560 1.00 0.00 C ATOM 158 O MET A 87 -8.647 2.787 -4.704 1.00 0.00 O ATOM 159 CB MET A 87 -8.972 2.187 -7.735 1.00 0.00 C ATOM 160 CG MET A 87 -10.280 2.094 -8.502 1.00 0.00 C ATOM 161 SD MET A 87 -10.031 1.847 -10.271 1.00 0.00 S ATOM 162 CE MET A 87 -8.950 0.419 -10.265 1.00 0.00 C ATOM 0 H MET A 87 -6.737 3.165 -6.768 1.00 0.00 H new ATOM 0 HA MET A 87 -9.370 4.285 -7.492 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.143 2.057 -8.430 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.920 1.366 -7.020 1.00 0.00 H new ATOM 0 HG2 MET A 87 -10.873 1.270 -8.104 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.855 3.006 -8.344 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.168 -0.206 -11.131 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.912 0.748 -10.307 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.112 -0.156 -9.353 1.00 0.00 H new ATOM 172 N VAL A 88 -10.495 3.917 -5.308 1.00 0.00 N ATOM 173 CA VAL A 88 -11.098 3.855 -3.983 1.00 0.00 C ATOM 174 C VAL A 88 -11.224 2.413 -3.503 1.00 0.00 C ATOM 175 O VAL A 88 -11.143 1.475 -4.296 1.00 0.00 O ATOM 176 CB VAL A 88 -12.492 4.510 -3.969 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.199 4.234 -2.650 1.00 0.00 C ATOM 178 CG2 VAL A 88 -12.381 6.007 -4.219 1.00 0.00 C ATOM 0 H VAL A 88 -11.057 4.406 -6.005 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.439 4.404 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.086 4.073 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.182 4.705 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.313 3.158 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -12.609 4.641 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -13.376 6.453 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.769 6.462 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.919 6.180 -5.191 1.00 0.00 H new ATOM 188 N GLY A 89 -11.421 2.244 -2.200 1.00 0.00 N ATOM 189 CA GLY A 89 -11.554 0.914 -1.636 1.00 0.00 C ATOM 190 C GLY A 89 -11.255 0.882 -0.149 1.00 0.00 C ATOM 191 O GLY A 89 -11.972 1.488 0.647 1.00 0.00 O ATOM 0 H GLY A 89 -11.491 3.005 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.567 0.549 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.878 0.234 -2.154 1.00 0.00 H new ATOM 195 N THR A 90 -10.195 0.173 0.225 1.00 0.00 N ATOM 196 CA THR A 90 -9.804 0.064 1.626 1.00 0.00 C ATOM 197 C THR A 90 -8.360 -0.407 1.753 1.00 0.00 C ATOM 198 O THR A 90 -7.923 -1.304 1.030 1.00 0.00 O ATOM 199 CB THR A 90 -10.736 -0.899 2.365 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.036 -0.868 1.803 1.00 0.00 O ATOM 201 CG2 THR A 90 -10.866 -0.591 3.841 1.00 0.00 C ATOM 0 H THR A 90 -9.592 -0.334 -0.422 1.00 0.00 H new ATOM 0 HA THR A 90 -9.885 1.053 2.077 1.00 0.00 H new ATOM 0 HB THR A 90 -10.281 -1.884 2.255 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.460 -1.745 1.910 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.540 -1.311 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.886 -0.655 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.265 0.415 3.969 1.00 0.00 H new ATOM 209 N PHE A 91 -7.622 0.203 2.675 1.00 0.00 N ATOM 210 CA PHE A 91 -6.226 -0.153 2.897 1.00 0.00 C ATOM 211 C PHE A 91 -6.109 -1.327 3.864 1.00 0.00 C ATOM 212 O PHE A 91 -7.082 -1.705 4.516 1.00 0.00 O ATOM 213 CB PHE A 91 -5.454 1.050 3.441 1.00 0.00 C ATOM 214 CG PHE A 91 -3.963 0.894 3.357 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.329 0.812 2.121 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.192 0.827 4.511 1.00 0.00 C ATOM 217 CE1 PHE A 91 -1.953 0.668 2.041 1.00 0.00 C ATOM 218 CE2 PHE A 91 -1.816 0.684 4.437 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.196 0.604 3.200 1.00 0.00 C ATOM 0 H PHE A 91 -7.968 0.947 3.281 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.796 -0.451 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.750 1.941 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.736 1.212 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.915 0.861 1.215 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.671 0.887 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.471 0.606 1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.228 0.635 5.341 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.124 0.492 3.139 1.00 0.00 H new ATOM 229 N TYR A 92 -4.911 -1.899 3.953 1.00 0.00 N ATOM 230 CA TYR A 92 -4.671 -3.031 4.842 1.00 0.00 C ATOM 231 C TYR A 92 -3.179 -3.325 4.964 1.00 0.00 C ATOM 232 O TYR A 92 -2.389 -2.938 4.103 1.00 0.00 O ATOM 233 CB TYR A 92 -5.406 -4.269 4.331 1.00 0.00 C ATOM 234 CG TYR A 92 -6.679 -4.574 5.089 1.00 0.00 C ATOM 235 CD1 TYR A 92 -6.635 -5.166 6.350 1.00 0.00 C ATOM 236 CD2 TYR A 92 -7.925 -4.272 4.544 1.00 0.00 C ATOM 237 CE1 TYR A 92 -7.800 -5.447 7.047 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.094 -4.549 5.235 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.026 -5.136 6.486 1.00 0.00 C ATOM 240 OH TYR A 92 -10.184 -5.414 7.175 1.00 0.00 O ATOM 0 H TYR A 92 -4.094 -1.598 3.422 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.051 -2.771 5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.645 -4.130 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.740 -5.129 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.679 -5.409 6.791 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.981 -3.815 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.751 -5.906 8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.052 -4.308 4.799 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.957 -5.133 6.642 1.00 0.00 H new ATOM 250 N ARG A 93 -2.803 -4.012 6.038 1.00 0.00 N ATOM 251 CA ARG A 93 -1.406 -4.360 6.274 1.00 0.00 C ATOM 252 C ARG A 93 -1.282 -5.775 6.827 1.00 0.00 C ATOM 253 O ARG A 93 -0.207 -6.189 7.260 1.00 0.00 O ATOM 254 CB ARG A 93 -0.769 -3.368 7.247 1.00 0.00 C ATOM 255 CG ARG A 93 -0.928 -1.916 6.824 1.00 0.00 C ATOM 256 CD ARG A 93 -1.153 -1.007 8.021 1.00 0.00 C ATOM 257 NE ARG A 93 0.085 -0.377 8.470 1.00 0.00 N ATOM 258 CZ ARG A 93 0.123 0.752 9.170 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.003 1.368 9.500 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.289 1.264 9.541 1.00 0.00 N ATOM 0 H ARG A 93 -3.446 -4.339 6.759 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.882 -4.313 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.214 -3.502 8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.293 -3.596 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.038 -1.594 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.768 -1.827 6.135 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.878 -0.236 7.760 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.583 -1.585 8.839 1.00 0.00 H new ATOM 0 HE ARG A 93 0.969 -0.828 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.901 0.976 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.972 2.234 10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.157 0.791 9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.318 2.131 10.078 1.00 0.00 H new ATOM 274 N THR A 94 -2.387 -6.512 6.811 1.00 0.00 N ATOM 275 CA THR A 94 -2.397 -7.880 7.313 1.00 0.00 C ATOM 276 C THR A 94 -3.544 -8.674 6.702 1.00 0.00 C ATOM 277 O THR A 94 -4.611 -8.808 7.299 1.00 0.00 O ATOM 278 CB THR A 94 -2.512 -7.883 8.837 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.538 -7.005 9.264 1.00 0.00 O ATOM 280 CG2 THR A 94 -1.234 -7.468 9.530 1.00 0.00 C ATOM 0 H THR A 94 -3.286 -6.185 6.456 1.00 0.00 H new ATOM 0 HA THR A 94 -1.459 -8.355 7.026 1.00 0.00 H new ATOM 0 HB THR A 94 -2.738 -8.914 9.110 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.369 -7.217 8.789 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.382 -7.491 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.433 -8.156 9.259 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.965 -6.458 9.222 1.00 0.00 H new ATOM 288 N PRO A 95 -3.331 -9.212 5.493 1.00 0.00 N ATOM 289 CA PRO A 95 -4.347 -9.998 4.788 1.00 0.00 C ATOM 290 C PRO A 95 -4.589 -11.352 5.445 1.00 0.00 C ATOM 291 O PRO A 95 -3.882 -12.316 5.164 1.00 0.00 O ATOM 292 CB PRO A 95 -3.747 -10.178 3.391 1.00 0.00 C ATOM 293 CG PRO A 95 -2.275 -10.063 3.590 1.00 0.00 C ATOM 294 CD PRO A 95 -2.082 -9.091 4.722 1.00 0.00 C ATOM 0 HA PRO A 95 -5.319 -9.505 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.014 -11.146 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.114 -9.417 2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.837 -11.032 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.786 -9.707 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.211 -9.345 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.932 -8.075 4.358 1.00 0.00 H new ATOM 302 N SER A 96 -5.593 -11.403 6.323 1.00 0.00 N ATOM 303 CA SER A 96 -5.957 -12.626 7.047 1.00 0.00 C ATOM 304 C SER A 96 -5.399 -13.882 6.381 1.00 0.00 C ATOM 305 O SER A 96 -4.625 -14.624 6.986 1.00 0.00 O ATOM 306 CB SER A 96 -7.479 -12.735 7.160 1.00 0.00 C ATOM 307 OG SER A 96 -7.921 -14.044 6.848 1.00 0.00 O ATOM 0 H SER A 96 -6.177 -10.599 6.553 1.00 0.00 H new ATOM 0 HA SER A 96 -5.514 -12.556 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.791 -12.474 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.949 -12.019 6.486 1.00 0.00 H new ATOM 0 HG SER A 96 -8.897 -14.088 6.929 1.00 0.00 H new ATOM 313 N PRO A 97 -5.784 -14.135 5.121 1.00 0.00 N ATOM 314 CA PRO A 97 -5.318 -15.305 4.373 1.00 0.00 C ATOM 315 C PRO A 97 -3.821 -15.540 4.540 1.00 0.00 C ATOM 316 O PRO A 97 -3.378 -16.668 4.758 1.00 0.00 O ATOM 317 CB PRO A 97 -5.651 -14.942 2.928 1.00 0.00 C ATOM 318 CG PRO A 97 -6.847 -14.059 3.031 1.00 0.00 C ATOM 319 CD PRO A 97 -6.701 -13.298 4.325 1.00 0.00 C ATOM 0 HA PRO A 97 -5.785 -16.229 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.819 -14.429 2.446 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.864 -15.831 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.901 -13.377 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.765 -14.646 3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.292 -12.301 4.159 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -7.661 -13.169 4.824 1.00 0.00 H new ATOM 327 N ASP A 98 -3.050 -14.465 4.442 1.00 0.00 N ATOM 328 CA ASP A 98 -1.601 -14.542 4.586 1.00 0.00 C ATOM 329 C ASP A 98 -1.060 -13.272 5.236 1.00 0.00 C ATOM 330 O ASP A 98 -0.025 -12.747 4.829 1.00 0.00 O ATOM 331 CB ASP A 98 -0.940 -14.753 3.222 1.00 0.00 C ATOM 332 CG ASP A 98 0.560 -14.944 3.329 1.00 0.00 C ATOM 333 OD1 ASP A 98 0.996 -16.086 3.583 1.00 0.00 O ATOM 334 OD2 ASP A 98 1.298 -13.951 3.159 1.00 0.00 O ATOM 0 H ASP A 98 -3.405 -13.526 4.263 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.365 -15.391 5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.381 -15.625 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.149 -13.895 2.583 1.00 0.00 H new ATOM 339 N ALA A 99 -1.777 -12.785 6.246 1.00 0.00 N ATOM 340 CA ALA A 99 -1.389 -11.576 6.961 1.00 0.00 C ATOM 341 C ALA A 99 0.126 -11.413 7.002 1.00 0.00 C ATOM 342 O ALA A 99 0.718 -10.811 6.106 1.00 0.00 O ATOM 343 CB ALA A 99 -1.961 -11.595 8.370 1.00 0.00 C ATOM 0 H ALA A 99 -2.636 -13.215 6.588 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.798 -10.721 6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.665 -10.687 8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.049 -11.647 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.580 -12.465 8.906 1.00 0.00 H new ATOM 349 N LYS A 100 0.749 -11.946 8.047 1.00 0.00 N ATOM 350 CA LYS A 100 2.195 -11.850 8.199 1.00 0.00 C ATOM 351 C LYS A 100 2.655 -10.405 8.036 1.00 0.00 C ATOM 352 O LYS A 100 3.817 -10.141 7.727 1.00 0.00 O ATOM 353 CB LYS A 100 2.899 -12.742 7.174 1.00 0.00 C ATOM 354 CG LYS A 100 3.495 -14.005 7.775 1.00 0.00 C ATOM 355 CD LYS A 100 2.450 -15.098 7.925 1.00 0.00 C ATOM 356 CE LYS A 100 2.811 -16.331 7.113 1.00 0.00 C ATOM 357 NZ LYS A 100 3.366 -15.974 5.778 1.00 0.00 N ATOM 0 H LYS A 100 0.277 -12.448 8.799 1.00 0.00 H new ATOM 0 HA LYS A 100 2.457 -12.190 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.187 -13.020 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.691 -12.171 6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.308 -14.362 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.927 -13.777 8.750 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.354 -15.369 8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.479 -14.721 7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.541 -16.926 7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.925 -16.953 6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.105 -16.706 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.979 -15.057 5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.402 -15.910 5.839 1.00 0.00 H new ATOM 371 N ALA A 101 1.731 -9.473 8.247 1.00 0.00 N ATOM 372 CA ALA A 101 2.032 -8.053 8.125 1.00 0.00 C ATOM 373 C ALA A 101 2.519 -7.709 6.724 1.00 0.00 C ATOM 374 O ALA A 101 3.695 -7.882 6.403 1.00 0.00 O ATOM 375 CB ALA A 101 3.064 -7.643 9.163 1.00 0.00 C ATOM 0 H ALA A 101 0.765 -9.678 8.504 1.00 0.00 H new ATOM 0 HA ALA A 101 1.112 -7.496 8.303 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.280 -6.580 9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.674 -7.840 10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.979 -8.215 9.012 1.00 0.00 H new ATOM 381 N PHE A 102 1.606 -7.217 5.892 1.00 0.00 N ATOM 382 CA PHE A 102 1.939 -6.844 4.523 1.00 0.00 C ATOM 383 C PHE A 102 3.084 -5.837 4.499 1.00 0.00 C ATOM 384 O PHE A 102 3.845 -5.727 5.461 1.00 0.00 O ATOM 385 CB PHE A 102 0.711 -6.257 3.826 1.00 0.00 C ATOM 386 CG PHE A 102 0.298 -7.015 2.596 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.252 -7.601 1.772 1.00 0.00 C ATOM 388 CD2 PHE A 102 -1.046 -7.141 2.262 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.872 -8.301 0.636 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.431 -7.840 1.127 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.471 -8.420 0.314 1.00 0.00 C ATOM 0 H PHE A 102 0.629 -7.068 6.143 1.00 0.00 H new ATOM 0 HA PHE A 102 2.258 -7.740 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.122 -6.240 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.919 -5.222 3.553 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.300 -7.510 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.798 -6.690 2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.622 -8.753 0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.478 -7.932 0.878 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.769 -8.964 -0.570 1.00 0.00 H new ATOM 401 N ILE A 103 3.201 -5.103 3.397 1.00 0.00 N ATOM 402 CA ILE A 103 4.255 -4.106 3.254 1.00 0.00 C ATOM 403 C ILE A 103 4.059 -2.957 4.238 1.00 0.00 C ATOM 404 O ILE A 103 3.279 -2.038 3.988 1.00 0.00 O ATOM 405 CB ILE A 103 4.297 -3.539 1.821 1.00 0.00 C ATOM 406 CG1 ILE A 103 4.505 -4.667 0.809 1.00 0.00 C ATOM 407 CG2 ILE A 103 5.398 -2.498 1.697 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.563 -5.665 1.225 1.00 0.00 C ATOM 0 H ILE A 103 2.580 -5.180 2.592 1.00 0.00 H new ATOM 0 HA ILE A 103 5.199 -4.607 3.467 1.00 0.00 H new ATOM 0 HB ILE A 103 3.343 -3.057 1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.561 -5.191 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.783 -4.235 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 103 5.416 -2.107 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 103 5.209 -1.683 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 103 6.360 -2.957 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.657 -6.436 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 103 6.518 -5.154 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.277 -6.125 2.171 1.00 0.00 H new ATOM 420 N GLU A 104 4.769 -3.018 5.362 1.00 0.00 N ATOM 421 CA GLU A 104 4.672 -1.986 6.387 1.00 0.00 C ATOM 422 C GLU A 104 5.931 -1.123 6.421 1.00 0.00 C ATOM 423 O GLU A 104 6.795 -1.233 5.552 1.00 0.00 O ATOM 424 CB GLU A 104 4.441 -2.622 7.758 1.00 0.00 C ATOM 425 CG GLU A 104 3.079 -2.306 8.353 1.00 0.00 C ATOM 426 CD GLU A 104 3.124 -2.155 9.861 1.00 0.00 C ATOM 427 OE1 GLU A 104 2.967 -3.176 10.564 1.00 0.00 O ATOM 428 OE2 GLU A 104 3.316 -1.017 10.338 1.00 0.00 O ATOM 0 H GLU A 104 5.418 -3.773 5.585 1.00 0.00 H new ATOM 0 HA GLU A 104 3.825 -1.346 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.548 -3.703 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.216 -2.279 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.698 -1.386 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.379 -3.100 8.091 1.00 0.00 H new ATOM 435 N VAL A 105 6.024 -0.265 7.433 1.00 0.00 N ATOM 436 CA VAL A 105 7.174 0.619 7.584 1.00 0.00 C ATOM 437 C VAL A 105 8.438 -0.173 7.900 1.00 0.00 C ATOM 438 O VAL A 105 8.379 -1.243 8.505 1.00 0.00 O ATOM 439 CB VAL A 105 6.942 1.657 8.698 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.774 2.905 8.447 1.00 0.00 C ATOM 441 CG2 VAL A 105 5.466 2.004 8.806 1.00 0.00 C ATOM 0 H VAL A 105 5.316 -0.164 8.160 1.00 0.00 H new ATOM 0 HA VAL A 105 7.301 1.138 6.634 1.00 0.00 H new ATOM 0 HB VAL A 105 7.259 1.222 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.597 3.627 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.831 2.640 8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.491 3.344 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.322 2.739 9.598 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.119 2.419 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.897 1.104 9.038 1.00 0.00 H new ATOM 451 N GLY A 106 9.582 0.361 7.484 1.00 0.00 N ATOM 452 CA GLY A 106 10.846 -0.310 7.731 1.00 0.00 C ATOM 453 C GLY A 106 10.993 -1.581 6.919 1.00 0.00 C ATOM 454 O GLY A 106 11.972 -2.313 7.069 1.00 0.00 O ATOM 0 H GLY A 106 9.657 1.245 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.666 0.367 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.927 -0.548 8.792 1.00 0.00 H new ATOM 458 N GLN A 107 10.016 -1.844 6.056 1.00 0.00 N ATOM 459 CA GLN A 107 10.038 -3.034 5.216 1.00 0.00 C ATOM 460 C GLN A 107 9.719 -2.670 3.766 1.00 0.00 C ATOM 461 O GLN A 107 9.014 -1.693 3.507 1.00 0.00 O ATOM 462 CB GLN A 107 9.026 -4.063 5.737 1.00 0.00 C ATOM 463 CG GLN A 107 9.402 -5.510 5.449 1.00 0.00 C ATOM 464 CD GLN A 107 9.386 -5.835 3.968 1.00 0.00 C ATOM 465 OE1 GLN A 107 10.432 -5.895 3.323 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.194 -6.049 3.422 1.00 0.00 N ATOM 0 H GLN A 107 9.199 -1.248 5.921 1.00 0.00 H new ATOM 0 HA GLN A 107 11.037 -3.469 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.917 -3.935 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.053 -3.857 5.291 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.396 -5.710 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.710 -6.172 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.352 -5.989 3.995 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.120 -6.274 2.430 1.00 0.00 H new ATOM 475 N LYS A 108 10.239 -3.451 2.821 1.00 0.00 N ATOM 476 CA LYS A 108 10.001 -3.194 1.407 1.00 0.00 C ATOM 477 C LYS A 108 10.818 -4.141 0.538 1.00 0.00 C ATOM 478 O LYS A 108 11.231 -5.211 0.987 1.00 0.00 O ATOM 479 CB LYS A 108 10.346 -1.743 1.068 1.00 0.00 C ATOM 480 CG LYS A 108 9.384 -1.080 0.090 1.00 0.00 C ATOM 481 CD LYS A 108 7.943 -1.483 0.352 1.00 0.00 C ATOM 482 CE LYS A 108 6.968 -0.557 -0.357 1.00 0.00 C ATOM 483 NZ LYS A 108 6.881 -0.856 -1.813 1.00 0.00 N ATOM 0 H LYS A 108 10.826 -4.264 3.010 1.00 0.00 H new ATOM 0 HA LYS A 108 8.944 -3.366 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.366 -1.162 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.352 -1.710 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.478 0.003 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.658 -1.352 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.784 -2.507 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.748 -1.466 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.980 -0.655 0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.281 0.477 -0.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.463 -0.043 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.834 -1.038 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.285 -1.695 -1.960 1.00 0.00 H new ATOM 497 N VAL A 109 11.047 -3.743 -0.708 1.00 0.00 N ATOM 498 CA VAL A 109 11.812 -4.558 -1.641 1.00 0.00 C ATOM 499 C VAL A 109 11.880 -3.903 -3.016 1.00 0.00 C ATOM 500 O VAL A 109 11.455 -2.761 -3.191 1.00 0.00 O ATOM 501 CB VAL A 109 11.205 -5.968 -1.782 1.00 0.00 C ATOM 502 CG1 VAL A 109 11.867 -6.935 -0.813 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.700 -5.925 -1.557 1.00 0.00 C ATOM 0 H VAL A 109 10.713 -2.860 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 109 12.820 -4.644 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 109 11.390 -6.323 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 109 11.425 -7.925 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.935 -6.988 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.716 -6.587 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.288 -6.929 -1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.492 -5.549 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.241 -5.267 -2.294 1.00 0.00 H new ATOM 513 N ASN A 110 12.415 -4.633 -3.990 1.00 0.00 N ATOM 514 CA ASN A 110 12.535 -4.121 -5.350 1.00 0.00 C ATOM 515 C ASN A 110 11.259 -4.381 -6.144 1.00 0.00 C ATOM 516 O ASN A 110 10.464 -5.255 -5.793 1.00 0.00 O ATOM 517 CB ASN A 110 13.730 -4.767 -6.056 1.00 0.00 C ATOM 518 CG ASN A 110 13.767 -6.271 -5.871 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.891 -6.989 -6.354 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.784 -6.756 -5.168 1.00 0.00 N ATOM 0 H ASN A 110 12.772 -5.580 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 110 12.693 -3.044 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 110 13.688 -4.536 -7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.653 -4.334 -5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.862 -7.761 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.487 -6.124 -4.786 1.00 0.00 H new ATOM 527 N VAL A 111 11.069 -3.617 -7.214 1.00 0.00 N ATOM 528 CA VAL A 111 9.889 -3.761 -8.057 1.00 0.00 C ATOM 529 C VAL A 111 9.667 -5.218 -8.448 1.00 0.00 C ATOM 530 O VAL A 111 10.485 -5.814 -9.151 1.00 0.00 O ATOM 531 CB VAL A 111 10.005 -2.913 -9.336 1.00 0.00 C ATOM 532 CG1 VAL A 111 8.880 -3.248 -10.303 1.00 0.00 C ATOM 533 CG2 VAL A 111 10.000 -1.430 -8.994 1.00 0.00 C ATOM 0 H VAL A 111 11.718 -2.891 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 111 9.039 -3.410 -7.472 1.00 0.00 H new ATOM 0 HB VAL A 111 10.952 -3.148 -9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.979 -2.639 -11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.934 -4.303 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.920 -3.043 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.083 -0.845 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.070 -1.177 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 111 10.844 -1.204 -8.342 1.00 0.00 H new ATOM 543 N GLY A 112 8.557 -5.788 -7.991 1.00 0.00 N ATOM 544 CA GLY A 112 8.249 -7.170 -8.307 1.00 0.00 C ATOM 545 C GLY A 112 7.502 -7.872 -7.189 1.00 0.00 C ATOM 546 O GLY A 112 6.705 -8.776 -7.441 1.00 0.00 O ATOM 0 H GLY A 112 7.865 -5.317 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.650 -7.206 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.175 -7.707 -8.513 1.00 0.00 H new ATOM 550 N ASP A 113 7.760 -7.460 -5.953 1.00 0.00 N ATOM 551 CA ASP A 113 7.106 -8.059 -4.795 1.00 0.00 C ATOM 552 C ASP A 113 5.681 -7.537 -4.634 1.00 0.00 C ATOM 553 O ASP A 113 5.196 -6.762 -5.458 1.00 0.00 O ATOM 554 CB ASP A 113 7.909 -7.780 -3.527 1.00 0.00 C ATOM 555 CG ASP A 113 8.504 -9.040 -2.928 1.00 0.00 C ATOM 556 OD1 ASP A 113 7.726 -9.913 -2.489 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.747 -9.153 -2.897 1.00 0.00 O ATOM 0 H ASP A 113 8.417 -6.714 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 113 7.059 -9.136 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.710 -7.077 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.264 -7.301 -2.790 1.00 0.00 H new ATOM 562 N THR A 114 5.016 -7.967 -3.565 1.00 0.00 N ATOM 563 CA THR A 114 3.647 -7.545 -3.292 1.00 0.00 C ATOM 564 C THR A 114 3.623 -6.203 -2.568 1.00 0.00 C ATOM 565 O THR A 114 4.668 -5.667 -2.198 1.00 0.00 O ATOM 566 CB THR A 114 2.924 -8.601 -2.453 1.00 0.00 C ATOM 567 OG1 THR A 114 3.676 -9.800 -2.401 1.00 0.00 O ATOM 568 CG2 THR A 114 1.547 -8.944 -2.979 1.00 0.00 C ATOM 0 H THR A 114 5.404 -8.608 -2.873 1.00 0.00 H new ATOM 0 HA THR A 114 3.133 -7.431 -4.246 1.00 0.00 H new ATOM 0 HB THR A 114 2.816 -8.159 -1.462 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.199 -10.462 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.090 -9.698 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.926 -8.048 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.632 -9.333 -3.994 1.00 0.00 H new ATOM 576 N LEU A 115 2.423 -5.664 -2.370 1.00 0.00 N ATOM 577 CA LEU A 115 2.265 -4.383 -1.691 1.00 0.00 C ATOM 578 C LEU A 115 1.200 -4.470 -0.602 1.00 0.00 C ATOM 579 O LEU A 115 1.510 -4.422 0.588 1.00 0.00 O ATOM 580 CB LEU A 115 1.897 -3.290 -2.696 1.00 0.00 C ATOM 581 CG LEU A 115 2.770 -2.036 -2.637 1.00 0.00 C ATOM 582 CD1 LEU A 115 2.036 -0.847 -3.237 1.00 0.00 C ATOM 583 CD2 LEU A 115 3.183 -1.743 -1.203 1.00 0.00 C ATOM 0 H LEU A 115 1.548 -6.094 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 115 3.216 -4.130 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.955 -3.708 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.859 -3.000 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 115 3.671 -2.214 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.672 0.037 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.790 -1.058 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.118 -0.666 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.804 -0.847 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.293 -1.584 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.748 -2.587 -0.807 1.00 0.00 H new ATOM 595 N CYS A 116 -0.058 -4.597 -1.015 1.00 0.00 N ATOM 596 CA CYS A 116 -1.165 -4.690 -0.068 1.00 0.00 C ATOM 597 C CYS A 116 -2.504 -4.786 -0.793 1.00 0.00 C ATOM 598 O CYS A 116 -2.643 -4.321 -1.924 1.00 0.00 O ATOM 599 CB CYS A 116 -1.166 -3.479 0.869 1.00 0.00 C ATOM 600 SG CYS A 116 -1.053 -1.888 0.018 1.00 0.00 S ATOM 0 H CYS A 116 -0.336 -4.638 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.027 -5.598 0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.078 -3.496 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.329 -3.569 1.562 1.00 0.00 H new ATOM 0 HG CYS A 116 -1.528 -0.951 0.784 1.00 0.00 H new ATOM 606 N ILE A 117 -3.488 -5.393 -0.132 1.00 0.00 N ATOM 607 CA ILE A 117 -4.817 -5.554 -0.711 1.00 0.00 C ATOM 608 C ILE A 117 -5.647 -4.283 -0.549 1.00 0.00 C ATOM 609 O ILE A 117 -5.784 -3.755 0.554 1.00 0.00 O ATOM 610 CB ILE A 117 -5.574 -6.740 -0.070 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.003 -8.069 -0.564 1.00 0.00 C ATOM 612 CG2 ILE A 117 -7.063 -6.661 -0.383 1.00 0.00 C ATOM 613 CD1 ILE A 117 -4.841 -9.103 0.529 1.00 0.00 C ATOM 0 H ILE A 117 -3.388 -5.781 0.806 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.676 -5.757 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.443 -6.682 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.657 -8.470 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.033 -7.888 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.577 -7.505 0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.469 -5.730 0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.210 -6.692 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.431 -10.020 0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.163 -8.722 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.812 -9.313 0.978 1.00 0.00 H new ATOM 625 N VAL A 118 -6.208 -3.806 -1.656 1.00 0.00 N ATOM 626 CA VAL A 118 -7.037 -2.608 -1.637 1.00 0.00 C ATOM 627 C VAL A 118 -8.452 -2.946 -1.188 1.00 0.00 C ATOM 628 O VAL A 118 -9.216 -2.072 -0.781 1.00 0.00 O ATOM 629 CB VAL A 118 -7.094 -1.937 -3.023 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.721 -0.556 -2.924 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.704 -1.859 -3.635 1.00 0.00 C ATOM 0 H VAL A 118 -6.103 -4.232 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.583 -1.912 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.719 -2.546 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.752 -0.099 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.735 -0.644 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.127 0.066 -2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.763 -1.382 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.053 -1.274 -2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.298 -2.865 -3.745 1.00 0.00 H new ATOM 641 N GLU A 119 -8.790 -4.230 -1.267 1.00 0.00 N ATOM 642 CA GLU A 119 -10.109 -4.705 -0.870 1.00 0.00 C ATOM 643 C GLU A 119 -11.212 -3.836 -1.465 1.00 0.00 C ATOM 644 O GLU A 119 -12.212 -3.548 -0.808 1.00 0.00 O ATOM 645 CB GLU A 119 -10.227 -4.728 0.655 1.00 0.00 C ATOM 646 CG GLU A 119 -11.508 -5.374 1.161 1.00 0.00 C ATOM 647 CD GLU A 119 -12.000 -4.754 2.454 1.00 0.00 C ATOM 648 OE1 GLU A 119 -12.776 -3.777 2.386 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.611 -5.246 3.534 1.00 0.00 O ATOM 0 H GLU A 119 -8.165 -4.962 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.230 -5.718 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.373 -5.264 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -10.174 -3.706 1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -12.283 -5.282 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.337 -6.440 1.315 1.00 0.00 H new ATOM 656 N ALA A 120 -11.026 -3.426 -2.714 1.00 0.00 N ATOM 657 CA ALA A 120 -12.011 -2.596 -3.397 1.00 0.00 C ATOM 658 C ALA A 120 -13.101 -3.459 -4.021 1.00 0.00 C ATOM 659 O ALA A 120 -12.822 -4.318 -4.856 1.00 0.00 O ATOM 660 CB ALA A 120 -11.338 -1.739 -4.458 1.00 0.00 C ATOM 0 H ALA A 120 -10.204 -3.654 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 120 -12.475 -1.938 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.087 -1.125 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.596 -1.094 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.849 -2.383 -5.189 1.00 0.00 H new ATOM 666 N MET A 121 -14.343 -3.231 -3.605 1.00 0.00 N ATOM 667 CA MET A 121 -15.472 -3.995 -4.122 1.00 0.00 C ATOM 668 C MET A 121 -15.209 -5.492 -3.997 1.00 0.00 C ATOM 669 O MET A 121 -15.627 -6.279 -4.846 1.00 0.00 O ATOM 670 CB MET A 121 -15.739 -3.631 -5.585 1.00 0.00 C ATOM 671 CG MET A 121 -14.739 -4.231 -6.561 1.00 0.00 C ATOM 672 SD MET A 121 -15.474 -4.608 -8.164 1.00 0.00 S ATOM 673 CE MET A 121 -15.922 -6.327 -7.936 1.00 0.00 C ATOM 0 H MET A 121 -14.592 -2.525 -2.913 1.00 0.00 H new ATOM 0 HA MET A 121 -16.353 -3.744 -3.530 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.741 -3.965 -5.855 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.726 -2.546 -5.688 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.911 -3.536 -6.700 1.00 0.00 H new ATOM 0 HG3 MET A 121 -14.322 -5.143 -6.133 1.00 0.00 H new ATOM 0 HE1 MET A 121 -16.292 -6.735 -8.877 1.00 0.00 H new ATOM 0 HE2 MET A 121 -15.047 -6.892 -7.615 1.00 0.00 H new ATOM 0 HE3 MET A 121 -16.701 -6.402 -7.177 1.00 0.00 H new ATOM 683 N LYS A 122 -14.506 -5.876 -2.935 1.00 0.00 N ATOM 684 CA LYS A 122 -14.182 -7.278 -2.702 1.00 0.00 C ATOM 685 C LYS A 122 -13.480 -7.873 -3.917 1.00 0.00 C ATOM 686 O LYS A 122 -13.944 -8.855 -4.497 1.00 0.00 O ATOM 687 CB LYS A 122 -15.451 -8.073 -2.388 1.00 0.00 C ATOM 688 CG LYS A 122 -15.180 -9.502 -1.949 1.00 0.00 C ATOM 689 CD LYS A 122 -13.904 -9.601 -1.129 1.00 0.00 C ATOM 690 CE LYS A 122 -14.036 -8.867 0.197 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.356 -9.570 1.280 1.00 0.00 N ATOM 0 H LYS A 122 -14.151 -5.236 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.509 -7.337 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.006 -7.560 -1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -16.089 -8.088 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.021 -9.869 -1.361 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.101 -10.144 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -13.669 -10.649 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.072 -9.183 -1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.621 -7.864 0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.091 -8.753 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -13.470 -9.037 2.166 1.00 0.00 H new ATOM 702 N MET A 123 -12.364 -7.264 -4.303 1.00 0.00 N ATOM 703 CA MET A 123 -11.602 -7.727 -5.456 1.00 0.00 C ATOM 704 C MET A 123 -10.149 -8.011 -5.083 1.00 0.00 C ATOM 705 O MET A 123 -9.298 -8.174 -5.957 1.00 0.00 O ATOM 706 CB MET A 123 -11.663 -6.684 -6.577 1.00 0.00 C ATOM 707 CG MET A 123 -10.594 -5.608 -6.469 1.00 0.00 C ATOM 708 SD MET A 123 -10.742 -4.352 -7.755 1.00 0.00 S ATOM 709 CE MET A 123 -9.845 -2.993 -7.011 1.00 0.00 C ATOM 0 H MET A 123 -11.968 -6.449 -3.834 1.00 0.00 H new ATOM 0 HA MET A 123 -12.048 -8.658 -5.804 1.00 0.00 H new ATOM 0 HB2 MET A 123 -11.562 -7.189 -7.537 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.645 -6.211 -6.568 1.00 0.00 H new ATOM 0 HG2 MET A 123 -10.661 -5.131 -5.491 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.609 -6.072 -6.531 1.00 0.00 H new ATOM 0 HE1 MET A 123 -10.482 -2.109 -6.983 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.553 -3.262 -5.996 1.00 0.00 H new ATOM 0 HE3 MET A 123 -8.953 -2.779 -7.601 1.00 0.00 H new ATOM 719 N MET A 124 -9.872 -8.072 -3.782 1.00 0.00 N ATOM 720 CA MET A 124 -8.523 -8.339 -3.300 1.00 0.00 C ATOM 721 C MET A 124 -7.486 -7.690 -4.208 1.00 0.00 C ATOM 722 O MET A 124 -6.433 -8.269 -4.478 1.00 0.00 O ATOM 723 CB MET A 124 -8.274 -9.847 -3.218 1.00 0.00 C ATOM 724 CG MET A 124 -9.133 -10.549 -2.180 1.00 0.00 C ATOM 725 SD MET A 124 -9.160 -9.684 -0.598 1.00 0.00 S ATOM 726 CE MET A 124 -10.847 -9.082 -0.568 1.00 0.00 C ATOM 0 H MET A 124 -10.565 -7.940 -3.045 1.00 0.00 H new ATOM 0 HA MET A 124 -8.429 -7.910 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 124 -8.463 -10.292 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A 124 -7.223 -10.021 -2.986 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.152 -10.639 -2.558 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.759 -11.562 -2.029 1.00 0.00 H new ATOM 0 HE1 MET A 124 -11.023 -8.540 0.361 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.010 -8.415 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.535 -9.925 -0.632 1.00 0.00 H new ATOM 736 N ASN A 125 -7.791 -6.485 -4.677 1.00 0.00 N ATOM 737 CA ASN A 125 -6.882 -5.759 -5.557 1.00 0.00 C ATOM 738 C ASN A 125 -5.565 -5.470 -4.849 1.00 0.00 C ATOM 739 O ASN A 125 -5.297 -4.337 -4.451 1.00 0.00 O ATOM 740 CB ASN A 125 -7.527 -4.454 -6.026 1.00 0.00 C ATOM 741 CG ASN A 125 -6.511 -3.471 -6.577 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.428 -3.861 -7.016 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.856 -2.190 -6.557 1.00 0.00 N ATOM 0 H ASN A 125 -8.658 -5.991 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.676 -6.382 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -8.269 -4.674 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -8.058 -3.994 -5.192 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.213 -1.483 -6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.764 -1.912 -6.184 1.00 0.00 H new ATOM 750 N GLN A 126 -4.751 -6.507 -4.689 1.00 0.00 N ATOM 751 CA GLN A 126 -3.462 -6.371 -4.024 1.00 0.00 C ATOM 752 C GLN A 126 -2.402 -5.840 -4.981 1.00 0.00 C ATOM 753 O GLN A 126 -2.132 -6.439 -6.022 1.00 0.00 O ATOM 754 CB GLN A 126 -3.023 -7.718 -3.447 1.00 0.00 C ATOM 755 CG GLN A 126 -2.660 -8.744 -4.507 1.00 0.00 C ATOM 756 CD GLN A 126 -1.196 -9.137 -4.461 1.00 0.00 C ATOM 757 OE1 GLN A 126 -0.809 -10.055 -3.738 1.00 0.00 O ATOM 758 NE2 GLN A 126 -0.372 -8.440 -5.235 1.00 0.00 N ATOM 0 H GLN A 126 -4.962 -7.452 -5.011 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.574 -5.653 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.164 -7.562 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.825 -8.117 -2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.276 -9.633 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -2.893 -8.341 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.736 -7.687 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.624 -8.658 -5.246 1.00 0.00 H new ATOM 767 N ILE A 127 -1.802 -4.711 -4.617 1.00 0.00 N ATOM 768 CA ILE A 127 -0.768 -4.097 -5.437 1.00 0.00 C ATOM 769 C ILE A 127 0.574 -4.785 -5.226 1.00 0.00 C ATOM 770 O ILE A 127 0.817 -5.387 -4.179 1.00 0.00 O ATOM 771 CB ILE A 127 -0.612 -2.596 -5.124 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.983 -1.944 -4.934 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.162 -1.901 -6.234 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.739 -1.738 -6.229 1.00 0.00 C ATOM 0 H ILE A 127 -2.016 -4.204 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 127 -1.080 -4.212 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.051 -2.492 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.582 -2.564 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.853 -0.980 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.264 -0.842 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.151 -2.350 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.374 -2.013 -7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.701 -1.272 -6.018 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.160 -1.093 -6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.901 -2.701 -6.713 1.00 0.00 H new ATOM 786 N GLU A 128 1.444 -4.690 -6.226 1.00 0.00 N ATOM 787 CA GLU A 128 2.765 -5.299 -6.152 1.00 0.00 C ATOM 788 C GLU A 128 3.850 -4.229 -6.109 1.00 0.00 C ATOM 789 O GLU A 128 4.023 -3.470 -7.063 1.00 0.00 O ATOM 790 CB GLU A 128 2.992 -6.224 -7.349 1.00 0.00 C ATOM 791 CG GLU A 128 2.378 -7.603 -7.179 1.00 0.00 C ATOM 792 CD GLU A 128 2.950 -8.620 -8.147 1.00 0.00 C ATOM 793 OE1 GLU A 128 4.140 -8.493 -8.506 1.00 0.00 O ATOM 794 OE2 GLU A 128 2.210 -9.543 -8.547 1.00 0.00 O ATOM 0 H GLU A 128 1.257 -4.196 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 128 2.818 -5.886 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 128 2.575 -5.758 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.064 -6.331 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.543 -7.946 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.300 -7.537 -7.323 1.00 0.00 H new ATOM 801 N ALA A 129 4.577 -4.172 -4.998 1.00 0.00 N ATOM 802 CA ALA A 129 5.645 -3.193 -4.833 1.00 0.00 C ATOM 803 C ALA A 129 6.366 -2.948 -6.153 1.00 0.00 C ATOM 804 O ALA A 129 7.185 -3.759 -6.583 1.00 0.00 O ATOM 805 CB ALA A 129 6.628 -3.659 -3.768 1.00 0.00 C ATOM 0 H ALA A 129 4.446 -4.792 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 129 5.200 -2.252 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.420 -2.919 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.106 -3.779 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.063 -4.613 -4.067 1.00 0.00 H new ATOM 811 N ASP A 130 6.052 -1.827 -6.794 1.00 0.00 N ATOM 812 CA ASP A 130 6.670 -1.479 -8.069 1.00 0.00 C ATOM 813 C ASP A 130 7.390 -0.137 -7.978 1.00 0.00 C ATOM 814 O ASP A 130 7.550 0.563 -8.979 1.00 0.00 O ATOM 815 CB ASP A 130 5.613 -1.429 -9.175 1.00 0.00 C ATOM 816 CG ASP A 130 4.361 -0.689 -8.745 1.00 0.00 C ATOM 817 OD1 ASP A 130 4.249 -0.359 -7.545 1.00 0.00 O ATOM 818 OD2 ASP A 130 3.492 -0.440 -9.607 1.00 0.00 O ATOM 0 H ASP A 130 5.375 -1.145 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 130 7.403 -2.248 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.035 -0.943 -10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.349 -2.445 -9.468 1.00 0.00 H new ATOM 823 N LYS A 131 7.822 0.216 -6.773 1.00 0.00 N ATOM 824 CA LYS A 131 8.526 1.474 -6.550 1.00 0.00 C ATOM 825 C LYS A 131 10.015 1.229 -6.333 1.00 0.00 C ATOM 826 O LYS A 131 10.821 2.158 -6.388 1.00 0.00 O ATOM 827 CB LYS A 131 7.935 2.206 -5.346 1.00 0.00 C ATOM 828 CG LYS A 131 6.417 2.158 -5.287 1.00 0.00 C ATOM 829 CD LYS A 131 5.792 2.853 -6.487 1.00 0.00 C ATOM 830 CE LYS A 131 4.276 2.748 -6.461 1.00 0.00 C ATOM 831 NZ LYS A 131 3.641 3.642 -7.470 1.00 0.00 N ATOM 0 H LYS A 131 7.697 -0.351 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 131 8.404 2.095 -7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.339 1.770 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 131 8.256 3.247 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 131 6.085 1.120 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 131 6.072 2.634 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.085 3.903 -6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 131 6.173 2.408 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.980 1.717 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.911 3.005 -5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.607 3.542 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 3.903 4.629 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.969 3.380 -8.421 1.00 0.00 H new ATOM 845 N SER A 132 10.374 -0.026 -6.086 1.00 0.00 N ATOM 846 CA SER A 132 11.766 -0.393 -5.862 1.00 0.00 C ATOM 847 C SER A 132 12.406 0.516 -4.817 1.00 0.00 C ATOM 848 O SER A 132 13.275 1.327 -5.136 1.00 0.00 O ATOM 849 CB SER A 132 12.555 -0.317 -7.171 1.00 0.00 C ATOM 850 OG SER A 132 12.317 0.910 -7.838 1.00 0.00 O ATOM 0 H SER A 132 9.719 -0.806 -6.036 1.00 0.00 H new ATOM 0 HA SER A 132 11.789 -1.418 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.620 -0.422 -6.964 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.273 -1.147 -7.818 1.00 0.00 H new ATOM 0 HG SER A 132 12.198 1.624 -7.177 1.00 0.00 H new ATOM 856 N GLY A 133 11.970 0.374 -3.569 1.00 0.00 N ATOM 857 CA GLY A 133 12.513 1.190 -2.500 1.00 0.00 C ATOM 858 C GLY A 133 12.111 0.693 -1.125 1.00 0.00 C ATOM 859 O GLY A 133 11.631 -0.433 -0.979 1.00 0.00 O ATOM 0 H GLY A 133 11.252 -0.290 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 133 13.600 1.203 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.173 2.218 -2.624 1.00 0.00 H new ATOM 863 N THR A 134 12.310 1.538 -0.116 1.00 0.00 N ATOM 864 CA THR A 134 11.968 1.187 1.259 1.00 0.00 C ATOM 865 C THR A 134 10.836 2.067 1.783 1.00 0.00 C ATOM 866 O THR A 134 10.784 3.263 1.495 1.00 0.00 O ATOM 867 CB THR A 134 13.196 1.327 2.161 1.00 0.00 C ATOM 868 OG1 THR A 134 14.177 0.362 1.825 1.00 0.00 O ATOM 869 CG2 THR A 134 12.879 1.167 3.632 1.00 0.00 C ATOM 0 H THR A 134 12.707 2.471 -0.226 1.00 0.00 H new ATOM 0 HA THR A 134 11.631 0.150 1.269 1.00 0.00 H new ATOM 0 HB THR A 134 13.564 2.339 1.994 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.955 0.469 2.411 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.793 1.278 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.161 1.929 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.454 0.179 3.807 1.00 0.00 H new ATOM 877 N VAL A 135 9.932 1.469 2.554 1.00 0.00 N ATOM 878 CA VAL A 135 8.804 2.204 3.116 1.00 0.00 C ATOM 879 C VAL A 135 9.255 3.125 4.245 1.00 0.00 C ATOM 880 O VAL A 135 10.083 2.747 5.075 1.00 0.00 O ATOM 881 CB VAL A 135 7.719 1.251 3.652 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.680 2.020 4.455 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.064 0.493 2.510 1.00 0.00 C ATOM 0 H VAL A 135 9.959 0.480 2.803 1.00 0.00 H new ATOM 0 HA VAL A 135 8.384 2.801 2.307 1.00 0.00 H new ATOM 0 HB VAL A 135 8.193 0.527 4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.922 1.330 4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 135 7.164 2.514 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.209 2.769 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.300 -0.175 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.604 1.201 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.817 -0.091 1.981 1.00 0.00 H new ATOM 893 N LYS A 136 8.705 4.334 4.271 1.00 0.00 N ATOM 894 CA LYS A 136 9.050 5.309 5.298 1.00 0.00 C ATOM 895 C LYS A 136 7.932 5.434 6.329 1.00 0.00 C ATOM 896 O LYS A 136 8.189 5.576 7.524 1.00 0.00 O ATOM 897 CB LYS A 136 9.330 6.673 4.665 1.00 0.00 C ATOM 898 CG LYS A 136 10.528 7.389 5.265 1.00 0.00 C ATOM 899 CD LYS A 136 11.748 6.485 5.319 1.00 0.00 C ATOM 900 CE LYS A 136 12.068 6.065 6.744 1.00 0.00 C ATOM 901 NZ LYS A 136 13.507 6.261 7.073 1.00 0.00 N ATOM 0 H LYS A 136 8.018 4.662 3.592 1.00 0.00 H new ATOM 0 HA LYS A 136 9.950 4.960 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.495 6.541 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.448 7.303 4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.757 8.276 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.283 7.731 6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 136 11.573 5.599 4.708 1.00 0.00 H new ATOM 0 HD3 LYS A 136 12.606 7.004 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.456 6.641 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 136 11.804 5.016 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 13.683 5.962 8.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 14.091 5.692 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 13.753 7.266 6.968 1.00 0.00 H new ATOM 915 N ALA A 137 6.689 5.381 5.858 1.00 0.00 N ATOM 916 CA ALA A 137 5.534 5.489 6.741 1.00 0.00 C ATOM 917 C ALA A 137 4.229 5.396 5.957 1.00 0.00 C ATOM 918 O ALA A 137 4.230 5.404 4.726 1.00 0.00 O ATOM 919 CB ALA A 137 5.590 6.792 7.524 1.00 0.00 C ATOM 0 H ALA A 137 6.457 5.264 4.872 1.00 0.00 H new ATOM 0 HA ALA A 137 5.565 4.654 7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.722 6.860 8.179 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.500 6.818 8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.588 7.633 6.831 1.00 0.00 H new ATOM 925 N ILE A 138 3.117 5.309 6.681 1.00 0.00 N ATOM 926 CA ILE A 138 1.803 5.216 6.056 1.00 0.00 C ATOM 927 C ILE A 138 0.883 6.332 6.544 1.00 0.00 C ATOM 928 O ILE A 138 0.942 6.733 7.707 1.00 0.00 O ATOM 929 CB ILE A 138 1.140 3.854 6.346 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.877 2.736 5.605 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.330 3.879 5.950 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.041 1.492 5.397 1.00 0.00 C ATOM 0 H ILE A 138 3.100 5.301 7.701 1.00 0.00 H new ATOM 0 HA ILE A 138 1.954 5.317 4.981 1.00 0.00 H new ATOM 0 HB ILE A 138 1.202 3.660 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.205 3.109 4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.774 2.471 6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.780 2.909 6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.847 4.652 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.416 4.094 4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.629 0.743 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.735 1.094 6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.157 1.742 4.811 1.00 0.00 H new ATOM 944 N LEU A 139 0.034 6.829 5.649 1.00 0.00 N ATOM 945 CA LEU A 139 -0.897 7.898 5.991 1.00 0.00 C ATOM 946 C LEU A 139 -2.331 7.381 6.032 1.00 0.00 C ATOM 947 O LEU A 139 -3.100 7.727 6.928 1.00 0.00 O ATOM 948 CB LEU A 139 -0.784 9.042 4.981 1.00 0.00 C ATOM 949 CG LEU A 139 0.360 10.024 5.239 1.00 0.00 C ATOM 950 CD1 LEU A 139 0.120 10.797 6.527 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.689 9.287 5.296 1.00 0.00 C ATOM 0 H LEU A 139 -0.028 6.509 4.683 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.636 8.269 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.659 8.616 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.723 9.595 4.976 1.00 0.00 H new ATOM 0 HG LEU A 139 0.397 10.736 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.944 11.491 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.813 11.355 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.057 10.100 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.493 10.000 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.664 8.553 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.865 8.779 4.347 1.00 0.00 H new ATOM 963 N VAL A 140 -2.683 6.550 5.056 1.00 0.00 N ATOM 964 CA VAL A 140 -4.025 5.986 4.981 1.00 0.00 C ATOM 965 C VAL A 140 -4.414 5.314 6.293 1.00 0.00 C ATOM 966 O VAL A 140 -5.446 5.634 6.883 1.00 0.00 O ATOM 967 CB VAL A 140 -4.143 4.960 3.839 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.480 4.238 3.904 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.961 5.640 2.491 1.00 0.00 C ATOM 0 H VAL A 140 -2.058 6.253 4.307 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.704 6.816 4.785 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.352 4.220 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.544 3.517 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.566 3.716 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.289 4.962 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.047 4.900 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.729 6.403 2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.976 6.105 2.448 1.00 0.00 H new ATOM 979 N GLU A 141 -3.583 4.379 6.744 1.00 0.00 N ATOM 980 CA GLU A 141 -3.842 3.661 7.985 1.00 0.00 C ATOM 981 C GLU A 141 -4.761 2.469 7.738 1.00 0.00 C ATOM 982 O GLU A 141 -5.981 2.616 7.671 1.00 0.00 O ATOM 983 CB GLU A 141 -4.469 4.596 9.021 1.00 0.00 C ATOM 984 CG GLU A 141 -3.848 5.983 9.044 1.00 0.00 C ATOM 985 CD GLU A 141 -3.255 6.334 10.394 1.00 0.00 C ATOM 986 OE1 GLU A 141 -3.775 5.842 11.418 1.00 0.00 O ATOM 987 OE2 GLU A 141 -2.270 7.101 10.429 1.00 0.00 O ATOM 0 H GLU A 141 -2.725 4.102 6.268 1.00 0.00 H new ATOM 0 HA GLU A 141 -2.890 3.293 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -5.536 4.688 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.372 4.147 10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.070 6.041 8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -4.606 6.721 8.781 1.00 0.00 H new ATOM 994 N SER A 142 -4.165 1.290 7.600 1.00 0.00 N ATOM 995 CA SER A 142 -4.928 0.073 7.357 1.00 0.00 C ATOM 996 C SER A 142 -6.226 0.080 8.160 1.00 0.00 C ATOM 997 O SER A 142 -6.365 0.834 9.124 1.00 0.00 O ATOM 998 CB SER A 142 -4.094 -1.157 7.719 1.00 0.00 C ATOM 999 OG SER A 142 -4.925 -2.258 8.044 1.00 0.00 O ATOM 0 H SER A 142 -3.156 1.152 7.652 1.00 0.00 H new ATOM 0 HA SER A 142 -5.177 0.032 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.446 -1.420 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.445 -0.925 8.564 1.00 0.00 H new ATOM 0 HG SER A 142 -4.369 -3.032 8.270 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.177 -0.760 7.761 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.446 -0.824 8.458 1.00 0.00 C ATOM 1007 C GLY A 143 -9.360 0.332 8.100 1.00 0.00 C ATOM 1008 O GLY A 143 -10.509 0.382 8.539 1.00 0.00 O ATOM 0 H GLY A 143 -7.090 -1.396 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.942 -1.764 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.268 -0.823 9.533 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.847 1.263 7.302 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.623 2.426 6.885 1.00 0.00 C ATOM 1014 C GLN A 144 -9.805 2.442 5.371 1.00 0.00 C ATOM 1015 O GLN A 144 -9.031 1.832 4.634 1.00 0.00 O ATOM 1016 CB GLN A 144 -8.935 3.715 7.339 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.635 4.403 8.499 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.229 5.856 8.645 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -10.005 6.685 9.118 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.005 6.170 8.238 1.00 0.00 N ATOM 0 H GLN A 144 -7.897 1.235 6.931 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.606 2.362 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -7.909 3.487 7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -8.882 4.405 6.497 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.714 4.344 8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.407 3.871 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.395 5.449 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -7.674 7.132 8.311 1.00 0.00 H new ATOM 1029 N PRO A 145 -10.840 3.148 4.888 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.131 3.249 3.455 1.00 0.00 C ATOM 1031 C PRO A 145 -10.119 4.122 2.720 1.00 0.00 C ATOM 1032 O PRO A 145 -9.619 5.104 3.266 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.517 3.894 3.423 1.00 0.00 C ATOM 1034 CG PRO A 145 -12.600 4.674 4.689 1.00 0.00 C ATOM 1035 CD PRO A 145 -11.806 3.901 5.707 1.00 0.00 C ATOM 0 HA PRO A 145 -11.084 2.280 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -12.634 4.539 2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.303 3.141 3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.193 5.677 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -13.636 4.790 5.008 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.304 4.563 6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.442 3.236 6.291 1.00 0.00 H new ATOM 1043 N VAL A 146 -9.824 3.756 1.476 1.00 0.00 N ATOM 1044 CA VAL A 146 -8.873 4.508 0.665 1.00 0.00 C ATOM 1045 C VAL A 146 -9.595 5.438 -0.303 1.00 0.00 C ATOM 1046 O VAL A 146 -10.646 5.094 -0.844 1.00 0.00 O ATOM 1047 CB VAL A 146 -7.951 3.569 -0.134 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.253 2.587 0.795 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.739 2.831 -1.206 1.00 0.00 C ATOM 0 H VAL A 146 -10.229 2.945 1.009 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.268 5.100 1.352 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.188 4.172 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.606 1.932 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.654 3.136 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -7.999 1.988 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.070 2.172 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.525 2.239 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.187 3.552 -1.890 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.025 6.619 -0.517 1.00 0.00 N ATOM 1060 CA GLU A 147 -9.615 7.601 -1.419 1.00 0.00 C ATOM 1061 C GLU A 147 -8.635 7.989 -2.522 1.00 0.00 C ATOM 1062 O GLU A 147 -7.444 8.167 -2.273 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.043 8.846 -0.641 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.334 9.467 -1.148 1.00 0.00 C ATOM 1065 CD GLU A 147 -11.091 10.573 -2.158 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -9.920 10.787 -2.533 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.074 11.222 -2.573 1.00 0.00 O ATOM 0 H GLU A 147 -8.155 6.919 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 147 -10.492 7.149 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -10.164 8.583 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.247 9.589 -0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -11.951 8.693 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.896 9.867 -0.304 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.148 8.118 -3.741 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.319 8.486 -4.884 1.00 0.00 C ATOM 1076 C PHE A 148 -7.260 9.506 -4.479 1.00 0.00 C ATOM 1077 O PHE A 148 -7.582 10.580 -3.970 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.186 9.052 -6.006 1.00 0.00 C ATOM 1079 CG PHE A 148 -8.682 8.720 -7.381 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -7.318 8.602 -7.626 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.571 8.524 -8.432 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -6.849 8.296 -8.894 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.109 8.217 -9.703 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.747 8.103 -9.934 1.00 0.00 C ATOM 0 H PHE A 148 -10.133 7.973 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 148 -7.815 7.588 -5.242 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.201 8.669 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -9.241 10.135 -5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -6.616 8.751 -6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -10.633 8.612 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -5.787 8.208 -9.072 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -9.809 8.067 -10.511 1.00 0.00 H new ATOM 0 HZ PHE A 148 -7.385 7.864 -10.923 1.00 0.00 H new ATOM 1094 N ASP A 149 -5.997 9.163 -4.708 1.00 0.00 N ATOM 1095 CA ASP A 149 -4.891 10.050 -4.366 1.00 0.00 C ATOM 1096 C ASP A 149 -4.671 10.085 -2.857 1.00 0.00 C ATOM 1097 O ASP A 149 -4.629 11.155 -2.250 1.00 0.00 O ATOM 1098 CB ASP A 149 -5.163 11.463 -4.886 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.936 11.460 -6.191 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -5.300 11.316 -7.257 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -7.176 11.602 -6.148 1.00 0.00 O ATOM 0 H ASP A 149 -5.714 8.278 -5.129 1.00 0.00 H new ATOM 0 HA ASP A 149 -3.988 9.664 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -5.723 12.022 -4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -4.216 11.983 -5.029 1.00 0.00 H new ATOM 1106 N GLU A 150 -4.532 8.907 -2.259 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.317 8.801 -0.821 1.00 0.00 C ATOM 1108 C GLU A 150 -3.002 8.088 -0.520 1.00 0.00 C ATOM 1109 O GLU A 150 -2.862 6.892 -0.770 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.478 8.053 -0.163 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.554 8.970 0.396 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.110 8.476 1.717 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -6.439 7.653 2.375 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.218 8.912 2.095 1.00 0.00 O ATOM 0 H GLU A 150 -4.564 8.012 -2.748 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.266 9.810 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -5.928 7.382 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.088 7.431 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.141 9.970 0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -7.365 9.055 -0.327 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.020 8.821 0.024 1.00 0.00 N ATOM 1122 CA PRO A 151 -0.709 8.261 0.361 1.00 0.00 C ATOM 1123 C PRO A 151 -0.818 6.962 1.155 1.00 0.00 C ATOM 1124 O PRO A 151 -0.715 6.963 2.382 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.068 9.358 1.212 1.00 0.00 C ATOM 1126 CG PRO A 151 -0.704 10.619 0.740 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.112 10.255 0.352 1.00 0.00 C ATOM 0 HA PRO A 151 -0.135 8.000 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.252 9.194 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 151 1.013 9.384 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -0.699 11.376 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.161 11.036 -0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -2.812 10.436 1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.457 10.840 -0.500 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.025 5.858 0.446 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.147 4.552 1.082 1.00 0.00 C ATOM 1137 C LEU A 152 0.139 4.180 1.812 1.00 0.00 C ATOM 1138 O LEU A 152 0.107 3.744 2.963 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.481 3.482 0.041 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.829 3.656 -0.659 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.793 3.039 -2.049 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.943 3.038 0.172 1.00 0.00 C ATOM 0 H LEU A 152 -1.112 5.842 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.956 4.606 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.695 3.474 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.465 2.507 0.527 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.028 4.723 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.761 3.173 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.021 3.527 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.571 1.975 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.896 3.171 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.749 1.974 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.984 3.526 1.146 1.00 0.00 H new ATOM 1154 N VAL A 153 1.269 4.357 1.136 1.00 0.00 N ATOM 1155 CA VAL A 153 2.565 4.041 1.721 1.00 0.00 C ATOM 1156 C VAL A 153 3.672 4.874 1.085 1.00 0.00 C ATOM 1157 O VAL A 153 3.976 4.722 -0.098 1.00 0.00 O ATOM 1158 CB VAL A 153 2.906 2.548 1.560 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.978 2.134 2.556 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.657 1.695 1.725 1.00 0.00 C ATOM 0 H VAL A 153 1.313 4.718 0.183 1.00 0.00 H new ATOM 0 HA VAL A 153 2.498 4.278 2.783 1.00 0.00 H new ATOM 0 HB VAL A 153 3.297 2.390 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.205 1.076 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.880 2.722 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.618 2.307 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.917 0.643 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.235 1.856 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.923 1.974 0.969 1.00 0.00 H new ATOM 1170 N VAL A 154 4.272 5.755 1.880 1.00 0.00 N ATOM 1171 CA VAL A 154 5.346 6.613 1.396 1.00 0.00 C ATOM 1172 C VAL A 154 6.684 5.881 1.418 1.00 0.00 C ATOM 1173 O VAL A 154 7.102 5.364 2.454 1.00 0.00 O ATOM 1174 CB VAL A 154 5.455 7.898 2.240 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.076 8.488 2.494 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.173 7.620 3.552 1.00 0.00 C ATOM 0 H VAL A 154 4.032 5.893 2.862 1.00 0.00 H new ATOM 0 HA VAL A 154 5.103 6.883 0.368 1.00 0.00 H new ATOM 0 HB VAL A 154 6.041 8.627 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.173 9.395 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.603 8.729 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.463 7.763 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.239 8.540 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.618 6.872 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.177 7.248 3.346 1.00 0.00 H new ATOM 1186 N ILE A 155 7.351 5.840 0.269 1.00 0.00 N ATOM 1187 CA ILE A 155 8.642 5.170 0.160 1.00 0.00 C ATOM 1188 C ILE A 155 9.788 6.169 0.249 1.00 0.00 C ATOM 1189 O ILE A 155 9.675 7.304 -0.215 1.00 0.00 O ATOM 1190 CB ILE A 155 8.759 4.387 -1.163 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.374 3.963 -1.655 1.00 0.00 C ATOM 1192 CG2 ILE A 155 9.657 3.173 -0.983 1.00 0.00 C ATOM 1193 CD1 ILE A 155 6.714 4.986 -2.554 1.00 0.00 C ATOM 0 H ILE A 155 7.020 6.262 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 155 8.707 4.471 0.994 1.00 0.00 H new ATOM 0 HB ILE A 155 9.207 5.038 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 155 7.462 3.020 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE A 155 6.732 3.779 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 155 9.729 2.631 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.651 3.498 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.236 2.519 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 155 5.736 4.620 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.594 5.924 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.336 5.152 -3.434 1.00 0.00 H new ATOM 1205 N GLU A 156 10.895 5.741 0.849 1.00 0.00 N ATOM 1206 CA GLU A 156 12.064 6.600 0.999 1.00 0.00 C ATOM 1207 C GLU A 156 13.326 5.890 0.520 1.00 0.00 C ATOM 1208 O GLU A 156 14.217 6.574 -0.025 1.00 0.00 O ATOM 1209 CB GLU A 156 12.226 7.023 2.461 1.00 0.00 C ATOM 1210 CG GLU A 156 13.411 7.944 2.699 1.00 0.00 C ATOM 1211 CD GLU A 156 12.996 9.301 3.233 1.00 0.00 C ATOM 1212 OE1 GLU A 156 12.634 9.385 4.425 1.00 0.00 O ATOM 1213 OE2 GLU A 156 13.036 10.281 2.458 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.412 4.655 0.693 1.00 0.00 O ATOM 0 H GLU A 156 11.007 4.805 1.239 1.00 0.00 H new ATOM 0 HA GLU A 156 11.914 7.488 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 156 11.315 7.524 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 156 12.339 6.132 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.096 7.474 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 156 13.957 8.077 1.765 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -13.550 -10.856 1.559 1.00 0.00 C HETATM 1223 O11 BTN A 222 -14.633 -11.248 1.995 1.00 0.00 O HETATM 1224 C10 BTN A 222 -12.443 -11.868 1.347 1.00 0.00 C HETATM 1225 C9 BTN A 222 -11.809 -12.321 2.652 1.00 0.00 C HETATM 1226 C8 BTN A 222 -10.360 -11.873 2.753 1.00 0.00 C HETATM 1227 C7 BTN A 222 -10.230 -10.367 2.592 1.00 0.00 C HETATM 1228 C2 BTN A 222 -10.214 -9.607 3.925 1.00 0.00 C HETATM 1229 S1 BTN A 222 -10.708 -7.840 3.823 1.00 0.00 S HETATM 1230 C6 BTN A 222 -8.985 -7.334 3.411 1.00 0.00 C HETATM 1231 C5 BTN A 222 -8.067 -8.277 4.190 1.00 0.00 C HETATM 1232 N1 BTN A 222 -6.965 -8.778 3.375 1.00 0.00 N HETATM 1233 C3 BTN A 222 -6.954 -10.103 3.212 1.00 0.00 C HETATM 1234 O3 BTN A 222 -6.130 -10.754 2.570 1.00 0.00 O HETATM 1235 N2 BTN A 222 -8.001 -10.587 3.875 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.804 -9.570 4.544 1.00 0.00 C HETATM 0 H102 BTN A 222 -12.844 -12.735 0.822 1.00 0.00 H new HETATM 0 H101 BTN A 222 -11.676 -11.433 0.706 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -8.223 -11.582 3.912 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -6.261 -8.166 2.963 1.00 0.00 H new HETATM 0 H92 BTN A 222 -12.375 -11.918 3.492 1.00 0.00 H new HETATM 0 H91 BTN A 222 -11.861 -13.407 2.725 1.00 0.00 H new HETATM 0 H82 BTN A 222 -9.952 -12.173 3.718 1.00 0.00 H new HETATM 0 H81 BTN A 222 -9.769 -12.374 1.987 1.00 0.00 H new HETATM 0 H72 BTN A 222 -9.313 -10.146 2.046 1.00 0.00 H new HETATM 0 H71 BTN A 222 -11.058 -10.002 1.985 1.00 0.00 H new HETATM 0 H62 BTN A 222 -8.802 -7.410 2.339 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.806 -6.296 3.692 1.00 0.00 H new HETATM 0 H5 BTN A 222 -7.732 -7.692 5.046 1.00 0.00 H new HETATM 0 H4 BTN A 222 -8.919 -9.692 5.621 1.00 0.00 H new HETATM 0 H2 BTN A 222 -10.938 -10.165 4.519 1.00 0.00 H new