USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot -123:sc= 1.13 USER MOD Set 2.1: A 56 SER OG : rot 82:sc= 1.43 USER MOD Set 2.2: A 85 MET CE :methyl -138:sc= -1.59 (180deg=-3.25!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -65:sc= 1.08 USER MOD Single : A 16 THR OG1 : rot -5:sc= 0.995 USER MOD Single : A 17 MET CE :methyl -178:sc= -0.125 (180deg=-0.135) USER MOD Single : A 23 ASN : amide:sc= -0.0747 X(o=-0.075,f=-0.4) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.424 K(o=-0.42,f=-3.1) USER MOD Single : A 32 ASN : amide:sc= -0.945 K(o=-0.95,f=-3) USER MOD Single : A 44 ASN : amide:sc= 0.334 X(o=0.33,f=-0.038) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.97 USER MOD Single : A 59 ASN :FLIP amide:sc= -3.89! C(o=-6.1!,f=-3.9!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -3.33! C(o=-7.6!,f=-3.3!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 62:sc= 1.14 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.442 USER MOD Single : A 87 THR OG1 : rot 170:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= -1.12 (180deg=-1.26) USER MOD Single : A 92 LYS NZ :NH3+ 151:sc= -0.0365 (180deg=-0.372) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.584! C(o=-3.7!,f=-0.58!) USER MOD Single : A 100 GLN :FLIP amide:sc=-0.00942 F(o=-1.8!,f=-0.0094) USER MOD Single : A 104 SER OG : rot -74:sc= -5.72! USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0545 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= -4.95! (180deg=-4.95!) USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= 0.889 (180deg=-1.24!) USER MOD Single : A 121 ASN : amide:sc= -0.0833 K(o=-0.083,f=-2.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -175:sc= -0.151 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.556 0.910 8.769 1.00 0.00 N ATOM 2 CA ALA A 2 -13.333 1.589 9.284 1.00 0.00 C ATOM 3 C ALA A 2 -13.172 2.935 8.583 1.00 0.00 C ATOM 4 O ALA A 2 -12.339 3.092 7.715 1.00 0.00 O ATOM 5 CB ALA A 2 -12.104 0.716 8.999 1.00 0.00 C ATOM 0 HA ALA A 2 -13.426 1.744 10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.210 1.213 9.376 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.220 -0.248 9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.008 0.562 7.924 1.00 0.00 H new ATOM 11 N ASP A 3 -13.969 3.909 8.941 1.00 0.00 N ATOM 12 CA ASP A 3 -13.857 5.236 8.273 1.00 0.00 C ATOM 13 C ASP A 3 -13.906 5.016 6.762 1.00 0.00 C ATOM 14 O ASP A 3 -12.913 4.710 6.144 1.00 0.00 O ATOM 15 CB ASP A 3 -12.525 5.894 8.655 1.00 0.00 C ATOM 16 CG ASP A 3 -12.659 7.415 8.554 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.418 7.975 9.328 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.002 7.993 7.705 1.00 0.00 O ATOM 0 H ASP A 3 -14.687 3.842 9.662 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.674 5.886 8.586 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.245 5.610 9.669 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.732 5.544 7.995 1.00 0.00 H new ATOM 23 N LYS A 4 -15.051 5.147 6.154 1.00 0.00 N ATOM 24 CA LYS A 4 -15.121 4.912 4.687 1.00 0.00 C ATOM 25 C LYS A 4 -14.440 6.060 3.939 1.00 0.00 C ATOM 26 O LYS A 4 -14.839 6.435 2.854 1.00 0.00 O ATOM 27 CB LYS A 4 -16.579 4.775 4.234 1.00 0.00 C ATOM 28 CG LYS A 4 -17.410 5.949 4.747 1.00 0.00 C ATOM 29 CD LYS A 4 -18.664 6.085 3.881 1.00 0.00 C ATOM 30 CE LYS A 4 -18.394 7.067 2.740 1.00 0.00 C ATOM 31 NZ LYS A 4 -19.599 7.156 1.867 1.00 0.00 N ATOM 0 H LYS A 4 -15.931 5.403 6.603 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.600 3.982 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.626 4.736 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.995 3.838 4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.687 5.788 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.826 6.868 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.948 5.113 3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.500 6.436 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.149 8.050 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.533 6.737 2.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.417 7.824 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.813 6.217 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.410 7.489 2.427 1.00 0.00 H new ATOM 45 N GLU A 5 -13.403 6.604 4.510 1.00 0.00 N ATOM 46 CA GLU A 5 -12.661 7.709 3.851 1.00 0.00 C ATOM 47 C GLU A 5 -11.205 7.630 4.303 1.00 0.00 C ATOM 48 O GLU A 5 -10.535 8.632 4.448 1.00 0.00 O ATOM 49 CB GLU A 5 -13.249 9.058 4.277 1.00 0.00 C ATOM 50 CG GLU A 5 -14.685 9.181 3.764 1.00 0.00 C ATOM 51 CD GLU A 5 -15.101 10.654 3.760 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.697 11.365 4.665 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.815 11.044 2.853 1.00 0.00 O ATOM 0 H GLU A 5 -13.034 6.324 5.419 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.736 7.619 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.232 9.146 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.641 9.872 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.760 8.768 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.359 8.603 4.396 1.00 0.00 H new ATOM 60 N LEU A 6 -10.712 6.442 4.545 1.00 0.00 N ATOM 61 CA LEU A 6 -9.307 6.308 5.007 1.00 0.00 C ATOM 62 C LEU A 6 -8.372 6.765 3.879 1.00 0.00 C ATOM 63 O LEU A 6 -8.657 6.572 2.715 1.00 0.00 O ATOM 64 CB LEU A 6 -9.065 4.845 5.415 1.00 0.00 C ATOM 65 CG LEU A 6 -7.656 4.629 5.989 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.366 5.637 7.100 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.575 3.226 6.582 1.00 0.00 C ATOM 0 H LEU A 6 -11.223 5.565 4.442 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.107 6.935 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.807 4.549 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.205 4.200 4.548 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.928 4.758 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.364 5.467 7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.432 6.649 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.095 5.515 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.579 3.061 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.316 3.123 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.772 2.490 5.803 1.00 0.00 H new ATOM 79 N LYS A 7 -7.290 7.426 4.210 1.00 0.00 N ATOM 80 CA LYS A 7 -6.375 7.954 3.149 1.00 0.00 C ATOM 81 C LYS A 7 -5.424 6.878 2.618 1.00 0.00 C ATOM 82 O LYS A 7 -4.653 6.284 3.358 1.00 0.00 O ATOM 83 CB LYS A 7 -5.551 9.104 3.727 1.00 0.00 C ATOM 84 CG LYS A 7 -6.344 10.407 3.614 1.00 0.00 C ATOM 85 CD LYS A 7 -5.948 11.347 4.753 1.00 0.00 C ATOM 86 CE LYS A 7 -6.498 12.746 4.472 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.391 13.629 4.006 1.00 0.00 N ATOM 0 H LYS A 7 -7.000 7.623 5.168 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.992 8.294 2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.308 8.903 4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.606 9.193 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.149 10.882 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.413 10.199 3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.339 10.974 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.863 11.383 4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.281 12.696 3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.952 13.158 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.763 14.581 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.659 13.685 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.978 13.237 3.136 1.00 0.00 H new ATOM 101 N PHE A 8 -5.462 6.650 1.323 1.00 0.00 N ATOM 102 CA PHE A 8 -4.566 5.648 0.699 1.00 0.00 C ATOM 103 C PHE A 8 -3.578 6.342 -0.222 1.00 0.00 C ATOM 104 O PHE A 8 -3.843 7.399 -0.751 1.00 0.00 O ATOM 105 CB PHE A 8 -5.379 4.680 -0.161 1.00 0.00 C ATOM 106 CG PHE A 8 -6.324 3.881 0.692 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.498 4.471 1.148 1.00 0.00 C ATOM 108 CD2 PHE A 8 -6.024 2.556 1.029 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.381 3.743 1.943 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.907 1.822 1.831 1.00 0.00 C ATOM 111 CZ PHE A 8 -8.088 2.417 2.289 1.00 0.00 C ATOM 0 H PHE A 8 -6.087 7.127 0.673 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.048 5.115 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.940 5.236 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.708 4.009 -0.696 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.725 5.494 0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.113 2.100 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.294 4.202 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.677 0.800 2.095 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.772 1.855 2.908 1.00 0.00 H new ATOM 121 N LEU A 9 -2.453 5.728 -0.434 1.00 0.00 N ATOM 122 CA LEU A 9 -1.445 6.310 -1.356 1.00 0.00 C ATOM 123 C LEU A 9 -1.006 5.217 -2.337 1.00 0.00 C ATOM 124 O LEU A 9 -0.201 4.369 -2.012 1.00 0.00 O ATOM 125 CB LEU A 9 -0.248 6.815 -0.549 1.00 0.00 C ATOM 126 CG LEU A 9 0.890 7.208 -1.493 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.370 8.152 -2.575 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.985 7.910 -0.698 1.00 0.00 C ATOM 0 H LEU A 9 -2.186 4.842 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.868 7.150 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.542 7.673 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.090 6.040 0.139 1.00 0.00 H new ATOM 0 HG LEU A 9 1.290 6.310 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.187 8.426 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.413 7.654 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.036 9.050 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.798 8.191 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.577 8.804 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.365 7.237 0.071 1.00 0.00 H new ATOM 140 N VAL A 10 -1.542 5.218 -3.533 1.00 0.00 N ATOM 141 CA VAL A 10 -1.165 4.168 -4.515 1.00 0.00 C ATOM 142 C VAL A 10 0.042 4.634 -5.337 1.00 0.00 C ATOM 143 O VAL A 10 -0.060 5.501 -6.183 1.00 0.00 O ATOM 144 CB VAL A 10 -2.360 3.888 -5.432 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.600 3.602 -4.585 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.638 5.100 -6.324 1.00 0.00 C ATOM 0 H VAL A 10 -2.222 5.901 -3.866 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.893 3.252 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.127 3.025 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.449 3.403 -5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.417 2.733 -3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.820 4.466 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.489 4.888 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.862 5.966 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.761 5.310 -6.936 1.00 0.00 H new ATOM 156 N VAL A 11 1.191 4.066 -5.084 1.00 0.00 N ATOM 157 CA VAL A 11 2.407 4.472 -5.829 1.00 0.00 C ATOM 158 C VAL A 11 2.658 3.511 -6.989 1.00 0.00 C ATOM 159 O VAL A 11 3.642 2.799 -7.018 1.00 0.00 O ATOM 160 CB VAL A 11 3.610 4.467 -4.886 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.863 4.903 -5.647 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.348 5.445 -3.744 1.00 0.00 C ATOM 0 H VAL A 11 1.335 3.334 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 11 2.262 5.476 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 11 3.761 3.463 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.719 4.898 -4.972 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.047 4.213 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.718 5.909 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.201 5.449 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.202 6.446 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.454 5.139 -3.201 1.00 0.00 H new ATOM 172 N ASP A 12 1.780 3.493 -7.952 1.00 0.00 N ATOM 173 CA ASP A 12 1.973 2.586 -9.117 1.00 0.00 C ATOM 174 C ASP A 12 2.790 3.316 -10.184 1.00 0.00 C ATOM 175 O ASP A 12 3.728 4.027 -9.880 1.00 0.00 O ATOM 176 CB ASP A 12 0.609 2.193 -9.686 1.00 0.00 C ATOM 177 CG ASP A 12 -0.139 3.452 -10.130 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.119 3.913 -11.229 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.957 3.932 -9.362 1.00 0.00 O ATOM 0 H ASP A 12 0.937 4.067 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 12 2.502 1.686 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.737 1.516 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.029 1.659 -8.934 1.00 0.00 H new ATOM 184 N ASP A 13 2.441 3.154 -11.430 1.00 0.00 N ATOM 185 CA ASP A 13 3.200 3.845 -12.511 1.00 0.00 C ATOM 186 C ASP A 13 2.475 3.648 -13.844 1.00 0.00 C ATOM 187 O ASP A 13 2.484 4.509 -14.700 1.00 0.00 O ATOM 188 CB ASP A 13 4.607 3.251 -12.607 1.00 0.00 C ATOM 189 CG ASP A 13 5.522 4.222 -13.357 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.025 5.236 -13.820 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.703 3.935 -13.455 1.00 0.00 O ATOM 0 H ASP A 13 1.664 2.574 -11.747 1.00 0.00 H new ATOM 0 HA ASP A 13 3.269 4.909 -12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.002 3.061 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.574 2.292 -13.125 1.00 0.00 H new ATOM 196 N PHE A 14 1.849 2.517 -14.025 1.00 0.00 N ATOM 197 CA PHE A 14 1.127 2.259 -15.303 1.00 0.00 C ATOM 198 C PHE A 14 0.074 3.345 -15.530 1.00 0.00 C ATOM 199 O PHE A 14 -0.382 3.987 -14.604 1.00 0.00 O ATOM 200 CB PHE A 14 0.448 0.889 -15.236 1.00 0.00 C ATOM 201 CG PHE A 14 1.081 -0.033 -16.251 1.00 0.00 C ATOM 202 CD1 PHE A 14 2.350 -0.571 -16.008 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.402 -0.346 -17.434 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.942 -1.423 -16.949 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.993 -1.199 -18.375 1.00 0.00 C ATOM 206 CZ PHE A 14 2.263 -1.737 -18.132 1.00 0.00 C ATOM 0 H PHE A 14 1.806 1.760 -13.343 1.00 0.00 H new ATOM 0 HA PHE A 14 1.838 2.272 -16.129 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.548 0.470 -14.235 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.619 0.989 -15.435 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.873 -0.329 -15.095 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.577 0.070 -17.621 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.922 -1.837 -16.762 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.469 -1.442 -19.288 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.719 -2.394 -18.858 1.00 0.00 H new ATOM 216 N SER A 15 -0.312 3.559 -16.758 1.00 0.00 N ATOM 217 CA SER A 15 -1.332 4.606 -17.050 1.00 0.00 C ATOM 218 C SER A 15 -2.731 3.987 -17.017 1.00 0.00 C ATOM 219 O SER A 15 -3.583 4.315 -17.819 1.00 0.00 O ATOM 220 CB SER A 15 -1.072 5.198 -18.437 1.00 0.00 C ATOM 221 OG SER A 15 -2.161 6.034 -18.802 1.00 0.00 O ATOM 0 H SER A 15 0.035 3.053 -17.573 1.00 0.00 H new ATOM 0 HA SER A 15 -1.266 5.392 -16.298 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.145 5.771 -18.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.950 4.400 -19.169 1.00 0.00 H new ATOM 0 HG SER A 15 -2.973 5.492 -18.894 1.00 0.00 H new ATOM 227 N THR A 16 -2.977 3.097 -16.095 1.00 0.00 N ATOM 228 CA THR A 16 -4.323 2.462 -16.012 1.00 0.00 C ATOM 229 C THR A 16 -4.384 1.555 -14.783 1.00 0.00 C ATOM 230 O THR A 16 -5.364 0.878 -14.547 1.00 0.00 O ATOM 231 CB THR A 16 -4.577 1.631 -17.273 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.715 0.805 -17.071 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.355 0.759 -17.567 1.00 0.00 C ATOM 0 H THR A 16 -2.304 2.782 -15.396 1.00 0.00 H new ATOM 0 HA THR A 16 -5.085 3.237 -15.930 1.00 0.00 H new ATOM 0 HB THR A 16 -4.756 2.296 -18.118 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.030 0.902 -16.148 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.537 0.168 -18.465 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.483 1.395 -17.722 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.173 0.092 -16.724 1.00 0.00 H new ATOM 241 N MET A 17 -3.343 1.538 -13.994 1.00 0.00 N ATOM 242 CA MET A 17 -3.344 0.678 -12.779 1.00 0.00 C ATOM 243 C MET A 17 -4.044 1.417 -11.637 1.00 0.00 C ATOM 244 O MET A 17 -4.696 0.821 -10.803 1.00 0.00 O ATOM 245 CB MET A 17 -1.901 0.362 -12.377 1.00 0.00 C ATOM 246 CG MET A 17 -1.899 -0.508 -11.119 1.00 0.00 C ATOM 247 SD MET A 17 -0.457 -1.602 -11.146 1.00 0.00 S ATOM 248 CE MET A 17 -1.186 -2.914 -12.156 1.00 0.00 C ATOM 0 H MET A 17 -2.493 2.083 -14.140 1.00 0.00 H new ATOM 0 HA MET A 17 -3.873 -0.252 -12.989 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.391 -0.155 -13.190 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.353 1.286 -12.193 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.876 0.121 -10.229 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.815 -1.097 -11.069 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.468 -3.725 -12.272 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.085 -3.292 -11.668 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.446 -2.516 -13.137 1.00 0.00 H new ATOM 258 N ARG A 18 -3.914 2.714 -11.595 1.00 0.00 N ATOM 259 CA ARG A 18 -4.575 3.494 -10.509 1.00 0.00 C ATOM 260 C ARG A 18 -6.091 3.397 -10.667 1.00 0.00 C ATOM 261 O ARG A 18 -6.810 3.135 -9.723 1.00 0.00 O ATOM 262 CB ARG A 18 -4.173 4.973 -10.587 1.00 0.00 C ATOM 263 CG ARG A 18 -2.974 5.160 -11.524 1.00 0.00 C ATOM 264 CD ARG A 18 -3.444 5.096 -12.981 1.00 0.00 C ATOM 265 NE ARG A 18 -3.643 6.475 -13.504 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.628 6.722 -14.324 1.00 0.00 C ATOM 267 NH1 ARG A 18 -5.100 5.768 -15.080 1.00 0.00 N ATOM 268 NH2 ARG A 18 -5.141 7.919 -14.389 1.00 0.00 N ATOM 0 H ARG A 18 -3.380 3.268 -12.264 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.262 3.083 -9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.015 5.566 -10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.924 5.340 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.493 6.118 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.230 4.386 -11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.708 4.569 -13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.375 4.533 -13.049 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.012 7.225 -13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.699 4.831 -15.029 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.870 5.959 -15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.773 8.665 -13.798 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.911 8.110 -15.031 1.00 0.00 H new ATOM 282 N ARG A 19 -6.582 3.626 -11.853 1.00 0.00 N ATOM 283 CA ARG A 19 -8.053 3.570 -12.074 1.00 0.00 C ATOM 284 C ARG A 19 -8.598 2.211 -11.632 1.00 0.00 C ATOM 285 O ARG A 19 -9.740 2.091 -11.233 1.00 0.00 O ATOM 286 CB ARG A 19 -8.354 3.782 -13.560 1.00 0.00 C ATOM 287 CG ARG A 19 -9.829 4.148 -13.736 1.00 0.00 C ATOM 288 CD ARG A 19 -10.288 3.763 -15.144 1.00 0.00 C ATOM 289 NE ARG A 19 -9.135 3.850 -16.083 1.00 0.00 N ATOM 290 CZ ARG A 19 -9.335 3.776 -17.371 1.00 0.00 C ATOM 291 NH1 ARG A 19 -10.506 3.431 -17.830 1.00 0.00 N ATOM 292 NH2 ARG A 19 -8.363 4.048 -18.198 1.00 0.00 N ATOM 0 H ARG A 19 -6.027 3.850 -12.679 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.532 4.354 -11.487 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.722 4.574 -13.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.124 2.876 -14.121 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.434 3.631 -12.991 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.971 5.217 -13.576 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.694 2.751 -15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.088 4.427 -15.471 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.189 3.967 -15.720 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.265 3.219 -17.183 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.663 3.373 -18.836 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.448 4.318 -17.838 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.519 3.990 -19.204 1.00 0.00 H new ATOM 306 N ILE A 20 -7.797 1.185 -11.703 1.00 0.00 N ATOM 307 CA ILE A 20 -8.275 -0.165 -11.292 1.00 0.00 C ATOM 308 C ILE A 20 -8.522 -0.187 -9.781 1.00 0.00 C ATOM 309 O ILE A 20 -9.594 -0.530 -9.320 1.00 0.00 O ATOM 310 CB ILE A 20 -7.212 -1.208 -11.664 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.487 -1.728 -13.076 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.247 -2.381 -10.678 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.269 -2.503 -13.583 1.00 0.00 C ATOM 0 H ILE A 20 -6.831 1.223 -12.028 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.208 -0.397 -11.805 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.228 -0.740 -11.623 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.366 -2.373 -13.072 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.706 -0.896 -13.745 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.488 -3.112 -10.955 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.048 -2.015 -9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.230 -2.851 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.466 -2.873 -14.589 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.401 -1.844 -13.602 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.071 -3.345 -12.919 1.00 0.00 H new ATOM 325 N VAL A 21 -7.533 0.160 -9.006 1.00 0.00 N ATOM 326 CA VAL A 21 -7.705 0.139 -7.525 1.00 0.00 C ATOM 327 C VAL A 21 -8.669 1.244 -7.081 1.00 0.00 C ATOM 328 O VAL A 21 -9.422 1.076 -6.143 1.00 0.00 O ATOM 329 CB VAL A 21 -6.352 0.341 -6.842 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.011 -0.899 -6.016 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.267 0.556 -7.898 1.00 0.00 C ATOM 0 H VAL A 21 -6.614 0.457 -9.333 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.119 -0.828 -7.239 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.404 1.215 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.047 -0.757 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.781 -1.056 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.962 -1.770 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.305 0.700 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.215 -0.316 -8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.507 1.438 -8.491 1.00 0.00 H new ATOM 341 N ARG A 22 -8.657 2.373 -7.736 1.00 0.00 N ATOM 342 CA ARG A 22 -9.579 3.473 -7.328 1.00 0.00 C ATOM 343 C ARG A 22 -11.002 2.928 -7.219 1.00 0.00 C ATOM 344 O ARG A 22 -11.645 3.038 -6.194 1.00 0.00 O ATOM 345 CB ARG A 22 -9.545 4.579 -8.380 1.00 0.00 C ATOM 346 CG ARG A 22 -8.749 5.771 -7.846 1.00 0.00 C ATOM 347 CD ARG A 22 -8.641 6.841 -8.933 1.00 0.00 C ATOM 348 NE ARG A 22 -9.292 8.095 -8.461 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.406 8.498 -9.008 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.500 8.586 -10.307 1.00 0.00 N ATOM 351 NH2 ARG A 22 -11.426 8.811 -8.257 1.00 0.00 N ATOM 0 H ARG A 22 -8.053 2.581 -8.531 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.264 3.873 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.090 4.207 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.560 4.889 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.238 6.182 -6.963 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.754 5.449 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.594 7.029 -9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.118 6.493 -9.849 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.867 8.639 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.703 8.340 -10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.371 8.901 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.353 8.741 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.297 9.126 -8.685 1.00 0.00 H new ATOM 365 N ASN A 23 -11.491 2.327 -8.266 1.00 0.00 N ATOM 366 CA ASN A 23 -12.853 1.759 -8.242 1.00 0.00 C ATOM 367 C ASN A 23 -12.938 0.743 -7.116 1.00 0.00 C ATOM 368 O ASN A 23 -13.743 0.850 -6.212 1.00 0.00 O ATOM 369 CB ASN A 23 -13.062 1.047 -9.564 1.00 0.00 C ATOM 370 CG ASN A 23 -14.445 1.378 -10.128 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.839 2.527 -10.166 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.205 0.414 -10.571 1.00 0.00 N ATOM 0 H ASN A 23 -10.992 2.207 -9.147 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.603 2.535 -8.091 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.290 1.347 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.966 -0.030 -9.425 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.129 0.625 -10.949 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.875 -0.551 -10.540 1.00 0.00 H new ATOM 379 N LEU A 24 -12.095 -0.245 -7.187 1.00 0.00 N ATOM 380 CA LEU A 24 -12.070 -1.312 -6.143 1.00 0.00 C ATOM 381 C LEU A 24 -12.263 -0.690 -4.757 1.00 0.00 C ATOM 382 O LEU A 24 -13.228 -0.965 -4.072 1.00 0.00 O ATOM 383 CB LEU A 24 -10.712 -2.013 -6.204 1.00 0.00 C ATOM 384 CG LEU A 24 -10.686 -3.226 -5.261 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.175 -4.446 -6.025 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.751 -2.961 -4.074 1.00 0.00 C ATOM 0 H LEU A 24 -11.411 -0.363 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.874 -2.026 -6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.509 -2.335 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.923 -1.314 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.696 -3.404 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.155 -5.309 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.836 -4.652 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.169 -4.249 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.744 -3.830 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.741 -2.775 -4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.103 -2.090 -3.521 1.00 0.00 H new ATOM 398 N LEU A 25 -11.356 0.153 -4.340 1.00 0.00 N ATOM 399 CA LEU A 25 -11.494 0.795 -3.001 1.00 0.00 C ATOM 400 C LEU A 25 -12.875 1.447 -2.895 1.00 0.00 C ATOM 401 O LEU A 25 -13.559 1.314 -1.900 1.00 0.00 O ATOM 402 CB LEU A 25 -10.407 1.861 -2.833 1.00 0.00 C ATOM 403 CG LEU A 25 -9.114 1.208 -2.332 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.969 2.219 -2.413 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.277 0.746 -0.875 1.00 0.00 C ATOM 0 H LEU A 25 -10.527 0.424 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.385 0.043 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.227 2.363 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.738 2.623 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.893 0.343 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.049 1.756 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.838 2.538 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.203 3.084 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.350 0.284 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.508 1.605 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.088 0.021 -0.812 1.00 0.00 H new ATOM 417 N LYS A 26 -13.293 2.150 -3.913 1.00 0.00 N ATOM 418 CA LYS A 26 -14.626 2.806 -3.865 1.00 0.00 C ATOM 419 C LYS A 26 -15.697 1.758 -3.559 1.00 0.00 C ATOM 420 O LYS A 26 -16.592 1.981 -2.770 1.00 0.00 O ATOM 421 CB LYS A 26 -14.927 3.458 -5.221 1.00 0.00 C ATOM 422 CG LYS A 26 -14.909 4.989 -5.096 1.00 0.00 C ATOM 423 CD LYS A 26 -13.481 5.474 -4.823 1.00 0.00 C ATOM 424 CE LYS A 26 -13.395 6.979 -5.085 1.00 0.00 C ATOM 425 NZ LYS A 26 -12.022 7.461 -4.761 1.00 0.00 N ATOM 0 H LYS A 26 -12.767 2.297 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.626 3.569 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.189 3.138 -5.957 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.901 3.128 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.287 5.442 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.570 5.304 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.203 5.257 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.776 4.942 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.630 7.192 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.130 7.507 -4.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.962 8.484 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.815 7.271 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.330 6.965 -5.358 1.00 0.00 H new ATOM 439 N GLU A 27 -15.614 0.616 -4.184 1.00 0.00 N ATOM 440 CA GLU A 27 -16.627 -0.443 -3.939 1.00 0.00 C ATOM 441 C GLU A 27 -16.665 -0.789 -2.448 1.00 0.00 C ATOM 442 O GLU A 27 -17.623 -1.358 -1.961 1.00 0.00 O ATOM 443 CB GLU A 27 -16.260 -1.693 -4.741 1.00 0.00 C ATOM 444 CG GLU A 27 -17.529 -2.306 -5.338 1.00 0.00 C ATOM 445 CD GLU A 27 -17.979 -1.478 -6.542 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.507 -0.361 -6.679 1.00 0.00 O ATOM 447 OE2 GLU A 27 -18.787 -1.975 -7.309 1.00 0.00 O ATOM 0 H GLU A 27 -14.886 0.372 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.607 -0.082 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.559 -1.436 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.761 -2.418 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.340 -3.336 -5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.319 -2.335 -4.588 1.00 0.00 H new ATOM 454 N LEU A 28 -15.630 -0.456 -1.722 1.00 0.00 N ATOM 455 CA LEU A 28 -15.602 -0.771 -0.263 1.00 0.00 C ATOM 456 C LEU A 28 -15.969 0.473 0.550 1.00 0.00 C ATOM 457 O LEU A 28 -16.128 0.412 1.753 1.00 0.00 O ATOM 458 CB LEU A 28 -14.196 -1.231 0.130 1.00 0.00 C ATOM 459 CG LEU A 28 -14.243 -2.676 0.630 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.822 -3.151 0.935 1.00 0.00 C ATOM 461 CD2 LEU A 28 -15.086 -2.757 1.907 1.00 0.00 C ATOM 0 H LEU A 28 -14.802 0.021 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.323 -1.561 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.526 -1.155 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.795 -0.581 0.907 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.689 -3.308 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.851 -4.181 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.218 -3.098 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.382 -2.514 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.116 -3.788 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.643 -2.124 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.100 -2.416 1.696 1.00 0.00 H new ATOM 473 N GLY A 29 -16.102 1.604 -0.092 1.00 0.00 N ATOM 474 CA GLY A 29 -16.453 2.838 0.650 1.00 0.00 C ATOM 475 C GLY A 29 -15.174 3.558 1.075 1.00 0.00 C ATOM 476 O GLY A 29 -14.826 3.589 2.232 1.00 0.00 O ATOM 0 H GLY A 29 -15.982 1.721 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.060 3.492 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.052 2.590 1.526 1.00 0.00 H new ATOM 480 N PHE A 30 -14.470 4.139 0.148 1.00 0.00 N ATOM 481 CA PHE A 30 -13.216 4.863 0.507 1.00 0.00 C ATOM 482 C PHE A 30 -13.003 6.007 -0.490 1.00 0.00 C ATOM 483 O PHE A 30 -12.548 5.793 -1.596 1.00 0.00 O ATOM 484 CB PHE A 30 -12.029 3.900 0.446 1.00 0.00 C ATOM 485 CG PHE A 30 -11.967 3.067 1.711 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.703 3.675 2.944 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.165 1.683 1.647 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.637 2.896 4.109 1.00 0.00 C ATOM 489 CE2 PHE A 30 -12.100 0.907 2.812 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.836 1.514 4.041 1.00 0.00 C ATOM 0 H PHE A 30 -14.706 4.146 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.297 5.263 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -12.124 3.249 -0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.102 4.461 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.550 4.743 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.369 1.212 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.432 3.365 5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.254 -0.161 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.786 0.916 4.939 1.00 0.00 H new ATOM 500 N ASN A 31 -13.342 7.214 -0.111 1.00 0.00 N ATOM 501 CA ASN A 31 -13.182 8.375 -1.035 1.00 0.00 C ATOM 502 C ASN A 31 -12.029 9.266 -0.565 1.00 0.00 C ATOM 503 O ASN A 31 -12.228 10.391 -0.149 1.00 0.00 O ATOM 504 CB ASN A 31 -14.481 9.183 -1.040 1.00 0.00 C ATOM 505 CG ASN A 31 -15.447 8.595 -2.069 1.00 0.00 C ATOM 506 OD1 ASN A 31 -15.322 7.448 -2.450 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.414 9.337 -2.537 1.00 0.00 N ATOM 0 H ASN A 31 -13.725 7.445 0.806 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.961 8.014 -2.039 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.935 9.167 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.271 10.226 -1.277 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.065 8.954 -3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.519 10.300 -2.217 1.00 0.00 H new ATOM 514 N ASN A 32 -10.821 8.777 -0.634 1.00 0.00 N ATOM 515 CA ASN A 32 -9.654 9.598 -0.200 1.00 0.00 C ATOM 516 C ASN A 32 -8.362 8.854 -0.547 1.00 0.00 C ATOM 517 O ASN A 32 -7.891 8.026 0.205 1.00 0.00 O ATOM 518 CB ASN A 32 -9.723 9.834 1.313 1.00 0.00 C ATOM 519 CG ASN A 32 -8.985 11.128 1.662 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.896 11.369 1.180 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.537 11.978 2.485 1.00 0.00 N ATOM 0 H ASN A 32 -10.591 7.843 -0.973 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.672 10.560 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.762 9.898 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.276 8.993 1.844 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.054 12.844 2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.451 11.776 2.890 1.00 0.00 H new ATOM 528 N VAL A 33 -7.791 9.126 -1.689 1.00 0.00 N ATOM 529 CA VAL A 33 -6.540 8.414 -2.074 1.00 0.00 C ATOM 530 C VAL A 33 -5.670 9.307 -2.968 1.00 0.00 C ATOM 531 O VAL A 33 -6.179 10.089 -3.747 1.00 0.00 O ATOM 532 CB VAL A 33 -6.917 7.145 -2.837 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.808 7.512 -4.024 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.652 6.454 -3.350 1.00 0.00 C ATOM 0 H VAL A 33 -8.134 9.806 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.974 8.164 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.452 6.470 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.078 6.608 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.712 8.001 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.270 8.189 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.926 5.550 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.114 7.128 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.014 6.191 -2.507 1.00 0.00 H new ATOM 544 N GLU A 34 -4.364 9.176 -2.881 1.00 0.00 N ATOM 545 CA GLU A 34 -3.460 9.991 -3.744 1.00 0.00 C ATOM 546 C GLU A 34 -2.579 9.026 -4.531 1.00 0.00 C ATOM 547 O GLU A 34 -2.763 7.829 -4.459 1.00 0.00 O ATOM 548 CB GLU A 34 -2.601 10.906 -2.872 1.00 0.00 C ATOM 549 CG GLU A 34 -3.480 12.000 -2.251 1.00 0.00 C ATOM 550 CD GLU A 34 -2.988 13.374 -2.707 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.102 13.909 -2.060 1.00 0.00 O ATOM 552 OE2 GLU A 34 -3.505 13.869 -3.694 1.00 0.00 O ATOM 0 H GLU A 34 -3.889 8.536 -2.245 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.035 10.616 -4.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.116 10.326 -2.087 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.810 11.357 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.519 11.858 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.447 11.933 -1.164 1.00 0.00 H new ATOM 559 N GLU A 35 -1.635 9.515 -5.292 1.00 0.00 N ATOM 560 CA GLU A 35 -0.776 8.585 -6.084 1.00 0.00 C ATOM 561 C GLU A 35 0.636 9.146 -6.239 1.00 0.00 C ATOM 562 O GLU A 35 0.877 10.327 -6.083 1.00 0.00 O ATOM 563 CB GLU A 35 -1.368 8.355 -7.485 1.00 0.00 C ATOM 564 CG GLU A 35 -2.644 9.177 -7.691 1.00 0.00 C ATOM 565 CD GLU A 35 -2.327 10.670 -7.573 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.637 11.180 -8.441 1.00 0.00 O ATOM 567 OE2 GLU A 35 -2.778 11.278 -6.616 1.00 0.00 O ATOM 0 H GLU A 35 -1.423 10.507 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.736 7.640 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.632 8.626 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.589 7.296 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.070 8.963 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.392 8.895 -6.950 1.00 0.00 H new ATOM 574 N ALA A 36 1.566 8.289 -6.563 1.00 0.00 N ATOM 575 CA ALA A 36 2.976 8.730 -6.755 1.00 0.00 C ATOM 576 C ALA A 36 3.562 7.978 -7.951 1.00 0.00 C ATOM 577 O ALA A 36 2.843 7.347 -8.702 1.00 0.00 O ATOM 578 CB ALA A 36 3.788 8.421 -5.496 1.00 0.00 C ATOM 0 H ALA A 36 1.406 7.292 -6.704 1.00 0.00 H new ATOM 0 HA ALA A 36 3.011 9.804 -6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.819 8.745 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.357 8.950 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.768 7.348 -5.304 1.00 0.00 H new ATOM 584 N GLU A 37 4.854 8.044 -8.139 1.00 0.00 N ATOM 585 CA GLU A 37 5.486 7.336 -9.296 1.00 0.00 C ATOM 586 C GLU A 37 6.694 6.526 -8.818 1.00 0.00 C ATOM 587 O GLU A 37 7.381 5.904 -9.602 1.00 0.00 O ATOM 588 CB GLU A 37 5.944 8.363 -10.332 1.00 0.00 C ATOM 589 CG GLU A 37 4.837 9.396 -10.552 1.00 0.00 C ATOM 590 CD GLU A 37 5.265 10.378 -11.645 1.00 0.00 C ATOM 591 OE1 GLU A 37 5.860 9.933 -12.612 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.989 11.557 -11.495 1.00 0.00 O ATOM 0 H GLU A 37 5.501 8.558 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 37 4.756 6.661 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.854 8.857 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.183 7.865 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.911 8.897 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.636 9.932 -9.625 1.00 0.00 H new ATOM 599 N ASP A 38 6.957 6.522 -7.539 1.00 0.00 N ATOM 600 CA ASP A 38 8.118 5.746 -7.019 1.00 0.00 C ATOM 601 C ASP A 38 8.298 6.063 -5.537 1.00 0.00 C ATOM 602 O ASP A 38 7.522 6.797 -4.957 1.00 0.00 O ATOM 603 CB ASP A 38 9.388 6.133 -7.781 1.00 0.00 C ATOM 604 CG ASP A 38 9.297 7.596 -8.218 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.481 8.459 -7.375 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.048 7.829 -9.388 1.00 0.00 O ATOM 0 H ASP A 38 6.418 7.023 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 38 7.935 4.680 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.263 5.985 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.512 5.490 -8.652 1.00 0.00 H new ATOM 611 N GLY A 39 9.309 5.528 -4.913 1.00 0.00 N ATOM 612 CA GLY A 39 9.505 5.826 -3.470 1.00 0.00 C ATOM 613 C GLY A 39 10.003 7.259 -3.320 1.00 0.00 C ATOM 614 O GLY A 39 9.708 7.928 -2.352 1.00 0.00 O ATOM 0 H GLY A 39 9.999 4.906 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.568 5.695 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.224 5.131 -3.037 1.00 0.00 H new ATOM 618 N VAL A 40 10.736 7.750 -4.281 1.00 0.00 N ATOM 619 CA VAL A 40 11.221 9.152 -4.190 1.00 0.00 C ATOM 620 C VAL A 40 10.009 10.083 -4.222 1.00 0.00 C ATOM 621 O VAL A 40 9.968 11.099 -3.554 1.00 0.00 O ATOM 622 CB VAL A 40 12.137 9.461 -5.375 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.899 10.761 -5.108 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.136 8.316 -5.558 1.00 0.00 C ATOM 0 H VAL A 40 11.018 7.243 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 40 11.782 9.294 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 40 11.537 9.571 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.552 10.980 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.190 11.578 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.499 10.652 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.790 8.535 -6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.735 8.208 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.596 7.389 -5.748 1.00 0.00 H new ATOM 634 N ASP A 41 9.013 9.729 -4.989 1.00 0.00 N ATOM 635 CA ASP A 41 7.792 10.571 -5.070 1.00 0.00 C ATOM 636 C ASP A 41 6.965 10.372 -3.802 1.00 0.00 C ATOM 637 O ASP A 41 6.510 11.317 -3.189 1.00 0.00 O ATOM 638 CB ASP A 41 6.973 10.142 -6.285 1.00 0.00 C ATOM 639 CG ASP A 41 6.031 11.275 -6.698 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.225 11.677 -5.878 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.134 11.720 -7.830 1.00 0.00 O ATOM 0 H ASP A 41 8.996 8.887 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 41 8.067 11.621 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.637 9.888 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.399 9.246 -6.050 1.00 0.00 H new ATOM 646 N ALA A 42 6.769 9.146 -3.403 1.00 0.00 N ATOM 647 CA ALA A 42 5.975 8.885 -2.172 1.00 0.00 C ATOM 648 C ALA A 42 6.655 9.559 -0.981 1.00 0.00 C ATOM 649 O ALA A 42 6.054 10.338 -0.277 1.00 0.00 O ATOM 650 CB ALA A 42 5.886 7.380 -1.921 1.00 0.00 C ATOM 0 H ALA A 42 7.124 8.315 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 42 4.970 9.287 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.303 7.195 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.402 6.898 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.889 6.972 -1.795 1.00 0.00 H new ATOM 656 N LEU A 43 7.906 9.267 -0.751 1.00 0.00 N ATOM 657 CA LEU A 43 8.614 9.901 0.398 1.00 0.00 C ATOM 658 C LEU A 43 8.357 11.409 0.381 1.00 0.00 C ATOM 659 O LEU A 43 7.994 11.998 1.380 1.00 0.00 O ATOM 660 CB LEU A 43 10.119 9.640 0.281 1.00 0.00 C ATOM 661 CG LEU A 43 10.745 9.598 1.678 1.00 0.00 C ATOM 662 CD1 LEU A 43 12.247 9.343 1.555 1.00 0.00 C ATOM 663 CD2 LEU A 43 10.514 10.936 2.384 1.00 0.00 C ATOM 0 H LEU A 43 8.467 8.620 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 43 8.245 9.477 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.295 8.697 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.588 10.422 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 43 10.284 8.798 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.694 9.313 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.414 8.390 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.706 10.144 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.960 10.905 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.974 11.737 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.443 11.121 2.472 1.00 0.00 H new ATOM 675 N ASN A 44 8.547 12.041 -0.744 1.00 0.00 N ATOM 676 CA ASN A 44 8.318 13.512 -0.820 1.00 0.00 C ATOM 677 C ASN A 44 6.827 13.821 -0.646 1.00 0.00 C ATOM 678 O ASN A 44 6.455 14.832 -0.087 1.00 0.00 O ATOM 679 CB ASN A 44 8.788 14.030 -2.180 1.00 0.00 C ATOM 680 CG ASN A 44 10.263 14.428 -2.098 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.616 15.354 -1.395 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.145 13.761 -2.791 1.00 0.00 N ATOM 0 H ASN A 44 8.851 11.603 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 44 8.880 14.002 -0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.650 13.261 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.186 14.887 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.131 14.017 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.848 12.984 -3.381 1.00 0.00 H new ATOM 689 N LYS A 45 5.971 12.964 -1.132 1.00 0.00 N ATOM 690 CA LYS A 45 4.507 13.219 -1.004 1.00 0.00 C ATOM 691 C LYS A 45 3.969 12.611 0.296 1.00 0.00 C ATOM 692 O LYS A 45 2.816 12.783 0.636 1.00 0.00 O ATOM 693 CB LYS A 45 3.779 12.590 -2.195 1.00 0.00 C ATOM 694 CG LYS A 45 3.767 13.576 -3.367 1.00 0.00 C ATOM 695 CD LYS A 45 2.522 14.463 -3.283 1.00 0.00 C ATOM 696 CE LYS A 45 2.512 15.439 -4.461 1.00 0.00 C ATOM 697 NZ LYS A 45 1.936 14.763 -5.659 1.00 0.00 N ATOM 0 H LYS A 45 6.221 12.099 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 45 4.336 14.295 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.274 11.665 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.758 12.330 -1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.666 14.192 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.775 13.033 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.622 13.848 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.516 15.012 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.925 16.322 -4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.525 15.780 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.928 15.425 -6.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.514 13.933 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.963 14.459 -5.452 1.00 0.00 H new ATOM 711 N LEU A 46 4.787 11.902 1.024 1.00 0.00 N ATOM 712 CA LEU A 46 4.309 11.285 2.296 1.00 0.00 C ATOM 713 C LEU A 46 4.132 12.385 3.346 1.00 0.00 C ATOM 714 O LEU A 46 3.324 12.273 4.246 1.00 0.00 O ATOM 715 CB LEU A 46 5.347 10.265 2.791 1.00 0.00 C ATOM 716 CG LEU A 46 4.719 8.870 2.966 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.639 8.905 4.048 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.093 8.400 1.651 1.00 0.00 C ATOM 0 H LEU A 46 5.765 11.723 0.795 1.00 0.00 H new ATOM 0 HA LEU A 46 3.358 10.779 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.172 10.209 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.765 10.600 3.740 1.00 0.00 H new ATOM 0 HG LEU A 46 5.507 8.177 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.204 7.912 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.082 9.216 4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.860 9.612 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.653 7.412 1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.318 9.103 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.862 8.349 0.880 1.00 0.00 H new ATOM 730 N GLN A 47 4.880 13.448 3.234 1.00 0.00 N ATOM 731 CA GLN A 47 4.750 14.554 4.224 1.00 0.00 C ATOM 732 C GLN A 47 3.392 15.234 4.050 1.00 0.00 C ATOM 733 O GLN A 47 3.068 16.178 4.743 1.00 0.00 O ATOM 734 CB GLN A 47 5.866 15.577 3.997 1.00 0.00 C ATOM 735 CG GLN A 47 5.689 16.747 4.966 1.00 0.00 C ATOM 736 CD GLN A 47 7.052 17.378 5.260 1.00 0.00 C ATOM 737 OE1 GLN A 47 7.891 16.771 5.894 1.00 0.00 O ATOM 738 NE2 GLN A 47 7.308 18.581 4.823 1.00 0.00 N ATOM 0 H GLN A 47 5.574 13.598 2.502 1.00 0.00 H new ATOM 0 HA GLN A 47 4.829 14.150 5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.839 15.109 4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.841 15.936 2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.017 17.490 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.230 16.400 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.603 19.091 4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.213 19.011 5.014 1.00 0.00 H new ATOM 747 N ALA A 48 2.596 14.763 3.127 1.00 0.00 N ATOM 748 CA ALA A 48 1.260 15.379 2.905 1.00 0.00 C ATOM 749 C ALA A 48 0.570 15.599 4.251 1.00 0.00 C ATOM 750 O ALA A 48 0.533 16.700 4.765 1.00 0.00 O ATOM 751 CB ALA A 48 0.406 14.450 2.041 1.00 0.00 C ATOM 0 H ALA A 48 2.816 13.976 2.517 1.00 0.00 H new ATOM 0 HA ALA A 48 1.382 16.336 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.573 14.902 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.897 14.293 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.284 13.492 2.547 1.00 0.00 H new ATOM 757 N GLY A 49 0.029 14.560 4.830 1.00 0.00 N ATOM 758 CA GLY A 49 -0.655 14.714 6.147 1.00 0.00 C ATOM 759 C GLY A 49 -0.413 13.463 6.993 1.00 0.00 C ATOM 760 O GLY A 49 0.269 13.502 7.998 1.00 0.00 O ATOM 0 H GLY A 49 0.031 13.614 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.277 15.596 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.724 14.865 5.999 1.00 0.00 H new ATOM 764 N GLY A 50 -0.967 12.356 6.590 1.00 0.00 N ATOM 765 CA GLY A 50 -0.775 11.098 7.362 1.00 0.00 C ATOM 766 C GLY A 50 -1.508 9.963 6.654 1.00 0.00 C ATOM 767 O GLY A 50 -2.497 9.450 7.139 1.00 0.00 O ATOM 0 H GLY A 50 -1.547 12.267 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.287 10.866 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.156 11.217 8.376 1.00 0.00 H new ATOM 771 N TYR A 51 -1.034 9.574 5.506 1.00 0.00 N ATOM 772 CA TYR A 51 -1.700 8.480 4.757 1.00 0.00 C ATOM 773 C TYR A 51 -1.986 7.321 5.699 1.00 0.00 C ATOM 774 O TYR A 51 -1.112 6.545 6.032 1.00 0.00 O ATOM 775 CB TYR A 51 -0.787 8.018 3.627 1.00 0.00 C ATOM 776 CG TYR A 51 -0.887 9.006 2.496 1.00 0.00 C ATOM 777 CD1 TYR A 51 -2.036 9.047 1.699 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.166 9.893 2.257 1.00 0.00 C ATOM 779 CE1 TYR A 51 -2.130 9.981 0.662 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.074 10.824 1.219 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.072 10.871 0.422 1.00 0.00 C ATOM 782 OH TYR A 51 -1.159 11.797 -0.595 1.00 0.00 O ATOM 0 H TYR A 51 -0.210 9.970 5.053 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.640 8.839 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.243 7.947 3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.078 7.024 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.848 8.359 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.051 9.859 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.017 10.017 0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.889 11.507 1.033 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.339 12.333 -0.620 1.00 0.00 H new ATOM 792 N GLY A 52 -3.206 7.194 6.129 1.00 0.00 N ATOM 793 CA GLY A 52 -3.552 6.083 7.048 1.00 0.00 C ATOM 794 C GLY A 52 -3.481 4.767 6.282 1.00 0.00 C ATOM 795 O GLY A 52 -3.887 3.732 6.766 1.00 0.00 O ATOM 0 H GLY A 52 -3.979 7.813 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.864 6.065 7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.553 6.228 7.455 1.00 0.00 H new ATOM 799 N PHE A 53 -2.979 4.798 5.079 1.00 0.00 N ATOM 800 CA PHE A 53 -2.886 3.541 4.291 1.00 0.00 C ATOM 801 C PHE A 53 -2.035 3.782 3.036 1.00 0.00 C ATOM 802 O PHE A 53 -2.033 4.860 2.471 1.00 0.00 O ATOM 803 CB PHE A 53 -4.292 3.111 3.898 1.00 0.00 C ATOM 804 CG PHE A 53 -4.437 1.617 4.013 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.001 0.793 2.976 1.00 0.00 C ATOM 806 CD2 PHE A 53 -5.043 1.059 5.140 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.166 -0.587 3.064 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.216 -0.321 5.229 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.778 -1.149 4.190 1.00 0.00 C ATOM 0 H PHE A 53 -2.631 5.635 4.611 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.416 2.757 4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.022 3.604 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.503 3.425 2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.535 1.226 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.378 1.698 5.944 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.821 -1.224 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.688 -0.751 6.100 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.912 -2.219 4.257 1.00 0.00 H new ATOM 819 N VAL A 54 -1.299 2.797 2.597 1.00 0.00 N ATOM 820 CA VAL A 54 -0.449 2.996 1.385 1.00 0.00 C ATOM 821 C VAL A 54 -0.378 1.705 0.565 1.00 0.00 C ATOM 822 O VAL A 54 0.081 0.681 1.029 1.00 0.00 O ATOM 823 CB VAL A 54 0.963 3.400 1.811 1.00 0.00 C ATOM 824 CG1 VAL A 54 1.789 3.775 0.578 1.00 0.00 C ATOM 825 CG2 VAL A 54 0.897 4.601 2.759 1.00 0.00 C ATOM 0 H VAL A 54 -1.248 1.870 3.020 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.891 3.782 0.773 1.00 0.00 H new ATOM 0 HB VAL A 54 1.432 2.559 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.794 4.062 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.847 2.920 -0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.315 4.611 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.906 4.884 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.421 5.440 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.317 4.335 3.643 1.00 0.00 H new ATOM 835 N ILE A 55 -0.812 1.766 -0.662 1.00 0.00 N ATOM 836 CA ILE A 55 -0.765 0.573 -1.554 1.00 0.00 C ATOM 837 C ILE A 55 0.444 0.742 -2.492 1.00 0.00 C ATOM 838 O ILE A 55 0.351 1.367 -3.530 1.00 0.00 O ATOM 839 CB ILE A 55 -2.069 0.522 -2.368 1.00 0.00 C ATOM 840 CG1 ILE A 55 -3.155 -0.166 -1.539 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.870 -0.251 -3.678 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.531 0.236 -2.070 1.00 0.00 C ATOM 0 H ILE A 55 -1.203 2.604 -1.092 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.666 -0.351 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.366 1.543 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.036 -1.248 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.061 0.116 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.807 -0.272 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.103 0.240 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.558 -1.271 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.306 -0.254 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.648 1.317 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.622 -0.069 -3.113 1.00 0.00 H new ATOM 854 N SER A 56 1.584 0.216 -2.124 1.00 0.00 N ATOM 855 CA SER A 56 2.796 0.377 -2.988 1.00 0.00 C ATOM 856 C SER A 56 3.010 -0.876 -3.840 1.00 0.00 C ATOM 857 O SER A 56 2.651 -1.971 -3.457 1.00 0.00 O ATOM 858 CB SER A 56 4.021 0.604 -2.102 1.00 0.00 C ATOM 859 OG SER A 56 4.234 -0.545 -1.291 1.00 0.00 O ATOM 0 H SER A 56 1.730 -0.316 -1.266 1.00 0.00 H new ATOM 0 HA SER A 56 2.651 1.232 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.899 0.796 -2.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.873 1.483 -1.475 1.00 0.00 H new ATOM 0 HG SER A 56 4.717 -1.224 -1.806 1.00 0.00 H new ATOM 865 N ASP A 57 3.604 -0.719 -4.996 1.00 0.00 N ATOM 866 CA ASP A 57 3.852 -1.896 -5.878 1.00 0.00 C ATOM 867 C ASP A 57 5.176 -2.556 -5.482 1.00 0.00 C ATOM 868 O ASP A 57 5.276 -3.185 -4.449 1.00 0.00 O ATOM 869 CB ASP A 57 3.922 -1.436 -7.338 1.00 0.00 C ATOM 870 CG ASP A 57 4.919 -0.281 -7.467 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.734 0.715 -6.790 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.852 -0.416 -8.242 1.00 0.00 O ATOM 0 H ASP A 57 3.928 0.175 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 57 3.040 -2.615 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.226 -2.265 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.936 -1.118 -7.677 1.00 0.00 H new ATOM 877 N TRP A 58 6.195 -2.418 -6.290 1.00 0.00 N ATOM 878 CA TRP A 58 7.506 -3.039 -5.945 1.00 0.00 C ATOM 879 C TRP A 58 8.643 -2.151 -6.456 1.00 0.00 C ATOM 880 O TRP A 58 8.416 -1.140 -7.091 1.00 0.00 O ATOM 881 CB TRP A 58 7.604 -4.425 -6.587 1.00 0.00 C ATOM 882 CG TRP A 58 8.784 -5.156 -6.031 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.854 -5.564 -6.754 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.036 -5.574 -4.657 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.746 -6.203 -5.912 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.288 -6.235 -4.611 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.311 -5.447 -3.457 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.800 -6.749 -3.418 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.826 -5.963 -2.257 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.066 -6.612 -2.238 1.00 0.00 C ATOM 0 H TRP A 58 6.175 -1.904 -7.171 1.00 0.00 H new ATOM 0 HA TRP A 58 7.585 -3.139 -4.863 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.691 -4.990 -6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.700 -4.329 -7.669 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.989 -5.415 -7.815 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.634 -6.602 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.352 -4.949 -3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.757 -7.249 -3.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.261 -5.858 -1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.455 -7.007 -1.311 1.00 0.00 H new ATOM 901 N ASN A 59 9.864 -2.516 -6.177 1.00 0.00 N ATOM 902 CA ASN A 59 11.016 -1.689 -6.638 1.00 0.00 C ATOM 903 C ASN A 59 11.216 -1.872 -8.143 1.00 0.00 C ATOM 904 O ASN A 59 12.190 -2.452 -8.581 1.00 0.00 O ATOM 905 CB ASN A 59 12.283 -2.125 -5.900 1.00 0.00 C ATOM 906 CG ASN A 59 12.247 -3.637 -5.670 1.00 0.00 C ATOM 907 OD1 ASN A 59 12.641 -4.439 -6.622 1.00 0.00 O flip ATOM 908 ND2 ASN A 59 11.858 -4.093 -4.613 1.00 0.00 N flip ATOM 0 H ASN A 59 10.114 -3.352 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 59 10.812 -0.639 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.165 -1.856 -6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.358 -1.603 -4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.550 -3.466 -3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.839 -5.103 -4.469 1.00 0.00 H new ATOM 915 N MET A 60 10.311 -1.377 -8.940 1.00 0.00 N ATOM 916 CA MET A 60 10.463 -1.519 -10.412 1.00 0.00 C ATOM 917 C MET A 60 11.459 -0.476 -10.950 1.00 0.00 C ATOM 918 O MET A 60 12.336 -0.827 -11.714 1.00 0.00 O ATOM 919 CB MET A 60 9.105 -1.351 -11.103 1.00 0.00 C ATOM 920 CG MET A 60 8.763 -2.624 -11.881 1.00 0.00 C ATOM 921 SD MET A 60 8.509 -3.992 -10.722 1.00 0.00 S ATOM 922 CE MET A 60 6.840 -4.436 -11.260 1.00 0.00 C ATOM 0 H MET A 60 9.474 -0.881 -8.635 1.00 0.00 H new ATOM 0 HA MET A 60 10.848 -2.516 -10.626 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.332 -1.147 -10.362 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.133 -0.496 -11.779 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.864 -2.468 -12.478 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.568 -2.866 -12.575 1.00 0.00 H new ATOM 0 HE1 MET A 60 6.478 -5.276 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.175 -3.583 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.860 -4.717 -12.313 1.00 0.00 H new ATOM 932 N PRO A 61 11.313 0.777 -10.555 1.00 0.00 N ATOM 933 CA PRO A 61 12.224 1.836 -11.029 1.00 0.00 C ATOM 934 C PRO A 61 13.629 1.604 -10.471 1.00 0.00 C ATOM 935 O PRO A 61 14.552 1.280 -11.193 1.00 0.00 O ATOM 936 CB PRO A 61 11.638 3.142 -10.474 1.00 0.00 C ATOM 937 CG PRO A 61 10.369 2.781 -9.663 1.00 0.00 C ATOM 938 CD PRO A 61 10.257 1.249 -9.629 1.00 0.00 C ATOM 0 HA PRO A 61 12.308 1.856 -12.116 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.366 3.649 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.391 3.826 -11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.434 3.182 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.483 3.219 -10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.411 0.862 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.270 0.916 -9.950 1.00 0.00 H new ATOM 946 N ASN A 62 13.797 1.768 -9.187 1.00 0.00 N ATOM 947 CA ASN A 62 15.137 1.558 -8.573 1.00 0.00 C ATOM 948 C ASN A 62 14.966 1.131 -7.113 1.00 0.00 C ATOM 949 O ASN A 62 14.265 0.185 -6.813 1.00 0.00 O ATOM 950 CB ASN A 62 15.940 2.861 -8.639 1.00 0.00 C ATOM 951 CG ASN A 62 15.252 3.936 -7.794 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.948 3.989 -7.757 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 15.908 4.739 -7.160 1.00 0.00 N flip ATOM 0 H ASN A 62 13.061 2.039 -8.535 1.00 0.00 H new ATOM 0 HA ASN A 62 15.670 0.779 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.954 2.693 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.023 3.196 -9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.927 4.700 -7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.440 5.452 -6.601 1.00 0.00 H new ATOM 960 N MET A 63 15.596 1.820 -6.202 1.00 0.00 N ATOM 961 CA MET A 63 15.464 1.451 -4.764 1.00 0.00 C ATOM 962 C MET A 63 14.227 2.133 -4.173 1.00 0.00 C ATOM 963 O MET A 63 14.274 3.276 -3.763 1.00 0.00 O ATOM 964 CB MET A 63 16.710 1.912 -4.003 1.00 0.00 C ATOM 965 CG MET A 63 17.951 1.243 -4.597 1.00 0.00 C ATOM 966 SD MET A 63 19.439 2.005 -3.903 1.00 0.00 S ATOM 967 CE MET A 63 19.988 2.848 -5.408 1.00 0.00 C ATOM 0 H MET A 63 16.197 2.623 -6.391 1.00 0.00 H new ATOM 0 HA MET A 63 15.361 0.370 -4.675 1.00 0.00 H new ATOM 0 HB2 MET A 63 16.805 2.996 -4.063 1.00 0.00 H new ATOM 0 HB3 MET A 63 16.618 1.658 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.941 0.175 -4.379 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.949 1.347 -5.682 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.910 3.392 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.167 2.113 -6.192 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.218 3.547 -5.735 1.00 0.00 H new ATOM 977 N ASP A 64 13.119 1.441 -4.125 1.00 0.00 N ATOM 978 CA ASP A 64 11.880 2.052 -3.561 1.00 0.00 C ATOM 979 C ASP A 64 10.892 0.944 -3.181 1.00 0.00 C ATOM 980 O ASP A 64 11.095 -0.213 -3.492 1.00 0.00 O ATOM 981 CB ASP A 64 11.240 2.966 -4.608 1.00 0.00 C ATOM 982 CG ASP A 64 12.038 4.268 -4.710 1.00 0.00 C ATOM 983 OD1 ASP A 64 12.448 4.770 -3.677 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.225 4.739 -5.820 1.00 0.00 O ATOM 0 H ASP A 64 13.019 0.480 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 64 12.133 2.634 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.216 2.466 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.207 3.181 -4.335 1.00 0.00 H new ATOM 989 N GLY A 65 9.819 1.289 -2.519 1.00 0.00 N ATOM 990 CA GLY A 65 8.819 0.252 -2.130 1.00 0.00 C ATOM 991 C GLY A 65 9.357 -0.586 -0.965 1.00 0.00 C ATOM 992 O GLY A 65 8.807 -0.578 0.120 1.00 0.00 O ATOM 0 H GLY A 65 9.592 2.241 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.882 0.729 -1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.601 -0.392 -2.982 1.00 0.00 H new ATOM 996 N LEU A 66 10.430 -1.298 -1.160 1.00 0.00 N ATOM 997 CA LEU A 66 10.977 -2.101 -0.034 1.00 0.00 C ATOM 998 C LEU A 66 11.646 -1.138 0.948 1.00 0.00 C ATOM 999 O LEU A 66 11.375 -1.150 2.134 1.00 0.00 O ATOM 1000 CB LEU A 66 11.999 -3.116 -0.559 1.00 0.00 C ATOM 1001 CG LEU A 66 12.731 -3.786 0.612 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.717 -4.316 1.630 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.565 -4.954 0.083 1.00 0.00 C ATOM 0 H LEU A 66 10.946 -1.359 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 66 10.178 -2.652 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.495 -3.871 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.718 -2.616 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 66 13.377 -3.053 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.246 -4.790 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.116 -3.489 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.067 -5.047 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.087 -5.433 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.910 -5.679 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.293 -4.584 -0.639 1.00 0.00 H new ATOM 1015 N GLU A 67 12.501 -0.285 0.454 1.00 0.00 N ATOM 1016 CA GLU A 67 13.171 0.700 1.345 1.00 0.00 C ATOM 1017 C GLU A 67 12.139 1.739 1.784 1.00 0.00 C ATOM 1018 O GLU A 67 12.350 2.487 2.718 1.00 0.00 O ATOM 1019 CB GLU A 67 14.305 1.391 0.585 1.00 0.00 C ATOM 1020 CG GLU A 67 15.438 1.733 1.553 1.00 0.00 C ATOM 1021 CD GLU A 67 16.546 2.474 0.800 1.00 0.00 C ATOM 1022 OE1 GLU A 67 17.146 1.870 -0.074 1.00 0.00 O ATOM 1023 OE2 GLU A 67 16.774 3.631 1.111 1.00 0.00 O ATOM 0 H GLU A 67 12.764 -0.229 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 67 13.585 0.194 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.674 0.740 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.936 2.298 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.061 2.351 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.835 0.822 2.002 1.00 0.00 H new ATOM 1030 N LEU A 68 11.016 1.779 1.116 1.00 0.00 N ATOM 1031 CA LEU A 68 9.954 2.755 1.490 1.00 0.00 C ATOM 1032 C LEU A 68 9.381 2.349 2.846 1.00 0.00 C ATOM 1033 O LEU A 68 9.396 3.105 3.796 1.00 0.00 O ATOM 1034 CB LEU A 68 8.824 2.701 0.451 1.00 0.00 C ATOM 1035 CG LEU A 68 8.997 3.745 -0.650 1.00 0.00 C ATOM 1036 CD1 LEU A 68 7.824 3.609 -1.628 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.981 5.146 -0.047 1.00 0.00 C ATOM 0 H LEU A 68 10.789 1.175 0.326 1.00 0.00 H new ATOM 0 HA LEU A 68 10.373 3.760 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.792 1.707 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.867 2.857 0.950 1.00 0.00 H new ATOM 0 HG LEU A 68 9.947 3.589 -1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.927 4.346 -2.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.823 2.608 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.887 3.776 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.105 5.884 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.030 5.313 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.796 5.243 0.670 1.00 0.00 H new ATOM 1049 N LEU A 69 8.869 1.151 2.931 1.00 0.00 N ATOM 1050 CA LEU A 69 8.282 0.675 4.213 1.00 0.00 C ATOM 1051 C LEU A 69 9.368 0.662 5.289 1.00 0.00 C ATOM 1052 O LEU A 69 9.114 0.943 6.443 1.00 0.00 O ATOM 1053 CB LEU A 69 7.670 -0.721 3.988 1.00 0.00 C ATOM 1054 CG LEU A 69 8.399 -1.824 4.792 1.00 0.00 C ATOM 1055 CD1 LEU A 69 8.088 -1.702 6.297 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.930 -3.205 4.302 1.00 0.00 C ATOM 0 H LEU A 69 8.833 0.480 2.164 1.00 0.00 H new ATOM 0 HA LEU A 69 7.489 1.341 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.618 -0.703 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.709 -0.964 2.926 1.00 0.00 H new ATOM 0 HG LEU A 69 9.472 -1.708 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.611 -2.488 6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.418 -0.728 6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.014 -1.804 6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.442 -3.984 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.854 -3.297 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.162 -3.313 3.242 1.00 0.00 H new ATOM 1068 N LYS A 70 10.583 0.355 4.919 1.00 0.00 N ATOM 1069 CA LYS A 70 11.678 0.349 5.925 1.00 0.00 C ATOM 1070 C LYS A 70 11.935 1.789 6.368 1.00 0.00 C ATOM 1071 O LYS A 70 12.187 2.057 7.524 1.00 0.00 O ATOM 1072 CB LYS A 70 12.952 -0.233 5.308 1.00 0.00 C ATOM 1073 CG LYS A 70 13.996 -0.449 6.407 1.00 0.00 C ATOM 1074 CD LYS A 70 15.369 0.006 5.906 1.00 0.00 C ATOM 1075 CE LYS A 70 16.410 -0.213 7.005 1.00 0.00 C ATOM 1076 NZ LYS A 70 17.746 0.233 6.519 1.00 0.00 N ATOM 0 H LYS A 70 10.861 0.110 3.969 1.00 0.00 H new ATOM 0 HA LYS A 70 11.392 -0.264 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.730 -1.177 4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.343 0.443 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.720 0.111 7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.031 -1.502 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.645 -0.553 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.336 1.059 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.132 0.344 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.445 -1.266 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.454 0.084 7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.010 -0.317 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.707 1.243 6.275 1.00 0.00 H new ATOM 1090 N THR A 71 11.856 2.719 5.454 1.00 0.00 N ATOM 1091 CA THR A 71 12.078 4.146 5.819 1.00 0.00 C ATOM 1092 C THR A 71 10.919 4.613 6.698 1.00 0.00 C ATOM 1093 O THR A 71 11.114 5.201 7.743 1.00 0.00 O ATOM 1094 CB THR A 71 12.132 4.996 4.548 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.211 4.560 3.733 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.333 6.465 4.922 1.00 0.00 C ATOM 0 H THR A 71 11.647 2.551 4.470 1.00 0.00 H new ATOM 0 HA THR A 71 13.019 4.250 6.359 1.00 0.00 H new ATOM 0 HB THR A 71 11.196 4.889 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.068 3.626 3.473 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.371 7.069 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.504 6.798 5.546 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.268 6.576 5.472 1.00 0.00 H new ATOM 1104 N ILE A 72 9.711 4.345 6.283 1.00 0.00 N ATOM 1105 CA ILE A 72 8.533 4.759 7.094 1.00 0.00 C ATOM 1106 C ILE A 72 8.587 4.051 8.450 1.00 0.00 C ATOM 1107 O ILE A 72 8.050 4.522 9.432 1.00 0.00 O ATOM 1108 CB ILE A 72 7.246 4.361 6.365 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.198 5.041 4.991 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.034 4.798 7.190 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.165 4.338 4.104 1.00 0.00 C ATOM 0 H ILE A 72 9.490 3.856 5.416 1.00 0.00 H new ATOM 0 HA ILE A 72 8.548 5.839 7.239 1.00 0.00 H new ATOM 0 HB ILE A 72 7.228 3.279 6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.939 6.094 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.181 5.004 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.119 4.514 6.670 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.063 4.312 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.055 5.880 7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.133 4.823 3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.444 3.292 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.182 4.399 4.572 1.00 0.00 H new ATOM 1123 N ARG A 73 9.228 2.914 8.504 1.00 0.00 N ATOM 1124 CA ARG A 73 9.318 2.161 9.787 1.00 0.00 C ATOM 1125 C ARG A 73 10.566 2.596 10.564 1.00 0.00 C ATOM 1126 O ARG A 73 10.599 2.547 11.777 1.00 0.00 O ATOM 1127 CB ARG A 73 9.398 0.659 9.478 1.00 0.00 C ATOM 1128 CG ARG A 73 9.604 -0.148 10.768 1.00 0.00 C ATOM 1129 CD ARG A 73 8.498 0.182 11.774 1.00 0.00 C ATOM 1130 NE ARG A 73 7.214 0.395 11.050 1.00 0.00 N ATOM 1131 CZ ARG A 73 6.451 -0.624 10.763 1.00 0.00 C ATOM 1132 NH1 ARG A 73 6.247 -1.556 11.653 1.00 0.00 N ATOM 1133 NH2 ARG A 73 5.892 -0.711 9.586 1.00 0.00 N ATOM 0 H ARG A 73 9.695 2.473 7.711 1.00 0.00 H new ATOM 0 HA ARG A 73 8.437 2.368 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.483 0.335 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.220 0.467 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.597 -1.215 10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.579 0.081 11.198 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.392 -0.630 12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.761 1.076 12.340 1.00 0.00 H new ATOM 0 HE ARG A 73 6.931 1.337 10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.684 -1.488 12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.651 -2.353 11.430 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.052 0.018 8.890 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.296 -1.508 9.362 1.00 0.00 H new ATOM 1147 N ALA A 74 11.596 3.011 9.878 1.00 0.00 N ATOM 1148 CA ALA A 74 12.840 3.434 10.584 1.00 0.00 C ATOM 1149 C ALA A 74 12.579 4.717 11.372 1.00 0.00 C ATOM 1150 O ALA A 74 13.075 4.896 12.465 1.00 0.00 O ATOM 1151 CB ALA A 74 13.952 3.680 9.563 1.00 0.00 C ATOM 0 H ALA A 74 11.630 3.076 8.861 1.00 0.00 H new ATOM 0 HA ALA A 74 13.146 2.645 11.272 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.860 3.989 10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.146 2.762 9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.644 4.464 8.872 1.00 0.00 H new ATOM 1157 N ASP A 75 11.805 5.612 10.824 1.00 0.00 N ATOM 1158 CA ASP A 75 11.518 6.883 11.546 1.00 0.00 C ATOM 1159 C ASP A 75 10.997 6.565 12.948 1.00 0.00 C ATOM 1160 O ASP A 75 10.946 5.421 13.357 1.00 0.00 O ATOM 1161 CB ASP A 75 10.465 7.681 10.774 1.00 0.00 C ATOM 1162 CG ASP A 75 11.116 8.915 10.150 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.433 9.832 10.891 1.00 0.00 O ATOM 1164 OD2 ASP A 75 11.287 8.925 8.943 1.00 0.00 O ATOM 0 H ASP A 75 11.360 5.519 9.911 1.00 0.00 H new ATOM 0 HA ASP A 75 12.431 7.473 11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.020 7.059 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.658 7.981 11.443 1.00 0.00 H new ATOM 1169 N GLY A 76 10.613 7.567 13.692 1.00 0.00 N ATOM 1170 CA GLY A 76 10.101 7.321 15.070 1.00 0.00 C ATOM 1171 C GLY A 76 8.575 7.216 15.048 1.00 0.00 C ATOM 1172 O GLY A 76 8.017 6.138 15.082 1.00 0.00 O ATOM 0 H GLY A 76 10.632 8.545 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.532 6.402 15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.409 8.131 15.732 1.00 0.00 H new ATOM 1176 N ALA A 77 7.896 8.330 14.997 1.00 0.00 N ATOM 1177 CA ALA A 77 6.406 8.296 14.982 1.00 0.00 C ATOM 1178 C ALA A 77 5.907 8.025 13.560 1.00 0.00 C ATOM 1179 O ALA A 77 5.118 8.775 13.018 1.00 0.00 O ATOM 1180 CB ALA A 77 5.862 9.641 15.468 1.00 0.00 C ATOM 0 H ALA A 77 8.309 9.262 14.965 1.00 0.00 H new ATOM 0 HA ALA A 77 6.057 7.501 15.641 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.772 9.618 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.211 9.829 16.483 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.214 10.435 14.810 1.00 0.00 H new ATOM 1186 N MET A 78 6.360 6.958 12.955 1.00 0.00 N ATOM 1187 CA MET A 78 5.914 6.628 11.568 1.00 0.00 C ATOM 1188 C MET A 78 5.633 5.128 11.471 1.00 0.00 C ATOM 1189 O MET A 78 5.290 4.617 10.422 1.00 0.00 O ATOM 1190 CB MET A 78 7.016 7.000 10.574 1.00 0.00 C ATOM 1191 CG MET A 78 7.193 8.519 10.544 1.00 0.00 C ATOM 1192 SD MET A 78 5.720 9.286 9.822 1.00 0.00 S ATOM 1193 CE MET A 78 6.580 10.490 8.781 1.00 0.00 C ATOM 0 H MET A 78 7.022 6.298 13.363 1.00 0.00 H new ATOM 0 HA MET A 78 5.009 7.188 11.335 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.953 6.521 10.859 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.760 6.634 9.579 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.355 8.897 11.554 1.00 0.00 H new ATOM 0 HG3 MET A 78 8.075 8.781 9.960 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.849 11.085 8.233 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.185 11.145 9.407 1.00 0.00 H new ATOM 0 HE3 MET A 78 7.224 9.966 8.075 1.00 0.00 H new ATOM 1203 N SER A 79 5.776 4.416 12.555 1.00 0.00 N ATOM 1204 CA SER A 79 5.518 2.950 12.526 1.00 0.00 C ATOM 1205 C SER A 79 4.075 2.679 12.952 1.00 0.00 C ATOM 1206 O SER A 79 3.824 1.996 13.925 1.00 0.00 O ATOM 1207 CB SER A 79 6.473 2.252 13.495 1.00 0.00 C ATOM 1208 OG SER A 79 7.746 2.884 13.438 1.00 0.00 O ATOM 0 H SER A 79 6.061 4.788 13.461 1.00 0.00 H new ATOM 0 HA SER A 79 5.676 2.570 11.517 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.077 2.297 14.510 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.566 1.197 13.236 1.00 0.00 H new ATOM 0 HG SER A 79 8.360 2.440 14.059 1.00 0.00 H new ATOM 1214 N ALA A 80 3.120 3.209 12.237 1.00 0.00 N ATOM 1215 CA ALA A 80 1.698 2.974 12.617 1.00 0.00 C ATOM 1216 C ALA A 80 0.806 2.998 11.375 1.00 0.00 C ATOM 1217 O ALA A 80 -0.204 2.323 11.316 1.00 0.00 O ATOM 1218 CB ALA A 80 1.245 4.066 13.589 1.00 0.00 C ATOM 0 H ALA A 80 3.261 3.791 11.411 1.00 0.00 H new ATOM 0 HA ALA A 80 1.616 1.997 13.093 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.205 3.896 13.868 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.869 4.040 14.482 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.337 5.041 13.110 1.00 0.00 H new ATOM 1224 N LEU A 81 1.155 3.770 10.383 1.00 0.00 N ATOM 1225 CA LEU A 81 0.305 3.827 9.166 1.00 0.00 C ATOM 1226 C LEU A 81 0.406 2.480 8.401 1.00 0.00 C ATOM 1227 O LEU A 81 1.489 2.116 7.986 1.00 0.00 O ATOM 1228 CB LEU A 81 0.792 4.960 8.257 1.00 0.00 C ATOM 1229 CG LEU A 81 0.944 6.274 9.043 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.999 7.439 8.053 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -0.248 6.489 9.985 1.00 0.00 C ATOM 0 H LEU A 81 1.987 4.360 10.364 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.730 4.008 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.748 4.687 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.087 5.102 7.438 1.00 0.00 H new ATOM 0 HG LEU A 81 1.858 6.222 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.107 8.376 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.850 7.309 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.079 7.464 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.117 7.424 10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.168 6.534 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.306 5.662 10.693 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.702 1.762 8.232 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.681 0.463 7.519 1.00 0.00 C ATOM 1245 C PRO A 82 -0.174 0.577 6.075 1.00 0.00 C ATOM 1246 O PRO A 82 -0.876 1.035 5.193 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.144 -0.009 7.505 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.990 1.050 8.244 1.00 0.00 C ATOM 1249 CD PRO A 82 -2.043 2.154 8.725 1.00 0.00 C ATOM 0 HA PRO A 82 -0.001 -0.226 8.021 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.496 -0.132 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.237 -0.980 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.751 1.462 7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.512 0.600 9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.339 3.126 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.054 2.236 9.812 1.00 0.00 H new ATOM 1257 N VAL A 83 1.014 0.095 5.817 1.00 0.00 N ATOM 1258 CA VAL A 83 1.535 0.100 4.418 1.00 0.00 C ATOM 1259 C VAL A 83 1.297 -1.282 3.855 1.00 0.00 C ATOM 1260 O VAL A 83 1.898 -2.241 4.297 1.00 0.00 O ATOM 1261 CB VAL A 83 3.055 0.372 4.383 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.732 -0.447 3.255 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.324 1.848 4.114 1.00 0.00 C ATOM 0 H VAL A 83 1.645 -0.301 6.514 1.00 0.00 H new ATOM 0 HA VAL A 83 1.032 0.881 3.848 1.00 0.00 H new ATOM 0 HB VAL A 83 3.462 0.082 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.802 -0.241 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.569 -1.511 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.302 -0.167 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.400 2.024 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.891 2.128 3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.874 2.450 4.904 1.00 0.00 H new ATOM 1273 N LEU A 84 0.449 -1.411 2.880 1.00 0.00 N ATOM 1274 CA LEU A 84 0.244 -2.756 2.312 1.00 0.00 C ATOM 1275 C LEU A 84 1.131 -2.898 1.090 1.00 0.00 C ATOM 1276 O LEU A 84 0.833 -2.380 0.032 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.210 -2.960 1.907 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.563 -4.461 1.933 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.509 -5.283 1.176 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -1.641 -4.977 3.379 1.00 0.00 C ATOM 0 H LEU A 84 -0.098 -0.659 2.462 1.00 0.00 H new ATOM 0 HA LEU A 84 0.496 -3.505 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.865 -2.413 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.377 -2.557 0.908 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.533 -4.576 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.779 -6.339 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.465 -4.951 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.466 -5.144 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.891 -6.038 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.678 -4.834 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.409 -4.426 3.921 1.00 0.00 H new ATOM 1292 N MET A 85 2.219 -3.594 1.215 1.00 0.00 N ATOM 1293 CA MET A 85 3.101 -3.752 0.040 1.00 0.00 C ATOM 1294 C MET A 85 2.373 -4.630 -0.976 1.00 0.00 C ATOM 1295 O MET A 85 1.736 -5.601 -0.617 1.00 0.00 O ATOM 1296 CB MET A 85 4.423 -4.404 0.464 1.00 0.00 C ATOM 1297 CG MET A 85 5.276 -4.727 -0.770 1.00 0.00 C ATOM 1298 SD MET A 85 5.505 -3.236 -1.770 1.00 0.00 S ATOM 1299 CE MET A 85 6.943 -2.580 -0.892 1.00 0.00 C ATOM 0 H MET A 85 2.532 -4.055 2.070 1.00 0.00 H new ATOM 0 HA MET A 85 3.331 -2.782 -0.401 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.970 -3.735 1.128 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.223 -5.317 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.245 -5.120 -0.460 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.793 -5.503 -1.364 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.833 -1.503 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.018 -3.053 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.846 -2.788 -1.466 1.00 0.00 H new ATOM 1309 N VAL A 86 2.439 -4.281 -2.230 1.00 0.00 N ATOM 1310 CA VAL A 86 1.724 -5.074 -3.271 1.00 0.00 C ATOM 1311 C VAL A 86 2.701 -5.571 -4.328 1.00 0.00 C ATOM 1312 O VAL A 86 3.687 -4.928 -4.629 1.00 0.00 O ATOM 1313 CB VAL A 86 0.686 -4.175 -3.925 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.260 -5.020 -4.772 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.102 -3.459 -2.831 1.00 0.00 C ATOM 0 H VAL A 86 2.959 -3.477 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 86 1.248 -5.939 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 86 1.178 -3.443 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.004 -4.375 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.308 -5.539 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.762 -5.751 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.850 -2.811 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.597 -4.195 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.578 -2.859 -2.226 1.00 0.00 H new ATOM 1325 N THR A 87 2.436 -6.713 -4.898 1.00 0.00 N ATOM 1326 CA THR A 87 3.362 -7.240 -5.943 1.00 0.00 C ATOM 1327 C THR A 87 2.585 -8.085 -6.950 1.00 0.00 C ATOM 1328 O THR A 87 1.612 -8.729 -6.615 1.00 0.00 O ATOM 1329 CB THR A 87 4.435 -8.098 -5.276 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.926 -9.058 -6.203 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.819 -8.807 -4.075 1.00 0.00 C ATOM 0 H THR A 87 1.628 -7.300 -4.690 1.00 0.00 H new ATOM 0 HA THR A 87 3.829 -6.406 -6.466 1.00 0.00 H new ATOM 0 HB THR A 87 5.263 -7.469 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.719 -9.497 -5.830 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.575 -9.424 -3.589 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.445 -8.067 -3.368 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.995 -9.438 -4.408 1.00 0.00 H new ATOM 1339 N ALA A 88 3.014 -8.100 -8.181 1.00 0.00 N ATOM 1340 CA ALA A 88 2.302 -8.917 -9.200 1.00 0.00 C ATOM 1341 C ALA A 88 2.934 -10.308 -9.245 1.00 0.00 C ATOM 1342 O ALA A 88 2.252 -11.313 -9.243 1.00 0.00 O ATOM 1343 CB ALA A 88 2.423 -8.251 -10.573 1.00 0.00 C ATOM 0 H ALA A 88 3.824 -7.584 -8.524 1.00 0.00 H new ATOM 0 HA ALA A 88 1.247 -8.998 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.900 -8.853 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.980 -7.256 -10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.475 -8.170 -10.847 1.00 0.00 H new ATOM 1349 N GLU A 89 4.237 -10.372 -9.270 1.00 0.00 N ATOM 1350 CA GLU A 89 4.920 -11.693 -9.297 1.00 0.00 C ATOM 1351 C GLU A 89 5.253 -12.099 -7.859 1.00 0.00 C ATOM 1352 O GLU A 89 6.338 -12.563 -7.567 1.00 0.00 O ATOM 1353 CB GLU A 89 6.209 -11.586 -10.117 1.00 0.00 C ATOM 1354 CG GLU A 89 6.072 -10.458 -11.142 1.00 0.00 C ATOM 1355 CD GLU A 89 7.281 -10.472 -12.081 1.00 0.00 C ATOM 1356 OE1 GLU A 89 7.962 -11.482 -12.123 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.504 -9.471 -12.742 1.00 0.00 O ATOM 0 H GLU A 89 4.858 -9.563 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 89 4.272 -12.441 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.056 -11.392 -9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.409 -12.530 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.152 -10.582 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.004 -9.496 -10.633 1.00 0.00 H new ATOM 1364 N ALA A 90 4.325 -11.914 -6.958 1.00 0.00 N ATOM 1365 CA ALA A 90 4.574 -12.270 -5.533 1.00 0.00 C ATOM 1366 C ALA A 90 5.269 -13.629 -5.445 1.00 0.00 C ATOM 1367 O ALA A 90 4.636 -14.666 -5.431 1.00 0.00 O ATOM 1368 CB ALA A 90 3.244 -12.319 -4.777 1.00 0.00 C ATOM 0 H ALA A 90 3.400 -11.529 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 90 5.218 -11.514 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.427 -12.580 -3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.761 -11.343 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.596 -13.069 -5.230 1.00 0.00 H new ATOM 1374 N LYS A 91 6.572 -13.626 -5.378 1.00 0.00 N ATOM 1375 CA LYS A 91 7.322 -14.907 -5.281 1.00 0.00 C ATOM 1376 C LYS A 91 7.617 -15.199 -3.810 1.00 0.00 C ATOM 1377 O LYS A 91 7.881 -14.302 -3.035 1.00 0.00 O ATOM 1378 CB LYS A 91 8.640 -14.784 -6.049 1.00 0.00 C ATOM 1379 CG LYS A 91 8.606 -15.693 -7.278 1.00 0.00 C ATOM 1380 CD LYS A 91 9.904 -15.525 -8.071 1.00 0.00 C ATOM 1381 CE LYS A 91 9.805 -16.306 -9.382 1.00 0.00 C ATOM 1382 NZ LYS A 91 8.625 -17.213 -9.331 1.00 0.00 N ATOM 0 H LYS A 91 7.151 -12.786 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 91 6.729 -15.716 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.799 -13.750 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.475 -15.059 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.486 -16.732 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.749 -15.444 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.083 -14.470 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.750 -15.884 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.712 -15.617 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.715 -16.884 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.567 -17.757 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.724 -17.867 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.759 -16.649 -9.214 1.00 0.00 H new ATOM 1396 N LYS A 92 7.576 -16.442 -3.418 1.00 0.00 N ATOM 1397 CA LYS A 92 7.856 -16.778 -1.994 1.00 0.00 C ATOM 1398 C LYS A 92 9.127 -16.054 -1.543 1.00 0.00 C ATOM 1399 O LYS A 92 9.399 -15.930 -0.365 1.00 0.00 O ATOM 1400 CB LYS A 92 8.054 -18.289 -1.856 1.00 0.00 C ATOM 1401 CG LYS A 92 6.824 -19.018 -2.399 1.00 0.00 C ATOM 1402 CD LYS A 92 7.028 -20.529 -2.274 1.00 0.00 C ATOM 1403 CE LYS A 92 5.885 -21.132 -1.455 1.00 0.00 C ATOM 1404 NZ LYS A 92 4.594 -20.906 -2.163 1.00 0.00 N ATOM 0 H LYS A 92 7.362 -17.237 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 92 7.017 -16.464 -1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.945 -18.601 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.213 -18.551 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.935 -18.714 -1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.659 -18.748 -3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.061 -20.985 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.984 -20.739 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.051 -22.200 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.854 -20.677 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.930 -21.671 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.191 -19.994 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.758 -20.896 -3.190 1.00 0.00 H new ATOM 1418 N GLU A 93 9.912 -15.581 -2.474 1.00 0.00 N ATOM 1419 CA GLU A 93 11.164 -14.878 -2.108 1.00 0.00 C ATOM 1420 C GLU A 93 10.899 -13.377 -1.945 1.00 0.00 C ATOM 1421 O GLU A 93 11.351 -12.759 -1.001 1.00 0.00 O ATOM 1422 CB GLU A 93 12.206 -15.093 -3.207 1.00 0.00 C ATOM 1423 CG GLU A 93 12.601 -16.570 -3.254 1.00 0.00 C ATOM 1424 CD GLU A 93 14.043 -16.729 -2.770 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.274 -16.543 -1.587 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.893 -17.033 -3.592 1.00 0.00 O ATOM 0 H GLU A 93 9.734 -15.654 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 93 11.534 -15.278 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.803 -14.783 -4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.084 -14.477 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.929 -17.157 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.503 -16.951 -4.271 1.00 0.00 H new ATOM 1433 N ASN A 94 10.182 -12.780 -2.860 1.00 0.00 N ATOM 1434 CA ASN A 94 9.910 -11.317 -2.753 1.00 0.00 C ATOM 1435 C ASN A 94 8.725 -11.070 -1.814 1.00 0.00 C ATOM 1436 O ASN A 94 8.489 -9.959 -1.383 1.00 0.00 O ATOM 1437 CB ASN A 94 9.595 -10.748 -4.137 1.00 0.00 C ATOM 1438 CG ASN A 94 8.254 -10.013 -4.098 1.00 0.00 C ATOM 1439 OD1 ASN A 94 7.153 -10.695 -3.937 1.00 0.00 O flip ATOM 1440 ND2 ASN A 94 8.207 -8.804 -4.215 1.00 0.00 N flip ATOM 0 H ASN A 94 9.774 -13.240 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 94 10.793 -10.821 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.386 -10.066 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.559 -11.552 -4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.067 -8.270 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.308 -8.324 -4.187 1.00 0.00 H new ATOM 1447 N ILE A 95 7.979 -12.088 -1.485 1.00 0.00 N ATOM 1448 CA ILE A 95 6.823 -11.884 -0.566 1.00 0.00 C ATOM 1449 C ILE A 95 7.360 -11.671 0.848 1.00 0.00 C ATOM 1450 O ILE A 95 6.955 -10.764 1.548 1.00 0.00 O ATOM 1451 CB ILE A 95 5.912 -13.116 -0.593 1.00 0.00 C ATOM 1452 CG1 ILE A 95 4.914 -12.981 -1.747 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.149 -13.221 0.732 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.175 -14.307 -1.946 1.00 0.00 C ATOM 0 H ILE A 95 8.117 -13.045 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 95 6.246 -11.015 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 95 6.516 -14.012 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.201 -12.185 -1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.437 -12.704 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.502 -14.098 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.859 -13.314 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.543 -12.326 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.466 -14.208 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.894 -15.093 -2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.639 -14.565 -1.033 1.00 0.00 H new ATOM 1466 N ILE A 96 8.275 -12.497 1.269 1.00 0.00 N ATOM 1467 CA ILE A 96 8.849 -12.342 2.632 1.00 0.00 C ATOM 1468 C ILE A 96 9.808 -11.151 2.633 1.00 0.00 C ATOM 1469 O ILE A 96 10.199 -10.659 3.671 1.00 0.00 O ATOM 1470 CB ILE A 96 9.611 -13.616 3.012 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.618 -14.694 3.451 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.575 -13.317 4.163 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.222 -16.077 3.199 1.00 0.00 C ATOM 0 H ILE A 96 8.651 -13.275 0.726 1.00 0.00 H new ATOM 0 HA ILE A 96 8.050 -12.172 3.354 1.00 0.00 H new ATOM 0 HB ILE A 96 10.175 -13.968 2.148 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.381 -14.576 4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.683 -14.588 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 96 11.115 -14.225 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.285 -12.550 3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.012 -12.962 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.515 -16.845 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.437 -16.192 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.145 -16.180 3.769 1.00 0.00 H new ATOM 1485 N ALA A 97 10.189 -10.686 1.473 1.00 0.00 N ATOM 1486 CA ALA A 97 11.126 -9.527 1.400 1.00 0.00 C ATOM 1487 C ALA A 97 10.465 -8.286 2.004 1.00 0.00 C ATOM 1488 O ALA A 97 11.073 -7.554 2.758 1.00 0.00 O ATOM 1489 CB ALA A 97 11.493 -9.256 -0.058 1.00 0.00 C ATOM 0 H ALA A 97 9.891 -11.059 0.572 1.00 0.00 H new ATOM 0 HA ALA A 97 12.030 -9.760 1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.177 -8.409 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.974 -10.138 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.590 -9.028 -0.624 1.00 0.00 H new ATOM 1495 N ALA A 98 9.222 -8.044 1.690 1.00 0.00 N ATOM 1496 CA ALA A 98 8.540 -6.852 2.272 1.00 0.00 C ATOM 1497 C ALA A 98 8.357 -7.080 3.759 1.00 0.00 C ATOM 1498 O ALA A 98 8.810 -6.313 4.584 1.00 0.00 O ATOM 1499 CB ALA A 98 7.156 -6.666 1.653 1.00 0.00 C ATOM 0 H ALA A 98 8.653 -8.613 1.063 1.00 0.00 H new ATOM 0 HA ALA A 98 9.148 -5.969 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.676 -5.791 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.255 -6.524 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.548 -7.550 1.848 1.00 0.00 H new ATOM 1505 N ALA A 99 7.679 -8.133 4.106 1.00 0.00 N ATOM 1506 CA ALA A 99 7.447 -8.416 5.532 1.00 0.00 C ATOM 1507 C ALA A 99 8.794 -8.524 6.250 1.00 0.00 C ATOM 1508 O ALA A 99 8.890 -8.273 7.433 1.00 0.00 O ATOM 1509 CB ALA A 99 6.682 -9.728 5.680 1.00 0.00 C ATOM 0 H ALA A 99 7.277 -8.809 3.456 1.00 0.00 H new ATOM 0 HA ALA A 99 6.861 -7.609 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.513 -9.933 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.723 -9.650 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.263 -10.539 5.241 1.00 0.00 H new ATOM 1515 N GLN A 100 9.848 -8.879 5.549 1.00 0.00 N ATOM 1516 CA GLN A 100 11.168 -8.954 6.233 1.00 0.00 C ATOM 1517 C GLN A 100 11.364 -7.605 6.902 1.00 0.00 C ATOM 1518 O GLN A 100 11.912 -7.491 7.980 1.00 0.00 O ATOM 1519 CB GLN A 100 12.295 -9.209 5.227 1.00 0.00 C ATOM 1520 CG GLN A 100 12.909 -10.586 5.493 1.00 0.00 C ATOM 1521 CD GLN A 100 13.957 -10.899 4.424 1.00 0.00 C ATOM 1522 OE1 GLN A 100 14.091 -10.099 3.403 1.00 0.00 O flip ATOM 1523 NE2 GLN A 100 14.665 -11.882 4.521 1.00 0.00 N flip ATOM 0 H GLN A 100 9.848 -9.114 4.556 1.00 0.00 H new ATOM 0 HA GLN A 100 11.191 -9.774 6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.907 -9.161 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.058 -8.435 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.367 -10.606 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.131 -11.349 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.561 -12.509 5.319 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.363 -12.080 3.804 1.00 0.00 H new ATOM 1532 N ALA A 101 10.840 -6.588 6.278 1.00 0.00 N ATOM 1533 CA ALA A 101 10.897 -5.232 6.871 1.00 0.00 C ATOM 1534 C ALA A 101 9.729 -5.172 7.847 1.00 0.00 C ATOM 1535 O ALA A 101 9.773 -4.527 8.876 1.00 0.00 O ATOM 1536 CB ALA A 101 10.728 -4.180 5.774 1.00 0.00 C ATOM 0 H ALA A 101 10.371 -6.643 5.374 1.00 0.00 H new ATOM 0 HA ALA A 101 11.848 -5.037 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.771 -3.184 6.215 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.528 -4.287 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.765 -4.318 5.283 1.00 0.00 H new ATOM 1542 N GLY A 102 8.700 -5.915 7.529 1.00 0.00 N ATOM 1543 CA GLY A 102 7.517 -6.015 8.410 1.00 0.00 C ATOM 1544 C GLY A 102 6.644 -4.772 8.353 1.00 0.00 C ATOM 1545 O GLY A 102 6.562 -4.041 9.319 1.00 0.00 O ATOM 0 H GLY A 102 8.637 -6.466 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.926 -6.884 8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 102 7.845 -6.178 9.437 1.00 0.00 H new ATOM 1549 N ALA A 103 5.956 -4.517 7.265 1.00 0.00 N ATOM 1550 CA ALA A 103 5.091 -3.308 7.289 1.00 0.00 C ATOM 1551 C ALA A 103 3.710 -3.683 7.799 1.00 0.00 C ATOM 1552 O ALA A 103 3.526 -4.094 8.928 1.00 0.00 O ATOM 1553 CB ALA A 103 4.906 -2.829 5.854 1.00 0.00 C ATOM 0 H ALA A 103 5.956 -5.065 6.405 1.00 0.00 H new ATOM 0 HA ALA A 103 5.548 -2.548 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.274 -1.941 5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.877 -2.587 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.434 -3.616 5.266 1.00 0.00 H new ATOM 1559 N SER A 104 2.761 -3.616 6.926 1.00 0.00 N ATOM 1560 CA SER A 104 1.376 -4.042 7.266 1.00 0.00 C ATOM 1561 C SER A 104 1.229 -5.509 6.898 1.00 0.00 C ATOM 1562 O SER A 104 0.749 -6.333 7.652 1.00 0.00 O ATOM 1563 CB SER A 104 0.354 -3.204 6.504 1.00 0.00 C ATOM 1564 OG SER A 104 0.057 -3.839 5.275 1.00 0.00 O ATOM 0 H SER A 104 2.881 -3.279 5.971 1.00 0.00 H new ATOM 0 HA SER A 104 1.196 -3.899 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.554 -3.088 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.747 -2.203 6.325 1.00 0.00 H new ATOM 0 HG SER A 104 0.809 -3.724 4.657 1.00 0.00 H new ATOM 1570 N GLY A 105 1.629 -5.806 5.689 1.00 0.00 N ATOM 1571 CA GLY A 105 1.526 -7.188 5.142 1.00 0.00 C ATOM 1572 C GLY A 105 1.737 -7.133 3.626 1.00 0.00 C ATOM 1573 O GLY A 105 2.146 -6.116 3.094 1.00 0.00 O ATOM 0 H GLY A 105 2.033 -5.128 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.272 -7.834 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.549 -7.614 5.372 1.00 0.00 H new ATOM 1577 N TYR A 106 1.461 -8.208 2.928 1.00 0.00 N ATOM 1578 CA TYR A 106 1.643 -8.208 1.442 1.00 0.00 C ATOM 1579 C TYR A 106 0.408 -8.783 0.768 1.00 0.00 C ATOM 1580 O TYR A 106 -0.285 -9.622 1.311 1.00 0.00 O ATOM 1581 CB TYR A 106 2.848 -9.069 1.047 1.00 0.00 C ATOM 1582 CG TYR A 106 2.405 -10.159 0.084 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.166 -9.869 -1.272 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.237 -11.471 0.547 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.763 -10.888 -2.144 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.834 -12.485 -0.329 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.597 -12.193 -1.673 1.00 0.00 C ATOM 1588 OH TYR A 106 1.199 -13.193 -2.537 1.00 0.00 O ATOM 0 H TYR A 106 1.118 -9.084 3.322 1.00 0.00 H new ATOM 0 HA TYR A 106 1.805 -7.178 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.614 -8.448 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.295 -9.515 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.293 -8.862 -1.640 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.420 -11.701 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.580 -10.664 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.706 -13.494 0.035 1.00 0.00 H new ATOM 0 HH TYR A 106 1.133 -14.040 -2.049 1.00 0.00 H new ATOM 1598 N VAL A 107 0.149 -8.348 -0.426 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.016 -8.868 -1.177 1.00 0.00 C ATOM 1600 C VAL A 107 -0.635 -8.951 -2.647 1.00 0.00 C ATOM 1601 O VAL A 107 -0.046 -8.039 -3.196 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.203 -7.920 -1.029 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -1.893 -6.607 -1.757 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.442 -8.572 -1.645 1.00 0.00 C ATOM 0 H VAL A 107 0.701 -7.646 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.293 -9.848 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.387 -7.714 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.738 -5.926 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.004 -6.151 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.716 -6.810 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.295 -7.901 -1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.261 -8.771 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.654 -9.509 -1.130 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.968 -10.020 -3.300 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.621 -10.111 -4.732 1.00 0.00 C ATOM 1616 C VAL A 108 -1.668 -9.319 -5.525 1.00 0.00 C ATOM 1617 O VAL A 108 -2.765 -9.103 -5.052 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.629 -11.574 -5.181 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -2.033 -12.153 -5.007 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.224 -11.657 -6.654 1.00 0.00 C ATOM 0 H VAL A 108 -1.459 -10.824 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 108 0.375 -9.703 -4.904 1.00 0.00 H new ATOM 0 HB VAL A 108 0.077 -12.143 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.039 -13.195 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.324 -12.094 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.739 -11.584 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.229 -12.699 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.930 -11.088 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.777 -11.244 -6.780 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.340 -8.879 -6.713 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.321 -8.093 -7.526 1.00 0.00 C ATOM 1632 C LYS A 109 -2.384 -8.689 -8.945 1.00 0.00 C ATOM 1633 O LYS A 109 -1.453 -9.354 -9.356 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.855 -6.623 -7.565 1.00 0.00 C ATOM 1635 CG LYS A 109 -1.360 -6.223 -8.964 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.800 -4.800 -8.908 1.00 0.00 C ATOM 1637 CE LYS A 109 0.724 -4.848 -9.021 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.268 -5.782 -7.996 1.00 0.00 N ATOM 0 H LYS A 109 -0.434 -9.030 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.318 -8.138 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.678 -5.972 -7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.055 -6.475 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.591 -6.917 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -2.178 -6.277 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.217 -4.201 -9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.091 -4.319 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.015 -5.176 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.142 -3.851 -8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.305 -5.815 -8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.001 -5.450 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.879 -6.734 -8.152 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.446 -8.414 -9.680 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.606 -7.607 -9.223 1.00 0.00 C ATOM 1654 C PRO A 110 -5.479 -8.414 -8.252 1.00 0.00 C ATOM 1655 O PRO A 110 -5.861 -9.532 -8.534 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.414 -7.336 -10.501 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.691 -8.042 -11.675 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.539 -8.864 -11.079 1.00 0.00 C ATOM 0 HA PRO A 110 -4.288 -6.701 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.432 -7.712 -10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.488 -6.264 -10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.381 -8.687 -12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.311 -7.310 -12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.743 -9.933 -11.139 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.607 -8.687 -11.615 1.00 0.00 H new ATOM 1666 N PHE A 111 -5.806 -7.854 -7.120 1.00 0.00 N ATOM 1667 CA PHE A 111 -6.661 -8.596 -6.150 1.00 0.00 C ATOM 1668 C PHE A 111 -8.121 -8.294 -6.440 1.00 0.00 C ATOM 1669 O PHE A 111 -8.446 -7.517 -7.316 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.365 -8.136 -4.710 1.00 0.00 C ATOM 1671 CG PHE A 111 -5.983 -6.669 -4.691 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -6.857 -5.692 -5.195 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.739 -6.286 -4.187 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.477 -4.349 -5.195 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.361 -4.943 -4.193 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.227 -3.975 -4.702 1.00 0.00 C ATOM 0 H PHE A 111 -5.520 -6.920 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 111 -6.452 -9.661 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.241 -8.298 -4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.557 -8.734 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.823 -5.980 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.066 -7.032 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.152 -3.598 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.397 -4.652 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.930 -2.937 -4.714 1.00 0.00 H new ATOM 1686 N THR A 112 -8.992 -8.859 -5.662 1.00 0.00 N ATOM 1687 CA THR A 112 -10.440 -8.578 -5.810 1.00 0.00 C ATOM 1688 C THR A 112 -10.841 -7.778 -4.581 1.00 0.00 C ATOM 1689 O THR A 112 -10.308 -7.990 -3.509 1.00 0.00 O ATOM 1690 CB THR A 112 -11.232 -9.885 -5.861 1.00 0.00 C ATOM 1691 OG1 THR A 112 -10.371 -10.945 -6.249 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.372 -9.749 -6.872 1.00 0.00 C ATOM 0 H THR A 112 -8.758 -9.515 -4.917 1.00 0.00 H new ATOM 0 HA THR A 112 -10.645 -8.033 -6.731 1.00 0.00 H new ATOM 0 HB THR A 112 -11.647 -10.100 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.878 -11.783 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.938 -10.680 -6.910 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.031 -8.936 -6.570 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.960 -9.535 -7.858 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.743 -6.854 -4.703 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.116 -6.057 -3.504 1.00 0.00 C ATOM 1702 C ALA A 113 -12.414 -7.007 -2.350 1.00 0.00 C ATOM 1703 O ALA A 113 -12.447 -6.615 -1.203 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.341 -5.191 -3.807 1.00 0.00 C ATOM 0 H ALA A 113 -12.234 -6.616 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.291 -5.400 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.605 -4.612 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.113 -4.513 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.179 -5.830 -4.085 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.594 -8.262 -2.643 1.00 0.00 N ATOM 1711 CA ALA A 114 -12.849 -9.236 -1.556 1.00 0.00 C ATOM 1712 C ALA A 114 -11.506 -9.652 -0.968 1.00 0.00 C ATOM 1713 O ALA A 114 -11.370 -9.836 0.225 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.580 -10.459 -2.112 1.00 0.00 C ATOM 0 H ALA A 114 -12.575 -8.652 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.473 -8.786 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.764 -11.170 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.531 -10.149 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -12.967 -10.931 -2.880 1.00 0.00 H new ATOM 1720 N THR A 115 -10.499 -9.777 -1.792 1.00 0.00 N ATOM 1721 CA THR A 115 -9.167 -10.153 -1.256 1.00 0.00 C ATOM 1722 C THR A 115 -8.607 -8.955 -0.490 1.00 0.00 C ATOM 1723 O THR A 115 -8.362 -9.052 0.697 1.00 0.00 O ATOM 1724 CB THR A 115 -8.218 -10.552 -2.385 1.00 0.00 C ATOM 1725 OG1 THR A 115 -8.931 -10.595 -3.612 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.629 -11.933 -2.088 1.00 0.00 C ATOM 0 H THR A 115 -10.544 -9.636 -2.801 1.00 0.00 H new ATOM 0 HA THR A 115 -9.267 -11.012 -0.593 1.00 0.00 H new ATOM 0 HB THR A 115 -7.413 -9.820 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.845 -11.487 -4.009 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.951 -12.220 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.081 -11.900 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.434 -12.664 -2.014 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.408 -7.814 -1.126 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.883 -6.661 -0.346 1.00 0.00 C ATOM 1736 C LEU A 116 -8.739 -6.500 0.916 1.00 0.00 C ATOM 1737 O LEU A 116 -8.234 -6.239 1.990 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.964 -5.363 -1.168 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.566 -4.784 -1.450 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.717 -3.395 -2.065 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.754 -4.643 -0.162 1.00 0.00 C ATOM 0 H LEU A 116 -8.582 -7.644 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.840 -6.849 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.474 -5.560 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.562 -4.627 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.049 -5.464 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.731 -2.978 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.278 -3.469 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -7.250 -2.746 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.772 -4.232 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.274 -3.975 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.637 -5.622 0.303 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.038 -6.656 0.798 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.911 -6.511 1.994 1.00 0.00 C ATOM 1755 C GLU A 117 -10.499 -7.533 3.054 1.00 0.00 C ATOM 1756 O GLU A 117 -10.219 -7.193 4.186 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.371 -6.749 1.597 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.234 -6.886 2.854 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.415 -8.368 3.192 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.060 -9.056 2.419 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.907 -8.788 4.218 1.00 0.00 O ATOM 0 H GLU A 117 -10.523 -6.876 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.805 -5.504 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.731 -5.921 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.450 -7.651 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.764 -6.367 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.205 -6.418 2.694 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.465 -8.783 2.692 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.076 -9.836 3.671 1.00 0.00 C ATOM 1770 C GLU A 118 -8.806 -9.407 4.408 1.00 0.00 C ATOM 1771 O GLU A 118 -8.749 -9.417 5.622 1.00 0.00 O ATOM 1772 CB GLU A 118 -9.815 -11.148 2.928 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.716 -12.296 3.935 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.997 -13.131 3.885 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -11.302 -13.649 2.823 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.652 -13.236 4.908 1.00 0.00 O ATOM 0 H GLU A 118 -10.690 -9.123 1.757 1.00 0.00 H new ATOM 0 HA GLU A 118 -10.882 -9.978 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.619 -11.342 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.892 -11.075 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.853 -12.921 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.566 -11.901 4.940 1.00 0.00 H new ATOM 1783 N LYS A 119 -7.787 -9.030 3.685 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.524 -8.602 4.349 1.00 0.00 C ATOM 1785 C LYS A 119 -6.805 -7.404 5.259 1.00 0.00 C ATOM 1786 O LYS A 119 -6.273 -7.302 6.346 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.498 -8.200 3.287 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.186 -8.946 3.538 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.379 -10.441 3.262 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.439 -10.879 2.135 1.00 0.00 C ATOM 1791 NZ LYS A 119 -2.027 -10.777 2.600 1.00 0.00 N ATOM 0 H LYS A 119 -7.775 -9.000 2.666 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.131 -9.427 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.877 -8.434 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.329 -7.124 3.318 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.401 -8.546 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.863 -8.796 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.175 -11.017 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.414 -10.640 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.662 -11.904 1.838 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.590 -10.252 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.530 -10.051 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.011 -10.514 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.553 -11.694 2.474 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.633 -6.496 4.822 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.941 -5.305 5.663 1.00 0.00 C ATOM 1807 C LEU A 120 -8.416 -5.763 7.042 1.00 0.00 C ATOM 1808 O LEU A 120 -7.741 -5.572 8.033 1.00 0.00 O ATOM 1809 CB LEU A 120 -9.037 -4.471 4.992 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.847 -2.992 5.339 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.921 -2.342 4.310 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -10.204 -2.283 5.316 1.00 0.00 C ATOM 0 H LEU A 120 -8.109 -6.527 3.920 1.00 0.00 H new ATOM 0 HA LEU A 120 -7.043 -4.697 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.001 -4.608 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.019 -4.809 5.324 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.407 -2.907 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.785 -1.289 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.954 -2.845 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.363 -2.428 3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -10.069 -1.230 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.643 -2.369 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.868 -2.745 6.047 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.574 -6.363 7.118 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.087 -6.827 8.438 1.00 0.00 C ATOM 1826 C ASN A 121 -8.976 -7.565 9.186 1.00 0.00 C ATOM 1827 O ASN A 121 -8.720 -7.312 10.346 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.271 -7.770 8.222 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.184 -7.740 9.451 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -11.852 -7.144 10.456 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.330 -8.363 9.412 1.00 0.00 N ATOM 0 H ASN A 121 -10.186 -6.551 6.324 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.410 -5.967 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.829 -7.471 7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.913 -8.785 8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.946 -8.349 10.225 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.610 -8.864 8.569 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.314 -8.472 8.527 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.215 -9.225 9.194 1.00 0.00 C ATOM 1840 C LYS A 122 -6.305 -8.243 9.932 1.00 0.00 C ATOM 1841 O LYS A 122 -5.864 -8.494 11.036 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.403 -9.981 8.140 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.794 -11.236 8.769 1.00 0.00 C ATOM 1844 CD LYS A 122 -4.973 -11.988 7.719 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.999 -13.486 8.027 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.007 -14.187 7.164 1.00 0.00 N ATOM 0 H LYS A 122 -8.486 -8.726 7.554 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.637 -9.936 9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.042 -10.255 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.615 -9.340 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.161 -10.962 9.613 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.583 -11.880 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.379 -11.803 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.945 -11.624 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.767 -13.656 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.997 -13.887 7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.024 -15.206 7.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.248 -14.034 6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.056 -13.811 7.352 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.028 -7.123 9.328 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.154 -6.110 9.984 1.00 0.00 C ATOM 1862 C ILE A 123 -5.987 -5.286 10.960 1.00 0.00 C ATOM 1863 O ILE A 123 -5.706 -5.217 12.139 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.579 -5.174 8.914 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.744 -5.987 7.924 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.693 -4.095 9.556 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -3.518 -5.163 6.657 1.00 0.00 C ATOM 0 H ILE A 123 -6.371 -6.863 8.403 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.346 -6.612 10.515 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.406 -4.688 8.396 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.787 -6.256 8.372 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.254 -6.919 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.295 -3.442 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.286 -3.507 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.869 -4.570 10.088 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.923 -5.740 5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.480 -4.917 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.990 -4.244 6.910 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.991 -4.636 10.456 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.841 -3.775 11.311 1.00 0.00 C ATOM 1881 C PHE A 124 -8.453 -4.592 12.447 1.00 0.00 C ATOM 1882 O PHE A 124 -9.152 -4.065 13.289 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.918 -3.137 10.439 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.329 -2.034 9.560 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.931 -1.860 9.380 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -9.211 -1.163 8.923 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.458 -0.824 8.572 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -8.727 -0.128 8.120 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.357 0.039 7.947 1.00 0.00 C ATOM 0 H PHE A 124 -7.262 -4.666 9.473 1.00 0.00 H new ATOM 0 HA PHE A 124 -7.240 -2.988 11.767 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.381 -3.898 9.812 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.704 -2.723 11.070 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.235 -2.527 9.867 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -10.276 -1.289 9.051 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.395 -0.691 8.431 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -9.418 0.544 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.988 0.841 7.325 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.157 -5.859 12.517 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.690 -6.661 13.648 1.00 0.00 C ATOM 1901 C GLU A 125 -7.892 -6.256 14.884 1.00 0.00 C ATOM 1902 O GLU A 125 -8.371 -6.302 15.999 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.509 -8.156 13.373 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.185 -8.962 14.484 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.096 -10.455 14.160 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.453 -10.790 13.178 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.669 -11.237 14.900 1.00 0.00 O ATOM 0 H GLU A 125 -7.577 -6.367 11.849 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.756 -6.479 13.788 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.942 -8.414 12.406 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.448 -8.402 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.704 -8.758 15.440 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.228 -8.662 14.582 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.678 -5.820 14.671 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.830 -5.359 15.799 1.00 0.00 C ATOM 1916 C LYS A 126 -6.028 -3.851 15.939 1.00 0.00 C ATOM 1917 O LYS A 126 -6.032 -3.308 17.026 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.359 -5.657 15.498 1.00 0.00 C ATOM 1919 CG LYS A 126 -4.079 -7.142 15.734 1.00 0.00 C ATOM 1920 CD LYS A 126 -5.019 -7.985 14.869 1.00 0.00 C ATOM 1921 CE LYS A 126 -4.436 -9.388 14.700 1.00 0.00 C ATOM 1922 NZ LYS A 126 -5.546 -10.375 14.577 1.00 0.00 N ATOM 0 H LYS A 126 -6.238 -5.765 13.753 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.107 -5.872 16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.127 -5.392 14.466 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.716 -5.049 16.135 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.041 -7.370 15.490 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.220 -7.386 16.787 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -6.004 -8.042 15.333 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.153 -7.515 13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.802 -9.426 13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -3.806 -9.637 15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -5.150 -11.330 14.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -6.134 -10.345 15.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -6.129 -10.140 13.749 1.00 0.00 H new ATOM 1936 N LEU A 127 -6.215 -3.173 14.834 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.440 -1.703 14.888 1.00 0.00 C ATOM 1938 C LEU A 127 -7.842 -1.450 15.445 1.00 0.00 C ATOM 1939 O LEU A 127 -8.129 -0.394 15.974 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.317 -1.096 13.479 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.736 0.318 13.581 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -4.243 0.254 13.926 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -5.913 1.036 12.240 1.00 0.00 C ATOM 0 H LEU A 127 -6.221 -3.578 13.898 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.692 -1.236 15.529 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.675 -1.720 12.857 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.295 -1.065 12.998 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.261 0.861 14.367 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.842 1.265 13.996 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.112 -0.255 14.881 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.713 -0.294 13.147 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.501 2.043 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.391 0.483 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.974 1.094 11.996 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.717 -2.420 15.342 1.00 0.00 N ATOM 1956 CA GLY A 128 -10.096 -2.246 15.877 1.00 0.00 C ATOM 1957 C GLY A 128 -10.649 -0.888 15.448 1.00 0.00 C ATOM 1958 O GLY A 128 -10.495 0.100 16.139 1.00 0.00 O ATOM 0 H GLY A 128 -8.532 -3.325 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.742 -3.044 15.511 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -10.086 -2.318 16.965 1.00 0.00 H new ATOM 1962 N MET A 129 -11.292 -0.838 14.311 1.00 0.00 N ATOM 1963 CA MET A 129 -11.864 0.448 13.821 1.00 0.00 C ATOM 1964 C MET A 129 -13.309 0.222 13.375 1.00 0.00 C ATOM 1965 O MET A 129 -14.077 1.170 13.415 1.00 0.00 O ATOM 1966 CB MET A 129 -11.038 0.949 12.634 1.00 0.00 C ATOM 1967 CG MET A 129 -10.149 2.112 13.078 1.00 0.00 C ATOM 1968 SD MET A 129 -11.182 3.535 13.512 1.00 0.00 S ATOM 1969 CE MET A 129 -11.253 4.282 11.866 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.625 -0.896 13.002 1.00 0.00 O ATOM 0 H MET A 129 -11.446 -1.639 13.698 1.00 0.00 H new ATOM 0 HA MET A 129 -11.841 1.188 14.621 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.424 0.140 12.239 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.699 1.271 11.829 1.00 0.00 H new ATOM 0 HG2 MET A 129 -9.544 1.814 13.934 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.459 2.381 12.278 1.00 0.00 H new ATOM 0 HE1 MET A 129 -11.777 5.236 11.922 1.00 0.00 H new ATOM 0 HE2 MET A 129 -10.241 4.445 11.497 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.784 3.615 11.187 1.00 0.00 H new