USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 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 39 GLN : amide:sc= -1.92 K(o=-1.8,f=-8.1!) USER MOD Set 1.2: A 95 TYR OH : rot 24:sc= 0.0875 USER MOD Set 2.1: A 71 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.525 K(o=-0.53,f=-1.9!) USER MOD Set 3.1: A 75 SER OG : rot 180:sc= 0.119 USER MOD Set 3.2: A 76 LYS NZ :NH3+ -104:sc=-0.00207 (180deg=0) USER MOD Set 4.1: A 13 GLN : amide:sc= -1.44! C(o=-2.7!,f=-6.3!) USER MOD Set 4.2: A 116 SER OG : rot 160:sc= -1.22 USER MOD Single : A 1 GLU N :NH3+ -137:sc= 0.105 (180deg=-0.366) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.175 F(o=-1.3,f=-0.17) USER MOD Single : A 7 SER OG : rot 180:sc= -0.839! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.889! USER MOD Single : A 25 SER OG : rot 180:sc= -0.518 USER MOD Single : A 28 THR OG1 : rot -28:sc= -2.31! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -93:sc= 0.947 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -165:sc= -10.2! (180deg=-11.9!) USER MOD Single : A 35 SER OG : rot -130:sc= -4.51! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -38:sc= 0.709 USER MOD Single : A 52 SER OG : rot 180:sc= -0.166 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0232 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.363 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.8) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.0158 F(o=-1,f=-0.016) USER MOD Single : A 78 THR OG1 : rot 54:sc= -1.83! USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -108:sc= -24.4! (180deg=-28.4!) USER MOD Single : A 84 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.5) USER MOD Single : A 85 SER OG : rot 180:sc= -0.01 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -5:sc= -5.87! USER MOD Single : A 100 LYS NZ :NH3+ -131:sc= -0.428 (180deg=-2.21!) USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -0.0488 (180deg=-0.349) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -0.893 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.0693 F(o=-1.5,f=-0.069) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.239 13.390 -14.220 1.00 0.00 N ATOM 2 CA GLU A 1 -14.160 12.607 -12.954 1.00 0.00 C ATOM 3 C GLU A 1 -12.945 11.680 -13.000 1.00 0.00 C ATOM 4 O GLU A 1 -12.119 11.765 -13.888 1.00 0.00 O ATOM 5 CB GLU A 1 -15.431 11.770 -12.792 1.00 0.00 C ATOM 6 CG GLU A 1 -16.649 12.695 -12.746 1.00 0.00 C ATOM 7 CD GLU A 1 -17.514 12.462 -13.985 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.854 11.318 -14.240 1.00 0.00 O ATOM 9 OE2 GLU A 1 -17.823 13.432 -14.659 1.00 0.00 O ATOM 0 H1 GLU A 1 -14.472 14.380 -14.002 1.00 0.00 H new ATOM 0 H2 GLU A 1 -13.323 13.350 -14.711 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.977 12.987 -14.832 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.063 13.291 -12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.525 11.068 -13.621 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.376 11.178 -11.878 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.229 12.505 -11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.327 13.736 -12.705 1.00 0.00 H new ATOM 10 N VAL A 2 -12.828 10.794 -12.051 1.00 0.00 N ATOM 11 CA VAL A 2 -11.665 9.864 -12.043 1.00 0.00 C ATOM 12 C VAL A 2 -12.161 8.429 -12.280 1.00 0.00 C ATOM 13 O VAL A 2 -13.208 8.038 -11.803 1.00 0.00 O ATOM 14 CB VAL A 2 -10.936 9.968 -10.687 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.579 9.029 -9.661 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.464 9.582 -10.869 1.00 0.00 C ATOM 0 H VAL A 2 -13.487 10.674 -11.281 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.968 10.131 -12.837 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.011 10.994 -10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.053 9.114 -8.710 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.625 9.302 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.517 8.001 -10.019 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.948 9.655 -9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.399 8.559 -11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.997 10.257 -11.586 1.00 0.00 H new ATOM 17 N GLN A 3 -11.409 7.639 -12.996 1.00 0.00 N ATOM 18 CA GLN A 3 -11.820 6.226 -13.247 1.00 0.00 C ATOM 19 C GLN A 3 -10.687 5.341 -12.755 1.00 0.00 C ATOM 20 O GLN A 3 -9.555 5.774 -12.730 1.00 0.00 O ATOM 21 CB GLN A 3 -12.033 6.013 -14.744 1.00 0.00 C ATOM 22 CG GLN A 3 -13.386 6.592 -15.157 1.00 0.00 C ATOM 23 CD GLN A 3 -13.204 7.493 -16.380 1.00 0.00 C ATOM 24 OE1 GLN A 3 -12.477 8.572 -16.277 1.00 0.00 O flip ATOM 25 NE2 GLN A 3 -13.729 7.212 -17.439 1.00 0.00 N flip ATOM 0 H GLN A 3 -10.523 7.912 -13.421 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.751 5.989 -12.731 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.233 6.494 -15.307 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.994 4.949 -14.979 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.084 5.786 -15.386 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.816 7.162 -14.333 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -14.297 6.369 -17.519 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.602 7.820 -18.248 1.00 0.00 H new ATOM 26 N LEU A 4 -10.942 4.129 -12.329 1.00 0.00 N ATOM 27 CA LEU A 4 -9.793 3.324 -11.821 1.00 0.00 C ATOM 28 C LEU A 4 -10.231 2.050 -11.097 1.00 0.00 C ATOM 29 O LEU A 4 -11.401 1.781 -10.918 1.00 0.00 O ATOM 30 CB LEU A 4 -9.020 4.173 -10.812 1.00 0.00 C ATOM 31 CG LEU A 4 -9.987 5.114 -10.071 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.961 4.816 -8.575 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.574 6.563 -10.323 1.00 0.00 C ATOM 0 H LEU A 4 -11.857 3.678 -12.310 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.193 3.039 -12.685 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.507 3.528 -10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.253 4.755 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.000 4.957 -10.441 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.648 5.486 -8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.265 3.783 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.952 4.965 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.257 7.232 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.559 6.721 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.611 6.771 -11.392 1.00 0.00 H new ATOM 34 N VAL A 5 -9.255 1.289 -10.646 1.00 0.00 N ATOM 35 CA VAL A 5 -9.537 0.033 -9.879 1.00 0.00 C ATOM 36 C VAL A 5 -8.278 -0.852 -9.817 1.00 0.00 C ATOM 37 O VAL A 5 -7.873 -1.446 -10.796 1.00 0.00 O ATOM 38 CB VAL A 5 -10.690 -0.751 -10.519 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.437 -0.975 -12.009 1.00 0.00 C ATOM 40 CG2 VAL A 5 -10.828 -2.104 -9.819 1.00 0.00 C ATOM 0 H VAL A 5 -8.264 1.490 -10.780 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.826 0.315 -8.867 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.608 -0.174 -10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.269 -1.533 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -10.347 -0.012 -12.512 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.514 -1.540 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.646 -2.665 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.900 -2.666 -9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.036 -1.947 -8.761 1.00 0.00 H new ATOM 41 N GLU A 6 -7.665 -0.946 -8.657 1.00 0.00 N ATOM 42 CA GLU A 6 -6.439 -1.797 -8.498 1.00 0.00 C ATOM 43 C GLU A 6 -6.614 -3.102 -9.285 1.00 0.00 C ATOM 44 O GLU A 6 -7.710 -3.450 -9.677 1.00 0.00 O ATOM 45 CB GLU A 6 -6.260 -2.136 -7.017 1.00 0.00 C ATOM 46 CG GLU A 6 -7.558 -2.737 -6.473 1.00 0.00 C ATOM 47 CD GLU A 6 -8.425 -1.626 -5.877 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.110 -1.173 -4.789 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.391 -1.246 -6.518 1.00 0.00 O ATOM 0 H GLU A 6 -7.964 -0.466 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.569 -1.257 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.439 -2.841 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.999 -1.239 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.098 -3.246 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.334 -3.485 -5.713 1.00 0.00 H new ATOM 50 N SER A 7 -5.557 -3.841 -9.513 1.00 0.00 N ATOM 51 CA SER A 7 -5.712 -5.118 -10.267 1.00 0.00 C ATOM 52 C SER A 7 -4.344 -5.632 -10.718 1.00 0.00 C ATOM 53 O SER A 7 -3.330 -4.993 -10.515 1.00 0.00 O ATOM 54 CB SER A 7 -6.590 -4.876 -11.496 1.00 0.00 C ATOM 55 OG SER A 7 -6.293 -5.852 -12.486 1.00 0.00 O ATOM 0 H SER A 7 -4.608 -3.618 -9.214 1.00 0.00 H new ATOM 0 HA SER A 7 -6.177 -5.861 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.643 -4.930 -11.221 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.414 -3.875 -11.891 1.00 0.00 H new ATOM 0 HG SER A 7 -6.855 -5.700 -13.274 1.00 0.00 H new ATOM 56 N GLY A 8 -4.312 -6.783 -11.331 1.00 0.00 N ATOM 57 CA GLY A 8 -3.015 -7.344 -11.799 1.00 0.00 C ATOM 58 C GLY A 8 -2.878 -8.784 -11.306 1.00 0.00 C ATOM 59 O GLY A 8 -3.301 -9.716 -11.960 1.00 0.00 O ATOM 0 H GLY A 8 -5.130 -7.360 -11.528 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.965 -7.314 -12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.189 -6.740 -11.425 1.00 0.00 H new ATOM 60 N GLY A 9 -2.290 -8.973 -10.158 1.00 0.00 N ATOM 61 CA GLY A 9 -2.128 -10.354 -9.627 1.00 0.00 C ATOM 62 C GLY A 9 -0.757 -10.895 -10.038 1.00 0.00 C ATOM 63 O GLY A 9 -0.485 -11.100 -11.204 1.00 0.00 O ATOM 0 H GLY A 9 -1.915 -8.232 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.220 -10.352 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.917 -10.999 -10.013 1.00 0.00 H new ATOM 64 N GLY A 10 0.107 -11.122 -9.091 1.00 0.00 N ATOM 65 CA GLY A 10 1.461 -11.644 -9.427 1.00 0.00 C ATOM 66 C GLY A 10 2.001 -12.449 -8.242 1.00 0.00 C ATOM 67 O GLY A 10 1.429 -12.450 -7.170 1.00 0.00 O ATOM 0 H GLY A 10 -0.065 -10.969 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.411 -12.273 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.135 -10.819 -9.658 1.00 0.00 H new ATOM 68 N LEU A 11 3.103 -13.123 -8.422 1.00 0.00 N ATOM 69 CA LEU A 11 3.682 -13.914 -7.300 1.00 0.00 C ATOM 70 C LEU A 11 4.963 -13.231 -6.820 1.00 0.00 C ATOM 71 O LEU A 11 5.605 -12.513 -7.562 1.00 0.00 O ATOM 72 CB LEU A 11 4.003 -15.328 -7.786 1.00 0.00 C ATOM 73 CG LEU A 11 2.793 -15.898 -8.527 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.249 -17.020 -9.461 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.791 -16.455 -7.513 1.00 0.00 C ATOM 0 H LEU A 11 3.627 -13.160 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 11 2.967 -13.971 -6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.871 -15.309 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.259 -15.966 -6.940 1.00 0.00 H new ATOM 0 HG LEU A 11 2.320 -15.109 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.387 -17.427 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.964 -16.625 -10.183 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.722 -17.810 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.928 -16.862 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.265 -17.244 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.466 -15.656 -6.846 1.00 0.00 H new ATOM 76 N VAL A 12 5.345 -13.436 -5.587 1.00 0.00 N ATOM 77 CA VAL A 12 6.585 -12.779 -5.087 1.00 0.00 C ATOM 78 C VAL A 12 7.250 -13.631 -4.008 1.00 0.00 C ATOM 79 O VAL A 12 7.351 -13.229 -2.866 1.00 0.00 O ATOM 80 CB VAL A 12 6.260 -11.403 -4.501 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.240 -10.360 -5.619 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.897 -11.435 -3.797 1.00 0.00 C ATOM 0 H VAL A 12 4.857 -14.024 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 12 7.267 -12.667 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 12 7.026 -11.139 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.008 -9.381 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.216 -10.326 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.481 -10.629 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.677 -10.450 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.123 -11.709 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.921 -12.169 -2.991 1.00 0.00 H new ATOM 83 N GLN A 13 7.738 -14.784 -4.362 1.00 0.00 N ATOM 84 CA GLN A 13 8.441 -15.633 -3.348 1.00 0.00 C ATOM 85 C GLN A 13 9.556 -14.765 -2.744 1.00 0.00 C ATOM 86 O GLN A 13 9.633 -13.595 -3.060 1.00 0.00 O ATOM 87 CB GLN A 13 9.050 -16.884 -4.016 1.00 0.00 C ATOM 88 CG GLN A 13 8.364 -17.192 -5.350 1.00 0.00 C ATOM 89 CD GLN A 13 9.094 -16.462 -6.480 1.00 0.00 C ATOM 90 OE1 GLN A 13 9.842 -15.536 -6.234 1.00 0.00 O ATOM 91 NE2 GLN A 13 8.913 -16.842 -7.715 1.00 0.00 N ATOM 0 H GLN A 13 7.684 -15.179 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 13 7.746 -15.976 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.116 -16.728 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.952 -17.740 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.369 -18.266 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.320 -16.879 -5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.286 -17.619 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.399 -16.362 -8.473 1.00 0.00 H new ATOM 92 N PRO A 14 10.409 -15.326 -1.918 1.00 0.00 N ATOM 93 CA PRO A 14 11.505 -14.540 -1.332 1.00 0.00 C ATOM 94 C PRO A 14 12.496 -14.157 -2.427 1.00 0.00 C ATOM 95 O PRO A 14 13.203 -14.985 -2.967 1.00 0.00 O ATOM 96 CB PRO A 14 12.110 -15.470 -0.273 1.00 0.00 C ATOM 97 CG PRO A 14 11.678 -16.899 -0.660 1.00 0.00 C ATOM 98 CD PRO A 14 10.395 -16.748 -1.502 1.00 0.00 C ATOM 0 HA PRO A 14 11.189 -13.599 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.196 -15.383 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.752 -15.211 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.460 -17.401 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.492 -17.503 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.401 -17.416 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.505 -16.986 -0.920 1.00 0.00 H new ATOM 99 N GLY A 15 12.510 -12.903 -2.786 1.00 0.00 N ATOM 100 CA GLY A 15 13.404 -12.446 -3.881 1.00 0.00 C ATOM 101 C GLY A 15 12.616 -12.569 -5.181 1.00 0.00 C ATOM 102 O GLY A 15 13.165 -12.749 -6.251 1.00 0.00 O ATOM 0 H GLY A 15 11.936 -12.173 -2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.719 -11.415 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.308 -13.053 -3.919 1.00 0.00 H new ATOM 103 N GLY A 16 11.316 -12.497 -5.077 1.00 0.00 N ATOM 104 CA GLY A 16 10.448 -12.633 -6.276 1.00 0.00 C ATOM 105 C GLY A 16 10.264 -11.282 -6.967 1.00 0.00 C ATOM 106 O GLY A 16 11.215 -10.624 -7.341 1.00 0.00 O ATOM 0 H GLY A 16 10.816 -12.348 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.890 -13.346 -6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.477 -13.033 -5.984 1.00 0.00 H new ATOM 107 N SER A 17 9.035 -10.883 -7.149 1.00 0.00 N ATOM 108 CA SER A 17 8.734 -9.595 -7.831 1.00 0.00 C ATOM 109 C SER A 17 7.316 -9.691 -8.385 1.00 0.00 C ATOM 110 O SER A 17 7.019 -10.552 -9.189 1.00 0.00 O ATOM 111 CB SER A 17 9.714 -9.374 -8.985 1.00 0.00 C ATOM 112 OG SER A 17 9.174 -8.414 -9.882 1.00 0.00 O ATOM 0 H SER A 17 8.213 -11.406 -6.848 1.00 0.00 H new ATOM 0 HA SER A 17 8.826 -8.764 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.674 -9.030 -8.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.897 -10.313 -9.507 1.00 0.00 H new ATOM 0 HG SER A 17 9.800 -8.269 -10.622 1.00 0.00 H new ATOM 113 N LEU A 18 6.426 -8.844 -7.956 1.00 0.00 N ATOM 114 CA LEU A 18 5.032 -8.940 -8.463 1.00 0.00 C ATOM 115 C LEU A 18 4.767 -7.876 -9.511 1.00 0.00 C ATOM 116 O LEU A 18 5.509 -6.926 -9.660 1.00 0.00 O ATOM 117 CB LEU A 18 4.049 -8.736 -7.321 1.00 0.00 C ATOM 118 CG LEU A 18 3.081 -9.911 -7.288 1.00 0.00 C ATOM 119 CD1 LEU A 18 3.170 -10.603 -5.929 1.00 0.00 C ATOM 120 CD2 LEU A 18 1.656 -9.404 -7.519 1.00 0.00 C ATOM 0 H LEU A 18 6.600 -8.097 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 18 4.904 -9.929 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.582 -8.660 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.504 -7.802 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 18 3.341 -10.622 -8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.478 -11.445 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.186 -10.964 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.910 -9.895 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.962 -10.245 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.391 -8.693 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.598 -8.912 -8.490 1.00 0.00 H new ATOM 121 N ARG A 19 3.689 -8.025 -10.222 1.00 0.00 N ATOM 122 CA ARG A 19 3.330 -7.029 -11.255 1.00 0.00 C ATOM 123 C ARG A 19 1.832 -6.743 -11.156 1.00 0.00 C ATOM 124 O ARG A 19 1.020 -7.413 -11.762 1.00 0.00 O ATOM 125 CB ARG A 19 3.665 -7.589 -12.634 1.00 0.00 C ATOM 126 CG ARG A 19 3.157 -6.630 -13.713 1.00 0.00 C ATOM 127 CD ARG A 19 3.895 -6.899 -15.026 1.00 0.00 C ATOM 128 NE ARG A 19 3.925 -8.366 -15.285 1.00 0.00 N ATOM 129 CZ ARG A 19 2.966 -8.926 -15.970 1.00 0.00 C ATOM 130 NH1 ARG A 19 2.959 -8.842 -17.273 1.00 0.00 N ATOM 131 NH2 ARG A 19 2.013 -9.568 -15.354 1.00 0.00 N ATOM 0 H ARG A 19 3.036 -8.803 -10.128 1.00 0.00 H new ATOM 0 HA ARG A 19 3.890 -6.106 -11.103 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.742 -7.724 -12.731 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.208 -8.570 -12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.084 -6.760 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.315 -5.598 -13.400 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.398 -6.384 -15.848 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.911 -6.507 -14.972 1.00 0.00 H new ATOM 0 HE ARG A 19 4.694 -8.932 -14.927 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.703 -8.339 -17.756 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.209 -9.280 -17.808 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.017 -9.633 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.264 -10.006 -15.890 1.00 0.00 H new ATOM 132 N LEU A 20 1.462 -5.757 -10.388 1.00 0.00 N ATOM 133 CA LEU A 20 0.012 -5.430 -10.236 1.00 0.00 C ATOM 134 C LEU A 20 -0.262 -4.080 -10.896 1.00 0.00 C ATOM 135 O LEU A 20 0.388 -3.725 -11.858 1.00 0.00 O ATOM 136 CB LEU A 20 -0.339 -5.390 -8.750 1.00 0.00 C ATOM 137 CG LEU A 20 0.408 -6.512 -8.033 1.00 0.00 C ATOM 138 CD1 LEU A 20 1.849 -6.079 -7.771 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.284 -6.818 -6.706 1.00 0.00 C ATOM 0 H LEU A 20 2.099 -5.162 -9.858 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.604 -6.189 -10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.066 -4.424 -8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.414 -5.506 -8.614 1.00 0.00 H new ATOM 0 HG LEU A 20 0.407 -7.406 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.382 -6.880 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.342 -5.863 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.853 -5.185 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.249 -7.619 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.284 -5.925 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.312 -7.129 -6.895 1.00 0.00 H new ATOM 140 N SER A 21 -1.211 -3.318 -10.416 1.00 0.00 N ATOM 141 CA SER A 21 -1.471 -2.013 -11.081 1.00 0.00 C ATOM 142 C SER A 21 -2.742 -1.326 -10.567 1.00 0.00 C ATOM 143 O SER A 21 -3.563 -1.907 -9.885 1.00 0.00 O ATOM 144 CB SER A 21 -1.635 -2.264 -12.572 1.00 0.00 C ATOM 145 OG SER A 21 -2.060 -3.605 -12.783 1.00 0.00 O ATOM 0 H SER A 21 -1.802 -3.537 -9.614 1.00 0.00 H new ATOM 0 HA SER A 21 -0.629 -1.356 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.364 -1.570 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.692 -2.085 -13.088 1.00 0.00 H new ATOM 0 HG SER A 21 -2.167 -3.767 -13.744 1.00 0.00 H new ATOM 146 N CYS A 22 -2.897 -0.080 -10.943 1.00 0.00 N ATOM 147 CA CYS A 22 -4.094 0.718 -10.562 1.00 0.00 C ATOM 148 C CYS A 22 -4.853 1.040 -11.842 1.00 0.00 C ATOM 149 O CYS A 22 -4.318 1.668 -12.737 1.00 0.00 O ATOM 150 CB CYS A 22 -3.651 2.035 -9.934 1.00 0.00 C ATOM 151 SG CYS A 22 -3.324 1.796 -8.180 1.00 0.00 S ATOM 0 H CYS A 22 -2.221 0.427 -11.515 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.710 0.162 -9.855 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.755 2.403 -10.433 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.424 2.791 -10.069 1.00 0.00 H new ATOM 152 N ALA A 23 -6.081 0.634 -11.960 1.00 0.00 N ATOM 153 CA ALA A 23 -6.822 0.954 -13.204 1.00 0.00 C ATOM 154 C ALA A 23 -7.061 2.457 -13.254 1.00 0.00 C ATOM 155 O ALA A 23 -7.074 3.121 -12.235 1.00 0.00 O ATOM 156 CB ALA A 23 -8.160 0.236 -13.200 1.00 0.00 C ATOM 0 H ALA A 23 -6.598 0.102 -11.260 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.245 0.634 -14.071 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.703 0.473 -14.115 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.995 -0.840 -13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.744 0.559 -12.338 1.00 0.00 H new ATOM 157 N ALA A 24 -7.269 2.996 -14.422 1.00 0.00 N ATOM 158 CA ALA A 24 -7.519 4.457 -14.540 1.00 0.00 C ATOM 159 C ALA A 24 -7.806 4.806 -16.002 1.00 0.00 C ATOM 160 O ALA A 24 -7.320 4.155 -16.918 1.00 0.00 O ATOM 161 CB ALA A 24 -6.297 5.221 -14.045 1.00 0.00 C ATOM 0 H ALA A 24 -7.276 2.484 -15.304 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.380 4.736 -13.933 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.478 6.292 -14.131 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.107 4.967 -13.002 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.430 4.950 -14.648 1.00 0.00 H new ATOM 162 N SER A 25 -8.619 5.806 -16.232 1.00 0.00 N ATOM 163 CA SER A 25 -8.966 6.155 -17.637 1.00 0.00 C ATOM 164 C SER A 25 -8.802 7.658 -17.916 1.00 0.00 C ATOM 165 O SER A 25 -7.725 8.128 -18.220 1.00 0.00 O ATOM 166 CB SER A 25 -10.418 5.744 -17.877 1.00 0.00 C ATOM 167 OG SER A 25 -10.896 6.365 -19.062 1.00 0.00 O ATOM 0 H SER A 25 -9.052 6.388 -15.515 1.00 0.00 H new ATOM 0 HA SER A 25 -8.288 5.629 -18.309 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.490 4.660 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.035 6.035 -17.027 1.00 0.00 H new ATOM 0 HG SER A 25 -11.827 6.101 -19.217 1.00 0.00 H new ATOM 168 N GLY A 26 -9.876 8.406 -17.859 1.00 0.00 N ATOM 169 CA GLY A 26 -9.808 9.865 -18.164 1.00 0.00 C ATOM 170 C GLY A 26 -8.724 10.566 -17.340 1.00 0.00 C ATOM 171 O GLY A 26 -7.943 11.339 -17.860 1.00 0.00 O ATOM 0 H GLY A 26 -10.804 8.063 -17.612 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.606 10.006 -19.226 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.775 10.325 -17.960 1.00 0.00 H new ATOM 172 N PHE A 27 -8.686 10.338 -16.059 1.00 0.00 N ATOM 173 CA PHE A 27 -7.671 11.030 -15.214 1.00 0.00 C ATOM 174 C PHE A 27 -6.275 10.411 -15.420 1.00 0.00 C ATOM 175 O PHE A 27 -5.290 10.952 -14.972 1.00 0.00 O ATOM 176 CB PHE A 27 -8.102 10.928 -13.732 1.00 0.00 C ATOM 177 CG PHE A 27 -7.180 10.001 -12.970 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.922 10.455 -12.569 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.569 8.689 -12.693 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.052 9.605 -11.898 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.703 7.836 -12.008 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.442 8.289 -11.612 1.00 0.00 C ATOM 0 H PHE A 27 -9.311 9.705 -15.560 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.611 12.079 -15.504 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.089 11.918 -13.275 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.127 10.561 -13.670 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.624 11.471 -12.781 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.539 8.335 -13.009 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.076 9.957 -11.597 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.008 6.824 -11.784 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.769 7.627 -11.087 1.00 0.00 H new ATOM 183 N THR A 28 -6.190 9.277 -16.060 1.00 0.00 N ATOM 184 CA THR A 28 -4.863 8.613 -16.255 1.00 0.00 C ATOM 185 C THR A 28 -4.311 8.193 -14.884 1.00 0.00 C ATOM 186 O THR A 28 -4.990 7.530 -14.126 1.00 0.00 O ATOM 187 CB THR A 28 -3.879 9.539 -16.993 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.421 10.567 -16.128 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.580 10.164 -18.200 1.00 0.00 C ATOM 0 H THR A 28 -6.984 8.777 -16.459 1.00 0.00 H new ATOM 0 HA THR A 28 -4.991 7.728 -16.878 1.00 0.00 H new ATOM 0 HB THR A 28 -3.023 8.952 -17.324 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.103 10.751 -15.448 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.886 10.820 -18.725 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.915 9.376 -18.875 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.440 10.742 -17.862 1.00 0.00 H new ATOM 190 N PHE A 29 -3.091 8.526 -14.555 1.00 0.00 N ATOM 191 CA PHE A 29 -2.546 8.077 -13.237 1.00 0.00 C ATOM 192 C PHE A 29 -1.468 9.047 -12.763 1.00 0.00 C ATOM 193 O PHE A 29 -1.409 9.423 -11.609 1.00 0.00 O ATOM 194 CB PHE A 29 -1.920 6.694 -13.408 1.00 0.00 C ATOM 195 CG PHE A 29 -2.518 6.053 -14.628 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.134 6.474 -15.911 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.493 5.075 -14.475 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.735 5.903 -17.031 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.083 4.505 -15.592 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.707 4.922 -16.869 1.00 0.00 C ATOM 0 H PHE A 29 -2.456 9.080 -15.130 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.353 8.044 -12.505 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.838 6.777 -13.514 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.107 6.081 -12.526 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.378 7.236 -16.029 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.791 4.759 -13.486 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.447 6.221 -18.022 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.834 3.738 -15.474 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.174 4.480 -17.737 1.00 0.00 H new ATOM 201 N SER A 30 -0.613 9.445 -13.657 1.00 0.00 N ATOM 202 CA SER A 30 0.479 10.388 -13.289 1.00 0.00 C ATOM 203 C SER A 30 0.020 11.808 -13.596 1.00 0.00 C ATOM 204 O SER A 30 0.432 12.759 -12.961 1.00 0.00 O ATOM 205 CB SER A 30 1.731 10.065 -14.107 1.00 0.00 C ATOM 206 OG SER A 30 1.755 10.876 -15.273 1.00 0.00 O ATOM 0 H SER A 30 -0.622 9.157 -14.635 1.00 0.00 H new ATOM 0 HA SER A 30 0.712 10.294 -12.228 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.625 10.242 -13.509 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.736 9.011 -14.384 1.00 0.00 H new ATOM 0 HG SER A 30 2.557 10.672 -15.797 1.00 0.00 H new ATOM 207 N SER A 31 -0.842 11.958 -14.562 1.00 0.00 N ATOM 208 CA SER A 31 -1.339 13.317 -14.901 1.00 0.00 C ATOM 209 C SER A 31 -1.830 13.991 -13.620 1.00 0.00 C ATOM 210 O SER A 31 -1.626 15.171 -13.412 1.00 0.00 O ATOM 211 CB SER A 31 -2.490 13.206 -15.898 1.00 0.00 C ATOM 212 OG SER A 31 -3.047 14.495 -16.120 1.00 0.00 O ATOM 0 H SER A 31 -1.222 11.200 -15.129 1.00 0.00 H new ATOM 0 HA SER A 31 -0.539 13.907 -15.347 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.133 12.785 -16.838 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.253 12.529 -15.515 1.00 0.00 H new ATOM 0 HG SER A 31 -3.800 14.636 -15.509 1.00 0.00 H new ATOM 213 N TYR A 32 -2.472 13.251 -12.756 1.00 0.00 N ATOM 214 CA TYR A 32 -2.969 13.854 -11.489 1.00 0.00 C ATOM 215 C TYR A 32 -2.454 13.034 -10.305 1.00 0.00 C ATOM 216 O TYR A 32 -3.135 12.857 -9.316 1.00 0.00 O ATOM 217 CB TYR A 32 -4.497 13.861 -11.485 1.00 0.00 C ATOM 218 CG TYR A 32 -5.006 14.173 -12.871 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.832 13.247 -13.904 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.654 15.388 -13.121 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.306 13.535 -15.190 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.128 15.678 -14.405 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.955 14.751 -15.440 1.00 0.00 C ATOM 224 OH TYR A 32 -6.422 15.036 -16.706 1.00 0.00 O ATOM 0 H TYR A 32 -2.673 12.258 -12.874 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.608 14.879 -11.408 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.874 12.892 -11.158 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.865 14.602 -10.776 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.332 12.310 -13.710 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.788 16.102 -12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.171 12.820 -15.988 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.627 16.616 -14.598 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.847 15.919 -16.707 1.00 0.00 H new ATOM 225 N ALA A 33 -1.250 12.534 -10.401 1.00 0.00 N ATOM 226 CA ALA A 33 -0.681 11.727 -9.285 1.00 0.00 C ATOM 227 C ALA A 33 -1.640 10.591 -8.922 1.00 0.00 C ATOM 228 O ALA A 33 -2.770 10.551 -9.364 1.00 0.00 O ATOM 229 CB ALA A 33 -0.467 12.622 -8.063 1.00 0.00 C ATOM 0 H ALA A 33 -0.636 12.651 -11.207 1.00 0.00 H new ATOM 0 HA ALA A 33 0.273 11.305 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.051 12.031 -7.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.224 13.426 -8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.421 13.048 -7.752 1.00 0.00 H new ATOM 230 N MET A 34 -1.190 9.664 -8.121 1.00 0.00 N ATOM 231 CA MET A 34 -2.055 8.525 -7.721 1.00 0.00 C ATOM 232 C MET A 34 -1.239 7.618 -6.811 1.00 0.00 C ATOM 233 O MET A 34 -0.174 7.158 -7.169 1.00 0.00 O ATOM 234 CB MET A 34 -2.500 7.766 -8.972 1.00 0.00 C ATOM 235 CG MET A 34 -3.638 6.795 -8.637 1.00 0.00 C ATOM 236 SD MET A 34 -3.009 5.392 -7.674 1.00 0.00 S ATOM 237 CE MET A 34 -1.739 4.807 -8.824 1.00 0.00 C ATOM 0 H MET A 34 -0.250 9.650 -7.724 1.00 0.00 H new ATOM 0 HA MET A 34 -2.944 8.874 -7.195 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.829 8.472 -9.734 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.657 7.216 -9.390 1.00 0.00 H new ATOM 0 HG2 MET A 34 -4.413 7.314 -8.072 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.100 6.435 -9.556 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.424 3.803 -8.538 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.146 4.785 -9.835 1.00 0.00 H new ATOM 0 HE3 MET A 34 -0.882 5.479 -8.792 1.00 0.00 H new ATOM 238 N SER A 35 -1.722 7.357 -5.635 1.00 0.00 N ATOM 239 CA SER A 35 -0.960 6.487 -4.705 1.00 0.00 C ATOM 240 C SER A 35 -1.677 5.168 -4.618 1.00 0.00 C ATOM 241 O SER A 35 -2.818 5.075 -5.016 1.00 0.00 O ATOM 242 CB SER A 35 -0.929 7.123 -3.331 1.00 0.00 C ATOM 243 OG SER A 35 -0.010 8.209 -3.328 1.00 0.00 O ATOM 0 H SER A 35 -2.610 7.707 -5.277 1.00 0.00 H new ATOM 0 HA SER A 35 0.061 6.351 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.924 7.475 -3.060 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.637 6.385 -2.584 1.00 0.00 H new ATOM 0 HG SER A 35 0.596 8.123 -2.563 1.00 0.00 H new ATOM 244 N TRP A 36 -1.076 4.117 -4.133 1.00 0.00 N ATOM 245 CA TRP A 36 -1.887 2.893 -4.136 1.00 0.00 C ATOM 246 C TRP A 36 -1.263 1.692 -3.413 1.00 0.00 C ATOM 247 O TRP A 36 -0.049 1.585 -3.206 1.00 0.00 O ATOM 248 CB TRP A 36 -2.199 2.597 -5.600 1.00 0.00 C ATOM 249 CG TRP A 36 -1.238 1.653 -6.195 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.050 1.984 -6.741 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.406 0.225 -6.372 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.520 0.848 -7.252 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.273 -0.278 -7.036 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.426 -0.676 -6.007 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.161 -1.643 -7.337 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.312 -2.035 -6.299 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.185 -2.520 -6.962 1.00 0.00 C ATOM 0 H TRP A 36 -0.128 4.058 -3.762 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.792 3.065 -3.553 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.205 2.186 -5.679 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.189 3.528 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.379 2.975 -6.770 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.419 0.828 -7.734 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.305 -0.311 -5.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.710 -2.015 -7.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.100 -2.715 -6.010 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.102 -3.573 -7.186 1.00 0.00 H new ATOM 258 N VAL A 37 -2.169 0.809 -3.030 1.00 0.00 N ATOM 259 CA VAL A 37 -1.874 -0.455 -2.291 1.00 0.00 C ATOM 260 C VAL A 37 -2.424 -0.306 -0.850 1.00 0.00 C ATOM 261 O VAL A 37 -3.191 0.589 -0.627 1.00 0.00 O ATOM 262 CB VAL A 37 -0.375 -0.775 -2.325 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.137 -2.126 -1.685 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.097 -0.854 -3.770 1.00 0.00 C ATOM 0 H VAL A 37 -3.164 0.934 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.365 -1.303 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 37 0.166 0.005 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.928 -2.357 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.482 -2.105 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.686 -2.891 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.163 -1.082 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.453 -1.639 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.081 0.102 -4.264 1.00 0.00 H new ATOM 265 N ARG A 38 -2.071 -1.177 0.100 1.00 0.00 N ATOM 266 CA ARG A 38 -2.566 -1.089 1.520 1.00 0.00 C ATOM 267 C ARG A 38 -3.587 -2.184 1.881 1.00 0.00 C ATOM 268 O ARG A 38 -4.783 -1.983 1.813 1.00 0.00 O ATOM 269 CB ARG A 38 -3.157 0.285 1.870 1.00 0.00 C ATOM 270 CG ARG A 38 -2.018 1.277 2.119 1.00 0.00 C ATOM 271 CD ARG A 38 -1.745 2.096 0.858 1.00 0.00 C ATOM 272 NE ARG A 38 -1.047 3.356 1.238 1.00 0.00 N ATOM 273 CZ ARG A 38 -0.881 4.304 0.357 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.797 4.521 -0.546 1.00 0.00 N ATOM 275 NH2 ARG A 38 0.199 5.035 0.382 1.00 0.00 N ATOM 0 H ARG A 38 -1.442 -1.962 -0.068 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.669 -1.245 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.791 0.639 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.787 0.208 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.278 1.941 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.117 0.740 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.133 1.522 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.681 2.324 0.347 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.698 3.478 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.642 3.950 -0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.668 5.262 -1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.913 4.865 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.329 5.776 -0.307 1.00 0.00 H new ATOM 276 N GLN A 39 -3.106 -3.319 2.342 1.00 0.00 N ATOM 277 CA GLN A 39 -4.009 -4.414 2.804 1.00 0.00 C ATOM 278 C GLN A 39 -3.202 -5.710 2.928 1.00 0.00 C ATOM 279 O GLN A 39 -2.045 -5.753 2.563 1.00 0.00 O ATOM 280 CB GLN A 39 -5.169 -4.577 1.839 1.00 0.00 C ATOM 281 CG GLN A 39 -6.439 -4.054 2.521 1.00 0.00 C ATOM 282 CD GLN A 39 -7.321 -5.233 2.940 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.540 -6.150 2.173 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.841 -5.247 4.137 1.00 0.00 N ATOM 0 H GLN A 39 -2.111 -3.530 2.416 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.424 -4.166 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.978 -4.026 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.290 -5.625 1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.175 -3.456 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.986 -3.401 1.841 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.658 -4.478 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.430 -6.027 4.428 1.00 0.00 H new ATOM 285 N ALA A 40 -3.779 -6.758 3.462 1.00 0.00 N ATOM 286 CA ALA A 40 -3.000 -8.022 3.615 1.00 0.00 C ATOM 287 C ALA A 40 -3.837 -9.083 4.353 1.00 0.00 C ATOM 288 O ALA A 40 -4.882 -8.780 4.893 1.00 0.00 O ATOM 289 CB ALA A 40 -1.737 -7.717 4.424 1.00 0.00 C ATOM 0 H ALA A 40 -4.743 -6.793 3.794 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.739 -8.410 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.154 -8.630 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.139 -6.972 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.017 -7.331 5.404 1.00 0.00 H new ATOM 290 N PRO A 41 -3.333 -10.297 4.356 1.00 0.00 N ATOM 291 CA PRO A 41 -3.987 -11.445 5.027 1.00 0.00 C ATOM 292 C PRO A 41 -3.787 -11.339 6.537 1.00 0.00 C ATOM 293 O PRO A 41 -2.872 -11.919 7.088 1.00 0.00 O ATOM 294 CB PRO A 41 -3.230 -12.659 4.473 1.00 0.00 C ATOM 295 CG PRO A 41 -1.859 -12.129 3.996 1.00 0.00 C ATOM 296 CD PRO A 41 -2.057 -10.637 3.694 1.00 0.00 C ATOM 0 HA PRO A 41 -5.061 -11.498 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.107 -13.424 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.778 -13.118 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.098 -12.273 4.763 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.522 -12.664 3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.234 -10.039 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.104 -10.451 2.621 1.00 0.00 H new ATOM 297 N GLY A 42 -4.601 -10.576 7.214 1.00 0.00 N ATOM 298 CA GLY A 42 -4.398 -10.422 8.682 1.00 0.00 C ATOM 299 C GLY A 42 -2.941 -10.048 8.908 1.00 0.00 C ATOM 300 O GLY A 42 -2.394 -10.217 9.981 1.00 0.00 O ATOM 0 H GLY A 42 -5.388 -10.059 6.821 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.057 -9.651 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.640 -11.349 9.201 1.00 0.00 H new ATOM 301 N LYS A 43 -2.323 -9.513 7.895 1.00 0.00 N ATOM 302 CA LYS A 43 -0.915 -9.085 8.010 1.00 0.00 C ATOM 303 C LYS A 43 -0.924 -7.564 8.074 1.00 0.00 C ATOM 304 O LYS A 43 0.056 -6.904 7.797 1.00 0.00 O ATOM 305 CB LYS A 43 -0.141 -9.562 6.774 1.00 0.00 C ATOM 306 CG LYS A 43 1.313 -9.091 6.858 1.00 0.00 C ATOM 307 CD LYS A 43 1.865 -9.373 8.258 1.00 0.00 C ATOM 308 CE LYS A 43 3.355 -9.028 8.297 1.00 0.00 C ATOM 309 NZ LYS A 43 3.833 -9.053 9.708 1.00 0.00 N ATOM 0 H LYS A 43 -2.746 -9.354 6.980 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.436 -9.504 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.177 -10.649 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.607 -9.172 5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.916 -9.604 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.373 -8.025 6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.325 -8.784 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.717 -10.422 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.920 -9.741 7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.523 -8.043 7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.846 -8.819 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.301 -8.356 10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.686 -10.002 10.107 1.00 0.00 H new ATOM 310 N GLU A 44 -2.050 -7.006 8.429 1.00 0.00 N ATOM 311 CA GLU A 44 -2.160 -5.534 8.501 1.00 0.00 C ATOM 312 C GLU A 44 -1.937 -4.977 7.093 1.00 0.00 C ATOM 313 O GLU A 44 -1.473 -5.676 6.214 1.00 0.00 O ATOM 314 CB GLU A 44 -1.127 -5.015 9.511 1.00 0.00 C ATOM 315 CG GLU A 44 0.011 -4.255 8.814 1.00 0.00 C ATOM 316 CD GLU A 44 1.103 -3.925 9.835 1.00 0.00 C ATOM 317 OE1 GLU A 44 1.383 -4.770 10.669 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.643 -2.833 9.762 1.00 0.00 O ATOM 0 H GLU A 44 -2.899 -7.516 8.672 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.143 -5.210 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.618 -4.358 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.715 -5.852 10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.424 -4.858 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.371 -3.338 8.365 1.00 0.00 H new ATOM 319 N ARG A 45 -2.281 -3.746 6.855 1.00 0.00 N ATOM 320 CA ARG A 45 -2.100 -3.194 5.485 1.00 0.00 C ATOM 321 C ARG A 45 -0.676 -3.415 5.008 1.00 0.00 C ATOM 322 O ARG A 45 0.119 -4.091 5.629 1.00 0.00 O ATOM 323 CB ARG A 45 -2.358 -1.694 5.465 1.00 0.00 C ATOM 324 CG ARG A 45 -3.770 -1.415 4.956 1.00 0.00 C ATOM 325 CD ARG A 45 -4.298 -0.127 5.583 1.00 0.00 C ATOM 326 NE ARG A 45 -4.941 -0.433 6.894 1.00 0.00 N ATOM 327 CZ ARG A 45 -5.688 -1.496 7.026 1.00 0.00 C ATOM 328 NH1 ARG A 45 -6.677 -1.708 6.200 1.00 0.00 N ATOM 329 NH2 ARG A 45 -5.445 -2.347 7.984 1.00 0.00 N ATOM 0 H ARG A 45 -2.676 -3.102 7.541 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.809 -3.708 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.235 -1.282 6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.627 -1.199 4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.764 -1.326 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.428 -2.248 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.482 0.581 5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.018 0.345 4.915 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.797 0.190 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.867 -1.043 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.260 -2.539 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.672 -2.182 8.629 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.028 -3.178 8.088 1.00 0.00 H new ATOM 330 N GLU A 46 -0.361 -2.828 3.896 1.00 0.00 N ATOM 331 CA GLU A 46 0.991 -2.957 3.328 1.00 0.00 C ATOM 332 C GLU A 46 0.981 -2.280 1.963 1.00 0.00 C ATOM 333 O GLU A 46 0.499 -2.832 0.995 1.00 0.00 O ATOM 334 CB GLU A 46 1.330 -4.436 3.180 1.00 0.00 C ATOM 335 CG GLU A 46 2.689 -4.722 3.823 1.00 0.00 C ATOM 336 CD GLU A 46 3.808 -4.343 2.850 1.00 0.00 C ATOM 337 OE1 GLU A 46 3.635 -4.566 1.664 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.819 -3.838 3.310 1.00 0.00 O ATOM 0 H GLU A 46 -1.001 -2.253 3.348 1.00 0.00 H new ATOM 0 HA GLU A 46 1.737 -2.492 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.559 -5.045 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.351 -4.710 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.791 -4.155 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.764 -5.777 4.085 1.00 0.00 H new ATOM 339 N ILE A 47 1.484 -1.080 1.885 1.00 0.00 N ATOM 340 CA ILE A 47 1.491 -0.361 0.584 1.00 0.00 C ATOM 341 C ILE A 47 2.528 -0.999 -0.325 1.00 0.00 C ATOM 342 O ILE A 47 3.285 -1.860 0.076 1.00 0.00 O ATOM 343 CB ILE A 47 1.885 1.113 0.805 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.390 1.971 -0.384 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.409 1.224 0.935 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.552 2.367 -1.327 1.00 0.00 C ATOM 0 H ILE A 47 1.890 -0.567 2.667 1.00 0.00 H new ATOM 0 HA ILE A 47 0.498 -0.417 0.137 1.00 0.00 H new ATOM 0 HB ILE A 47 1.421 1.478 1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.639 1.416 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.905 2.871 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.686 2.267 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.746 0.628 1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.880 0.856 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.164 2.969 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.291 2.945 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.020 1.467 -1.725 1.00 0.00 H new ATOM 347 N VAL A 48 2.604 -0.534 -1.526 1.00 0.00 N ATOM 348 CA VAL A 48 3.635 -1.044 -2.443 1.00 0.00 C ATOM 349 C VAL A 48 4.196 0.134 -3.224 1.00 0.00 C ATOM 350 O VAL A 48 5.369 0.183 -3.515 1.00 0.00 O ATOM 351 CB VAL A 48 3.074 -2.083 -3.401 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.213 -2.568 -4.292 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.527 -3.264 -2.600 1.00 0.00 C ATOM 0 H VAL A 48 1.991 0.183 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 48 4.417 -1.533 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 48 2.274 -1.653 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.836 -3.316 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.623 -1.726 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.995 -3.010 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.124 -4.011 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.330 -3.707 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.737 -2.917 -1.934 1.00 0.00 H new ATOM 354 N SER A 49 3.397 1.117 -3.557 1.00 0.00 N ATOM 355 CA SER A 49 3.996 2.252 -4.295 1.00 0.00 C ATOM 356 C SER A 49 2.968 3.325 -4.614 1.00 0.00 C ATOM 357 O SER A 49 1.778 3.082 -4.680 1.00 0.00 O ATOM 358 CB SER A 49 4.621 1.733 -5.587 1.00 0.00 C ATOM 359 OG SER A 49 6.033 1.886 -5.522 1.00 0.00 O ATOM 0 H SER A 49 2.399 1.178 -3.357 1.00 0.00 H new ATOM 0 HA SER A 49 4.758 2.707 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.364 0.684 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.224 2.280 -6.442 1.00 0.00 H new ATOM 0 HG SER A 49 6.250 2.729 -5.072 1.00 0.00 H new ATOM 360 N ALA A 50 3.436 4.526 -4.804 1.00 0.00 N ATOM 361 CA ALA A 50 2.505 5.644 -5.115 1.00 0.00 C ATOM 362 C ALA A 50 3.265 6.785 -5.814 1.00 0.00 C ATOM 363 O ALA A 50 4.475 6.765 -5.911 1.00 0.00 O ATOM 364 CB ALA A 50 1.887 6.131 -3.806 1.00 0.00 C ATOM 0 H ALA A 50 4.422 4.781 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 50 1.718 5.304 -5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.200 6.952 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.344 5.313 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.676 6.476 -3.138 1.00 0.00 H new ATOM 365 N VAL A 51 2.563 7.771 -6.316 1.00 0.00 N ATOM 366 CA VAL A 51 3.243 8.899 -7.022 1.00 0.00 C ATOM 367 C VAL A 51 2.445 10.187 -6.787 1.00 0.00 C ATOM 368 O VAL A 51 1.577 10.539 -7.557 1.00 0.00 O ATOM 369 CB VAL A 51 3.298 8.586 -8.520 1.00 0.00 C ATOM 370 CG1 VAL A 51 1.877 8.496 -9.076 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.058 9.692 -9.251 1.00 0.00 C ATOM 0 H VAL A 51 1.547 7.843 -6.267 1.00 0.00 H new ATOM 0 HA VAL A 51 4.256 9.028 -6.642 1.00 0.00 H new ATOM 0 HB VAL A 51 3.810 7.635 -8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.917 8.273 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.334 7.704 -8.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.365 9.446 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.095 9.465 -10.317 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.549 10.644 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.073 9.757 -8.859 1.00 0.00 H new ATOM 372 N SER A 52 2.718 10.877 -5.715 1.00 0.00 N ATOM 373 CA SER A 52 1.949 12.123 -5.412 1.00 0.00 C ATOM 374 C SER A 52 2.510 13.329 -6.173 1.00 0.00 C ATOM 375 O SER A 52 3.698 13.436 -6.417 1.00 0.00 O ATOM 376 CB SER A 52 2.014 12.401 -3.912 1.00 0.00 C ATOM 377 OG SER A 52 1.292 13.590 -3.624 1.00 0.00 O ATOM 0 H SER A 52 3.439 10.635 -5.035 1.00 0.00 H new ATOM 0 HA SER A 52 0.917 11.971 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.594 11.563 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.051 12.506 -3.594 1.00 0.00 H new ATOM 0 HG SER A 52 1.330 13.771 -2.662 1.00 0.00 H new ATOM 378 N GLY A 53 1.643 14.243 -6.537 1.00 0.00 N ATOM 379 CA GLY A 53 2.078 15.464 -7.275 1.00 0.00 C ATOM 380 C GLY A 53 2.529 15.068 -8.674 1.00 0.00 C ATOM 381 O GLY A 53 2.287 13.963 -9.120 1.00 0.00 O ATOM 0 H GLY A 53 0.642 14.192 -6.351 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.258 16.180 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.893 15.955 -6.742 1.00 0.00 H new ATOM 382 N SER A 54 3.205 15.946 -9.369 1.00 0.00 N ATOM 383 CA SER A 54 3.688 15.583 -10.728 1.00 0.00 C ATOM 384 C SER A 54 4.333 14.204 -10.629 1.00 0.00 C ATOM 385 O SER A 54 4.388 13.451 -11.581 1.00 0.00 O ATOM 386 CB SER A 54 4.722 16.607 -11.200 1.00 0.00 C ATOM 387 OG SER A 54 4.121 17.895 -11.248 1.00 0.00 O ATOM 0 H SER A 54 3.440 16.888 -9.056 1.00 0.00 H new ATOM 0 HA SER A 54 2.864 15.573 -11.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.576 16.617 -10.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.099 16.332 -12.185 1.00 0.00 H new ATOM 0 HG SER A 54 4.782 18.553 -11.548 1.00 0.00 H new ATOM 388 N GLY A 55 4.807 13.873 -9.458 1.00 0.00 N ATOM 389 CA GLY A 55 5.437 12.548 -9.241 1.00 0.00 C ATOM 390 C GLY A 55 6.615 12.706 -8.278 1.00 0.00 C ATOM 391 O GLY A 55 7.171 11.737 -7.800 1.00 0.00 O ATOM 0 H GLY A 55 4.782 14.475 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.709 11.848 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.780 12.135 -10.190 1.00 0.00 H new ATOM 392 N GLY A 56 6.995 13.921 -7.983 1.00 0.00 N ATOM 393 CA GLY A 56 8.130 14.138 -7.044 1.00 0.00 C ATOM 394 C GLY A 56 7.979 13.196 -5.850 1.00 0.00 C ATOM 395 O GLY A 56 8.947 12.668 -5.337 1.00 0.00 O ATOM 0 H GLY A 56 6.568 14.771 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.077 13.954 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.145 15.174 -6.706 1.00 0.00 H new ATOM 396 N SER A 57 6.770 12.968 -5.408 1.00 0.00 N ATOM 397 CA SER A 57 6.567 12.049 -4.256 1.00 0.00 C ATOM 398 C SER A 57 6.363 10.633 -4.792 1.00 0.00 C ATOM 399 O SER A 57 5.682 10.424 -5.778 1.00 0.00 O ATOM 400 CB SER A 57 5.340 12.482 -3.460 1.00 0.00 C ATOM 401 OG SER A 57 5.755 12.999 -2.202 1.00 0.00 O ATOM 0 H SER A 57 5.920 13.378 -5.795 1.00 0.00 H new ATOM 0 HA SER A 57 7.438 12.076 -3.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.783 13.239 -4.012 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.669 11.635 -3.315 1.00 0.00 H new ATOM 0 HG SER A 57 4.969 13.280 -1.688 1.00 0.00 H new ATOM 402 N THR A 58 6.947 9.657 -4.156 1.00 0.00 N ATOM 403 CA THR A 58 6.795 8.262 -4.638 1.00 0.00 C ATOM 404 C THR A 58 6.809 7.328 -3.441 1.00 0.00 C ATOM 405 O THR A 58 7.430 7.604 -2.433 1.00 0.00 O ATOM 406 CB THR A 58 7.951 7.919 -5.581 1.00 0.00 C ATOM 407 OG1 THR A 58 9.184 8.252 -4.958 1.00 0.00 O ATOM 408 CG2 THR A 58 7.799 8.715 -6.878 1.00 0.00 C ATOM 0 H THR A 58 7.524 9.768 -3.322 1.00 0.00 H new ATOM 0 HA THR A 58 5.854 8.152 -5.178 1.00 0.00 H new ATOM 0 HB THR A 58 7.937 6.853 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.925 8.031 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.621 8.473 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.852 8.459 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.815 9.782 -6.654 1.00 0.00 H new ATOM 409 N TYR A 59 6.122 6.231 -3.527 1.00 0.00 N ATOM 410 CA TYR A 59 6.098 5.305 -2.375 1.00 0.00 C ATOM 411 C TYR A 59 6.531 3.913 -2.801 1.00 0.00 C ATOM 412 O TYR A 59 6.500 3.569 -3.968 1.00 0.00 O ATOM 413 CB TYR A 59 4.711 5.273 -1.780 1.00 0.00 C ATOM 414 CG TYR A 59 4.837 5.569 -0.316 1.00 0.00 C ATOM 415 CD1 TYR A 59 5.141 6.867 0.110 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.665 4.546 0.612 1.00 0.00 C ATOM 417 CE1 TYR A 59 5.271 7.137 1.479 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.792 4.809 1.977 1.00 0.00 C ATOM 419 CZ TYR A 59 5.094 6.105 2.415 1.00 0.00 C ATOM 420 OH TYR A 59 5.221 6.367 3.764 1.00 0.00 O ATOM 0 H TYR A 59 5.580 5.938 -4.340 1.00 0.00 H new ATOM 0 HA TYR A 59 6.799 5.659 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.070 6.009 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.251 4.297 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.275 7.658 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.433 3.546 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.507 8.136 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.657 4.014 2.695 1.00 0.00 H new ATOM 0 HH TYR A 59 5.066 5.544 4.273 1.00 0.00 H new ATOM 421 N TYR A 60 7.000 3.147 -1.850 1.00 0.00 N ATOM 422 CA TYR A 60 7.529 1.781 -2.126 1.00 0.00 C ATOM 423 C TYR A 60 7.279 0.875 -0.920 1.00 0.00 C ATOM 424 O TYR A 60 8.205 0.510 -0.223 1.00 0.00 O ATOM 425 CB TYR A 60 9.047 1.867 -2.305 1.00 0.00 C ATOM 426 CG TYR A 60 9.405 2.721 -3.492 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.126 4.090 -3.478 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.020 2.139 -4.600 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.460 4.883 -4.580 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.359 2.926 -5.703 1.00 0.00 C ATOM 431 CZ TYR A 60 10.080 4.301 -5.695 1.00 0.00 C ATOM 432 OH TYR A 60 10.412 5.080 -6.786 1.00 0.00 O ATOM 0 H TYR A 60 7.038 3.421 -0.868 1.00 0.00 H new ATOM 0 HA TYR A 60 7.038 1.387 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.500 2.282 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.458 0.866 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.652 4.536 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.234 1.080 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.241 5.941 -4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.836 2.476 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 60 10.835 4.521 -7.471 1.00 0.00 H new ATOM 433 N ALA A 61 6.066 0.498 -0.650 1.00 0.00 N ATOM 434 CA ALA A 61 5.842 -0.385 0.529 1.00 0.00 C ATOM 435 C ALA A 61 6.411 0.296 1.778 1.00 0.00 C ATOM 436 O ALA A 61 6.462 1.507 1.865 1.00 0.00 O ATOM 437 CB ALA A 61 6.567 -1.710 0.303 1.00 0.00 C ATOM 0 H ALA A 61 5.233 0.754 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 61 4.775 -0.566 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.408 -2.363 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.177 -2.190 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.634 -1.525 0.181 1.00 0.00 H new ATOM 438 N ASP A 62 6.846 -0.469 2.744 1.00 0.00 N ATOM 439 CA ASP A 62 7.417 0.143 3.978 1.00 0.00 C ATOM 440 C ASP A 62 8.847 -0.365 4.192 1.00 0.00 C ATOM 441 O ASP A 62 9.435 -0.161 5.234 1.00 0.00 O ATOM 442 CB ASP A 62 6.554 -0.235 5.182 1.00 0.00 C ATOM 443 CG ASP A 62 5.094 0.116 4.897 1.00 0.00 C ATOM 444 OD1 ASP A 62 4.637 -0.177 3.804 1.00 0.00 O ATOM 445 OD2 ASP A 62 4.455 0.671 5.775 1.00 0.00 O ATOM 0 H ASP A 62 6.830 -1.489 2.732 1.00 0.00 H new ATOM 0 HA ASP A 62 7.433 1.227 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.648 -1.301 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.899 0.294 6.070 1.00 0.00 H new ATOM 446 N SER A 63 9.411 -1.028 3.215 1.00 0.00 N ATOM 447 CA SER A 63 10.803 -1.547 3.372 1.00 0.00 C ATOM 448 C SER A 63 11.465 -1.695 2.007 1.00 0.00 C ATOM 449 O SER A 63 12.466 -2.370 1.869 1.00 0.00 O ATOM 450 CB SER A 63 10.772 -2.920 4.027 1.00 0.00 C ATOM 451 OG SER A 63 9.671 -2.997 4.922 1.00 0.00 O ATOM 0 H SER A 63 8.970 -1.232 2.318 1.00 0.00 H new ATOM 0 HA SER A 63 11.362 -0.843 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.689 -3.695 3.265 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.703 -3.099 4.564 1.00 0.00 H new ATOM 0 HG SER A 63 9.652 -3.882 5.342 1.00 0.00 H new ATOM 452 N VAL A 64 10.926 -1.086 0.996 1.00 0.00 N ATOM 453 CA VAL A 64 11.547 -1.221 -0.343 1.00 0.00 C ATOM 454 C VAL A 64 11.682 0.165 -0.977 1.00 0.00 C ATOM 455 O VAL A 64 11.499 0.340 -2.165 1.00 0.00 O ATOM 456 CB VAL A 64 10.686 -2.118 -1.238 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.984 -3.586 -0.923 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.203 -1.838 -0.986 1.00 0.00 C ATOM 0 H VAL A 64 10.089 -0.505 1.037 1.00 0.00 H new ATOM 0 HA VAL A 64 12.532 -1.675 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 64 10.918 -1.910 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.372 -4.226 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.038 -3.791 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.754 -3.788 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.598 -2.480 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.967 -2.041 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.987 -0.794 -1.211 1.00 0.00 H new ATOM 459 N LYS A 65 11.992 1.151 -0.184 1.00 0.00 N ATOM 460 CA LYS A 65 12.137 2.532 -0.720 1.00 0.00 C ATOM 461 C LYS A 65 13.061 2.530 -1.941 1.00 0.00 C ATOM 462 O LYS A 65 13.039 3.442 -2.744 1.00 0.00 O ATOM 463 CB LYS A 65 12.732 3.426 0.367 1.00 0.00 C ATOM 464 CG LYS A 65 14.002 2.777 0.922 1.00 0.00 C ATOM 465 CD LYS A 65 13.894 2.669 2.444 1.00 0.00 C ATOM 466 CE LYS A 65 13.374 1.282 2.823 1.00 0.00 C ATOM 467 NZ LYS A 65 13.877 0.915 4.176 1.00 0.00 N ATOM 0 H LYS A 65 12.152 1.059 0.819 1.00 0.00 H new ATOM 0 HA LYS A 65 11.159 2.908 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.962 4.410 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.007 3.575 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.139 1.788 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.875 3.370 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.868 2.841 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.222 3.438 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.284 1.276 2.815 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.702 0.546 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.523 -0.028 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.917 0.905 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.542 1.612 4.872 1.00 0.00 H new ATOM 468 N GLY A 66 13.876 1.522 -2.090 1.00 0.00 N ATOM 469 CA GLY A 66 14.798 1.487 -3.263 1.00 0.00 C ATOM 470 C GLY A 66 14.722 0.124 -3.956 1.00 0.00 C ATOM 471 O GLY A 66 15.438 -0.137 -4.902 1.00 0.00 O ATOM 0 H GLY A 66 13.944 0.726 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.533 2.276 -3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.820 1.681 -2.937 1.00 0.00 H new ATOM 472 N ARG A 67 13.867 -0.748 -3.497 1.00 0.00 N ATOM 473 CA ARG A 67 13.762 -2.091 -4.140 1.00 0.00 C ATOM 474 C ARG A 67 12.334 -2.311 -4.652 1.00 0.00 C ATOM 475 O ARG A 67 11.921 -3.428 -4.889 1.00 0.00 O ATOM 476 CB ARG A 67 14.107 -3.171 -3.112 1.00 0.00 C ATOM 477 CG ARG A 67 15.299 -3.991 -3.611 1.00 0.00 C ATOM 478 CD ARG A 67 16.242 -4.283 -2.441 1.00 0.00 C ATOM 479 NE ARG A 67 16.939 -5.580 -2.673 1.00 0.00 N ATOM 480 CZ ARG A 67 18.092 -5.602 -3.286 1.00 0.00 C ATOM 481 NH1 ARG A 67 18.139 -5.718 -4.584 1.00 0.00 N ATOM 482 NH2 ARG A 67 19.198 -5.508 -2.601 1.00 0.00 N ATOM 0 H ARG A 67 13.239 -0.591 -2.709 1.00 0.00 H new ATOM 0 HA ARG A 67 14.456 -2.146 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.345 -2.712 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.247 -3.821 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.952 -4.924 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.829 -3.445 -4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.972 -3.480 -2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.679 -4.323 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 67 16.515 -6.451 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.275 -5.792 -5.121 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.040 -5.735 -5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.163 -5.417 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.098 -5.525 -3.081 1.00 0.00 H new ATOM 483 N PHE A 68 11.585 -1.255 -4.832 1.00 0.00 N ATOM 484 CA PHE A 68 10.186 -1.391 -5.332 1.00 0.00 C ATOM 485 C PHE A 68 10.015 -0.411 -6.493 1.00 0.00 C ATOM 486 O PHE A 68 10.879 0.407 -6.731 1.00 0.00 O ATOM 487 CB PHE A 68 9.226 -1.008 -4.206 1.00 0.00 C ATOM 488 CG PHE A 68 8.488 -2.216 -3.672 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.024 -3.504 -3.789 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.258 -2.031 -3.034 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.325 -4.601 -3.263 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.562 -3.124 -2.515 1.00 0.00 C ATOM 493 CZ PHE A 68 7.094 -4.405 -2.626 1.00 0.00 C ATOM 0 H PHE A 68 11.885 -0.297 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 68 9.981 -2.411 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.782 -0.534 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.508 -0.274 -4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.973 -3.653 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.844 -1.038 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.736 -5.596 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.610 -2.975 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.556 -5.249 -2.220 1.00 0.00 H new ATOM 494 N THR A 69 8.937 -0.466 -7.230 1.00 0.00 N ATOM 495 CA THR A 69 8.812 0.505 -8.357 1.00 0.00 C ATOM 496 C THR A 69 7.347 0.795 -8.707 1.00 0.00 C ATOM 497 O THR A 69 6.543 -0.098 -8.887 1.00 0.00 O ATOM 498 CB THR A 69 9.504 -0.072 -9.587 1.00 0.00 C ATOM 499 OG1 THR A 69 9.595 0.925 -10.593 1.00 0.00 O ATOM 500 CG2 THR A 69 8.690 -1.252 -10.107 1.00 0.00 C ATOM 0 H THR A 69 8.162 -1.117 -7.108 1.00 0.00 H new ATOM 0 HA THR A 69 9.277 1.440 -8.045 1.00 0.00 H new ATOM 0 HB THR A 69 10.507 -0.406 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.041 0.553 -11.382 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.178 -1.671 -10.987 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.621 -2.016 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.689 -0.914 -10.374 1.00 0.00 H new ATOM 501 N ILE A 70 7.021 2.055 -8.852 1.00 0.00 N ATOM 502 CA ILE A 70 5.639 2.448 -9.247 1.00 0.00 C ATOM 503 C ILE A 70 5.585 2.463 -10.774 1.00 0.00 C ATOM 504 O ILE A 70 5.655 3.505 -11.394 1.00 0.00 O ATOM 505 CB ILE A 70 5.332 3.843 -8.713 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.952 4.291 -9.204 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.394 4.803 -9.229 1.00 0.00 C ATOM 508 CD1 ILE A 70 2.874 3.368 -8.630 1.00 0.00 C ATOM 0 H ILE A 70 7.663 2.835 -8.711 1.00 0.00 H new ATOM 0 HA ILE A 70 4.908 1.749 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 70 5.334 3.834 -7.623 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.763 5.320 -8.898 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.919 4.271 -10.293 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.189 5.807 -8.856 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.376 4.480 -8.882 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.379 4.811 -10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.894 3.690 -8.982 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.059 2.345 -8.958 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.901 3.411 -7.541 1.00 0.00 H new ATOM 509 N SER A 71 5.480 1.315 -11.392 1.00 0.00 N ATOM 510 CA SER A 71 5.445 1.283 -12.882 1.00 0.00 C ATOM 511 C SER A 71 4.123 1.867 -13.351 1.00 0.00 C ATOM 512 O SER A 71 3.110 1.717 -12.698 1.00 0.00 O ATOM 513 CB SER A 71 5.572 -0.159 -13.373 1.00 0.00 C ATOM 514 OG SER A 71 6.899 -0.386 -13.828 1.00 0.00 O ATOM 0 H SER A 71 5.418 0.406 -10.933 1.00 0.00 H new ATOM 0 HA SER A 71 6.274 1.866 -13.283 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.328 -0.852 -12.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.862 -0.344 -14.179 1.00 0.00 H new ATOM 0 HG SER A 71 6.913 -1.167 -14.420 1.00 0.00 H new ATOM 515 N ARG A 72 4.098 2.540 -14.468 1.00 0.00 N ATOM 516 CA ARG A 72 2.797 3.101 -14.903 1.00 0.00 C ATOM 517 C ARG A 72 2.603 2.986 -16.413 1.00 0.00 C ATOM 518 O ARG A 72 3.543 2.900 -17.178 1.00 0.00 O ATOM 519 CB ARG A 72 2.662 4.565 -14.483 1.00 0.00 C ATOM 520 CG ARG A 72 3.205 4.767 -13.067 1.00 0.00 C ATOM 521 CD ARG A 72 2.292 5.736 -12.317 1.00 0.00 C ATOM 522 NE ARG A 72 2.623 7.135 -12.710 1.00 0.00 N ATOM 523 CZ ARG A 72 3.869 7.515 -12.783 1.00 0.00 C ATOM 524 NH1 ARG A 72 4.662 7.351 -11.761 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.322 8.061 -13.878 1.00 0.00 N ATOM 0 H ARG A 72 4.895 2.720 -15.078 1.00 0.00 H new ATOM 0 HA ARG A 72 2.023 2.512 -14.411 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.205 5.202 -15.182 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.615 4.867 -14.524 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.253 3.813 -12.543 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.221 5.161 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.248 5.520 -12.546 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.415 5.610 -11.241 1.00 0.00 H new ATOM 0 HE ARG A 72 1.875 7.796 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.308 6.925 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.636 7.648 -11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.702 8.191 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.296 8.358 -13.935 1.00 0.00 H new ATOM 526 N ASP A 73 1.362 2.997 -16.840 1.00 0.00 N ATOM 527 CA ASP A 73 1.055 2.907 -18.290 1.00 0.00 C ATOM 528 C ASP A 73 0.011 3.979 -18.634 1.00 0.00 C ATOM 529 O ASP A 73 -1.191 3.783 -18.487 1.00 0.00 O ATOM 530 CB ASP A 73 0.523 1.511 -18.625 1.00 0.00 C ATOM 531 CG ASP A 73 1.450 0.451 -18.027 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.807 0.590 -16.870 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.784 -0.483 -18.738 1.00 0.00 O ATOM 0 H ASP A 73 0.545 3.065 -16.233 1.00 0.00 H new ATOM 0 HA ASP A 73 1.958 3.075 -18.877 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.486 1.391 -18.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.459 1.385 -19.706 1.00 0.00 H new ATOM 534 N ASN A 74 0.486 5.123 -19.060 1.00 0.00 N ATOM 535 CA ASN A 74 -0.396 6.276 -19.407 1.00 0.00 C ATOM 536 C ASN A 74 -1.507 5.871 -20.386 1.00 0.00 C ATOM 537 O ASN A 74 -2.671 5.841 -20.044 1.00 0.00 O ATOM 538 CB ASN A 74 0.464 7.343 -20.078 1.00 0.00 C ATOM 539 CG ASN A 74 -0.364 8.610 -20.301 1.00 0.00 C ATOM 540 OD1 ASN A 74 -1.201 8.657 -21.181 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.162 9.649 -19.537 1.00 0.00 N ATOM 0 H ASN A 74 1.481 5.309 -19.185 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.863 6.641 -18.492 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.331 7.568 -19.457 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.842 6.972 -21.031 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.707 10.500 -19.679 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.540 9.610 -18.798 1.00 0.00 H new ATOM 542 N SER A 75 -1.155 5.596 -21.616 1.00 0.00 N ATOM 543 CA SER A 75 -2.188 5.234 -22.634 1.00 0.00 C ATOM 544 C SER A 75 -2.580 3.760 -22.509 1.00 0.00 C ATOM 545 O SER A 75 -2.807 3.084 -23.493 1.00 0.00 O ATOM 546 CB SER A 75 -1.628 5.489 -24.033 1.00 0.00 C ATOM 547 OG SER A 75 -0.245 5.164 -24.051 1.00 0.00 O ATOM 0 H SER A 75 -0.195 5.606 -21.960 1.00 0.00 H new ATOM 0 HA SER A 75 -3.074 5.847 -22.465 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.164 4.888 -24.767 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.772 6.533 -24.310 1.00 0.00 H new ATOM 0 HG SER A 75 0.117 5.325 -24.947 1.00 0.00 H new ATOM 548 N LYS A 76 -2.668 3.259 -21.312 1.00 0.00 N ATOM 549 CA LYS A 76 -3.053 1.837 -21.126 1.00 0.00 C ATOM 550 C LYS A 76 -4.141 1.754 -20.055 1.00 0.00 C ATOM 551 O LYS A 76 -4.580 0.684 -19.682 1.00 0.00 O ATOM 552 CB LYS A 76 -1.832 1.046 -20.674 1.00 0.00 C ATOM 553 CG LYS A 76 -0.719 1.173 -21.723 1.00 0.00 C ATOM 554 CD LYS A 76 -0.066 2.561 -21.643 1.00 0.00 C ATOM 555 CE LYS A 76 1.455 2.407 -21.623 1.00 0.00 C ATOM 556 NZ LYS A 76 2.058 3.304 -22.648 1.00 0.00 N ATOM 0 H LYS A 76 -2.489 3.776 -20.451 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.428 1.424 -22.063 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.482 1.417 -19.711 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.096 -0.002 -20.535 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.033 0.400 -21.561 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.130 1.014 -22.720 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.370 3.168 -22.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.402 3.082 -20.746 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.843 2.654 -20.635 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.729 1.371 -21.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.353 2.741 -23.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.357 4.012 -22.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.886 3.786 -22.244 1.00 0.00 H new ATOM 557 N ASN A 77 -4.580 2.882 -19.561 1.00 0.00 N ATOM 558 CA ASN A 77 -5.629 2.890 -18.531 1.00 0.00 C ATOM 559 C ASN A 77 -5.116 2.258 -17.239 1.00 0.00 C ATOM 560 O ASN A 77 -5.885 1.715 -16.478 1.00 0.00 O ATOM 561 CB ASN A 77 -6.860 2.131 -19.032 1.00 0.00 C ATOM 562 CG ASN A 77 -7.780 3.099 -19.780 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.270 4.167 -20.330 1.00 0.00 O flip ATOM 564 ND2 ASN A 77 -8.972 2.881 -19.864 1.00 0.00 N flip ATOM 0 H ASN A 77 -4.244 3.804 -19.839 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.906 3.924 -18.326 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.557 1.317 -19.690 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.391 1.681 -18.193 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.369 2.046 -19.434 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.576 3.533 -20.365 1.00 0.00 H new ATOM 565 N THR A 78 -3.838 2.332 -16.943 1.00 0.00 N ATOM 566 CA THR A 78 -3.400 1.740 -15.652 1.00 0.00 C ATOM 567 C THR A 78 -1.891 1.840 -15.465 1.00 0.00 C ATOM 568 O THR A 78 -1.137 1.983 -16.399 1.00 0.00 O ATOM 569 CB THR A 78 -3.808 0.273 -15.630 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.094 -0.407 -14.607 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.488 -0.350 -16.988 1.00 0.00 C ATOM 0 H THR A 78 -3.111 2.759 -17.517 1.00 0.00 H new ATOM 0 HA THR A 78 -3.874 2.293 -14.841 1.00 0.00 H new ATOM 0 HB THR A 78 -4.876 0.189 -15.430 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.222 0.058 -13.754 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.776 -1.401 -16.983 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.040 0.174 -17.768 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.419 -0.268 -17.183 1.00 0.00 H new ATOM 572 N LEU A 79 -1.458 1.730 -14.242 1.00 0.00 N ATOM 573 CA LEU A 79 -0.011 1.772 -13.944 1.00 0.00 C ATOM 574 C LEU A 79 0.325 0.482 -13.210 1.00 0.00 C ATOM 575 O LEU A 79 -0.503 -0.059 -12.526 1.00 0.00 O ATOM 576 CB LEU A 79 0.314 2.985 -13.072 1.00 0.00 C ATOM 577 CG LEU A 79 -0.636 3.018 -11.890 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.033 3.738 -10.719 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.912 3.754 -12.299 1.00 0.00 C ATOM 0 H LEU A 79 -2.059 1.611 -13.427 1.00 0.00 H new ATOM 0 HA LEU A 79 0.575 1.861 -14.859 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.345 2.932 -12.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.221 3.902 -13.654 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.886 2.002 -11.584 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.649 3.762 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.944 3.208 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.282 4.758 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.602 3.783 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.664 4.772 -12.600 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.381 3.233 -13.133 1.00 0.00 H new ATOM 580 N TYR A 80 1.493 -0.057 -13.383 1.00 0.00 N ATOM 581 CA TYR A 80 1.788 -1.360 -12.730 1.00 0.00 C ATOM 582 C TYR A 80 2.798 -1.208 -11.597 1.00 0.00 C ATOM 583 O TYR A 80 3.415 -0.178 -11.422 1.00 0.00 O ATOM 584 CB TYR A 80 2.330 -2.320 -13.787 1.00 0.00 C ATOM 585 CG TYR A 80 1.281 -2.540 -14.860 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.685 -1.449 -15.516 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.907 -3.843 -15.204 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.276 -1.665 -16.510 1.00 0.00 C ATOM 589 CE2 TYR A 80 -0.057 -4.059 -16.198 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.648 -2.969 -16.850 1.00 0.00 C ATOM 591 OH TYR A 80 -1.598 -3.183 -17.829 1.00 0.00 O ATOM 0 H TYR A 80 2.249 0.340 -13.940 1.00 0.00 H new ATOM 0 HA TYR A 80 0.868 -1.750 -12.294 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.239 -1.913 -14.231 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.598 -3.271 -13.326 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.970 -0.441 -15.252 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.362 -4.684 -14.703 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.730 -0.825 -17.014 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.344 -5.066 -16.461 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.739 -4.146 -17.943 1.00 0.00 H new ATOM 592 N LEU A 81 2.955 -2.240 -10.818 1.00 0.00 N ATOM 593 CA LEU A 81 3.908 -2.174 -9.681 1.00 0.00 C ATOM 594 C LEU A 81 4.847 -3.368 -9.706 1.00 0.00 C ATOM 595 O LEU A 81 4.422 -4.501 -9.560 1.00 0.00 O ATOM 596 CB LEU A 81 3.150 -2.260 -8.354 1.00 0.00 C ATOM 597 CG LEU A 81 2.633 -0.898 -7.909 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.453 -0.906 -6.382 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.620 0.199 -8.254 1.00 0.00 C ATOM 0 H LEU A 81 2.463 -3.127 -10.921 1.00 0.00 H new ATOM 0 HA LEU A 81 4.457 -1.236 -9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.313 -2.950 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.807 -2.668 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 81 1.689 -0.708 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.083 0.065 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.737 -1.680 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.411 -1.110 -5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.225 1.160 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.569 0.006 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.777 0.221 -9.332 1.00 0.00 H new ATOM 600 N GLN A 82 6.119 -3.124 -9.803 1.00 0.00 N ATOM 601 CA GLN A 82 7.080 -4.246 -9.729 1.00 0.00 C ATOM 602 C GLN A 82 7.558 -4.249 -8.278 1.00 0.00 C ATOM 603 O GLN A 82 8.380 -3.442 -7.878 1.00 0.00 O ATOM 604 CB GLN A 82 8.255 -4.040 -10.691 1.00 0.00 C ATOM 605 CG GLN A 82 7.791 -3.233 -11.906 1.00 0.00 C ATOM 606 CD GLN A 82 6.994 -4.143 -12.843 1.00 0.00 C ATOM 607 OE1 GLN A 82 7.228 -5.334 -12.894 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.057 -3.631 -13.593 1.00 0.00 N ATOM 0 H GLN A 82 6.532 -2.200 -9.930 1.00 0.00 H new ATOM 0 HA GLN A 82 6.623 -5.193 -10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.066 -3.518 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.649 -5.005 -11.012 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.175 -2.393 -11.585 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.651 -2.816 -12.430 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.860 -2.631 -13.551 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.522 -4.231 -14.221 1.00 0.00 H new ATOM 609 N MET A 83 6.993 -5.097 -7.467 1.00 0.00 N ATOM 610 CA MET A 83 7.366 -5.095 -6.023 1.00 0.00 C ATOM 611 C MET A 83 8.026 -6.419 -5.636 1.00 0.00 C ATOM 612 O MET A 83 7.376 -7.432 -5.483 1.00 0.00 O ATOM 613 CB MET A 83 6.106 -4.864 -5.162 1.00 0.00 C ATOM 614 CG MET A 83 4.835 -5.131 -5.976 1.00 0.00 C ATOM 615 SD MET A 83 3.460 -5.449 -4.845 1.00 0.00 S ATOM 616 CE MET A 83 2.261 -4.338 -5.621 1.00 0.00 C ATOM 0 H MET A 83 6.293 -5.788 -7.737 1.00 0.00 H new ATOM 0 HA MET A 83 8.079 -4.289 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.130 -5.519 -4.291 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.097 -3.839 -4.790 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.609 -4.274 -6.611 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.984 -5.986 -6.636 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.108 -3.466 -4.985 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.638 -4.017 -6.592 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.314 -4.861 -5.755 1.00 0.00 H new ATOM 617 N ASN A 84 9.321 -6.407 -5.469 1.00 0.00 N ATOM 618 CA ASN A 84 10.042 -7.652 -5.083 1.00 0.00 C ATOM 619 C ASN A 84 10.704 -7.446 -3.721 1.00 0.00 C ATOM 620 O ASN A 84 11.303 -6.421 -3.467 1.00 0.00 O ATOM 621 CB ASN A 84 11.114 -7.964 -6.128 1.00 0.00 C ATOM 622 CG ASN A 84 12.233 -6.924 -6.043 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.040 -5.778 -6.398 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.404 -7.277 -5.586 1.00 0.00 N ATOM 0 H ASN A 84 9.912 -5.584 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 84 9.338 -8.482 -5.027 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.519 -8.962 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.675 -7.960 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.156 -6.591 -5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.566 -8.239 -5.288 1.00 0.00 H new ATOM 625 N SER A 85 10.607 -8.424 -2.854 1.00 0.00 N ATOM 626 CA SER A 85 11.228 -8.319 -1.504 1.00 0.00 C ATOM 627 C SER A 85 10.454 -9.198 -0.513 1.00 0.00 C ATOM 628 O SER A 85 10.918 -9.473 0.576 1.00 0.00 O ATOM 629 CB SER A 85 11.201 -6.869 -1.014 1.00 0.00 C ATOM 630 OG SER A 85 11.010 -6.851 0.395 1.00 0.00 O ATOM 0 H SER A 85 10.117 -9.301 -3.030 1.00 0.00 H new ATOM 0 HA SER A 85 12.263 -8.654 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.134 -6.369 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.399 -6.321 -1.508 1.00 0.00 H new ATOM 0 HG SER A 85 10.994 -5.924 0.711 1.00 0.00 H new ATOM 631 N LEU A 86 9.284 -9.647 -0.882 1.00 0.00 N ATOM 632 CA LEU A 86 8.493 -10.512 0.039 1.00 0.00 C ATOM 633 C LEU A 86 9.362 -11.702 0.457 1.00 0.00 C ATOM 634 O LEU A 86 10.541 -11.737 0.163 1.00 0.00 O ATOM 635 CB LEU A 86 7.234 -11.006 -0.682 1.00 0.00 C ATOM 636 CG LEU A 86 6.226 -9.856 -0.831 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.081 -9.122 0.503 1.00 0.00 C ATOM 638 CD2 LEU A 86 6.712 -8.872 -1.902 1.00 0.00 C ATOM 0 H LEU A 86 8.843 -9.452 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 86 8.193 -9.949 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.498 -11.398 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.783 -11.825 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 86 5.261 -10.266 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.365 -8.307 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.726 -9.817 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.048 -8.718 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.993 -8.059 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.680 -8.466 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.809 -9.391 -2.856 1.00 0.00 H new ATOM 639 N ARG A 87 8.819 -12.676 1.144 1.00 0.00 N ATOM 640 CA ARG A 87 9.681 -13.823 1.554 1.00 0.00 C ATOM 641 C ARG A 87 8.862 -15.098 1.776 1.00 0.00 C ATOM 642 O ARG A 87 9.017 -15.771 2.776 1.00 0.00 O ATOM 643 CB ARG A 87 10.413 -13.468 2.847 1.00 0.00 C ATOM 644 CG ARG A 87 9.448 -13.567 4.030 1.00 0.00 C ATOM 645 CD ARG A 87 9.539 -12.294 4.873 1.00 0.00 C ATOM 646 NE ARG A 87 10.815 -12.295 5.642 1.00 0.00 N ATOM 647 CZ ARG A 87 11.221 -11.206 6.236 1.00 0.00 C ATOM 648 NH1 ARG A 87 11.698 -10.218 5.530 1.00 0.00 N ATOM 649 NH2 ARG A 87 11.148 -11.106 7.535 1.00 0.00 N ATOM 0 H ARG A 87 7.842 -12.727 1.432 1.00 0.00 H new ATOM 0 HA ARG A 87 10.392 -14.012 0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.256 -14.142 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.820 -12.459 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.428 -13.705 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.692 -14.437 4.639 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.491 -11.415 4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.691 -12.236 5.556 1.00 0.00 H new ATOM 0 HE ARG A 87 11.372 -13.147 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.753 -10.297 4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.015 -9.367 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.774 -11.879 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.465 -10.255 8.000 1.00 0.00 H new ATOM 650 N ALA A 88 8.016 -15.450 0.851 1.00 0.00 N ATOM 651 CA ALA A 88 7.213 -16.699 1.009 1.00 0.00 C ATOM 652 C ALA A 88 6.739 -16.830 2.449 1.00 0.00 C ATOM 653 O ALA A 88 6.850 -17.876 3.057 1.00 0.00 O ATOM 654 CB ALA A 88 8.086 -17.901 0.666 1.00 0.00 C ATOM 0 H ALA A 88 7.844 -14.929 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 88 6.350 -16.658 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.505 -18.817 0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.433 -17.817 -0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.945 -17.930 1.337 1.00 0.00 H new ATOM 655 N GLU A 89 6.225 -15.779 3.009 1.00 0.00 N ATOM 656 CA GLU A 89 5.768 -15.858 4.416 1.00 0.00 C ATOM 657 C GLU A 89 5.030 -14.574 4.794 1.00 0.00 C ATOM 658 O GLU A 89 4.989 -14.191 5.946 1.00 0.00 O ATOM 659 CB GLU A 89 6.995 -16.037 5.308 1.00 0.00 C ATOM 660 CG GLU A 89 7.004 -17.455 5.881 1.00 0.00 C ATOM 661 CD GLU A 89 8.426 -18.015 5.836 1.00 0.00 C ATOM 662 OE1 GLU A 89 9.325 -17.335 6.303 1.00 0.00 O ATOM 663 OE2 GLU A 89 8.594 -19.115 5.334 1.00 0.00 O ATOM 0 H GLU A 89 6.102 -14.873 2.557 1.00 0.00 H new ATOM 0 HA GLU A 89 5.087 -16.699 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.904 -15.859 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.980 -15.306 6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.638 -17.446 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.332 -18.094 5.308 1.00 0.00 H new ATOM 664 N ASP A 90 4.443 -13.906 3.835 1.00 0.00 N ATOM 665 CA ASP A 90 3.709 -12.650 4.153 1.00 0.00 C ATOM 666 C ASP A 90 2.822 -12.246 2.975 1.00 0.00 C ATOM 667 O ASP A 90 2.889 -11.129 2.502 1.00 0.00 O ATOM 668 CB ASP A 90 4.711 -11.526 4.425 1.00 0.00 C ATOM 669 CG ASP A 90 5.252 -11.649 5.851 1.00 0.00 C ATOM 670 OD1 ASP A 90 4.476 -11.980 6.732 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.434 -11.409 6.037 1.00 0.00 O ATOM 0 H ASP A 90 4.441 -14.176 2.851 1.00 0.00 H new ATOM 0 HA ASP A 90 3.089 -12.820 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.531 -11.576 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.230 -10.557 4.291 1.00 0.00 H new ATOM 672 N THR A 91 1.978 -13.125 2.503 1.00 0.00 N ATOM 673 CA THR A 91 1.090 -12.741 1.370 1.00 0.00 C ATOM 674 C THR A 91 0.466 -11.387 1.716 1.00 0.00 C ATOM 675 O THR A 91 0.426 -11.002 2.867 1.00 0.00 O ATOM 676 CB THR A 91 0.005 -13.805 1.184 1.00 0.00 C ATOM 677 OG1 THR A 91 0.606 -15.013 0.735 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.018 -13.330 0.152 1.00 0.00 C ATOM 0 H THR A 91 1.866 -14.079 2.848 1.00 0.00 H new ATOM 0 HA THR A 91 1.651 -12.668 0.438 1.00 0.00 H new ATOM 0 HB THR A 91 -0.500 -13.976 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.085 -15.698 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.787 -14.092 0.025 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.478 -12.404 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.519 -13.155 -0.801 1.00 0.00 H new ATOM 679 N ALA A 92 0.008 -10.639 0.751 1.00 0.00 N ATOM 680 CA ALA A 92 -0.563 -9.300 1.093 1.00 0.00 C ATOM 681 C ALA A 92 -1.768 -8.958 0.215 1.00 0.00 C ATOM 682 O ALA A 92 -2.096 -9.652 -0.724 1.00 0.00 O ATOM 683 CB ALA A 92 0.514 -8.234 0.889 1.00 0.00 C ATOM 0 H ALA A 92 0.002 -10.886 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.894 -9.328 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.107 -7.254 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.364 -8.447 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.840 -8.240 -0.151 1.00 0.00 H new ATOM 684 N VAL A 93 -2.408 -7.859 0.520 1.00 0.00 N ATOM 685 CA VAL A 93 -3.582 -7.397 -0.269 1.00 0.00 C ATOM 686 C VAL A 93 -3.443 -5.880 -0.435 1.00 0.00 C ATOM 687 O VAL A 93 -3.016 -5.194 0.466 1.00 0.00 O ATOM 688 CB VAL A 93 -4.876 -7.751 0.465 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.066 -7.145 -0.281 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.030 -9.272 0.506 1.00 0.00 C ATOM 0 H VAL A 93 -2.158 -7.251 1.300 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.618 -7.882 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.841 -7.355 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.989 -7.397 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.956 -6.061 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.102 -7.545 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.951 -9.530 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.068 -9.661 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.181 -9.710 1.030 1.00 0.00 H new ATOM 691 N TYR A 94 -3.746 -5.351 -1.586 1.00 0.00 N ATOM 692 CA TYR A 94 -3.556 -3.883 -1.790 1.00 0.00 C ATOM 693 C TYR A 94 -4.850 -3.193 -2.249 1.00 0.00 C ATOM 694 O TYR A 94 -5.796 -3.829 -2.666 1.00 0.00 O ATOM 695 CB TYR A 94 -2.499 -3.676 -2.877 1.00 0.00 C ATOM 696 CG TYR A 94 -1.278 -4.520 -2.631 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.847 -4.798 -1.328 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.561 -5.002 -3.723 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.305 -5.560 -1.123 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.590 -5.764 -3.521 1.00 0.00 C ATOM 701 CZ TYR A 94 1.026 -6.044 -2.220 1.00 0.00 C ATOM 702 OH TYR A 94 2.166 -6.798 -2.018 1.00 0.00 O ATOM 0 H TYR A 94 -4.113 -5.862 -2.389 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.252 -3.448 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.923 -3.924 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.214 -2.625 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.405 -4.423 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.896 -4.786 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.639 -5.776 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.145 -6.138 -4.368 1.00 0.00 H new ATOM 0 HH TYR A 94 2.371 -6.831 -1.060 1.00 0.00 H new ATOM 703 N TYR A 95 -4.876 -1.879 -2.194 1.00 0.00 N ATOM 704 CA TYR A 95 -6.077 -1.116 -2.646 1.00 0.00 C ATOM 705 C TYR A 95 -5.610 0.244 -3.165 1.00 0.00 C ATOM 706 O TYR A 95 -5.013 1.017 -2.443 1.00 0.00 O ATOM 707 CB TYR A 95 -7.033 -0.910 -1.479 1.00 0.00 C ATOM 708 CG TYR A 95 -7.702 -2.215 -1.145 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.991 -3.194 -0.451 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.027 -2.446 -1.531 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.606 -4.412 -0.138 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.644 -3.664 -1.218 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.932 -4.647 -0.521 1.00 0.00 C ATOM 714 OH TYR A 95 -9.538 -5.848 -0.211 1.00 0.00 O ATOM 0 H TYR A 95 -4.107 -1.302 -1.852 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.595 -1.668 -3.430 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.490 -0.535 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.781 -0.160 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.968 -3.013 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.573 -1.686 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.057 -5.171 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.667 -3.844 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.090 -6.250 0.562 1.00 0.00 H new ATOM 715 N CYS A 96 -5.846 0.531 -4.413 1.00 0.00 N ATOM 716 CA CYS A 96 -5.375 1.826 -4.977 1.00 0.00 C ATOM 717 C CYS A 96 -5.928 3.017 -4.190 1.00 0.00 C ATOM 718 O CYS A 96 -6.742 2.866 -3.302 1.00 0.00 O ATOM 719 CB CYS A 96 -5.796 1.943 -6.442 1.00 0.00 C ATOM 720 SG CYS A 96 -4.890 0.748 -7.458 1.00 0.00 S ATOM 0 H CYS A 96 -6.344 -0.073 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.288 1.843 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.868 1.769 -6.534 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.605 2.954 -6.802 1.00 0.00 H new ATOM 721 N ALA A 97 -5.485 4.212 -4.521 1.00 0.00 N ATOM 722 CA ALA A 97 -5.981 5.421 -3.793 1.00 0.00 C ATOM 723 C ALA A 97 -5.214 6.673 -4.264 1.00 0.00 C ATOM 724 O ALA A 97 -4.009 6.743 -4.162 1.00 0.00 O ATOM 725 CB ALA A 97 -5.744 5.235 -2.292 1.00 0.00 C ATOM 0 H ALA A 97 -4.806 4.398 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.044 5.548 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.103 6.113 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.282 4.353 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.678 5.107 -2.105 1.00 0.00 H new ATOM 726 N ARG A 98 -5.893 7.672 -4.758 1.00 0.00 N ATOM 727 CA ARG A 98 -5.179 8.900 -5.215 1.00 0.00 C ATOM 728 C ARG A 98 -4.817 9.762 -4.010 1.00 0.00 C ATOM 729 O ARG A 98 -5.065 9.396 -2.880 1.00 0.00 O ATOM 730 CB ARG A 98 -6.084 9.703 -6.148 1.00 0.00 C ATOM 731 CG ARG A 98 -5.738 9.379 -7.603 1.00 0.00 C ATOM 732 CD ARG A 98 -6.028 10.598 -8.480 1.00 0.00 C ATOM 733 NE ARG A 98 -7.500 10.723 -8.688 1.00 0.00 N ATOM 734 CZ ARG A 98 -7.968 11.640 -9.489 1.00 0.00 C ATOM 735 NH1 ARG A 98 -7.210 12.139 -10.426 1.00 0.00 N ATOM 736 NH2 ARG A 98 -9.196 12.062 -9.352 1.00 0.00 N ATOM 0 H ARG A 98 -6.907 7.692 -4.865 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.272 8.608 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.129 9.465 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.959 10.770 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.687 9.101 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.322 8.524 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.639 11.500 -8.007 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -5.522 10.497 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.140 10.092 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.250 11.812 -10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.578 12.856 -11.051 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.790 11.675 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.562 12.779 -9.978 1.00 0.00 H new ATOM 737 N LEU A 99 -4.233 10.909 -4.237 1.00 0.00 N ATOM 738 CA LEU A 99 -3.868 11.783 -3.082 1.00 0.00 C ATOM 739 C LEU A 99 -3.196 13.082 -3.553 1.00 0.00 C ATOM 740 O LEU A 99 -2.000 13.245 -3.466 1.00 0.00 O ATOM 741 CB LEU A 99 -2.943 11.019 -2.110 1.00 0.00 C ATOM 742 CG LEU A 99 -1.597 10.605 -2.753 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.675 10.565 -4.285 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.508 11.587 -2.318 1.00 0.00 C ATOM 0 H LEU A 99 -3.995 11.275 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.786 12.055 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.746 11.644 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.458 10.127 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.359 9.597 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.707 10.270 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.433 9.844 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.940 11.553 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.442 11.300 -2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.774 12.593 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.415 11.569 -1.232 1.00 0.00 H new ATOM 745 N LYS A 100 -3.962 14.020 -4.035 1.00 0.00 N ATOM 746 CA LYS A 100 -3.360 15.312 -4.484 1.00 0.00 C ATOM 747 C LYS A 100 -4.396 16.428 -4.337 1.00 0.00 C ATOM 748 O LYS A 100 -4.269 17.488 -4.916 1.00 0.00 O ATOM 749 CB LYS A 100 -2.891 15.229 -5.945 1.00 0.00 C ATOM 750 CG LYS A 100 -3.395 13.946 -6.613 1.00 0.00 C ATOM 751 CD LYS A 100 -4.822 14.160 -7.117 1.00 0.00 C ATOM 752 CE LYS A 100 -4.798 15.072 -8.345 1.00 0.00 C ATOM 753 NZ LYS A 100 -5.173 16.457 -7.943 1.00 0.00 N ATOM 0 H LYS A 100 -4.974 13.951 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.490 15.524 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.253 16.097 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.802 15.259 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.742 13.675 -7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.369 13.119 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.277 13.202 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.433 14.605 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.805 15.069 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.491 14.701 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.904 16.820 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.542 16.448 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.335 17.071 -7.990 1.00 0.00 H new ATOM 754 N LYS A 101 -5.416 16.197 -3.555 1.00 0.00 N ATOM 755 CA LYS A 101 -6.463 17.239 -3.352 1.00 0.00 C ATOM 756 C LYS A 101 -7.320 17.365 -4.606 1.00 0.00 C ATOM 757 O LYS A 101 -6.815 17.492 -5.700 1.00 0.00 O ATOM 758 CB LYS A 101 -5.802 18.587 -3.042 1.00 0.00 C ATOM 759 CG LYS A 101 -6.818 19.517 -2.376 1.00 0.00 C ATOM 760 CD LYS A 101 -6.084 20.523 -1.484 1.00 0.00 C ATOM 761 CE LYS A 101 -5.923 21.848 -2.231 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.247 22.523 -2.337 1.00 0.00 N ATOM 0 H LYS A 101 -5.570 15.327 -3.046 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.096 16.947 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.944 18.440 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.427 19.039 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.397 20.043 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.524 18.936 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.641 20.680 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.106 20.131 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.216 22.490 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.513 21.670 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.108 23.551 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.743 22.183 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.815 22.307 -1.493 1.00 0.00 H new ATOM 763 N TYR A 102 -8.620 17.306 -4.443 1.00 0.00 N ATOM 764 CA TYR A 102 -9.547 17.395 -5.612 1.00 0.00 C ATOM 765 C TYR A 102 -9.632 16.029 -6.287 1.00 0.00 C ATOM 766 O TYR A 102 -10.551 15.750 -7.030 1.00 0.00 O ATOM 767 CB TYR A 102 -9.034 18.422 -6.629 1.00 0.00 C ATOM 768 CG TYR A 102 -10.081 18.650 -7.696 1.00 0.00 C ATOM 769 CD1 TYR A 102 -10.307 17.677 -8.683 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.820 19.840 -7.707 1.00 0.00 C ATOM 771 CE1 TYR A 102 -11.270 17.896 -9.674 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.782 20.059 -8.702 1.00 0.00 C ATOM 773 CZ TYR A 102 -12.006 19.088 -9.685 1.00 0.00 C ATOM 774 OH TYR A 102 -12.952 19.305 -10.666 1.00 0.00 O ATOM 0 H TYR A 102 -9.082 17.199 -3.540 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.530 17.707 -5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.802 19.361 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.109 18.067 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.737 16.759 -8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.648 20.589 -6.948 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -11.446 17.146 -10.431 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.351 20.977 -8.710 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.372 20.180 -10.528 1.00 0.00 H new ATOM 775 N ALA A 103 -8.675 15.175 -6.052 1.00 0.00 N ATOM 776 CA ALA A 103 -8.701 13.853 -6.704 1.00 0.00 C ATOM 777 C ALA A 103 -8.364 12.766 -5.690 1.00 0.00 C ATOM 778 O ALA A 103 -7.733 11.782 -6.017 1.00 0.00 O ATOM 779 CB ALA A 103 -7.657 13.857 -7.809 1.00 0.00 C ATOM 0 H ALA A 103 -7.880 15.343 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.692 13.654 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.654 12.889 -8.310 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.894 14.638 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.673 14.046 -7.379 1.00 0.00 H new ATOM 780 N PHE A 104 -8.781 12.918 -4.467 1.00 0.00 N ATOM 781 CA PHE A 104 -8.471 11.867 -3.467 1.00 0.00 C ATOM 782 C PHE A 104 -9.753 11.415 -2.767 1.00 0.00 C ATOM 783 O PHE A 104 -10.327 12.141 -1.980 1.00 0.00 O ATOM 784 CB PHE A 104 -7.488 12.401 -2.429 1.00 0.00 C ATOM 785 CG PHE A 104 -6.932 11.249 -1.617 1.00 0.00 C ATOM 786 CD1 PHE A 104 -7.359 9.932 -1.862 1.00 0.00 C ATOM 787 CD2 PHE A 104 -5.986 11.499 -0.619 1.00 0.00 C ATOM 788 CE1 PHE A 104 -6.840 8.876 -1.112 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.465 10.438 0.131 1.00 0.00 C ATOM 790 CZ PHE A 104 -5.892 9.128 -0.118 1.00 0.00 C ATOM 0 H PHE A 104 -9.316 13.714 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.022 11.018 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.677 12.936 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.987 13.114 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.090 9.737 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.657 12.510 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.171 7.865 -1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.733 10.630 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.487 8.310 0.460 1.00 0.00 H new ATOM 791 N ASP A 105 -10.189 10.214 -3.046 1.00 0.00 N ATOM 792 CA ASP A 105 -11.429 9.683 -2.404 1.00 0.00 C ATOM 793 C ASP A 105 -12.021 8.581 -3.285 1.00 0.00 C ATOM 794 O ASP A 105 -13.223 8.471 -3.433 1.00 0.00 O ATOM 795 CB ASP A 105 -12.461 10.802 -2.246 1.00 0.00 C ATOM 796 CG ASP A 105 -12.550 11.208 -0.773 1.00 0.00 C ATOM 797 OD1 ASP A 105 -12.166 10.408 0.064 1.00 0.00 O ATOM 798 OD2 ASP A 105 -13.003 12.308 -0.507 1.00 0.00 O ATOM 0 H ASP A 105 -9.735 9.573 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.177 9.284 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.178 11.661 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.435 10.466 -2.601 1.00 0.00 H new ATOM 799 N TYR A 106 -11.191 7.764 -3.875 1.00 0.00 N ATOM 800 CA TYR A 106 -11.720 6.677 -4.747 1.00 0.00 C ATOM 801 C TYR A 106 -10.862 5.417 -4.581 1.00 0.00 C ATOM 802 O TYR A 106 -10.360 5.132 -3.511 1.00 0.00 O ATOM 803 CB TYR A 106 -11.694 7.124 -6.216 1.00 0.00 C ATOM 804 CG TYR A 106 -11.707 8.629 -6.307 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.909 9.336 -6.170 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.514 9.315 -6.542 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.911 10.733 -6.268 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.516 10.707 -6.642 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.714 11.419 -6.505 1.00 0.00 C ATOM 810 OH TYR A 106 -11.714 12.796 -6.606 1.00 0.00 O ATOM 0 H TYR A 106 -10.175 7.802 -3.792 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.747 6.458 -4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.803 6.731 -6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.555 6.714 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.832 8.805 -5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.589 8.768 -6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.836 11.281 -6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.592 11.236 -6.825 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.434 13.165 -6.053 1.00 0.00 H new ATOM 811 N TRP A 107 -10.696 4.662 -5.632 1.00 0.00 N ATOM 812 CA TRP A 107 -9.881 3.417 -5.547 1.00 0.00 C ATOM 813 C TRP A 107 -10.394 2.542 -4.402 1.00 0.00 C ATOM 814 O TRP A 107 -10.130 2.802 -3.245 1.00 0.00 O ATOM 815 CB TRP A 107 -8.420 3.774 -5.306 1.00 0.00 C ATOM 816 CG TRP A 107 -8.035 4.918 -6.185 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.226 6.213 -5.876 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.417 4.900 -7.506 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.726 6.998 -6.891 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.233 6.235 -7.932 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.996 3.869 -8.365 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.655 6.534 -9.167 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.415 4.169 -9.606 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.247 5.498 -10.005 1.00 0.00 C ATOM 0 H TRP A 107 -11.092 4.855 -6.552 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.966 2.868 -6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.267 4.038 -4.260 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.785 2.913 -5.513 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.697 6.579 -4.975 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.720 8.018 -6.876 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.121 2.839 -8.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.525 7.562 -9.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.096 3.369 -10.257 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.801 5.722 -10.963 1.00 0.00 H new ATOM 825 N GLY A 108 -11.126 1.506 -4.714 1.00 0.00 N ATOM 826 CA GLY A 108 -11.655 0.620 -3.638 1.00 0.00 C ATOM 827 C GLY A 108 -12.116 -0.713 -4.232 1.00 0.00 C ATOM 828 O GLY A 108 -13.270 -0.888 -4.569 1.00 0.00 O ATOM 0 H GLY A 108 -11.380 1.236 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.883 0.445 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.487 1.108 -3.131 1.00 0.00 H new ATOM 829 N GLN A 109 -11.223 -1.660 -4.353 1.00 0.00 N ATOM 830 CA GLN A 109 -11.610 -2.987 -4.912 1.00 0.00 C ATOM 831 C GLN A 109 -10.911 -4.087 -4.110 1.00 0.00 C ATOM 832 O GLN A 109 -11.536 -4.826 -3.376 1.00 0.00 O ATOM 833 CB GLN A 109 -11.187 -3.073 -6.380 1.00 0.00 C ATOM 834 CG GLN A 109 -11.964 -4.197 -7.068 1.00 0.00 C ATOM 835 CD GLN A 109 -10.982 -5.208 -7.661 1.00 0.00 C ATOM 836 OE1 GLN A 109 -9.924 -4.778 -8.294 1.00 0.00 O flip ATOM 837 NE2 GLN A 109 -11.177 -6.402 -7.547 1.00 0.00 N flip ATOM 0 H GLN A 109 -10.242 -1.571 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.691 -3.112 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.378 -2.124 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.116 -3.260 -6.451 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -12.622 -4.690 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.599 -3.787 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -12.003 -6.739 -7.053 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.514 -7.067 -7.946 1.00 0.00 H new ATOM 838 N GLY A 110 -9.615 -4.192 -4.234 1.00 0.00 N ATOM 839 CA GLY A 110 -8.879 -5.234 -3.466 1.00 0.00 C ATOM 840 C GLY A 110 -8.032 -6.091 -4.410 1.00 0.00 C ATOM 841 O GLY A 110 -8.535 -6.707 -5.328 1.00 0.00 O ATOM 0 H GLY A 110 -9.037 -3.602 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.239 -4.762 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.586 -5.865 -2.927 1.00 0.00 H new ATOM 842 N THR A 111 -6.750 -6.154 -4.169 1.00 0.00 N ATOM 843 CA THR A 111 -5.862 -6.986 -5.017 1.00 0.00 C ATOM 844 C THR A 111 -4.906 -7.708 -4.074 1.00 0.00 C ATOM 845 O THR A 111 -5.222 -7.902 -2.917 1.00 0.00 O ATOM 846 CB THR A 111 -5.086 -6.100 -5.991 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.488 -6.910 -6.993 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.004 -5.344 -5.230 1.00 0.00 C ATOM 0 H THR A 111 -6.280 -5.658 -3.412 1.00 0.00 H new ATOM 0 HA THR A 111 -6.435 -7.700 -5.609 1.00 0.00 H new ATOM 0 HB THR A 111 -5.765 -5.388 -6.461 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.992 -6.343 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.448 -4.711 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.465 -4.724 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.323 -6.056 -4.762 1.00 0.00 H new ATOM 849 N LEU A 112 -3.747 -8.111 -4.514 1.00 0.00 N ATOM 850 CA LEU A 112 -2.857 -8.816 -3.557 1.00 0.00 C ATOM 851 C LEU A 112 -1.525 -9.211 -4.189 1.00 0.00 C ATOM 852 O LEU A 112 -1.136 -8.743 -5.239 1.00 0.00 O ATOM 853 CB LEU A 112 -3.565 -10.090 -3.129 1.00 0.00 C ATOM 854 CG LEU A 112 -3.624 -10.994 -4.349 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.538 -12.067 -4.232 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.000 -11.652 -4.441 1.00 0.00 C ATOM 0 H LEU A 112 -3.388 -7.988 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.650 -8.147 -2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.027 -10.575 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.568 -9.870 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.456 -10.404 -5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.575 -12.719 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.560 -11.590 -4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.705 -12.657 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.036 -12.299 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.180 -12.245 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.767 -10.882 -4.527 1.00 0.00 H new ATOM 857 N VAL A 113 -0.843 -10.099 -3.516 1.00 0.00 N ATOM 858 CA VAL A 113 0.473 -10.606 -3.978 1.00 0.00 C ATOM 859 C VAL A 113 0.692 -11.978 -3.342 1.00 0.00 C ATOM 860 O VAL A 113 0.722 -12.106 -2.130 1.00 0.00 O ATOM 861 CB VAL A 113 1.553 -9.656 -3.485 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.568 -8.402 -4.352 1.00 0.00 C ATOM 863 CG2 VAL A 113 1.222 -9.279 -2.047 1.00 0.00 C ATOM 0 H VAL A 113 -1.159 -10.505 -2.635 1.00 0.00 H new ATOM 0 HA VAL A 113 0.507 -10.677 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 113 2.532 -10.131 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.343 -7.723 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.774 -8.677 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.598 -7.908 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.982 -8.596 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.247 -8.792 -2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.200 -10.178 -1.431 1.00 0.00 H new ATOM 864 N THR A 114 0.830 -13.007 -4.128 1.00 0.00 N ATOM 865 CA THR A 114 1.028 -14.359 -3.539 1.00 0.00 C ATOM 866 C THR A 114 2.498 -14.763 -3.647 1.00 0.00 C ATOM 867 O THR A 114 2.988 -15.076 -4.711 1.00 0.00 O ATOM 868 CB THR A 114 0.165 -15.372 -4.290 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.043 -14.745 -4.703 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.153 -16.547 -3.366 1.00 0.00 C ATOM 0 H THR A 114 0.814 -12.972 -5.147 1.00 0.00 H new ATOM 0 HA THR A 114 0.738 -14.339 -2.488 1.00 0.00 H new ATOM 0 HB THR A 114 0.701 -15.736 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.598 -15.392 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.769 -17.272 -3.898 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.775 -17.022 -3.049 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.693 -16.186 -2.491 1.00 0.00 H new ATOM 871 N VAL A 115 3.202 -14.765 -2.549 1.00 0.00 N ATOM 872 CA VAL A 115 4.640 -15.157 -2.598 1.00 0.00 C ATOM 873 C VAL A 115 4.760 -16.561 -3.194 1.00 0.00 C ATOM 874 O VAL A 115 4.680 -17.549 -2.491 1.00 0.00 O ATOM 875 CB VAL A 115 5.235 -15.167 -1.190 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.751 -13.773 -0.831 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.164 -15.595 -0.181 1.00 0.00 C ATOM 0 H VAL A 115 2.848 -14.514 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 115 5.181 -14.437 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 115 6.065 -15.873 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.173 -13.789 0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.520 -13.475 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.928 -13.060 -0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.591 -15.601 0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.330 -14.894 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.808 -16.595 -0.430 1.00 0.00 H new ATOM 878 N SER A 116 4.951 -16.662 -4.480 1.00 0.00 N ATOM 879 CA SER A 116 5.076 -18.008 -5.107 1.00 0.00 C ATOM 880 C SER A 116 6.046 -18.860 -4.283 1.00 0.00 C ATOM 881 O SER A 116 6.896 -18.347 -3.583 1.00 0.00 O ATOM 882 CB SER A 116 5.603 -17.855 -6.536 1.00 0.00 C ATOM 883 OG SER A 116 6.580 -18.854 -6.790 1.00 0.00 O ATOM 0 H SER A 116 5.026 -15.873 -5.123 1.00 0.00 H new ATOM 0 HA SER A 116 4.101 -18.495 -5.135 1.00 0.00 H new ATOM 0 HB2 SER A 116 4.783 -17.944 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.037 -16.864 -6.671 1.00 0.00 H new ATOM 0 HG SER A 116 6.684 -18.972 -7.757 1.00 0.00 H new ATOM 884 N SER A 117 5.927 -20.159 -4.359 1.00 0.00 N ATOM 885 CA SER A 117 6.845 -21.036 -3.578 1.00 0.00 C ATOM 886 C SER A 117 6.495 -22.505 -3.832 1.00 0.00 C ATOM 887 O SER A 117 7.231 -23.360 -3.364 1.00 0.00 O ATOM 888 CB SER A 117 6.702 -20.723 -2.086 1.00 0.00 C ATOM 889 OG SER A 117 6.677 -21.938 -1.347 1.00 0.00 O ATOM 890 OXT SER A 117 5.496 -22.751 -4.488 1.00 0.00 O ATOM 0 H SER A 117 5.236 -20.649 -4.927 1.00 0.00 H new ATOM 0 HA SER A 117 7.873 -20.853 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.532 -20.099 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.787 -20.158 -1.908 1.00 0.00 H new ATOM 0 HG SER A 117 6.587 -21.738 -0.392 1.00 0.00 H new TER 891 SER A 117