USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 59 MET CE :methyl 164:sc= -0.197 (180deg=-0.982) USER MOD Set 1.2: A 88 MET CE :methyl -112:sc= -3.24 (180deg=-9.86!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.034) USER MOD Single : A 4 SER OG : rot -72:sc= 0.00189 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc=-0.00274 X(o=-0.0027,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 121:sc= -0.83! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc=-0.00485 X(o=-0.0049,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 70:sc= -1.22 USER MOD Single : A 44 THR OG1 : rot -74:sc= 0.764 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -1.05 (180deg=-2.51!) USER MOD Single : A 49 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.1) USER MOD Single : A 51 THR OG1 : rot 143:sc= 0.114 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -163:sc= -0.561 (180deg=-1.21) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0.836 (180deg=0.69) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.204 X(o=0.2,f=0.018) USER MOD Single : A 78 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.97) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -21:sc= 1.3 USER MOD Single : A 92 ASN : amide:sc= -0.0272 X(o=-0.027,f=-0.31) USER MOD Single : A 93 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.87) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -121:sc= -1.72 (180deg=-1.87) USER MOD Single : A 99 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -163:sc= -0.568 (180deg=-1.42) USER MOD Single : A 103 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 106 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 109 SER OG : rot 79:sc= 1.29 USER MOD Single : A 111 TYR OH : rot -131:sc= 1.11 USER MOD Single : A 112 LYS NZ :NH3+ -109:sc= 0.0711 (180deg=0) USER MOD Single : B 457 SER OG : rot 180:sc= 0 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot 128:sc= 1.28 USER MOD Single : B 465 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.482 18.097 13.941 1.00 0.00 N ATOM 2 CA PRO A 1 1.101 16.820 13.494 1.00 0.00 C ATOM 3 C PRO A 1 0.860 16.565 12.007 1.00 0.00 C ATOM 4 O PRO A 1 0.109 17.291 11.356 1.00 0.00 O ATOM 5 CB PRO A 1 0.495 15.697 14.331 1.00 0.00 C ATOM 6 CG PRO A 1 -0.347 16.402 15.342 1.00 0.00 C ATOM 7 CD PRO A 1 -0.701 17.741 14.742 1.00 0.00 C ATOM 0 H2 PRO A 1 0.217 18.670 13.140 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.142 18.644 14.494 1.00 0.00 H new ATOM 0 HA PRO A 1 2.181 16.869 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.102 15.022 13.718 1.00 0.00 H new ATOM 0 HB3 PRO A 1 1.268 15.095 14.808 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.246 15.828 15.568 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.195 16.527 16.279 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.597 17.677 14.124 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.899 18.485 15.514 1.00 0.00 H new ATOM 17 N SER A 2 1.501 15.528 11.478 1.00 0.00 N ATOM 18 CA SER A 2 1.357 15.177 10.070 1.00 0.00 C ATOM 19 C SER A 2 2.093 13.879 9.755 1.00 0.00 C ATOM 20 O SER A 2 2.662 13.245 10.643 1.00 0.00 O ATOM 21 CB SER A 2 1.887 16.306 9.184 1.00 0.00 C ATOM 22 OG SER A 2 3.244 16.590 9.477 1.00 0.00 O ATOM 0 H SER A 2 2.125 14.916 12.003 1.00 0.00 H new ATOM 0 HA SER A 2 0.297 15.031 9.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.789 16.026 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.284 17.202 9.332 1.00 0.00 H new ATOM 0 HG SER A 2 3.560 17.314 8.896 1.00 0.00 H new ATOM 28 N HIS A 3 2.077 13.489 8.484 1.00 0.00 N ATOM 29 CA HIS A 3 2.744 12.267 8.052 1.00 0.00 C ATOM 30 C HIS A 3 2.161 11.049 8.763 1.00 0.00 C ATOM 31 O HIS A 3 2.890 10.137 9.152 1.00 0.00 O ATOM 32 CB HIS A 3 4.247 12.359 8.319 1.00 0.00 C ATOM 33 CG HIS A 3 5.014 13.004 7.206 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.681 14.233 6.676 1.00 0.00 N ATOM 35 CD2 HIS A 3 6.105 12.585 6.522 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.533 14.541 5.714 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.407 13.558 5.602 1.00 0.00 N ATOM 0 H HIS A 3 1.610 14.002 7.736 1.00 0.00 H new ATOM 0 HA HIS A 3 2.580 12.152 6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.411 12.923 9.237 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.640 11.356 8.487 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.638 11.658 6.672 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.517 15.443 5.121 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.182 13.527 4.939 1.00 0.00 H new ATOM 46 N SER A 4 0.843 11.042 8.928 1.00 0.00 N ATOM 47 CA SER A 4 0.162 9.937 9.592 1.00 0.00 C ATOM 48 C SER A 4 -1.347 10.022 9.381 1.00 0.00 C ATOM 49 O SER A 4 -1.838 10.920 8.698 1.00 0.00 O ATOM 50 CB SER A 4 0.480 9.939 11.088 1.00 0.00 C ATOM 51 OG SER A 4 0.209 11.204 11.666 1.00 0.00 O ATOM 0 H SER A 4 0.225 11.789 8.611 1.00 0.00 H new ATOM 0 HA SER A 4 0.521 9.006 9.153 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.111 9.173 11.589 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.529 9.683 11.240 1.00 0.00 H new ATOM 0 HG SER A 4 0.885 11.850 11.372 1.00 0.00 H new ATOM 57 N GLY A 5 -2.075 9.080 9.971 1.00 0.00 N ATOM 58 CA GLY A 5 -3.520 9.067 9.835 1.00 0.00 C ATOM 59 C GLY A 5 -4.109 7.685 10.038 1.00 0.00 C ATOM 60 O GLY A 5 -3.404 6.681 9.937 1.00 0.00 O ATOM 0 H GLY A 5 -1.691 8.326 10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.956 9.755 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.792 9.433 8.845 1.00 0.00 H new ATOM 64 N ALA A 6 -5.406 7.633 10.325 1.00 0.00 N ATOM 65 CA ALA A 6 -6.090 6.364 10.542 1.00 0.00 C ATOM 66 C ALA A 6 -5.999 5.473 9.308 1.00 0.00 C ATOM 67 O ALA A 6 -6.186 5.934 8.182 1.00 0.00 O ATOM 68 CB ALA A 6 -7.545 6.607 10.914 1.00 0.00 C ATOM 0 H ALA A 6 -6.004 8.455 10.413 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.596 5.849 11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.044 5.651 11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.593 7.198 11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.042 7.146 10.107 1.00 0.00 H new ATOM 74 N ALA A 7 -5.709 4.195 9.528 1.00 0.00 N ATOM 75 CA ALA A 7 -5.593 3.239 8.433 1.00 0.00 C ATOM 76 C ALA A 7 -5.910 1.824 8.903 1.00 0.00 C ATOM 77 O ALA A 7 -5.363 1.353 9.900 1.00 0.00 O ATOM 78 CB ALA A 7 -4.197 3.296 7.830 1.00 0.00 C ATOM 0 H ALA A 7 -5.550 3.798 10.454 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.320 3.511 7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.124 2.577 7.014 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.006 4.299 7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.460 3.052 8.595 1.00 0.00 H new ATOM 84 N ILE A 8 -6.797 1.150 8.178 1.00 0.00 N ATOM 85 CA ILE A 8 -7.187 -0.213 8.520 1.00 0.00 C ATOM 86 C ILE A 8 -6.505 -1.223 7.607 1.00 0.00 C ATOM 87 O ILE A 8 -6.678 -1.190 6.388 1.00 0.00 O ATOM 88 CB ILE A 8 -8.713 -0.406 8.426 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.443 0.758 9.098 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.119 -1.729 9.058 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.506 2.006 8.246 1.00 0.00 C ATOM 0 H ILE A 8 -7.259 1.526 7.350 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.871 -0.381 9.549 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.996 -0.425 7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.458 0.445 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.944 0.995 10.038 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.200 -1.851 8.984 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.625 -2.548 8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.824 -1.737 10.107 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.038 2.789 8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.495 2.344 8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.031 1.786 7.317 1.00 0.00 H new ATOM 103 N PHE A 9 -5.734 -2.123 8.204 1.00 0.00 N ATOM 104 CA PHE A 9 -5.031 -3.149 7.446 1.00 0.00 C ATOM 105 C PHE A 9 -5.747 -4.487 7.575 1.00 0.00 C ATOM 106 O PHE A 9 -5.825 -5.057 8.663 1.00 0.00 O ATOM 107 CB PHE A 9 -3.587 -3.278 7.935 1.00 0.00 C ATOM 108 CG PHE A 9 -2.695 -4.026 6.984 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.725 -3.752 5.626 1.00 0.00 C ATOM 110 CD2 PHE A 9 -1.829 -5.001 7.449 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.906 -4.438 4.750 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.007 -5.691 6.577 1.00 0.00 C ATOM 113 CZ PHE A 9 -1.046 -5.409 5.226 1.00 0.00 C ATOM 0 H PHE A 9 -5.580 -2.163 9.211 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.021 -2.856 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.177 -2.281 8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.583 -3.786 8.900 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.396 -2.994 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.795 -5.225 8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.938 -4.215 3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.336 -6.449 6.952 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.405 -5.946 4.542 1.00 0.00 H new ATOM 123 N GLU A 10 -6.278 -4.981 6.460 1.00 0.00 N ATOM 124 CA GLU A 10 -7.002 -6.251 6.444 1.00 0.00 C ATOM 125 C GLU A 10 -8.383 -6.118 7.088 1.00 0.00 C ATOM 126 O GLU A 10 -9.375 -6.600 6.541 1.00 0.00 O ATOM 127 CB GLU A 10 -6.196 -7.339 7.162 1.00 0.00 C ATOM 128 CG GLU A 10 -4.716 -7.328 6.818 1.00 0.00 C ATOM 129 CD GLU A 10 -4.145 -8.723 6.654 1.00 0.00 C ATOM 130 OE1 GLU A 10 -4.236 -9.517 7.613 1.00 0.00 O ATOM 131 OE2 GLU A 10 -3.607 -9.020 5.567 1.00 0.00 O ATOM 0 H GLU A 10 -6.221 -4.520 5.552 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.139 -6.536 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.311 -7.213 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.612 -8.314 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.565 -6.767 5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.168 -6.805 7.602 1.00 0.00 H new ATOM 138 N LYS A 11 -8.449 -5.466 8.248 1.00 0.00 N ATOM 139 CA LYS A 11 -9.717 -5.282 8.948 1.00 0.00 C ATOM 140 C LYS A 11 -9.530 -4.494 10.243 1.00 0.00 C ATOM 141 O LYS A 11 -10.420 -3.752 10.661 1.00 0.00 O ATOM 142 CB LYS A 11 -10.355 -6.639 9.255 1.00 0.00 C ATOM 143 CG LYS A 11 -9.386 -7.645 9.854 1.00 0.00 C ATOM 144 CD LYS A 11 -10.019 -9.021 9.982 1.00 0.00 C ATOM 145 CE LYS A 11 -9.713 -9.890 8.774 1.00 0.00 C ATOM 146 NZ LYS A 11 -9.933 -11.335 9.059 1.00 0.00 N ATOM 0 H LYS A 11 -7.642 -5.058 8.720 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.377 -4.711 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.186 -6.493 9.945 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.772 -7.051 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.495 -7.710 9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.062 -7.300 10.836 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.652 -9.509 10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.098 -8.917 10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.343 -9.585 7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.679 -9.734 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.713 -11.894 8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.314 -11.633 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.926 -11.489 9.327 1.00 0.00 H new ATOM 160 N VAL A 12 -8.373 -4.660 10.878 1.00 0.00 N ATOM 161 CA VAL A 12 -8.081 -3.965 12.126 1.00 0.00 C ATOM 162 C VAL A 12 -7.901 -2.470 11.896 1.00 0.00 C ATOM 163 O VAL A 12 -7.202 -2.053 10.973 1.00 0.00 O ATOM 164 CB VAL A 12 -6.814 -4.527 12.800 1.00 0.00 C ATOM 165 CG1 VAL A 12 -6.579 -3.859 14.147 1.00 0.00 C ATOM 166 CG2 VAL A 12 -6.920 -6.035 12.958 1.00 0.00 C ATOM 0 H VAL A 12 -7.624 -5.269 10.549 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.935 -4.127 12.784 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.959 -4.308 12.160 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.680 -4.271 14.605 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.455 -2.786 14.004 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.434 -4.042 14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.017 -6.415 13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.786 -6.276 13.575 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.033 -6.497 11.977 1.00 0.00 H new ATOM 176 N SER A 13 -8.534 -1.668 12.744 1.00 0.00 N ATOM 177 CA SER A 13 -8.444 -0.217 12.638 1.00 0.00 C ATOM 178 C SER A 13 -7.319 0.322 13.515 1.00 0.00 C ATOM 179 O SER A 13 -7.356 0.193 14.739 1.00 0.00 O ATOM 180 CB SER A 13 -9.773 0.428 13.038 1.00 0.00 C ATOM 181 OG SER A 13 -10.846 -0.486 12.901 1.00 0.00 O ATOM 0 H SER A 13 -9.116 -1.999 13.514 1.00 0.00 H new ATOM 0 HA SER A 13 -8.224 0.035 11.600 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.716 0.775 14.070 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.957 1.305 12.417 1.00 0.00 H new ATOM 0 HG SER A 13 -11.683 -0.050 13.164 1.00 0.00 H new ATOM 187 N GLY A 14 -6.319 0.926 12.882 1.00 0.00 N ATOM 188 CA GLY A 14 -5.197 1.473 13.622 1.00 0.00 C ATOM 189 C GLY A 14 -4.727 2.803 13.066 1.00 0.00 C ATOM 190 O GLY A 14 -5.376 3.384 12.196 1.00 0.00 O ATOM 0 H GLY A 14 -6.265 1.046 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.482 1.600 14.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.371 0.762 13.601 1.00 0.00 H new ATOM 194 N ILE A 15 -3.597 3.286 13.572 1.00 0.00 N ATOM 195 CA ILE A 15 -3.039 4.556 13.122 1.00 0.00 C ATOM 196 C ILE A 15 -1.779 4.338 12.293 1.00 0.00 C ATOM 197 O ILE A 15 -0.829 3.698 12.745 1.00 0.00 O ATOM 198 CB ILE A 15 -2.704 5.477 14.312 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.856 5.494 15.318 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.401 6.885 13.822 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.177 5.923 14.717 1.00 0.00 C ATOM 0 H ILE A 15 -3.050 2.817 14.294 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.800 5.035 12.505 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.818 5.087 14.813 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.968 4.498 15.747 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.603 6.167 16.137 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.166 7.524 14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.549 6.858 13.143 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.270 7.283 13.298 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.948 5.912 15.487 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.083 6.931 14.313 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.453 5.236 13.917 1.00 0.00 H new ATOM 213 N ILE A 16 -1.777 4.873 11.077 1.00 0.00 N ATOM 214 CA ILE A 16 -0.633 4.737 10.184 1.00 0.00 C ATOM 215 C ILE A 16 0.210 6.012 10.181 1.00 0.00 C ATOM 216 O ILE A 16 -0.312 7.112 10.003 1.00 0.00 O ATOM 217 CB ILE A 16 -1.089 4.386 8.742 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.663 2.962 8.385 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.538 5.374 7.719 1.00 0.00 C ATOM 220 CD1 ILE A 16 -1.410 2.386 7.202 1.00 0.00 C ATOM 0 H ILE A 16 -2.555 5.405 10.687 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.017 3.918 10.556 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.177 4.453 8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.405 2.955 8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.817 2.318 9.250 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.879 5.094 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.892 6.378 7.955 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.552 5.357 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.056 1.374 7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.477 2.361 7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.236 3.008 6.324 1.00 0.00 H new ATOM 232 N ALA A 17 1.514 5.853 10.379 1.00 0.00 N ATOM 233 CA ALA A 17 2.428 6.988 10.398 1.00 0.00 C ATOM 234 C ALA A 17 3.693 6.685 9.603 1.00 0.00 C ATOM 235 O ALA A 17 4.408 5.726 9.895 1.00 0.00 O ATOM 236 CB ALA A 17 2.779 7.358 11.832 1.00 0.00 C ATOM 0 H ALA A 17 1.961 4.949 10.529 1.00 0.00 H new ATOM 0 HA ALA A 17 1.928 7.835 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.462 8.207 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.870 7.624 12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.256 6.508 12.321 1.00 0.00 H new ATOM 242 N ILE A 18 3.964 7.508 8.596 1.00 0.00 N ATOM 243 CA ILE A 18 5.143 7.327 7.758 1.00 0.00 C ATOM 244 C ILE A 18 6.345 8.070 8.331 1.00 0.00 C ATOM 245 O ILE A 18 6.234 9.224 8.746 1.00 0.00 O ATOM 246 CB ILE A 18 4.891 7.816 6.319 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.580 7.236 5.783 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.055 7.434 5.417 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.256 7.679 4.373 1.00 0.00 C ATOM 0 H ILE A 18 3.383 8.307 8.340 1.00 0.00 H new ATOM 0 HA ILE A 18 5.355 6.258 7.739 1.00 0.00 H new ATOM 0 HB ILE A 18 4.808 8.903 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.636 6.148 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.765 7.530 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.861 7.787 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.971 7.891 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.168 6.350 5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.314 7.230 4.058 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.168 8.765 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.052 7.361 3.700 1.00 0.00 H new ATOM 261 N ASN A 19 7.493 7.400 8.350 1.00 0.00 N ATOM 262 CA ASN A 19 8.717 7.996 8.872 1.00 0.00 C ATOM 263 C ASN A 19 9.736 8.207 7.757 1.00 0.00 C ATOM 264 O ASN A 19 10.278 7.248 7.208 1.00 0.00 O ATOM 265 CB ASN A 19 9.315 7.108 9.964 1.00 0.00 C ATOM 266 CG ASN A 19 8.808 7.471 11.346 1.00 0.00 C ATOM 267 OD1 ASN A 19 8.025 6.733 11.946 1.00 0.00 O ATOM 268 ND2 ASN A 19 9.252 8.612 11.860 1.00 0.00 N ATOM 0 H ASN A 19 7.601 6.444 8.010 1.00 0.00 H new ATOM 0 HA ASN A 19 8.466 8.967 9.300 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.074 6.066 9.754 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.401 7.194 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.945 8.907 12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.900 9.193 11.328 1.00 0.00 H new ATOM 275 N GLU A 20 9.993 9.469 7.429 1.00 0.00 N ATOM 276 CA GLU A 20 10.948 9.806 6.380 1.00 0.00 C ATOM 277 C GLU A 20 12.291 10.218 6.976 1.00 0.00 C ATOM 278 O GLU A 20 13.020 11.021 6.394 1.00 0.00 O ATOM 279 CB GLU A 20 10.400 10.933 5.502 1.00 0.00 C ATOM 280 CG GLU A 20 9.781 12.075 6.293 1.00 0.00 C ATOM 281 CD GLU A 20 10.140 13.436 5.731 1.00 0.00 C ATOM 282 OE1 GLU A 20 9.699 13.748 4.605 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.862 14.190 6.416 1.00 0.00 O ATOM 0 H GLU A 20 9.554 10.275 7.874 1.00 0.00 H new ATOM 0 HA GLU A 20 11.100 8.918 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.207 11.326 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.651 10.523 4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.697 11.963 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.112 12.015 7.330 1.00 0.00 H new ATOM 290 N ASP A 21 12.612 9.661 8.140 1.00 0.00 N ATOM 291 CA ASP A 21 13.867 9.969 8.814 1.00 0.00 C ATOM 292 C ASP A 21 14.992 9.078 8.298 1.00 0.00 C ATOM 293 O ASP A 21 16.143 9.504 8.204 1.00 0.00 O ATOM 294 CB ASP A 21 13.715 9.794 10.326 1.00 0.00 C ATOM 295 CG ASP A 21 13.318 8.382 10.708 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.742 7.676 9.854 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.582 7.982 11.861 1.00 0.00 O ATOM 0 H ASP A 21 12.020 8.994 8.635 1.00 0.00 H new ATOM 0 HA ASP A 21 14.121 11.007 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.655 10.049 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.964 10.492 10.696 1.00 0.00 H new ATOM 302 N VAL A 22 14.650 7.838 7.963 1.00 0.00 N ATOM 303 CA VAL A 22 15.628 6.885 7.454 1.00 0.00 C ATOM 304 C VAL A 22 15.574 6.811 5.930 1.00 0.00 C ATOM 305 O VAL A 22 14.516 6.993 5.327 1.00 0.00 O ATOM 306 CB VAL A 22 15.404 5.482 8.054 1.00 0.00 C ATOM 307 CG1 VAL A 22 14.081 4.896 7.583 1.00 0.00 C ATOM 308 CG2 VAL A 22 16.562 4.554 7.712 1.00 0.00 C ATOM 0 H VAL A 22 13.701 7.470 8.035 1.00 0.00 H new ATOM 0 HA VAL A 22 16.615 7.237 7.755 1.00 0.00 H new ATOM 0 HB VAL A 22 15.361 5.582 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.945 3.906 8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.263 5.546 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.085 4.816 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.381 3.571 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.647 4.462 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.488 4.964 8.115 1.00 0.00 H new ATOM 318 N SER A 23 16.724 6.554 5.313 1.00 0.00 N ATOM 319 CA SER A 23 16.815 6.469 3.856 1.00 0.00 C ATOM 320 C SER A 23 15.737 5.552 3.274 1.00 0.00 C ATOM 321 O SER A 23 14.855 6.008 2.546 1.00 0.00 O ATOM 322 CB SER A 23 18.203 5.978 3.438 1.00 0.00 C ATOM 323 OG SER A 23 19.094 7.064 3.253 1.00 0.00 O ATOM 0 H SER A 23 17.608 6.401 5.799 1.00 0.00 H new ATOM 0 HA SER A 23 16.652 7.470 3.458 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.598 5.305 4.199 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.126 5.405 2.514 1.00 0.00 H new ATOM 0 HG SER A 23 19.974 6.724 2.988 1.00 0.00 H new ATOM 329 N PRO A 24 15.791 4.244 3.583 1.00 0.00 N ATOM 330 CA PRO A 24 14.812 3.272 3.080 1.00 0.00 C ATOM 331 C PRO A 24 13.381 3.613 3.492 1.00 0.00 C ATOM 332 O PRO A 24 12.423 3.117 2.899 1.00 0.00 O ATOM 333 CB PRO A 24 15.249 1.945 3.714 1.00 0.00 C ATOM 334 CG PRO A 24 16.131 2.329 4.854 1.00 0.00 C ATOM 335 CD PRO A 24 16.802 3.606 4.440 1.00 0.00 C ATOM 0 HA PRO A 24 14.796 3.251 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.389 1.370 4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.782 1.322 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.552 2.470 5.766 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.865 1.550 5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 24 17.054 4.227 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.730 3.418 3.900 1.00 0.00 H new ATOM 343 N ALA A 25 13.241 4.459 4.508 1.00 0.00 N ATOM 344 CA ALA A 25 11.924 4.858 4.990 1.00 0.00 C ATOM 345 C ALA A 25 11.136 3.652 5.488 1.00 0.00 C ATOM 346 O ALA A 25 11.403 2.518 5.091 1.00 0.00 O ATOM 347 CB ALA A 25 11.155 5.576 3.891 1.00 0.00 C ATOM 0 H ALA A 25 14.021 4.880 5.012 1.00 0.00 H new ATOM 0 HA ALA A 25 12.061 5.542 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.174 5.868 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.705 6.465 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.034 4.910 3.037 1.00 0.00 H new ATOM 353 N GLU A 26 10.165 3.902 6.361 1.00 0.00 N ATOM 354 CA GLU A 26 9.340 2.833 6.912 1.00 0.00 C ATOM 355 C GLU A 26 8.023 3.381 7.451 1.00 0.00 C ATOM 356 O GLU A 26 7.984 4.458 8.046 1.00 0.00 O ATOM 357 CB GLU A 26 10.096 2.100 8.022 1.00 0.00 C ATOM 358 CG GLU A 26 10.814 0.848 7.545 1.00 0.00 C ATOM 359 CD GLU A 26 12.244 0.769 8.042 1.00 0.00 C ATOM 360 OE1 GLU A 26 12.439 0.524 9.252 1.00 0.00 O ATOM 361 OE2 GLU A 26 13.169 0.952 7.223 1.00 0.00 O ATOM 0 H GLU A 26 9.931 4.834 6.702 1.00 0.00 H new ATOM 0 HA GLU A 26 9.115 2.131 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.824 2.780 8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.394 1.828 8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.267 -0.031 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.811 0.825 6.455 1.00 0.00 H new ATOM 368 N LEU A 27 6.947 2.630 7.241 1.00 0.00 N ATOM 369 CA LEU A 27 5.626 3.036 7.706 1.00 0.00 C ATOM 370 C LEU A 27 5.198 2.200 8.909 1.00 0.00 C ATOM 371 O LEU A 27 5.066 0.980 8.814 1.00 0.00 O ATOM 372 CB LEU A 27 4.602 2.898 6.576 1.00 0.00 C ATOM 373 CG LEU A 27 3.146 3.126 6.984 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.331 3.618 5.798 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.547 1.848 7.555 1.00 0.00 C ATOM 0 H LEU A 27 6.964 1.736 6.751 1.00 0.00 H new ATOM 0 HA LEU A 27 5.675 4.081 8.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.857 3.607 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.690 1.900 6.147 1.00 0.00 H new ATOM 0 HG LEU A 27 3.120 3.893 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.297 3.775 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.748 4.557 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.363 2.875 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.510 2.028 7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.585 1.061 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.116 1.539 8.432 1.00 0.00 H new ATOM 387 N THR A 28 4.983 2.865 10.040 1.00 0.00 N ATOM 388 CA THR A 28 4.573 2.181 11.261 1.00 0.00 C ATOM 389 C THR A 28 3.062 2.267 11.454 1.00 0.00 C ATOM 390 O THR A 28 2.499 3.357 11.554 1.00 0.00 O ATOM 391 CB THR A 28 5.289 2.782 12.472 1.00 0.00 C ATOM 392 OG1 THR A 28 5.691 4.114 12.206 1.00 0.00 O ATOM 393 CG2 THR A 28 6.521 2.005 12.884 1.00 0.00 C ATOM 0 H THR A 28 5.086 3.875 10.136 1.00 0.00 H new ATOM 0 HA THR A 28 4.849 1.131 11.169 1.00 0.00 H new ATOM 0 HB THR A 28 4.565 2.743 13.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.145 4.482 12.993 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.981 2.484 13.748 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.238 0.985 13.143 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.232 1.986 12.058 1.00 0.00 H new ATOM 401 N TRP A 29 2.413 1.109 11.509 1.00 0.00 N ATOM 402 CA TRP A 29 0.967 1.047 11.693 1.00 0.00 C ATOM 403 C TRP A 29 0.624 0.418 13.041 1.00 0.00 C ATOM 404 O TRP A 29 0.818 -0.780 13.244 1.00 0.00 O ATOM 405 CB TRP A 29 0.323 0.248 10.556 1.00 0.00 C ATOM 406 CG TRP A 29 -1.128 -0.060 10.781 1.00 0.00 C ATOM 407 CD1 TRP A 29 -2.155 0.836 10.861 1.00 0.00 C ATOM 408 CD2 TRP A 29 -1.711 -1.356 10.958 1.00 0.00 C ATOM 409 NE1 TRP A 29 -3.341 0.177 11.076 1.00 0.00 N ATOM 410 CE2 TRP A 29 -3.094 -1.170 11.139 1.00 0.00 C ATOM 411 CE3 TRP A 29 -1.197 -2.656 10.979 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -3.969 -2.235 11.340 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -2.066 -3.712 11.178 1.00 0.00 C ATOM 414 CH2 TRP A 29 -3.438 -3.496 11.356 1.00 0.00 C ATOM 0 H TRP A 29 2.866 0.199 11.429 1.00 0.00 H new ATOM 0 HA TRP A 29 0.573 2.063 11.676 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.426 0.808 9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.868 -0.687 10.427 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.050 1.907 10.769 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.256 0.618 11.173 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.140 -2.832 10.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.028 -2.071 11.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.680 -4.721 11.197 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -4.091 -4.343 11.509 1.00 0.00 H new ATOM 425 N ARG A 30 0.115 1.233 13.958 1.00 0.00 N ATOM 426 CA ARG A 30 -0.253 0.755 15.286 1.00 0.00 C ATOM 427 C ARG A 30 -1.757 0.520 15.384 1.00 0.00 C ATOM 428 O ARG A 30 -2.549 1.253 14.792 1.00 0.00 O ATOM 429 CB ARG A 30 0.188 1.758 16.354 1.00 0.00 C ATOM 430 CG ARG A 30 1.588 2.308 16.132 1.00 0.00 C ATOM 431 CD ARG A 30 2.038 3.173 17.298 1.00 0.00 C ATOM 432 NE ARG A 30 2.757 2.401 18.308 1.00 0.00 N ATOM 433 CZ ARG A 30 3.095 2.876 19.504 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.780 4.120 19.844 1.00 0.00 N ATOM 435 NH2 ARG A 30 3.748 2.106 20.363 1.00 0.00 N ATOM 0 H ARG A 30 -0.052 2.228 13.806 1.00 0.00 H new ATOM 0 HA ARG A 30 0.257 -0.194 15.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.520 2.587 16.376 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.146 1.277 17.331 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.287 1.483 15.999 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.608 2.894 15.213 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.680 3.973 16.929 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.169 3.646 17.755 1.00 0.00 H new ATOM 0 HE ARG A 30 3.015 1.440 18.083 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.277 4.716 19.187 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.041 4.479 20.762 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.991 1.149 20.107 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.007 2.470 21.280 1.00 0.00 H new ATOM 449 N SER A 31 -2.143 -0.506 16.136 1.00 0.00 N ATOM 450 CA SER A 31 -3.552 -0.837 16.312 1.00 0.00 C ATOM 451 C SER A 31 -4.225 0.142 17.269 1.00 0.00 C ATOM 452 O SER A 31 -3.628 0.571 18.256 1.00 0.00 O ATOM 453 CB SER A 31 -3.700 -2.266 16.838 1.00 0.00 C ATOM 454 OG SER A 31 -5.001 -2.488 17.353 1.00 0.00 O ATOM 0 H SER A 31 -1.500 -1.122 16.633 1.00 0.00 H new ATOM 0 HA SER A 31 -4.041 -0.762 15.341 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.497 -2.975 16.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.961 -2.448 17.618 1.00 0.00 H new ATOM 0 HG SER A 31 -5.070 -3.409 17.681 1.00 0.00 H new ATOM 460 N THR A 32 -5.472 0.491 16.970 1.00 0.00 N ATOM 461 CA THR A 32 -6.227 1.419 17.804 1.00 0.00 C ATOM 462 C THR A 32 -6.568 0.788 19.150 1.00 0.00 C ATOM 463 O THR A 32 -6.497 1.443 20.190 1.00 0.00 O ATOM 464 CB THR A 32 -7.510 1.851 17.091 1.00 0.00 C ATOM 465 OG1 THR A 32 -7.214 2.427 15.832 1.00 0.00 O ATOM 466 CG2 THR A 32 -8.322 2.857 17.878 1.00 0.00 C ATOM 0 H THR A 32 -5.981 0.145 16.157 1.00 0.00 H new ATOM 0 HA THR A 32 -5.605 2.296 17.982 1.00 0.00 H new ATOM 0 HB THR A 32 -8.099 0.941 16.979 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.656 1.912 15.125 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.218 3.121 17.316 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.609 2.423 18.836 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.725 3.752 18.050 1.00 0.00 H new ATOM 474 N ASP A 33 -6.938 -0.488 19.123 1.00 0.00 N ATOM 475 CA ASP A 33 -7.290 -1.208 20.342 1.00 0.00 C ATOM 476 C ASP A 33 -6.113 -2.040 20.842 1.00 0.00 C ATOM 477 O ASP A 33 -5.493 -1.711 21.854 1.00 0.00 O ATOM 478 CB ASP A 33 -8.499 -2.111 20.094 1.00 0.00 C ATOM 479 CG ASP A 33 -9.812 -1.413 20.389 1.00 0.00 C ATOM 480 OD1 ASP A 33 -10.110 -1.187 21.581 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.543 -1.093 19.428 1.00 0.00 O ATOM 0 H ASP A 33 -7.002 -1.045 18.271 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.544 -0.474 21.107 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.493 -2.445 19.056 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.417 -3.002 20.716 1.00 0.00 H new ATOM 486 N GLY A 34 -5.812 -3.119 20.128 1.00 0.00 N ATOM 487 CA GLY A 34 -4.710 -3.981 20.515 1.00 0.00 C ATOM 488 C GLY A 34 -3.385 -3.246 20.560 1.00 0.00 C ATOM 489 O GLY A 34 -3.342 -2.022 20.437 1.00 0.00 O ATOM 0 H GLY A 34 -6.311 -3.412 19.288 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.916 -4.411 21.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.638 -4.811 19.812 1.00 0.00 H new ATOM 493 N ASP A 35 -2.301 -3.994 20.738 1.00 0.00 N ATOM 494 CA ASP A 35 -0.968 -3.406 20.799 1.00 0.00 C ATOM 495 C ASP A 35 -0.005 -4.144 19.874 1.00 0.00 C ATOM 496 O ASP A 35 0.885 -4.862 20.331 1.00 0.00 O ATOM 497 CB ASP A 35 -0.441 -3.436 22.236 1.00 0.00 C ATOM 498 CG ASP A 35 0.773 -2.548 22.424 1.00 0.00 C ATOM 499 OD1 ASP A 35 0.847 -1.494 21.757 1.00 0.00 O ATOM 500 OD2 ASP A 35 1.650 -2.906 23.239 1.00 0.00 O ATOM 0 H ASP A 35 -2.320 -5.008 20.843 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.038 -2.370 20.467 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.230 -3.117 22.916 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.184 -4.461 22.505 1.00 0.00 H new ATOM 505 N LYS A 36 -0.190 -3.962 18.571 1.00 0.00 N ATOM 506 CA LYS A 36 0.662 -4.609 17.580 1.00 0.00 C ATOM 507 C LYS A 36 0.981 -3.654 16.434 1.00 0.00 C ATOM 508 O LYS A 36 0.078 -3.092 15.813 1.00 0.00 O ATOM 509 CB LYS A 36 -0.018 -5.870 17.040 1.00 0.00 C ATOM 510 CG LYS A 36 0.777 -6.574 15.952 1.00 0.00 C ATOM 511 CD LYS A 36 0.325 -6.144 14.565 1.00 0.00 C ATOM 512 CE LYS A 36 -0.521 -7.216 13.897 1.00 0.00 C ATOM 513 NZ LYS A 36 -1.947 -7.142 14.319 1.00 0.00 N ATOM 0 H LYS A 36 -0.922 -3.372 18.176 1.00 0.00 H new ATOM 0 HA LYS A 36 1.597 -4.890 18.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.183 -6.564 17.864 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.999 -5.603 16.646 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.838 -6.354 16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.661 -7.653 16.055 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.248 -5.220 14.638 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.197 -5.930 13.947 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.457 -7.107 12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.120 -8.200 14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.490 -7.890 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.011 -7.272 15.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.337 -6.213 14.062 1.00 0.00 H new ATOM 527 N VAL A 37 2.269 -3.474 16.159 1.00 0.00 N ATOM 528 CA VAL A 37 2.702 -2.586 15.087 1.00 0.00 C ATOM 529 C VAL A 37 3.259 -3.376 13.907 1.00 0.00 C ATOM 530 O VAL A 37 3.813 -4.462 14.079 1.00 0.00 O ATOM 531 CB VAL A 37 3.771 -1.590 15.578 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.219 -0.726 16.702 1.00 0.00 C ATOM 533 CG2 VAL A 37 5.027 -2.324 16.026 1.00 0.00 C ATOM 0 H VAL A 37 3.029 -3.930 16.663 1.00 0.00 H new ATOM 0 HA VAL A 37 1.822 -2.030 14.763 1.00 0.00 H new ATOM 0 HB VAL A 37 4.040 -0.938 14.747 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.988 -0.029 17.036 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.355 -0.168 16.341 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.918 -1.361 17.535 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.768 -1.602 16.368 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.780 -3.004 16.841 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.434 -2.892 15.190 1.00 0.00 H new ATOM 543 N HIS A 38 3.108 -2.822 12.708 1.00 0.00 N ATOM 544 CA HIS A 38 3.597 -3.473 11.498 1.00 0.00 C ATOM 545 C HIS A 38 4.475 -2.525 10.688 1.00 0.00 C ATOM 546 O HIS A 38 3.990 -1.548 10.117 1.00 0.00 O ATOM 547 CB HIS A 38 2.423 -3.954 10.643 1.00 0.00 C ATOM 548 CG HIS A 38 2.815 -4.941 9.588 1.00 0.00 C ATOM 549 ND1 HIS A 38 2.598 -6.298 9.709 1.00 0.00 N ATOM 550 CD2 HIS A 38 3.414 -4.763 8.387 1.00 0.00 C ATOM 551 CE1 HIS A 38 3.048 -6.911 8.628 1.00 0.00 C ATOM 552 NE2 HIS A 38 3.547 -6.003 7.811 1.00 0.00 N ATOM 0 H HIS A 38 2.651 -1.924 12.549 1.00 0.00 H new ATOM 0 HA HIS A 38 4.198 -4.333 11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.673 -4.407 11.292 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.954 -3.093 10.167 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.729 -3.822 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.013 -7.975 8.445 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.964 -6.191 6.899 1.00 0.00 H new ATOM 561 N THR A 39 5.771 -2.818 10.645 1.00 0.00 N ATOM 562 CA THR A 39 6.717 -1.991 9.906 1.00 0.00 C ATOM 563 C THR A 39 6.806 -2.433 8.449 1.00 0.00 C ATOM 564 O THR A 39 7.184 -3.567 8.156 1.00 0.00 O ATOM 565 CB THR A 39 8.100 -2.056 10.556 1.00 0.00 C ATOM 566 OG1 THR A 39 7.996 -2.430 11.919 1.00 0.00 O ATOM 567 CG2 THR A 39 8.852 -0.744 10.497 1.00 0.00 C ATOM 0 H THR A 39 6.189 -3.622 11.113 1.00 0.00 H new ATOM 0 HA THR A 39 6.358 -0.962 9.933 1.00 0.00 H new ATOM 0 HB THR A 39 8.654 -2.800 9.983 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.891 -2.468 12.317 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.824 -0.860 10.976 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.992 -0.452 9.456 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.282 0.026 11.016 1.00 0.00 H new ATOM 575 N VAL A 40 6.456 -1.530 7.539 1.00 0.00 N ATOM 576 CA VAL A 40 6.496 -1.825 6.112 1.00 0.00 C ATOM 577 C VAL A 40 7.332 -0.793 5.362 1.00 0.00 C ATOM 578 O VAL A 40 6.930 0.362 5.219 1.00 0.00 O ATOM 579 CB VAL A 40 5.078 -1.868 5.507 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.382 -0.526 5.674 1.00 0.00 C ATOM 581 CG2 VAL A 40 5.130 -2.272 4.041 1.00 0.00 C ATOM 0 H VAL A 40 6.141 -0.587 7.765 1.00 0.00 H new ATOM 0 HA VAL A 40 6.956 -2.807 6.002 1.00 0.00 H new ATOM 0 HB VAL A 40 4.500 -2.619 6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.383 -0.578 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.305 -0.285 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.958 0.248 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.119 -2.296 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.728 -1.549 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.581 -3.260 3.952 1.00 0.00 H new ATOM 591 N VAL A 41 8.498 -1.217 4.884 1.00 0.00 N ATOM 592 CA VAL A 41 9.390 -0.329 4.149 1.00 0.00 C ATOM 593 C VAL A 41 8.710 0.220 2.900 1.00 0.00 C ATOM 594 O VAL A 41 8.249 -0.538 2.047 1.00 0.00 O ATOM 595 CB VAL A 41 10.688 -1.050 3.738 1.00 0.00 C ATOM 596 CG1 VAL A 41 11.678 -0.066 3.132 1.00 0.00 C ATOM 597 CG2 VAL A 41 11.301 -1.766 4.932 1.00 0.00 C ATOM 0 H VAL A 41 8.846 -2.169 4.993 1.00 0.00 H new ATOM 0 HA VAL A 41 9.638 0.495 4.818 1.00 0.00 H new ATOM 0 HB VAL A 41 10.444 -1.796 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.588 -0.594 2.848 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.237 0.397 2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.919 0.705 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.217 -2.270 4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.531 -1.041 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.595 -2.501 5.317 1.00 0.00 H new ATOM 607 N LEU A 42 8.650 1.544 2.798 1.00 0.00 N ATOM 608 CA LEU A 42 8.026 2.195 1.653 1.00 0.00 C ATOM 609 C LEU A 42 8.975 2.231 0.459 1.00 0.00 C ATOM 610 O LEU A 42 8.538 2.260 -0.691 1.00 0.00 O ATOM 611 CB LEU A 42 7.595 3.617 2.020 1.00 0.00 C ATOM 612 CG LEU A 42 6.462 3.705 3.044 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.259 5.144 3.492 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.173 3.138 2.465 1.00 0.00 C ATOM 0 H LEU A 42 9.026 2.187 3.495 1.00 0.00 H new ATOM 0 HA LEU A 42 7.146 1.615 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.460 4.153 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.284 4.132 1.111 1.00 0.00 H new ATOM 0 HG LEU A 42 6.738 3.110 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.449 5.188 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.177 5.516 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.005 5.761 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.378 3.209 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.892 3.705 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.324 2.093 2.195 1.00 0.00 H new ATOM 626 N SER A 43 10.275 2.228 0.739 1.00 0.00 N ATOM 627 CA SER A 43 11.284 2.260 -0.315 1.00 0.00 C ATOM 628 C SER A 43 11.096 1.097 -1.284 1.00 0.00 C ATOM 629 O SER A 43 11.376 1.217 -2.476 1.00 0.00 O ATOM 630 CB SER A 43 12.688 2.212 0.292 1.00 0.00 C ATOM 631 OG SER A 43 13.173 3.516 0.559 1.00 0.00 O ATOM 0 H SER A 43 10.654 2.204 1.686 1.00 0.00 H new ATOM 0 HA SER A 43 11.166 3.192 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.669 1.632 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.366 1.701 -0.392 1.00 0.00 H new ATOM 0 HG SER A 43 12.669 3.907 1.303 1.00 0.00 H new ATOM 637 N THR A 44 10.619 -0.029 -0.763 1.00 0.00 N ATOM 638 CA THR A 44 10.391 -1.213 -1.582 1.00 0.00 C ATOM 639 C THR A 44 9.324 -0.945 -2.639 1.00 0.00 C ATOM 640 O THR A 44 9.347 -1.532 -3.721 1.00 0.00 O ATOM 641 CB THR A 44 9.971 -2.394 -0.704 1.00 0.00 C ATOM 642 OG1 THR A 44 8.913 -2.023 0.161 1.00 0.00 O ATOM 643 CG2 THR A 44 11.097 -2.933 0.151 1.00 0.00 C ATOM 0 H THR A 44 10.383 -0.146 0.222 1.00 0.00 H new ATOM 0 HA THR A 44 11.324 -1.460 -2.088 1.00 0.00 H new ATOM 0 HB THR A 44 9.658 -3.174 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.263 -1.459 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.732 -3.768 0.749 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.910 -3.273 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.461 -2.146 0.811 1.00 0.00 H new ATOM 651 N ILE A 45 8.391 -0.055 -2.318 1.00 0.00 N ATOM 652 CA ILE A 45 7.316 0.291 -3.240 1.00 0.00 C ATOM 653 C ILE A 45 7.872 0.886 -4.529 1.00 0.00 C ATOM 654 O ILE A 45 8.951 1.478 -4.537 1.00 0.00 O ATOM 655 CB ILE A 45 6.331 1.294 -2.606 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.849 0.782 -1.247 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.150 1.540 -3.534 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.214 -0.590 -1.307 1.00 0.00 C ATOM 0 H ILE A 45 8.358 0.440 -1.427 1.00 0.00 H new ATOM 0 HA ILE A 45 6.783 -0.632 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 45 6.851 2.240 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.694 0.752 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.128 1.489 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.465 2.250 -3.071 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.509 1.946 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.629 0.600 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.897 -0.888 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.349 -0.562 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.939 -1.310 -1.687 1.00 0.00 H new ATOM 670 N ASP A 46 7.128 0.724 -5.618 1.00 0.00 N ATOM 671 CA ASP A 46 7.545 1.245 -6.914 1.00 0.00 C ATOM 672 C ASP A 46 6.507 2.215 -7.469 1.00 0.00 C ATOM 673 O ASP A 46 6.846 3.297 -7.948 1.00 0.00 O ATOM 674 CB ASP A 46 7.766 0.098 -7.901 1.00 0.00 C ATOM 675 CG ASP A 46 8.586 0.520 -9.105 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.266 1.569 -9.702 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.548 -0.198 -9.450 1.00 0.00 O ATOM 0 H ASP A 46 6.233 0.236 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 46 8.483 1.783 -6.777 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.270 -0.724 -7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.800 -0.280 -8.237 1.00 0.00 H new ATOM 682 N LYS A 47 5.240 1.819 -7.403 1.00 0.00 N ATOM 683 CA LYS A 47 4.151 2.650 -7.898 1.00 0.00 C ATOM 684 C LYS A 47 3.049 2.776 -6.847 1.00 0.00 C ATOM 685 O LYS A 47 2.927 1.934 -5.957 1.00 0.00 O ATOM 686 CB LYS A 47 3.598 2.060 -9.205 1.00 0.00 C ATOM 687 CG LYS A 47 2.082 2.117 -9.329 1.00 0.00 C ATOM 688 CD LYS A 47 1.620 1.696 -10.715 1.00 0.00 C ATOM 689 CE LYS A 47 0.155 1.292 -10.714 1.00 0.00 C ATOM 690 NZ LYS A 47 -0.050 -0.055 -10.113 1.00 0.00 N ATOM 0 H LYS A 47 4.943 0.926 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 47 4.533 3.650 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.039 2.595 -10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.918 1.021 -9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.630 1.466 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.737 3.130 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.772 2.517 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.228 0.862 -11.065 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.424 2.029 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.223 1.295 -11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.887 -0.502 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.787 -0.646 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.194 0.041 -9.087 1.00 0.00 H new ATOM 704 N LEU A 48 2.250 3.831 -6.960 1.00 0.00 N ATOM 705 CA LEU A 48 1.157 4.067 -6.023 1.00 0.00 C ATOM 706 C LEU A 48 -0.191 3.813 -6.689 1.00 0.00 C ATOM 707 O LEU A 48 -0.400 4.176 -7.846 1.00 0.00 O ATOM 708 CB LEU A 48 1.214 5.500 -5.489 1.00 0.00 C ATOM 709 CG LEU A 48 2.379 5.792 -4.541 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.544 6.408 -5.300 1.00 0.00 C ATOM 711 CD2 LEU A 48 1.931 6.710 -3.413 1.00 0.00 C ATOM 0 H LEU A 48 2.338 4.537 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 48 1.268 3.373 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.274 6.185 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.280 5.715 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 48 2.713 4.850 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.363 6.609 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.882 5.717 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.224 7.341 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.772 6.907 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.570 7.650 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.129 6.231 -2.851 1.00 0.00 H new ATOM 723 N GLN A 49 -1.103 3.188 -5.952 1.00 0.00 N ATOM 724 CA GLN A 49 -2.430 2.886 -6.475 1.00 0.00 C ATOM 725 C GLN A 49 -3.499 3.096 -5.407 1.00 0.00 C ATOM 726 O GLN A 49 -3.287 2.791 -4.234 1.00 0.00 O ATOM 727 CB GLN A 49 -2.483 1.446 -6.989 1.00 0.00 C ATOM 728 CG GLN A 49 -3.727 1.137 -7.806 1.00 0.00 C ATOM 729 CD GLN A 49 -3.650 -0.209 -8.499 1.00 0.00 C ATOM 730 OE1 GLN A 49 -3.865 -0.312 -9.706 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.341 -1.251 -7.735 1.00 0.00 N ATOM 0 H GLN A 49 -0.948 2.881 -4.992 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.630 3.568 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.601 1.254 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.437 0.764 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.600 1.156 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.870 1.918 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.171 -1.120 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.274 -2.182 -8.145 1.00 0.00 H new ATOM 740 N ALA A 50 -4.648 3.618 -5.824 1.00 0.00 N ATOM 741 CA ALA A 50 -5.752 3.869 -4.905 1.00 0.00 C ATOM 742 C ALA A 50 -7.082 3.919 -5.647 1.00 0.00 C ATOM 743 O ALA A 50 -7.116 3.997 -6.875 1.00 0.00 O ATOM 744 CB ALA A 50 -5.521 5.165 -4.143 1.00 0.00 C ATOM 0 H ALA A 50 -4.839 3.875 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.794 3.045 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.353 5.339 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.594 5.092 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.450 5.994 -4.848 1.00 0.00 H new ATOM 750 N THR A 51 -8.176 3.872 -4.895 1.00 0.00 N ATOM 751 CA THR A 51 -9.510 3.912 -5.483 1.00 0.00 C ATOM 752 C THR A 51 -9.813 5.295 -6.054 1.00 0.00 C ATOM 753 O THR A 51 -9.320 6.304 -5.552 1.00 0.00 O ATOM 754 CB THR A 51 -10.562 3.538 -4.437 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.748 4.595 -3.513 1.00 0.00 O ATOM 756 CG2 THR A 51 -10.206 2.296 -3.648 1.00 0.00 C ATOM 0 H THR A 51 -8.165 3.806 -3.877 1.00 0.00 H new ATOM 0 HA THR A 51 -9.543 3.188 -6.297 1.00 0.00 H new ATOM 0 HB THR A 51 -11.474 3.342 -5.001 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.694 4.649 -3.263 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.993 2.087 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.104 1.450 -4.328 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.264 2.456 -3.123 1.00 0.00 H new ATOM 764 N PRO A 52 -10.634 5.359 -7.117 1.00 0.00 N ATOM 765 CA PRO A 52 -11.001 6.626 -7.756 1.00 0.00 C ATOM 766 C PRO A 52 -11.925 7.468 -6.882 1.00 0.00 C ATOM 767 O PRO A 52 -12.618 6.944 -6.009 1.00 0.00 O ATOM 768 CB PRO A 52 -11.724 6.186 -9.030 1.00 0.00 C ATOM 769 CG PRO A 52 -12.261 4.834 -8.712 1.00 0.00 C ATOM 770 CD PRO A 52 -11.266 4.202 -7.779 1.00 0.00 C ATOM 0 HA PRO A 52 -10.131 7.256 -7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.524 6.879 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.043 6.152 -9.880 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.244 4.904 -8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.380 4.239 -9.617 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.752 3.544 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.535 3.600 -8.319 1.00 0.00 H new ATOM 778 N ALA A 53 -11.930 8.775 -7.123 1.00 0.00 N ATOM 779 CA ALA A 53 -12.769 9.690 -6.358 1.00 0.00 C ATOM 780 C ALA A 53 -14.247 9.359 -6.536 1.00 0.00 C ATOM 781 O ALA A 53 -15.044 9.514 -5.611 1.00 0.00 O ATOM 782 CB ALA A 53 -12.495 11.127 -6.772 1.00 0.00 C ATOM 0 H ALA A 53 -11.363 9.224 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.522 9.574 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.128 11.799 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.448 11.366 -6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.713 11.248 -7.833 1.00 0.00 H new ATOM 788 N SER A 54 -14.606 8.902 -7.731 1.00 0.00 N ATOM 789 CA SER A 54 -15.989 8.549 -8.031 1.00 0.00 C ATOM 790 C SER A 54 -16.432 7.341 -7.213 1.00 0.00 C ATOM 791 O SER A 54 -17.602 7.219 -6.850 1.00 0.00 O ATOM 792 CB SER A 54 -16.151 8.256 -9.524 1.00 0.00 C ATOM 793 OG SER A 54 -16.229 9.456 -10.274 1.00 0.00 O ATOM 0 H SER A 54 -13.959 8.767 -8.508 1.00 0.00 H new ATOM 0 HA SER A 54 -16.620 9.397 -7.764 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.309 7.659 -9.874 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.051 7.663 -9.686 1.00 0.00 H new ATOM 0 HG SER A 54 -16.330 9.241 -11.225 1.00 0.00 H new ATOM 799 N SER A 55 -15.489 6.449 -6.925 1.00 0.00 N ATOM 800 CA SER A 55 -15.782 5.250 -6.150 1.00 0.00 C ATOM 801 C SER A 55 -15.983 5.591 -4.677 1.00 0.00 C ATOM 802 O SER A 55 -15.121 6.205 -4.048 1.00 0.00 O ATOM 803 CB SER A 55 -14.651 4.231 -6.299 1.00 0.00 C ATOM 804 OG SER A 55 -14.813 3.152 -5.396 1.00 0.00 O ATOM 0 H SER A 55 -14.516 6.535 -7.217 1.00 0.00 H new ATOM 0 HA SER A 55 -16.705 4.816 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.630 3.853 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.693 4.718 -6.120 1.00 0.00 H new ATOM 0 HG SER A 55 -14.078 2.515 -5.513 1.00 0.00 H new ATOM 810 N GLU A 56 -17.127 5.188 -4.132 1.00 0.00 N ATOM 811 CA GLU A 56 -17.441 5.451 -2.733 1.00 0.00 C ATOM 812 C GLU A 56 -16.412 4.802 -1.813 1.00 0.00 C ATOM 813 O GLU A 56 -16.127 5.310 -0.728 1.00 0.00 O ATOM 814 CB GLU A 56 -18.841 4.932 -2.398 1.00 0.00 C ATOM 815 CG GLU A 56 -19.430 5.543 -1.136 1.00 0.00 C ATOM 816 CD GLU A 56 -20.448 4.638 -0.471 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.977 3.736 -1.154 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.716 4.831 0.733 1.00 0.00 O ATOM 0 H GLU A 56 -17.851 4.678 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.413 6.529 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.506 5.138 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.800 3.849 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.626 5.759 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.901 6.494 -1.383 1.00 0.00 H new ATOM 825 N LYS A 57 -15.858 3.677 -2.252 1.00 0.00 N ATOM 826 CA LYS A 57 -14.861 2.959 -1.467 1.00 0.00 C ATOM 827 C LYS A 57 -13.499 3.637 -1.566 1.00 0.00 C ATOM 828 O LYS A 57 -12.914 3.723 -2.646 1.00 0.00 O ATOM 829 CB LYS A 57 -14.757 1.508 -1.941 1.00 0.00 C ATOM 830 CG LYS A 57 -15.889 0.623 -1.447 1.00 0.00 C ATOM 831 CD LYS A 57 -15.804 0.397 0.054 1.00 0.00 C ATOM 832 CE LYS A 57 -15.116 -0.918 0.381 1.00 0.00 C ATOM 833 NZ LYS A 57 -16.095 -2.022 0.585 1.00 0.00 N ATOM 0 H LYS A 57 -16.083 3.243 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.178 2.972 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.743 1.491 -3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.808 1.092 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.846 1.083 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.854 -0.336 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.258 1.219 0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.807 0.400 0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.435 -1.182 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.512 -0.798 1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.586 -2.901 0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.730 -1.782 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.654 -2.154 -0.282 1.00 0.00 H new ATOM 847 N MET A 58 -12.999 4.117 -0.432 1.00 0.00 N ATOM 848 CA MET A 58 -11.704 4.788 -0.391 1.00 0.00 C ATOM 849 C MET A 58 -10.650 3.894 0.254 1.00 0.00 C ATOM 850 O MET A 58 -10.752 3.546 1.430 1.00 0.00 O ATOM 851 CB MET A 58 -11.813 6.105 0.380 1.00 0.00 C ATOM 852 CG MET A 58 -13.033 6.931 0.004 1.00 0.00 C ATOM 853 SD MET A 58 -13.356 8.264 1.174 1.00 0.00 S ATOM 854 CE MET A 58 -13.655 7.333 2.674 1.00 0.00 C ATOM 0 H MET A 58 -13.470 4.054 0.470 1.00 0.00 H new ATOM 0 HA MET A 58 -11.399 4.999 -1.416 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.846 5.890 1.448 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.915 6.696 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.889 7.353 -0.991 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.906 6.280 -0.049 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.156 7.969 3.403 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.286 6.473 2.449 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.705 6.989 3.084 1.00 0.00 H new ATOM 864 N MET A 59 -9.638 3.526 -0.525 1.00 0.00 N ATOM 865 CA MET A 59 -8.564 2.672 -0.029 1.00 0.00 C ATOM 866 C MET A 59 -7.262 2.945 -0.773 1.00 0.00 C ATOM 867 O MET A 59 -7.271 3.290 -1.955 1.00 0.00 O ATOM 868 CB MET A 59 -8.949 1.198 -0.175 1.00 0.00 C ATOM 869 CG MET A 59 -10.090 0.773 0.734 1.00 0.00 C ATOM 870 SD MET A 59 -10.100 -1.001 1.053 1.00 0.00 S ATOM 871 CE MET A 59 -10.913 -1.606 -0.423 1.00 0.00 C ATOM 0 H MET A 59 -9.539 3.805 -1.501 1.00 0.00 H new ATOM 0 HA MET A 59 -8.412 2.899 1.026 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.230 1.006 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.076 0.581 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.014 1.308 1.681 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.038 1.062 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.746 -2.679 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 59 -11.983 -1.410 -0.355 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.505 -1.098 -1.297 1.00 0.00 H new ATOM 881 N LEU A 60 -6.142 2.788 -0.074 1.00 0.00 N ATOM 882 CA LEU A 60 -4.830 3.017 -0.668 1.00 0.00 C ATOM 883 C LEU A 60 -4.053 1.709 -0.788 1.00 0.00 C ATOM 884 O LEU A 60 -3.982 0.929 0.161 1.00 0.00 O ATOM 885 CB LEU A 60 -4.035 4.020 0.170 1.00 0.00 C ATOM 886 CG LEU A 60 -2.948 4.782 -0.590 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.563 5.886 -1.435 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.924 5.355 0.378 1.00 0.00 C ATOM 0 H LEU A 60 -6.117 2.503 0.905 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.977 3.426 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.729 4.741 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.571 3.489 1.001 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.439 4.085 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.775 6.418 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.258 5.450 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.098 6.583 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.158 5.894 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.419 6.038 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.461 4.544 0.940 1.00 0.00 H new ATOM 900 N ARG A 61 -3.473 1.477 -1.961 1.00 0.00 N ATOM 901 CA ARG A 61 -2.703 0.262 -2.204 1.00 0.00 C ATOM 902 C ARG A 61 -1.396 0.580 -2.922 1.00 0.00 C ATOM 903 O ARG A 61 -1.395 1.193 -3.990 1.00 0.00 O ATOM 904 CB ARG A 61 -3.524 -0.730 -3.030 1.00 0.00 C ATOM 905 CG ARG A 61 -2.800 -2.036 -3.309 1.00 0.00 C ATOM 906 CD ARG A 61 -3.615 -2.943 -4.217 1.00 0.00 C ATOM 907 NE ARG A 61 -3.466 -4.352 -3.861 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.315 -5.306 -4.237 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.373 -5.007 -4.981 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.105 -6.562 -3.870 1.00 0.00 N ATOM 0 H ARG A 61 -3.521 2.113 -2.757 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.466 -0.187 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.454 -0.945 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.794 -0.264 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.836 -1.827 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.597 -2.549 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.667 -2.664 -4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.303 -2.796 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.664 -4.621 -3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.539 -4.042 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.020 -5.742 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.293 -6.798 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.755 -7.293 -4.158 1.00 0.00 H new ATOM 924 N LEU A 62 -0.283 0.159 -2.329 1.00 0.00 N ATOM 925 CA LEU A 62 1.031 0.398 -2.914 1.00 0.00 C ATOM 926 C LEU A 62 1.570 -0.865 -3.576 1.00 0.00 C ATOM 927 O LEU A 62 1.374 -1.973 -3.075 1.00 0.00 O ATOM 928 CB LEU A 62 2.012 0.883 -1.843 1.00 0.00 C ATOM 929 CG LEU A 62 1.486 1.996 -0.932 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.826 3.095 -1.751 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.512 1.430 0.090 1.00 0.00 C ATOM 0 H LEU A 62 -0.265 -0.349 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 62 0.925 1.170 -3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.298 0.033 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.917 1.237 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 62 2.331 2.431 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.459 3.875 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.554 3.520 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.009 2.678 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.148 2.234 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.329 0.967 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.019 0.682 0.700 1.00 0.00 H new ATOM 943 N ILE A 63 2.249 -0.691 -4.705 1.00 0.00 N ATOM 944 CA ILE A 63 2.816 -1.818 -5.435 1.00 0.00 C ATOM 945 C ILE A 63 4.316 -1.932 -5.191 1.00 0.00 C ATOM 946 O ILE A 63 5.051 -0.952 -5.308 1.00 0.00 O ATOM 947 CB ILE A 63 2.563 -1.693 -6.950 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.103 -1.321 -7.219 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.923 -2.992 -7.655 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.112 -2.306 -6.638 1.00 0.00 C ATOM 0 H ILE A 63 2.420 0.219 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 63 2.320 -2.715 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 63 3.197 -0.899 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.906 -0.332 -6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.946 -1.252 -8.295 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.739 -2.889 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.976 -3.217 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.312 -3.803 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.902 -1.979 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.282 -3.292 -7.071 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.241 -2.357 -5.557 1.00 0.00 H new ATOM 962 N GLY A 64 4.765 -3.136 -4.849 1.00 0.00 N ATOM 963 CA GLY A 64 6.176 -3.356 -4.593 1.00 0.00 C ATOM 964 C GLY A 64 6.982 -3.503 -5.869 1.00 0.00 C ATOM 965 O GLY A 64 6.421 -3.706 -6.945 1.00 0.00 O ATOM 0 H GLY A 64 4.177 -3.963 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.571 -2.523 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.296 -4.253 -3.986 1.00 0.00 H new ATOM 969 N LYS A 65 8.302 -3.400 -5.748 1.00 0.00 N ATOM 970 CA LYS A 65 9.187 -3.523 -6.900 1.00 0.00 C ATOM 971 C LYS A 65 9.360 -4.984 -7.300 1.00 0.00 C ATOM 972 O LYS A 65 9.683 -5.832 -6.467 1.00 0.00 O ATOM 973 CB LYS A 65 10.550 -2.902 -6.591 1.00 0.00 C ATOM 974 CG LYS A 65 10.527 -1.383 -6.527 1.00 0.00 C ATOM 975 CD LYS A 65 11.822 -0.830 -5.956 1.00 0.00 C ATOM 976 CE LYS A 65 12.140 0.543 -6.526 1.00 0.00 C ATOM 977 NZ LYS A 65 11.633 1.638 -5.654 1.00 0.00 N ATOM 0 H LYS A 65 8.782 -3.232 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 65 8.733 -2.988 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.910 -3.292 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.263 -3.214 -7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.367 -0.978 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.688 -1.056 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.744 -0.766 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.640 -1.515 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.219 0.645 -6.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.698 0.635 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.622 2.530 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.668 1.412 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.254 1.738 -4.826 1.00 0.00 H new ATOM 991 N VAL A 66 9.143 -5.273 -8.579 1.00 0.00 N ATOM 992 CA VAL A 66 9.276 -6.632 -9.088 1.00 0.00 C ATOM 993 C VAL A 66 10.741 -6.993 -9.312 1.00 0.00 C ATOM 994 O VAL A 66 11.560 -6.134 -9.639 1.00 0.00 O ATOM 995 CB VAL A 66 8.500 -6.814 -10.409 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.045 -5.887 -11.485 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.555 -8.265 -10.866 1.00 0.00 C ATOM 0 H VAL A 66 8.874 -4.584 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 66 8.854 -7.298 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 66 7.457 -6.551 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.484 -6.032 -12.408 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.945 -4.852 -11.158 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.097 -6.112 -11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.002 -8.374 -11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.593 -8.558 -11.023 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.109 -8.904 -10.104 1.00 0.00 H new ATOM 1007 N ASP A 67 11.064 -8.270 -9.134 1.00 0.00 N ATOM 1008 CA ASP A 67 12.431 -8.745 -9.317 1.00 0.00 C ATOM 1009 C ASP A 67 12.456 -10.021 -10.152 1.00 0.00 C ATOM 1010 O ASP A 67 12.261 -11.120 -9.632 1.00 0.00 O ATOM 1011 CB ASP A 67 13.091 -8.997 -7.960 1.00 0.00 C ATOM 1012 CG ASP A 67 13.284 -7.721 -7.165 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.760 -6.724 -7.749 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.960 -7.718 -5.959 1.00 0.00 O ATOM 0 H ASP A 67 10.398 -8.994 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 67 12.989 -7.974 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.479 -9.691 -7.385 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.058 -9.476 -8.113 1.00 0.00 H new ATOM 1019 N GLU A 68 12.697 -9.868 -11.450 1.00 0.00 N ATOM 1020 CA GLU A 68 12.747 -11.008 -12.358 1.00 0.00 C ATOM 1021 C GLU A 68 14.001 -11.842 -12.117 1.00 0.00 C ATOM 1022 O GLU A 68 13.937 -12.922 -11.529 1.00 0.00 O ATOM 1023 CB GLU A 68 12.708 -10.531 -13.811 1.00 0.00 C ATOM 1024 CG GLU A 68 11.302 -10.291 -14.335 1.00 0.00 C ATOM 1025 CD GLU A 68 11.244 -10.250 -15.850 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.165 -11.331 -16.471 1.00 0.00 O ATOM 1027 OE2 GLU A 68 11.277 -9.137 -16.415 1.00 0.00 O ATOM 0 H GLU A 68 12.861 -8.966 -11.897 1.00 0.00 H new ATOM 0 HA GLU A 68 11.875 -11.633 -12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.281 -9.608 -13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.200 -11.272 -14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.643 -11.079 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.925 -9.350 -13.935 1.00 0.00 H new ATOM 1034 N SER A 69 15.141 -11.333 -12.574 1.00 0.00 N ATOM 1035 CA SER A 69 16.410 -12.032 -12.408 1.00 0.00 C ATOM 1036 C SER A 69 16.936 -11.874 -10.984 1.00 0.00 C ATOM 1037 O SER A 69 17.928 -11.182 -10.750 1.00 0.00 O ATOM 1038 CB SER A 69 17.441 -11.505 -13.409 1.00 0.00 C ATOM 1039 OG SER A 69 18.382 -12.509 -13.748 1.00 0.00 O ATOM 0 H SER A 69 15.212 -10.440 -13.062 1.00 0.00 H new ATOM 0 HA SER A 69 16.241 -13.092 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.934 -11.158 -14.310 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.959 -10.645 -12.984 1.00 0.00 H new ATOM 0 HG SER A 69 19.029 -12.148 -14.390 1.00 0.00 H new ATOM 1045 N LYS A 70 16.265 -12.520 -10.037 1.00 0.00 N ATOM 1046 CA LYS A 70 16.664 -12.451 -8.636 1.00 0.00 C ATOM 1047 C LYS A 70 16.258 -13.720 -7.892 1.00 0.00 C ATOM 1048 O LYS A 70 17.102 -14.425 -7.341 1.00 0.00 O ATOM 1049 CB LYS A 70 16.036 -11.229 -7.963 1.00 0.00 C ATOM 1050 CG LYS A 70 16.616 -9.907 -8.439 1.00 0.00 C ATOM 1051 CD LYS A 70 18.058 -9.737 -7.986 1.00 0.00 C ATOM 1052 CE LYS A 70 18.154 -8.847 -6.758 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.401 -8.032 -6.758 1.00 0.00 N ATOM 0 H LYS A 70 15.443 -13.097 -10.214 1.00 0.00 H new ATOM 0 HA LYS A 70 17.749 -12.359 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.962 -11.233 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.172 -11.309 -6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.567 -9.857 -9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.013 -9.084 -8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.488 -10.713 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.647 -9.306 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.288 -8.186 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.123 -9.464 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.428 -7.439 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 20.228 -8.663 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.419 -7.425 -7.602 1.00 0.00 H new ATOM 1067 N LYS A 71 14.959 -14.003 -7.881 1.00 0.00 N ATOM 1068 CA LYS A 71 14.441 -15.187 -7.206 1.00 0.00 C ATOM 1069 C LYS A 71 14.770 -15.151 -5.717 1.00 0.00 C ATOM 1070 O LYS A 71 15.909 -15.390 -5.317 1.00 0.00 O ATOM 1071 CB LYS A 71 15.019 -16.454 -7.837 1.00 0.00 C ATOM 1072 CG LYS A 71 14.733 -16.577 -9.325 1.00 0.00 C ATOM 1073 CD LYS A 71 13.377 -17.213 -9.581 1.00 0.00 C ATOM 1074 CE LYS A 71 13.107 -17.370 -11.069 1.00 0.00 C ATOM 1075 NZ LYS A 71 13.489 -18.721 -11.564 1.00 0.00 N ATOM 0 H LYS A 71 14.247 -13.429 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 71 13.357 -15.195 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.098 -16.469 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.611 -17.325 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.766 -15.590 -9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.512 -17.175 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.335 -18.189 -9.098 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.596 -16.600 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.049 -17.197 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.662 -16.611 -11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.289 -18.787 -12.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.504 -18.877 -11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.941 -19.445 -11.056 1.00 0.00 H new ATOM 1089 N ARG A 72 13.765 -14.851 -4.900 1.00 0.00 N ATOM 1090 CA ARG A 72 13.948 -14.785 -3.455 1.00 0.00 C ATOM 1091 C ARG A 72 13.793 -16.164 -2.823 1.00 0.00 C ATOM 1092 O ARG A 72 13.251 -17.082 -3.438 1.00 0.00 O ATOM 1093 CB ARG A 72 12.942 -13.812 -2.837 1.00 0.00 C ATOM 1094 CG ARG A 72 13.167 -13.566 -1.354 1.00 0.00 C ATOM 1095 CD ARG A 72 12.223 -12.502 -0.817 1.00 0.00 C ATOM 1096 NE ARG A 72 12.771 -11.156 -0.970 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.275 -10.080 -0.363 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.222 -10.187 0.437 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.835 -8.893 -0.557 1.00 0.00 N ATOM 0 H ARG A 72 12.816 -14.650 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 72 14.958 -14.427 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 72 12.996 -12.861 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.935 -14.202 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.021 -14.495 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.199 -13.256 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.269 -12.567 -1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.022 -12.694 0.237 1.00 0.00 H new ATOM 0 HE ARG A 72 13.581 -11.034 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.788 -11.097 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.847 -9.359 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.645 -8.805 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.456 -8.068 -0.092 1.00 0.00 H new ATOM 1113 N LYS A 73 14.273 -16.302 -1.592 1.00 0.00 N ATOM 1114 CA LYS A 73 14.188 -17.570 -0.876 1.00 0.00 C ATOM 1115 C LYS A 73 13.562 -17.376 0.502 1.00 0.00 C ATOM 1116 O LYS A 73 14.212 -16.890 1.427 1.00 0.00 O ATOM 1117 CB LYS A 73 15.578 -18.193 -0.734 1.00 0.00 C ATOM 1118 CG LYS A 73 16.102 -18.810 -2.020 1.00 0.00 C ATOM 1119 CD LYS A 73 17.615 -18.694 -2.117 1.00 0.00 C ATOM 1120 CE LYS A 73 18.230 -19.937 -2.738 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.411 -19.610 -3.583 1.00 0.00 N ATOM 0 H LYS A 73 14.725 -15.552 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 73 13.553 -18.242 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.277 -17.428 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.546 -18.959 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.813 -19.860 -2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.642 -18.316 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.876 -17.820 -2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.033 -18.538 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.528 -20.627 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.481 -20.449 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.801 -20.485 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.122 -18.972 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.136 -19.145 -3.001 1.00 0.00 H new ATOM 1135 N ASP A 74 12.296 -17.758 0.629 1.00 0.00 N ATOM 1136 CA ASP A 74 11.581 -17.626 1.894 1.00 0.00 C ATOM 1137 C ASP A 74 12.270 -18.426 2.995 1.00 0.00 C ATOM 1138 O ASP A 74 12.316 -18.001 4.149 1.00 0.00 O ATOM 1139 CB ASP A 74 10.133 -18.095 1.737 1.00 0.00 C ATOM 1140 CG ASP A 74 9.210 -17.477 2.769 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.915 -16.269 2.654 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.783 -18.201 3.692 1.00 0.00 O ATOM 0 H ASP A 74 11.744 -18.161 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 74 11.586 -16.573 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.778 -17.841 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.094 -19.181 1.823 1.00 0.00 H new ATOM 1147 N ASN A 75 12.805 -19.587 2.630 1.00 0.00 N ATOM 1148 CA ASN A 75 13.491 -20.446 3.587 1.00 0.00 C ATOM 1149 C ASN A 75 14.142 -21.633 2.884 1.00 0.00 C ATOM 1150 O ASN A 75 14.172 -22.743 3.416 1.00 0.00 O ATOM 1151 CB ASN A 75 12.512 -20.944 4.652 1.00 0.00 C ATOM 1152 CG ASN A 75 11.290 -21.607 4.048 1.00 0.00 C ATOM 1153 OD1 ASN A 75 10.259 -20.966 3.841 1.00 0.00 O ATOM 1154 ND2 ASN A 75 11.399 -22.899 3.761 1.00 0.00 N ATOM 0 H ASN A 75 12.776 -19.954 1.679 1.00 0.00 H new ATOM 0 HA ASN A 75 14.273 -19.858 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.020 -21.652 5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.197 -20.105 5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.609 -23.399 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.272 -23.391 3.949 1.00 0.00 H new ATOM 1161 N GLU A 76 14.663 -21.391 1.686 1.00 0.00 N ATOM 1162 CA GLU A 76 15.315 -22.440 0.909 1.00 0.00 C ATOM 1163 C GLU A 76 14.342 -23.574 0.604 1.00 0.00 C ATOM 1164 O GLU A 76 13.232 -23.613 1.134 1.00 0.00 O ATOM 1165 CB GLU A 76 16.528 -22.984 1.665 1.00 0.00 C ATOM 1166 CG GLU A 76 17.774 -22.125 1.514 1.00 0.00 C ATOM 1167 CD GLU A 76 18.926 -22.614 2.369 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.611 -23.571 1.952 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.143 -22.041 3.457 1.00 0.00 O ATOM 0 H GLU A 76 14.647 -20.478 1.232 1.00 0.00 H new ATOM 0 HA GLU A 76 15.648 -22.006 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.279 -23.066 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.746 -23.991 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.081 -22.117 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.537 -21.096 1.785 1.00 0.00 H new ATOM 1176 N GLY A 77 14.767 -24.496 -0.255 1.00 0.00 N ATOM 1177 CA GLY A 77 13.921 -25.618 -0.616 1.00 0.00 C ATOM 1178 C GLY A 77 13.169 -25.384 -1.911 1.00 0.00 C ATOM 1179 O GLY A 77 12.845 -26.331 -2.629 1.00 0.00 O ATOM 0 H GLY A 77 15.681 -24.486 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.533 -26.515 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.207 -25.804 0.187 1.00 0.00 H new ATOM 1183 N ASN A 78 12.890 -24.120 -2.211 1.00 0.00 N ATOM 1184 CA ASN A 78 12.171 -23.764 -3.429 1.00 0.00 C ATOM 1185 C ASN A 78 12.048 -22.249 -3.565 1.00 0.00 C ATOM 1186 O ASN A 78 11.252 -21.616 -2.870 1.00 0.00 O ATOM 1187 CB ASN A 78 10.780 -24.402 -3.431 1.00 0.00 C ATOM 1188 CG ASN A 78 10.026 -24.149 -2.140 1.00 0.00 C ATOM 1189 OD1 ASN A 78 10.150 -24.904 -1.176 1.00 0.00 O ATOM 1190 ND2 ASN A 78 9.237 -23.081 -2.116 1.00 0.00 N ATOM 0 H ASN A 78 13.151 -23.325 -1.628 1.00 0.00 H new ATOM 0 HA ASN A 78 12.738 -24.143 -4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.204 -24.008 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.876 -25.476 -3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.704 -22.860 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.164 -22.482 -2.938 1.00 0.00 H new ATOM 1197 N GLU A 79 12.840 -21.675 -4.464 1.00 0.00 N ATOM 1198 CA GLU A 79 12.819 -20.234 -4.691 1.00 0.00 C ATOM 1199 C GLU A 79 11.437 -19.775 -5.145 1.00 0.00 C ATOM 1200 O GLU A 79 10.661 -20.557 -5.693 1.00 0.00 O ATOM 1201 CB GLU A 79 13.867 -19.847 -5.736 1.00 0.00 C ATOM 1202 CG GLU A 79 15.294 -19.895 -5.214 1.00 0.00 C ATOM 1203 CD GLU A 79 16.265 -20.474 -6.224 1.00 0.00 C ATOM 1204 OE1 GLU A 79 16.072 -20.240 -7.436 1.00 0.00 O ATOM 1205 OE2 GLU A 79 17.218 -21.163 -5.803 1.00 0.00 O ATOM 0 H GLU A 79 13.504 -22.185 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 79 13.055 -19.739 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.779 -20.517 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.654 -18.840 -6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.613 -18.888 -4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.324 -20.493 -4.303 1.00 0.00 H new ATOM 1212 N VAL A 80 11.137 -18.501 -4.912 1.00 0.00 N ATOM 1213 CA VAL A 80 9.849 -17.938 -5.297 1.00 0.00 C ATOM 1214 C VAL A 80 9.940 -17.224 -6.641 1.00 0.00 C ATOM 1215 O VAL A 80 10.900 -16.502 -6.908 1.00 0.00 O ATOM 1216 CB VAL A 80 9.329 -16.949 -4.237 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.947 -17.682 -2.961 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.369 -15.875 -3.954 1.00 0.00 C ATOM 0 H VAL A 80 11.768 -17.840 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 80 9.152 -18.772 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 80 8.435 -16.463 -4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.582 -16.965 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.164 -18.408 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.820 -18.198 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.984 -15.185 -3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.282 -16.341 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.586 -15.328 -4.872 1.00 0.00 H new ATOM 1228 N VAL A 81 8.933 -17.430 -7.484 1.00 0.00 N ATOM 1229 CA VAL A 81 8.898 -16.806 -8.800 1.00 0.00 C ATOM 1230 C VAL A 81 8.567 -15.318 -8.693 1.00 0.00 C ATOM 1231 O VAL A 81 7.700 -14.927 -7.913 1.00 0.00 O ATOM 1232 CB VAL A 81 7.865 -17.492 -9.717 1.00 0.00 C ATOM 1233 CG1 VAL A 81 6.466 -17.376 -9.130 1.00 0.00 C ATOM 1234 CG2 VAL A 81 7.914 -16.902 -11.118 1.00 0.00 C ATOM 0 H VAL A 81 8.130 -18.025 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 81 9.890 -16.922 -9.236 1.00 0.00 H new ATOM 0 HB VAL A 81 8.118 -18.550 -9.786 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.752 -17.866 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.441 -17.855 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.201 -16.324 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.178 -17.400 -11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.691 -15.836 -11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.909 -17.046 -11.539 1.00 0.00 H new ATOM 1244 N PRO A 82 9.259 -14.467 -9.478 1.00 0.00 N ATOM 1245 CA PRO A 82 9.050 -13.015 -9.478 1.00 0.00 C ATOM 1246 C PRO A 82 7.590 -12.624 -9.372 1.00 0.00 C ATOM 1247 O PRO A 82 6.892 -12.449 -10.370 1.00 0.00 O ATOM 1248 CB PRO A 82 9.637 -12.605 -10.816 1.00 0.00 C ATOM 1249 CG PRO A 82 10.799 -13.513 -10.940 1.00 0.00 C ATOM 1250 CD PRO A 82 10.315 -14.846 -10.432 1.00 0.00 C ATOM 0 HA PRO A 82 9.510 -12.526 -8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.926 -12.740 -11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.937 -11.557 -10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.134 -13.584 -11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.645 -13.152 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.928 -15.470 -11.238 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.114 -15.409 -9.949 1.00 0.00 H new ATOM 1258 N LYS A 83 7.153 -12.493 -8.138 1.00 0.00 N ATOM 1259 CA LYS A 83 5.775 -12.122 -7.836 1.00 0.00 C ATOM 1260 C LYS A 83 5.708 -10.713 -7.249 1.00 0.00 C ATOM 1261 O LYS A 83 5.904 -10.524 -6.049 1.00 0.00 O ATOM 1262 CB LYS A 83 5.159 -13.123 -6.858 1.00 0.00 C ATOM 1263 CG LYS A 83 4.684 -14.407 -7.520 1.00 0.00 C ATOM 1264 CD LYS A 83 3.441 -14.172 -8.362 1.00 0.00 C ATOM 1265 CE LYS A 83 2.191 -14.091 -7.500 1.00 0.00 C ATOM 1266 NZ LYS A 83 1.225 -13.083 -8.016 1.00 0.00 N ATOM 0 H LYS A 83 7.736 -12.639 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 83 5.208 -12.137 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.894 -13.369 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.317 -12.652 -6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.479 -14.810 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.471 -15.155 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.554 -13.248 -8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.333 -14.979 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.711 -15.069 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.471 -13.836 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.387 -13.059 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.674 -12.145 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.938 -13.340 -8.982 1.00 0.00 H new ATOM 1280 N PRO A 84 5.428 -9.700 -8.091 1.00 0.00 N ATOM 1281 CA PRO A 84 5.336 -8.306 -7.644 1.00 0.00 C ATOM 1282 C PRO A 84 4.444 -8.146 -6.418 1.00 0.00 C ATOM 1283 O PRO A 84 3.286 -8.566 -6.421 1.00 0.00 O ATOM 1284 CB PRO A 84 4.725 -7.589 -8.849 1.00 0.00 C ATOM 1285 CG PRO A 84 5.136 -8.409 -10.022 1.00 0.00 C ATOM 1286 CD PRO A 84 5.180 -9.834 -9.539 1.00 0.00 C ATOM 0 HA PRO A 84 6.305 -7.910 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.640 -7.530 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.094 -6.567 -8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.428 -8.297 -10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.110 -8.094 -10.396 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.244 -10.355 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.971 -10.400 -10.031 1.00 0.00 H new ATOM 1294 N GLN A 85 4.990 -7.536 -5.371 1.00 0.00 N ATOM 1295 CA GLN A 85 4.244 -7.321 -4.136 1.00 0.00 C ATOM 1296 C GLN A 85 3.135 -6.294 -4.341 1.00 0.00 C ATOM 1297 O GLN A 85 3.305 -5.319 -5.072 1.00 0.00 O ATOM 1298 CB GLN A 85 5.185 -6.857 -3.022 1.00 0.00 C ATOM 1299 CG GLN A 85 6.002 -7.982 -2.408 1.00 0.00 C ATOM 1300 CD GLN A 85 7.425 -7.565 -2.096 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.721 -7.097 -0.997 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.317 -7.733 -3.066 1.00 0.00 N ATOM 0 H GLN A 85 5.946 -7.182 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 85 3.788 -8.268 -3.847 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.863 -6.103 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.599 -6.376 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.517 -8.320 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.018 -8.830 -3.092 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.028 -8.125 -3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.291 -7.470 -2.914 1.00 0.00 H new ATOM 1311 N ARG A 86 1.999 -6.521 -3.689 1.00 0.00 N ATOM 1312 CA ARG A 86 0.861 -5.616 -3.798 1.00 0.00 C ATOM 1313 C ARG A 86 0.061 -5.594 -2.499 1.00 0.00 C ATOM 1314 O ARG A 86 -0.821 -6.426 -2.287 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.043 -6.036 -4.959 1.00 0.00 C ATOM 1316 CG ARG A 86 0.718 -6.374 -6.230 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.210 -6.912 -7.308 1.00 0.00 C ATOM 1318 NE ARG A 86 0.499 -7.180 -8.557 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.835 -6.239 -9.436 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.529 -4.968 -9.206 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.478 -6.569 -10.547 1.00 0.00 N ATOM 0 H ARG A 86 1.842 -7.324 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 86 1.242 -4.613 -3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.631 -6.902 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.747 -5.231 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.228 -5.483 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.488 -7.113 -6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.682 -7.829 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.008 -6.193 -7.491 1.00 0.00 H new ATOM 0 HE ARG A 86 0.751 -8.146 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.034 -4.709 -8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.789 -4.250 -9.883 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.715 -7.544 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.735 -5.848 -11.221 1.00 0.00 H new ATOM 1335 N HIS A 87 0.375 -4.637 -1.632 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.314 -4.508 -0.353 1.00 0.00 C ATOM 1337 C HIS A 87 -1.346 -3.385 -0.400 1.00 0.00 C ATOM 1338 O HIS A 87 -1.040 -2.264 -0.806 1.00 0.00 O ATOM 1339 CB HIS A 87 0.692 -4.243 0.768 1.00 0.00 C ATOM 1340 CG HIS A 87 1.883 -5.150 0.729 1.00 0.00 C ATOM 1341 ND1 HIS A 87 1.785 -6.515 0.561 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.206 -4.881 0.838 1.00 0.00 C ATOM 1343 CE1 HIS A 87 2.995 -7.046 0.568 1.00 0.00 C ATOM 1344 NE2 HIS A 87 3.874 -6.076 0.734 1.00 0.00 N ATOM 0 H HIS A 87 1.102 -3.940 -1.792 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.833 -5.446 -0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.031 -3.209 0.704 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.191 -4.356 1.729 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.652 -3.908 0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.225 -8.095 0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.886 -6.195 0.778 1.00 0.00 H new ATOM 1353 N MET A 88 -2.569 -3.695 0.017 1.00 0.00 N ATOM 1354 CA MET A 88 -3.647 -2.712 0.023 1.00 0.00 C ATOM 1355 C MET A 88 -4.057 -2.362 1.450 1.00 0.00 C ATOM 1356 O MET A 88 -3.954 -3.189 2.357 1.00 0.00 O ATOM 1357 CB MET A 88 -4.855 -3.244 -0.751 1.00 0.00 C ATOM 1358 CG MET A 88 -5.483 -4.479 -0.125 1.00 0.00 C ATOM 1359 SD MET A 88 -6.714 -4.074 1.128 1.00 0.00 S ATOM 1360 CE MET A 88 -8.222 -4.551 0.289 1.00 0.00 C ATOM 0 H MET A 88 -2.839 -4.619 0.355 1.00 0.00 H new ATOM 0 HA MET A 88 -3.282 -1.807 -0.463 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.608 -2.458 -0.818 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.548 -3.480 -1.770 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.949 -5.080 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.701 -5.091 0.324 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.811 -3.661 0.066 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.975 -5.065 -0.640 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.800 -5.217 0.930 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.522 -1.132 1.642 1.00 0.00 N ATOM 1371 CA PHE A 89 -4.948 -0.672 2.958 1.00 0.00 C ATOM 1372 C PHE A 89 -6.345 -0.062 2.895 1.00 0.00 C ATOM 1373 O PHE A 89 -6.759 0.460 1.860 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.956 0.354 3.510 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.581 -0.206 3.742 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.253 -0.790 4.955 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.618 -0.148 2.748 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.989 -1.306 5.172 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.352 -0.662 2.959 1.00 0.00 C ATOM 1380 CZ PHE A 89 -0.038 -1.242 4.173 1.00 0.00 C ATOM 0 H PHE A 89 -4.613 -0.436 0.902 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.976 -1.534 3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.886 1.191 2.815 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.341 0.751 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.993 -0.843 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.859 0.304 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.746 -1.759 6.122 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.390 -0.610 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.950 -1.645 4.340 1.00 0.00 H new ATOM 1390 N SER A 90 -7.066 -0.131 4.009 1.00 0.00 N ATOM 1391 CA SER A 90 -8.417 0.414 4.080 1.00 0.00 C ATOM 1392 C SER A 90 -8.417 1.782 4.755 1.00 0.00 C ATOM 1393 O SER A 90 -7.722 1.995 5.748 1.00 0.00 O ATOM 1394 CB SER A 90 -9.337 -0.543 4.840 1.00 0.00 C ATOM 1395 OG SER A 90 -10.017 -1.412 3.951 1.00 0.00 O ATOM 0 H SER A 90 -6.738 -0.559 4.875 1.00 0.00 H new ATOM 0 HA SER A 90 -8.788 0.531 3.062 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.752 -1.129 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.062 0.028 5.420 1.00 0.00 H new ATOM 0 HG SER A 90 -10.025 -1.020 3.053 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.200 2.706 4.208 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.291 4.054 4.757 1.00 0.00 C ATOM 1403 C PHE A 91 -10.745 4.507 4.848 1.00 0.00 C ATOM 1404 O PHE A 91 -11.617 3.968 4.167 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.493 5.033 3.895 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.029 5.074 4.232 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.570 5.837 5.293 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.113 4.348 3.487 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.224 5.876 5.605 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -4.766 4.384 3.794 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.321 5.149 4.855 1.00 0.00 C ATOM 0 H PHE A 91 -9.781 2.546 3.385 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.870 4.039 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.609 4.759 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.912 6.032 4.011 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.272 6.408 5.883 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.456 3.747 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.879 6.475 6.435 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.062 3.815 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.269 5.178 5.097 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.998 5.500 5.693 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.346 6.026 5.873 1.00 0.00 C ATOM 1423 C ASN A 92 -12.341 7.551 5.865 1.00 0.00 C ATOM 1424 O ASN A 92 -13.125 8.188 6.569 1.00 0.00 O ATOM 1425 CB ASN A 92 -12.945 5.513 7.184 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.643 4.178 7.017 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.447 3.994 6.103 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -13.338 3.236 7.903 1.00 0.00 N ATOM 0 H ASN A 92 -10.287 5.957 6.264 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.959 5.679 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.154 5.416 7.928 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.655 6.246 7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.776 2.317 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.666 3.432 8.645 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.453 8.131 5.064 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.347 9.582 4.965 1.00 0.00 C ATOM 1437 C ASN A 93 -10.580 9.986 3.710 1.00 0.00 C ATOM 1438 O ASN A 93 -9.384 9.724 3.589 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.653 10.149 6.205 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.631 10.473 7.317 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -11.469 10.023 8.452 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -12.654 11.256 6.996 1.00 0.00 N ATOM 0 H ASN A 93 -10.797 7.619 4.474 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.355 9.992 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.919 9.429 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.106 11.051 5.931 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.345 11.507 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.749 11.606 6.043 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.278 10.626 2.777 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.663 11.066 1.530 1.00 0.00 C ATOM 1451 C ARG A 94 -9.593 12.120 1.794 1.00 0.00 C ATOM 1452 O ARG A 94 -8.601 12.208 1.070 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.726 11.627 0.583 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.500 11.257 -0.873 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.562 11.865 -1.775 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.074 13.053 -2.471 1.00 0.00 N ATOM 1457 CZ ARG A 94 -11.298 13.014 -3.552 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.919 11.849 -4.063 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.899 14.142 -4.123 1.00 0.00 N ATOM 0 H ARG A 94 -12.269 10.851 2.861 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.189 10.203 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.706 11.264 0.894 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.745 12.713 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.514 11.600 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.509 10.172 -0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.885 11.124 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.437 12.127 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.344 13.967 -2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.222 10.978 -3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.324 11.825 -4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.187 15.040 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.304 14.112 -4.951 1.00 0.00 H new ATOM 1473 N THR A 95 -9.800 12.918 2.837 1.00 0.00 N ATOM 1474 CA THR A 95 -8.852 13.966 3.197 1.00 0.00 C ATOM 1475 C THR A 95 -7.545 13.367 3.705 1.00 0.00 C ATOM 1476 O THR A 95 -6.462 13.873 3.411 1.00 0.00 O ATOM 1477 CB THR A 95 -9.454 14.884 4.262 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.680 15.434 3.815 1.00 0.00 O ATOM 1479 CG2 THR A 95 -8.547 16.033 4.644 1.00 0.00 C ATOM 0 H THR A 95 -10.615 12.859 3.447 1.00 0.00 H new ATOM 0 HA THR A 95 -8.639 14.551 2.302 1.00 0.00 H new ATOM 0 HB THR A 95 -9.601 14.252 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.050 16.017 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.035 16.645 5.403 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.610 15.641 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.342 16.642 3.764 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.654 12.284 4.469 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.481 11.615 5.018 1.00 0.00 C ATOM 1489 C VAL A 96 -5.782 10.773 3.956 1.00 0.00 C ATOM 1490 O VAL A 96 -4.559 10.632 3.968 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.855 10.712 6.209 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.604 10.178 6.888 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.727 11.468 7.199 1.00 0.00 C ATOM 0 H VAL A 96 -8.543 11.852 4.721 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.804 12.396 5.363 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.426 9.863 5.832 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.888 9.542 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.022 9.596 6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.003 11.012 7.252 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.981 10.814 8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.185 12.337 7.571 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.641 11.795 6.703 1.00 0.00 H new ATOM 1503 N MET A 97 -6.566 10.216 3.040 1.00 0.00 N ATOM 1504 CA MET A 97 -6.022 9.387 1.970 1.00 0.00 C ATOM 1505 C MET A 97 -5.048 10.183 1.108 1.00 0.00 C ATOM 1506 O MET A 97 -4.048 9.648 0.628 1.00 0.00 O ATOM 1507 CB MET A 97 -7.153 8.832 1.102 1.00 0.00 C ATOM 1508 CG MET A 97 -7.722 7.518 1.612 1.00 0.00 C ATOM 1509 SD MET A 97 -7.041 6.086 0.755 1.00 0.00 S ATOM 1510 CE MET A 97 -7.760 6.291 -0.872 1.00 0.00 C ATOM 0 H MET A 97 -7.580 10.323 3.016 1.00 0.00 H new ATOM 0 HA MET A 97 -5.482 8.557 2.425 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.954 9.569 1.049 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.784 8.689 0.087 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.518 7.428 2.679 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.806 7.526 1.494 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.358 5.414 -1.119 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.395 7.177 -0.880 1.00 0.00 H new ATOM 0 HE3 MET A 97 -6.965 6.407 -1.609 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.346 11.464 0.915 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.496 12.333 0.110 1.00 0.00 C ATOM 1522 C ASP A 98 -3.137 12.531 0.774 1.00 0.00 C ATOM 1523 O ASP A 98 -2.102 12.519 0.107 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.174 13.688 -0.104 1.00 0.00 C ATOM 1525 CG ASP A 98 -4.432 14.554 -1.102 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -3.933 14.007 -2.108 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -4.351 15.781 -0.879 1.00 0.00 O ATOM 0 H ASP A 98 -6.169 11.923 1.305 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.342 11.855 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.195 13.530 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.241 14.212 0.849 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.147 12.712 2.090 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.915 12.912 2.844 1.00 0.00 C ATOM 1534 C ASN A 99 -0.989 11.709 2.703 1.00 0.00 C ATOM 1535 O ASN A 99 0.209 11.860 2.465 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.230 13.158 4.321 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.285 14.159 4.955 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -0.802 15.078 4.295 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -1.017 13.985 6.244 1.00 0.00 N ATOM 0 H ASN A 99 -3.995 12.724 2.657 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.408 13.787 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.254 13.519 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.173 12.214 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.388 14.628 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.440 13.209 6.753 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.553 10.514 2.850 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.777 9.285 2.738 1.00 0.00 C ATOM 1548 C ILE A 100 -0.253 9.096 1.318 1.00 0.00 C ATOM 1549 O ILE A 100 0.948 8.928 1.106 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.614 8.053 3.133 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.285 8.277 4.489 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.740 6.807 3.169 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.309 8.585 5.604 1.00 0.00 C ATOM 0 H ILE A 100 -2.544 10.371 3.047 1.00 0.00 H new ATOM 0 HA ILE A 100 0.064 9.377 3.425 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.392 7.907 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.996 9.099 4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.857 7.388 4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.346 5.946 3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.305 6.639 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.058 6.943 3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.855 8.732 6.536 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.613 7.754 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.754 9.491 5.362 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.161 9.125 0.349 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.791 8.957 -1.052 1.00 0.00 C ATOM 1567 C LYS A 101 0.178 10.050 -1.491 1.00 0.00 C ATOM 1568 O LYS A 101 1.042 9.824 -2.339 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.038 8.979 -1.937 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.751 8.683 -3.400 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.790 9.316 -4.311 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.910 8.343 -4.640 1.00 0.00 C ATOM 1573 NZ LYS A 101 -4.536 8.642 -5.957 1.00 0.00 N ATOM 0 H LYS A 101 -2.159 9.263 0.508 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.296 7.992 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.753 8.248 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.511 9.958 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.761 9.057 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.736 7.605 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.206 10.202 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.313 9.648 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.517 7.326 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.669 8.386 -3.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.295 7.956 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.934 9.603 -5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.817 8.576 -6.706 1.00 0.00 H new ATOM 1587 N MET A 102 0.029 11.235 -0.909 1.00 0.00 N ATOM 1588 CA MET A 102 0.891 12.364 -1.239 1.00 0.00 C ATOM 1589 C MET A 102 2.268 12.201 -0.603 1.00 0.00 C ATOM 1590 O MET A 102 3.291 12.444 -1.242 1.00 0.00 O ATOM 1591 CB MET A 102 0.252 13.673 -0.773 1.00 0.00 C ATOM 1592 CG MET A 102 1.080 14.905 -1.101 1.00 0.00 C ATOM 1593 SD MET A 102 0.295 16.434 -0.557 1.00 0.00 S ATOM 1594 CE MET A 102 -1.379 16.182 -1.141 1.00 0.00 C ATOM 0 H MET A 102 -0.681 11.439 -0.206 1.00 0.00 H new ATOM 0 HA MET A 102 1.012 12.393 -2.322 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.730 13.772 -1.234 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.095 13.627 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.059 14.816 -0.630 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.247 14.950 -2.177 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.906 17.136 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.354 15.764 -2.147 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.897 15.493 -0.474 1.00 0.00 H new ATOM 1604 N THR A 103 2.284 11.788 0.660 1.00 0.00 N ATOM 1605 CA THR A 103 3.534 11.592 1.385 1.00 0.00 C ATOM 1606 C THR A 103 4.384 10.512 0.721 1.00 0.00 C ATOM 1607 O THR A 103 5.581 10.698 0.503 1.00 0.00 O ATOM 1608 CB THR A 103 3.251 11.212 2.839 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.460 12.203 3.471 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.505 11.031 3.666 1.00 0.00 C ATOM 0 H THR A 103 1.445 11.583 1.203 1.00 0.00 H new ATOM 0 HA THR A 103 4.088 12.530 1.364 1.00 0.00 H new ATOM 0 HB THR A 103 2.726 10.258 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.518 11.932 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.232 10.762 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.115 10.238 3.233 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.072 11.962 3.675 1.00 0.00 H new ATOM 1618 N LEU A 104 3.757 9.384 0.404 1.00 0.00 N ATOM 1619 CA LEU A 104 4.456 8.275 -0.235 1.00 0.00 C ATOM 1620 C LEU A 104 5.054 8.705 -1.571 1.00 0.00 C ATOM 1621 O LEU A 104 6.201 8.383 -1.882 1.00 0.00 O ATOM 1622 CB LEU A 104 3.502 7.096 -0.443 1.00 0.00 C ATOM 1623 CG LEU A 104 3.496 6.062 0.684 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.395 6.372 1.686 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.327 4.659 0.119 1.00 0.00 C ATOM 0 H LEU A 104 2.767 9.214 0.579 1.00 0.00 H new ATOM 0 HA LEU A 104 5.269 7.964 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.491 7.484 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.766 6.595 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 104 4.454 6.110 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.406 5.626 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.560 7.361 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.429 6.352 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.325 3.936 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.384 4.596 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.151 4.438 -0.559 1.00 0.00 H new ATOM 1637 N GLN A 105 4.268 9.433 -2.358 1.00 0.00 N ATOM 1638 CA GLN A 105 4.719 9.906 -3.662 1.00 0.00 C ATOM 1639 C GLN A 105 5.971 10.768 -3.526 1.00 0.00 C ATOM 1640 O GLN A 105 6.807 10.811 -4.429 1.00 0.00 O ATOM 1641 CB GLN A 105 3.610 10.704 -4.350 1.00 0.00 C ATOM 1642 CG GLN A 105 2.578 9.833 -5.048 1.00 0.00 C ATOM 1643 CD GLN A 105 1.537 10.646 -5.792 1.00 0.00 C ATOM 1644 OE1 GLN A 105 0.571 11.128 -5.201 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.729 10.802 -7.097 1.00 0.00 N ATOM 0 H GLN A 105 3.316 9.708 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 105 4.963 9.036 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.107 11.325 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.058 11.378 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.083 9.168 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.082 9.202 -4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.544 10.385 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.061 11.339 -7.650 1.00 0.00 H new ATOM 1654 N GLN A 106 6.094 11.452 -2.393 1.00 0.00 N ATOM 1655 CA GLN A 106 7.244 12.312 -2.140 1.00 0.00 C ATOM 1656 C GLN A 106 8.468 11.487 -1.759 1.00 0.00 C ATOM 1657 O GLN A 106 9.588 11.794 -2.168 1.00 0.00 O ATOM 1658 CB GLN A 106 6.923 13.314 -1.029 1.00 0.00 C ATOM 1659 CG GLN A 106 6.320 14.613 -1.537 1.00 0.00 C ATOM 1660 CD GLN A 106 7.348 15.719 -1.672 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.186 16.804 -1.112 1.00 0.00 O ATOM 1662 NE2 GLN A 106 8.413 15.450 -2.418 1.00 0.00 N ATOM 0 H GLN A 106 5.411 11.427 -1.636 1.00 0.00 H new ATOM 0 HA GLN A 106 7.468 12.856 -3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.231 12.853 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.837 13.538 -0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.851 14.437 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.533 14.935 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.506 14.537 -2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.138 16.156 -2.545 1.00 0.00 H new ATOM 1671 N ILE A 107 8.248 10.437 -0.974 1.00 0.00 N ATOM 1672 CA ILE A 107 9.334 9.568 -0.538 1.00 0.00 C ATOM 1673 C ILE A 107 9.813 8.674 -1.677 1.00 0.00 C ATOM 1674 O ILE A 107 11.013 8.472 -1.858 1.00 0.00 O ATOM 1675 CB ILE A 107 8.905 8.684 0.650 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.269 9.540 1.747 1.00 0.00 C ATOM 1677 CG2 ILE A 107 10.098 7.914 1.196 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.422 8.746 2.717 1.00 0.00 C ATOM 0 H ILE A 107 7.327 10.168 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 107 10.151 10.217 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 107 8.164 7.966 0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.057 10.052 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.652 10.310 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.779 7.295 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.511 7.279 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.861 8.616 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 107 7.003 9.416 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.613 8.255 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.039 7.993 3.208 1.00 0.00 H new ATOM 1690 N ILE A 108 8.866 8.140 -2.442 1.00 0.00 N ATOM 1691 CA ILE A 108 9.192 7.267 -3.563 1.00 0.00 C ATOM 1692 C ILE A 108 9.816 8.057 -4.709 1.00 0.00 C ATOM 1693 O ILE A 108 10.795 7.622 -5.315 1.00 0.00 O ATOM 1694 CB ILE A 108 7.944 6.527 -4.083 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.207 5.847 -2.927 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.334 5.507 -5.142 1.00 0.00 C ATOM 1697 CD1 ILE A 108 5.727 5.659 -3.182 1.00 0.00 C ATOM 0 H ILE A 108 7.867 8.297 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 108 9.910 6.534 -3.195 1.00 0.00 H new ATOM 0 HB ILE A 108 7.273 7.256 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.662 4.874 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.339 6.441 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.441 4.993 -5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.818 6.015 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.023 4.780 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.269 5.171 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.259 6.630 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE A 108 5.586 5.039 -4.068 1.00 0.00 H new ATOM 1709 N SER A 109 9.243 9.221 -4.999 1.00 0.00 N ATOM 1710 CA SER A 109 9.744 10.072 -6.072 1.00 0.00 C ATOM 1711 C SER A 109 11.159 10.552 -5.770 1.00 0.00 C ATOM 1712 O SER A 109 11.982 10.698 -6.674 1.00 0.00 O ATOM 1713 CB SER A 109 8.817 11.273 -6.274 1.00 0.00 C ATOM 1714 OG SER A 109 7.574 10.872 -6.823 1.00 0.00 O ATOM 0 H SER A 109 8.432 9.596 -4.506 1.00 0.00 H new ATOM 0 HA SER A 109 9.768 9.482 -6.988 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.652 11.773 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.293 11.997 -6.935 1.00 0.00 H new ATOM 0 HG SER A 109 7.013 10.488 -6.117 1.00 0.00 H new ATOM 1720 N ARG A 110 11.435 10.796 -4.493 1.00 0.00 N ATOM 1721 CA ARG A 110 12.752 11.260 -4.072 1.00 0.00 C ATOM 1722 C ARG A 110 13.800 10.169 -4.265 1.00 0.00 C ATOM 1723 O ARG A 110 14.967 10.456 -4.533 1.00 0.00 O ATOM 1724 CB ARG A 110 12.717 11.696 -2.606 1.00 0.00 C ATOM 1725 CG ARG A 110 12.248 13.128 -2.408 1.00 0.00 C ATOM 1726 CD ARG A 110 13.111 14.109 -3.185 1.00 0.00 C ATOM 1727 NE ARG A 110 12.500 14.488 -4.456 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.045 15.347 -5.314 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.211 15.919 -5.040 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.423 15.636 -6.449 1.00 0.00 N ATOM 0 H ARG A 110 10.765 10.680 -3.733 1.00 0.00 H new ATOM 0 HA ARG A 110 13.024 12.114 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.058 11.027 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 110 13.714 11.587 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 110 11.211 13.220 -2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.276 13.378 -1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.277 15.002 -2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 110 14.088 13.664 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 110 11.602 14.070 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.694 15.701 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.624 16.577 -5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.527 15.200 -6.665 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.841 16.294 -7.106 1.00 0.00 H new ATOM 1744 N TYR A 111 13.377 8.917 -4.127 1.00 0.00 N ATOM 1745 CA TYR A 111 14.280 7.783 -4.287 1.00 0.00 C ATOM 1746 C TYR A 111 14.157 7.166 -5.679 1.00 0.00 C ATOM 1747 O TYR A 111 14.688 6.085 -5.935 1.00 0.00 O ATOM 1748 CB TYR A 111 13.989 6.723 -3.223 1.00 0.00 C ATOM 1749 CG TYR A 111 14.202 7.210 -1.808 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.312 7.978 -1.477 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.294 6.902 -0.802 1.00 0.00 C ATOM 1752 CE1 TYR A 111 15.510 8.425 -0.185 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.486 7.346 0.492 1.00 0.00 C ATOM 1754 CZ TYR A 111 14.595 8.107 0.796 1.00 0.00 C ATOM 1755 OH TYR A 111 14.789 8.550 2.084 1.00 0.00 O ATOM 0 H TYR A 111 12.415 8.662 -3.905 1.00 0.00 H new ATOM 0 HA TYR A 111 15.300 8.149 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.958 6.386 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.628 5.858 -3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 111 16.031 8.229 -2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.424 6.306 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 111 16.378 9.021 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.771 7.098 1.262 1.00 0.00 H new ATOM 0 HH TYR A 111 14.687 7.800 2.707 1.00 0.00 H new ATOM 1765 N LYS A 112 13.457 7.855 -6.577 1.00 0.00 N ATOM 1766 CA LYS A 112 13.272 7.367 -7.938 1.00 0.00 C ATOM 1767 C LYS A 112 14.508 7.644 -8.787 1.00 0.00 C ATOM 1768 O LYS A 112 14.958 6.785 -9.546 1.00 0.00 O ATOM 1769 CB LYS A 112 12.044 8.020 -8.575 1.00 0.00 C ATOM 1770 CG LYS A 112 10.760 7.233 -8.368 1.00 0.00 C ATOM 1771 CD LYS A 112 9.837 7.348 -9.570 1.00 0.00 C ATOM 1772 CE LYS A 112 8.383 7.138 -9.178 1.00 0.00 C ATOM 1773 NZ LYS A 112 7.929 5.747 -9.456 1.00 0.00 N ATOM 0 H LYS A 112 13.010 8.752 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 112 13.118 6.289 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.918 9.020 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.219 8.138 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.999 6.184 -8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.248 7.598 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.953 8.331 -10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.122 6.611 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.258 7.356 -8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.754 7.841 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.267 5.752 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.751 5.154 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.452 5.363 -8.616 1.00 0.00 H new ATOM 1787 N ASP A 113 15.054 8.848 -8.653 1.00 0.00 N ATOM 1788 CA ASP A 113 16.240 9.239 -9.408 1.00 0.00 C ATOM 1789 C ASP A 113 17.519 8.933 -8.630 1.00 0.00 C ATOM 1790 O ASP A 113 18.604 9.376 -9.008 1.00 0.00 O ATOM 1791 CB ASP A 113 16.183 10.729 -9.745 1.00 0.00 C ATOM 1792 CG ASP A 113 16.860 11.051 -11.063 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.424 10.511 -12.101 1.00 0.00 O ATOM 1794 OD2 ASP A 113 17.826 11.842 -11.056 1.00 0.00 O ATOM 0 H ASP A 113 14.695 9.570 -8.029 1.00 0.00 H new ATOM 0 HA ASP A 113 16.255 8.659 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.142 11.049 -9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.660 11.298 -8.947 1.00 0.00 H new ATOM 1799 N ALA A 114 17.389 8.174 -7.545 1.00 0.00 N ATOM 1800 CA ALA A 114 18.537 7.813 -6.722 1.00 0.00 C ATOM 1801 C ALA A 114 19.280 9.054 -6.236 1.00 0.00 C ATOM 1802 O ALA A 114 20.507 9.061 -6.148 1.00 0.00 O ATOM 1803 CB ALA A 114 19.476 6.905 -7.501 1.00 0.00 C ATOM 0 H ALA A 114 16.500 7.798 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 114 18.171 7.277 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 114 20.330 6.642 -6.876 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.946 5.998 -7.792 1.00 0.00 H new ATOM 0 HB3 ALA A 114 19.826 7.423 -8.394 1.00 0.00 H new ATOM 1809 N ASP A 115 18.526 10.102 -5.920 1.00 0.00 N ATOM 1810 CA ASP A 115 19.113 11.349 -5.443 1.00 0.00 C ATOM 1811 C ASP A 115 20.053 11.943 -6.486 1.00 0.00 C ATOM 1812 O ASP A 115 20.291 11.276 -7.515 1.00 0.00 O ATOM 1813 CB ASP A 115 19.869 11.113 -4.134 1.00 0.00 C ATOM 1814 CG ASP A 115 19.742 12.280 -3.174 1.00 0.00 C ATOM 1815 OD1 ASP A 115 18.696 12.382 -2.499 1.00 0.00 O ATOM 1816 OD2 ASP A 115 20.689 13.090 -3.097 1.00 0.00 O ATOM 1817 OXT ASP A 115 20.543 13.071 -6.267 1.00 0.00 O ATOM 0 H ASP A 115 17.508 10.113 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 115 18.304 12.057 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.489 10.210 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 115 20.923 10.939 -4.352 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -18.365 -12.835 -3.357 1.00 0.00 N ATOM 1824 CA ASP B 453 -18.570 -12.018 -4.548 1.00 0.00 C ATOM 1825 C ASP B 453 -17.983 -10.623 -4.358 1.00 0.00 C ATOM 1826 O ASP B 453 -18.489 -9.646 -4.909 1.00 0.00 O ATOM 1827 CB ASP B 453 -20.061 -11.917 -4.872 1.00 0.00 C ATOM 1828 CG ASP B 453 -20.590 -13.164 -5.554 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -20.952 -14.123 -4.840 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -20.643 -13.181 -6.802 1.00 0.00 O ATOM 0 HA ASP B 453 -18.056 -12.498 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -20.619 -11.745 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -20.233 -11.054 -5.515 1.00 0.00 H new ATOM 1835 N LEU B 454 -16.913 -10.539 -3.574 1.00 0.00 N ATOM 1836 CA LEU B 454 -16.257 -9.263 -3.311 1.00 0.00 C ATOM 1837 C LEU B 454 -14.914 -9.181 -4.031 1.00 0.00 C ATOM 1838 O LEU B 454 -14.460 -8.097 -4.397 1.00 0.00 O ATOM 1839 CB LEU B 454 -16.055 -9.071 -1.807 1.00 0.00 C ATOM 1840 CG LEU B 454 -16.191 -7.629 -1.314 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -17.656 -7.260 -1.141 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -15.433 -7.440 -0.008 1.00 0.00 C ATOM 0 H LEU B 454 -16.482 -11.339 -3.110 1.00 0.00 H new ATOM 0 HA LEU B 454 -16.900 -8.468 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -16.779 -9.690 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -15.064 -9.439 -1.539 1.00 0.00 H new ATOM 0 HG LEU B 454 -15.757 -6.966 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -17.733 -6.231 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -18.171 -7.357 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -18.116 -7.927 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -15.540 -6.409 0.329 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -15.838 -8.113 0.748 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -14.378 -7.663 -0.164 1.00 0.00 H new ATOM 1854 N ASP B 455 -14.283 -10.334 -4.230 1.00 0.00 N ATOM 1855 CA ASP B 455 -12.992 -10.392 -4.907 1.00 0.00 C ATOM 1856 C ASP B 455 -13.079 -9.785 -6.303 1.00 0.00 C ATOM 1857 O ASP B 455 -12.110 -9.214 -6.804 1.00 0.00 O ATOM 1858 CB ASP B 455 -12.505 -11.840 -4.998 1.00 0.00 C ATOM 1859 CG ASP B 455 -12.378 -12.494 -3.636 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -13.126 -12.101 -2.716 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -11.530 -13.399 -3.489 1.00 0.00 O ATOM 0 H ASP B 455 -14.644 -11.240 -3.932 1.00 0.00 H new ATOM 0 HA ASP B 455 -12.279 -9.811 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -13.198 -12.416 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -11.538 -11.864 -5.501 1.00 0.00 H new ATOM 1866 N GLU B 456 -14.246 -9.910 -6.926 1.00 0.00 N ATOM 1867 CA GLU B 456 -14.460 -9.373 -8.264 1.00 0.00 C ATOM 1868 C GLU B 456 -14.320 -7.854 -8.269 1.00 0.00 C ATOM 1869 O GLU B 456 -13.892 -7.263 -9.260 1.00 0.00 O ATOM 1870 CB GLU B 456 -15.844 -9.770 -8.781 1.00 0.00 C ATOM 1871 CG GLU B 456 -15.986 -9.654 -10.290 1.00 0.00 C ATOM 1872 CD GLU B 456 -15.490 -10.886 -11.019 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -14.618 -11.591 -10.468 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -15.972 -11.148 -12.141 1.00 0.00 O ATOM 0 H GLU B 456 -15.058 -10.379 -6.525 1.00 0.00 H new ATOM 0 HA GLU B 456 -13.700 -9.793 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -16.053 -10.797 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -16.595 -9.140 -8.304 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -17.033 -9.485 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -15.431 -8.783 -10.637 1.00 0.00 H new ATOM 1881 N SER B 457 -14.683 -7.229 -7.153 1.00 0.00 N ATOM 1882 CA SER B 457 -14.597 -5.778 -7.027 1.00 0.00 C ATOM 1883 C SER B 457 -13.232 -5.357 -6.492 1.00 0.00 C ATOM 1884 O SER B 457 -12.748 -4.265 -6.790 1.00 0.00 O ATOM 1885 CB SER B 457 -15.701 -5.260 -6.105 1.00 0.00 C ATOM 1886 OG SER B 457 -15.961 -3.887 -6.341 1.00 0.00 O ATOM 0 H SER B 457 -15.039 -7.704 -6.324 1.00 0.00 H new ATOM 0 HA SER B 457 -14.727 -5.344 -8.018 1.00 0.00 H new ATOM 0 HB2 SER B 457 -16.612 -5.838 -6.263 1.00 0.00 H new ATOM 0 HB3 SER B 457 -15.408 -5.404 -5.065 1.00 0.00 H new ATOM 0 HG SER B 457 -16.672 -3.581 -5.740 1.00 0.00 H new ATOM 1892 N TRP B 458 -12.616 -6.230 -5.699 1.00 0.00 N ATOM 1893 CA TRP B 458 -11.307 -5.948 -5.122 1.00 0.00 C ATOM 1894 C TRP B 458 -10.278 -5.661 -6.212 1.00 0.00 C ATOM 1895 O TRP B 458 -9.319 -4.920 -5.995 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.844 -7.125 -4.260 1.00 0.00 C ATOM 1897 CG TRP B 458 -10.785 -6.803 -2.798 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -9.770 -7.097 -1.934 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -11.785 -6.125 -2.028 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -10.077 -6.643 -0.673 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -11.309 -6.043 -0.706 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -13.036 -5.579 -2.328 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -12.040 -5.438 0.313 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -13.761 -4.978 -1.316 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -13.261 -4.911 -0.010 1.00 0.00 C ATOM 0 H TRP B 458 -13.003 -7.138 -5.442 1.00 0.00 H new ATOM 0 HA TRP B 458 -11.397 -5.061 -4.495 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -11.520 -7.966 -4.413 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.857 -7.445 -4.594 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -8.859 -7.611 -2.202 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -9.485 -6.737 0.152 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -13.429 -5.626 -3.333 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -11.657 -5.386 1.322 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.729 -4.553 -1.536 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -13.851 -4.434 0.758 1.00 0.00 H new ATOM 1916 N ASP B 459 -10.483 -6.252 -7.385 1.00 0.00 N ATOM 1917 CA ASP B 459 -9.572 -6.059 -8.507 1.00 0.00 C ATOM 1918 C ASP B 459 -9.999 -4.867 -9.359 1.00 0.00 C ATOM 1919 O ASP B 459 -9.169 -4.224 -10.003 1.00 0.00 O ATOM 1920 CB ASP B 459 -9.517 -7.322 -9.369 1.00 0.00 C ATOM 1921 CG ASP B 459 -8.496 -8.322 -8.864 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -8.775 -8.994 -7.848 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -7.418 -8.435 -9.484 1.00 0.00 O ATOM 0 H ASP B 459 -11.271 -6.868 -7.583 1.00 0.00 H new ATOM 0 HA ASP B 459 -8.579 -5.857 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -10.501 -7.790 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -9.276 -7.048 -10.396 1.00 0.00 H new ATOM 1928 N TYR B 460 -11.296 -4.577 -9.361 1.00 0.00 N ATOM 1929 CA TYR B 460 -11.830 -3.463 -10.137 1.00 0.00 C ATOM 1930 C TYR B 460 -11.920 -2.187 -9.298 1.00 0.00 C ATOM 1931 O TYR B 460 -12.330 -1.139 -9.797 1.00 0.00 O ATOM 1932 CB TYR B 460 -13.211 -3.820 -10.692 1.00 0.00 C ATOM 1933 CG TYR B 460 -13.386 -3.472 -12.153 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -12.920 -2.265 -12.660 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -14.016 -4.351 -13.025 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -13.078 -1.944 -13.995 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -14.178 -4.036 -14.361 1.00 0.00 C ATOM 1938 CZ TYR B 460 -13.707 -2.832 -14.841 1.00 0.00 C ATOM 1939 OH TYR B 460 -13.866 -2.516 -16.170 1.00 0.00 O ATOM 0 H TYR B 460 -11.997 -5.098 -8.834 1.00 0.00 H new ATOM 0 HA TYR B 460 -11.145 -3.276 -10.964 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -13.382 -4.888 -10.559 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -13.972 -3.301 -10.110 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -12.427 -1.567 -12.000 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -14.385 -5.295 -12.653 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -12.710 -1.002 -14.374 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -14.671 -4.730 -15.026 1.00 0.00 H new ATOM 0 HH TYR B 460 -14.328 -3.249 -16.628 1.00 0.00 H new ATOM 1949 N ILE B 461 -11.538 -2.277 -8.026 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.582 -1.123 -7.136 1.00 0.00 C ATOM 1951 C ILE B 461 -10.203 -0.484 -6.993 1.00 0.00 C ATOM 1952 O ILE B 461 -10.075 0.739 -6.961 1.00 0.00 O ATOM 1953 CB ILE B 461 -12.111 -1.508 -5.738 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -12.289 -0.259 -4.873 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -11.171 -2.497 -5.064 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.828 -0.554 -3.490 1.00 0.00 C ATOM 0 H ILE B 461 -11.196 -3.134 -7.591 1.00 0.00 H new ATOM 0 HA ILE B 461 -12.266 -0.403 -7.586 1.00 0.00 H new ATOM 0 HB ILE B 461 -13.083 -1.987 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -11.329 0.248 -4.779 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.966 0.430 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.561 -2.756 -4.080 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -11.093 -3.398 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -10.185 -2.046 -4.956 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.929 0.377 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.803 -1.034 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.141 -1.218 -2.966 1.00 0.00 H new ATOM 1968 N PHE B 462 -9.175 -1.322 -6.907 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.806 -0.840 -6.768 1.00 0.00 C ATOM 1970 C PHE B 462 -7.173 -0.595 -8.134 1.00 0.00 C ATOM 1971 O PHE B 462 -6.340 0.297 -8.292 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.967 -1.845 -5.977 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.266 -1.849 -4.505 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -6.992 -0.736 -3.726 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.821 -2.965 -3.900 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.266 -0.736 -2.372 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.098 -2.972 -2.546 1.00 0.00 C ATOM 1978 CZ PHE B 462 -7.820 -1.856 -1.781 1.00 0.00 C ATOM 0 H PHE B 462 -9.264 -2.338 -6.931 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.834 0.105 -6.226 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -7.139 -2.844 -6.377 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.911 -1.620 -6.124 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -6.559 0.142 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -8.040 -3.840 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -7.048 0.138 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.531 -3.848 -2.087 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.035 -1.859 -0.723 1.00 0.00 H new ATOM 1988 N GLU B 463 -7.575 -1.392 -9.118 1.00 0.00 N ATOM 1989 CA GLU B 463 -7.048 -1.262 -10.471 1.00 0.00 C ATOM 1990 C GLU B 463 -7.472 0.063 -11.095 1.00 0.00 C ATOM 1991 O GLU B 463 -6.684 0.723 -11.772 1.00 0.00 O ATOM 1992 CB GLU B 463 -7.526 -2.425 -11.342 1.00 0.00 C ATOM 1993 CG GLU B 463 -6.989 -2.382 -12.763 1.00 0.00 C ATOM 1994 CD GLU B 463 -5.802 -3.303 -12.966 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -4.735 -3.036 -12.373 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -5.938 -4.291 -13.718 1.00 0.00 O ATOM 0 H GLU B 463 -8.264 -2.135 -9.004 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.960 -1.284 -10.413 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -7.225 -3.364 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -8.616 -2.420 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -7.783 -2.661 -13.456 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -6.697 -1.360 -13.006 1.00 0.00 H new ATOM 2003 N THR B 464 -8.723 0.447 -10.862 1.00 0.00 N ATOM 2004 CA THR B 464 -9.253 1.694 -11.401 1.00 0.00 C ATOM 2005 C THR B 464 -8.487 2.893 -10.853 1.00 0.00 C ATOM 2006 O THR B 464 -8.122 2.925 -9.678 1.00 0.00 O ATOM 2007 CB THR B 464 -10.740 1.828 -11.066 1.00 0.00 C ATOM 2008 OG1 THR B 464 -11.444 0.654 -11.433 1.00 0.00 O ATOM 2009 CG2 THR B 464 -11.406 2.997 -11.757 1.00 0.00 C ATOM 0 H THR B 464 -9.388 -0.088 -10.304 1.00 0.00 H new ATOM 0 HA THR B 464 -9.132 1.673 -12.484 1.00 0.00 H new ATOM 0 HB THR B 464 -10.780 1.993 -9.989 1.00 0.00 H new ATOM 0 HG1 THR B 464 -11.962 0.330 -10.667 1.00 0.00 H new ATOM 0 HG21 THR B 464 -12.459 3.034 -11.476 1.00 0.00 H new ATOM 0 HG22 THR B 464 -10.917 3.924 -11.456 1.00 0.00 H new ATOM 0 HG23 THR B 464 -11.323 2.877 -12.837 1.00 0.00 H new ATOM 2017 N THR B 465 -8.246 3.878 -11.712 1.00 0.00 N ATOM 2018 CA THR B 465 -7.523 5.080 -11.313 1.00 0.00 C ATOM 2019 C THR B 465 -8.170 6.327 -11.908 1.00 0.00 C ATOM 2020 O THR B 465 -8.406 7.310 -11.206 1.00 0.00 O ATOM 2021 CB THR B 465 -6.061 4.991 -11.754 1.00 0.00 C ATOM 2022 OG1 THR B 465 -5.960 5.033 -13.167 1.00 0.00 O ATOM 2023 CG2 THR B 465 -5.369 3.731 -11.282 1.00 0.00 C ATOM 0 H THR B 465 -8.541 3.868 -12.688 1.00 0.00 H new ATOM 0 HA THR B 465 -7.564 5.154 -10.226 1.00 0.00 H new ATOM 0 HB THR B 465 -5.569 5.849 -11.297 1.00 0.00 H new ATOM 0 HG1 THR B 465 -5.017 4.977 -13.429 1.00 0.00 H new ATOM 0 HG21 THR B 465 -4.336 3.732 -11.629 1.00 0.00 H new ATOM 0 HG22 THR B 465 -5.386 3.693 -10.193 1.00 0.00 H new ATOM 0 HG23 THR B 465 -5.886 2.860 -11.684 1.00 0.00 H new TER 2031 THR B 465