USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 SER OG : rot -26:sc= 0.215 USER MOD Set 2.1: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -159:sc= 1.37 (180deg=0.949) USER MOD Set 3.1: A 7 HIS : no HD1:sc= -3.25 K(o=-4.4,f=-8.5!) USER MOD Set 3.2: A 55 TYR OH : rot 96:sc= -1.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 11 THR OG1 : rot -23:sc= 0.912 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HE2:sc= 0.254 K(o=0.25,f=-0.91) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -1.7 F(o=-3.7,f=-1.7) USER MOD Single : A 29 THR OG1 : rot 110:sc= -1.14 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -164:sc= -3.32! (180deg=-3.95!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 165:sc= -4.88! USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.14 (180deg=-0.553) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 148:sc= -0.321 (180deg=-1.04) USER MOD Single : A 57 SER OG : rot -97:sc= -3.49! USER MOD Single : A 59 ASN : amide:sc= -2.02 K(o=-2,f=-7.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.144 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.143 F(o=-0.84,f=-0.14) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.0284 (180deg=-0.35) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 91 THR OG1 : rot 180:sc= -0.135 USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot 83:sc= 1.13 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.703 -27.878 -1.542 1.00 0.00 N ATOM 2 CA GLY A 1 -26.197 -27.523 -2.901 1.00 0.00 C ATOM 3 C GLY A 1 -25.093 -27.528 -3.939 1.00 0.00 C ATOM 4 O GLY A 1 -24.294 -28.463 -4.002 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.496 -27.860 -0.869 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.287 -28.831 -1.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.981 -27.191 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.973 -28.228 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.658 -26.536 -2.870 1.00 0.00 H new ATOM 10 N VAL A 2 -25.049 -26.482 -4.758 1.00 0.00 N ATOM 11 CA VAL A 2 -24.034 -26.368 -5.800 1.00 0.00 C ATOM 12 C VAL A 2 -23.174 -25.126 -5.590 1.00 0.00 C ATOM 13 O VAL A 2 -23.480 -24.283 -4.746 1.00 0.00 O ATOM 14 CB VAL A 2 -24.663 -26.308 -7.209 1.00 0.00 C ATOM 15 CG1 VAL A 2 -23.704 -26.873 -8.246 1.00 0.00 C ATOM 16 CG2 VAL A 2 -25.991 -27.051 -7.246 1.00 0.00 C ATOM 0 H VAL A 2 -25.704 -25.701 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 2 -23.413 -27.261 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 2 -24.855 -25.262 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.164 -26.823 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -22.783 -26.291 -8.245 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -23.477 -27.911 -8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -26.412 -26.993 -8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -25.831 -28.096 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -26.682 -26.597 -6.536 1.00 0.00 H new ATOM 26 N ARG A 3 -22.097 -25.017 -6.362 1.00 0.00 N ATOM 27 CA ARG A 3 -21.195 -23.877 -6.258 1.00 0.00 C ATOM 28 C ARG A 3 -20.408 -23.686 -7.550 1.00 0.00 C ATOM 29 O ARG A 3 -20.265 -24.615 -8.345 1.00 0.00 O ATOM 30 CB ARG A 3 -20.232 -24.066 -5.084 1.00 0.00 C ATOM 31 CG ARG A 3 -20.733 -23.458 -3.783 1.00 0.00 C ATOM 32 CD ARG A 3 -19.600 -22.823 -2.988 1.00 0.00 C ATOM 33 NE ARG A 3 -19.485 -23.394 -1.649 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.903 -24.563 -1.388 1.00 0.00 C ATOM 35 NH1 ARG A 3 -18.383 -25.287 -2.372 1.00 0.00 N ATOM 36 NH2 ARG A 3 -18.841 -25.009 -0.142 1.00 0.00 N ATOM 0 H ARG A 3 -21.828 -25.705 -7.066 1.00 0.00 H new ATOM 0 HA ARG A 3 -21.797 -22.985 -6.085 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.059 -25.132 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.271 -23.619 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.492 -22.706 -4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -21.213 -24.230 -3.181 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.660 -22.961 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.769 -21.749 -2.911 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.873 -22.866 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.428 -24.948 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.938 -26.182 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.239 -24.457 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.395 -25.904 0.058 1.00 0.00 H new ATOM 50 N LYS A 4 -19.897 -22.476 -7.752 1.00 0.00 N ATOM 51 CA LYS A 4 -19.121 -22.159 -8.943 1.00 0.00 C ATOM 52 C LYS A 4 -17.927 -23.089 -9.092 1.00 0.00 C ATOM 53 O LYS A 4 -17.489 -23.700 -8.118 1.00 0.00 O ATOM 54 CB LYS A 4 -18.580 -20.733 -8.864 1.00 0.00 C ATOM 55 CG LYS A 4 -19.557 -19.705 -8.300 1.00 0.00 C ATOM 56 CD LYS A 4 -18.934 -18.933 -7.146 1.00 0.00 C ATOM 57 CE LYS A 4 -19.564 -17.562 -6.956 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.670 -17.593 -5.960 1.00 0.00 N ATOM 0 H LYS A 4 -20.008 -21.697 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.791 -22.274 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.681 -20.735 -8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.280 -20.418 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.855 -19.012 -9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.462 -20.208 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.042 -19.509 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.865 -18.817 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.802 -16.854 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.946 -17.202 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.073 -16.640 -5.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -21.409 -18.249 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.301 -17.912 -5.041 1.00 0.00 H new ATOM 72 N GLY A 5 -17.351 -23.129 -10.294 1.00 0.00 N ATOM 73 CA GLY A 5 -16.146 -23.911 -10.498 1.00 0.00 C ATOM 74 C GLY A 5 -15.014 -23.153 -9.849 1.00 0.00 C ATOM 75 O GLY A 5 -14.133 -22.607 -10.516 1.00 0.00 O ATOM 0 H GLY A 5 -17.695 -22.639 -11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.250 -24.902 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.955 -24.054 -11.561 1.00 0.00 H new ATOM 79 N TRP A 6 -15.127 -23.041 -8.536 1.00 0.00 N ATOM 80 CA TRP A 6 -14.219 -22.261 -7.717 1.00 0.00 C ATOM 81 C TRP A 6 -12.964 -22.999 -7.281 1.00 0.00 C ATOM 82 O TRP A 6 -11.846 -22.611 -7.613 1.00 0.00 O ATOM 83 CB TRP A 6 -15.001 -21.883 -6.462 1.00 0.00 C ATOM 84 CG TRP A 6 -14.994 -20.438 -6.154 1.00 0.00 C ATOM 85 CD1 TRP A 6 -16.076 -19.641 -5.983 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.849 -19.628 -5.968 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.669 -18.362 -5.693 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.296 -18.333 -5.681 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.486 -19.882 -6.018 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.417 -17.285 -5.441 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.609 -18.857 -5.782 1.00 0.00 C ATOM 92 CH2 TRP A 6 -12.072 -17.563 -5.493 1.00 0.00 C ATOM 0 H TRP A 6 -15.866 -23.498 -8.002 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.878 -21.414 -8.312 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -16.033 -22.213 -6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.587 -22.426 -5.612 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -17.104 -19.963 -6.063 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.283 -17.567 -5.516 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -12.122 -20.874 -6.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.776 -16.290 -5.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.546 -19.046 -5.819 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.359 -16.773 -5.308 1.00 0.00 H new ATOM 103 N HIS A 7 -13.176 -24.025 -6.487 1.00 0.00 N ATOM 104 CA HIS A 7 -12.085 -24.812 -5.907 1.00 0.00 C ATOM 105 C HIS A 7 -11.232 -25.536 -6.946 1.00 0.00 C ATOM 106 O HIS A 7 -10.174 -26.072 -6.619 1.00 0.00 O ATOM 107 CB HIS A 7 -12.657 -25.845 -4.947 1.00 0.00 C ATOM 108 CG HIS A 7 -13.699 -25.302 -4.018 1.00 0.00 C ATOM 109 ND1 HIS A 7 -13.906 -23.953 -3.824 1.00 0.00 N ATOM 110 CD2 HIS A 7 -14.600 -25.937 -3.231 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.887 -23.780 -2.956 1.00 0.00 C ATOM 112 NE2 HIS A 7 -15.326 -24.968 -2.582 1.00 0.00 N ATOM 0 H HIS A 7 -14.106 -24.346 -6.219 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.437 -24.102 -5.393 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.090 -26.662 -5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.844 -26.267 -4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.724 -27.005 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.265 -22.829 -2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.082 -25.139 -1.919 1.00 0.00 H new ATOM 121 N GLU A 8 -11.712 -25.594 -8.173 1.00 0.00 N ATOM 122 CA GLU A 8 -11.007 -26.309 -9.241 1.00 0.00 C ATOM 123 C GLU A 8 -9.500 -26.036 -9.247 1.00 0.00 C ATOM 124 O GLU A 8 -8.705 -26.973 -9.310 1.00 0.00 O ATOM 125 CB GLU A 8 -11.583 -25.936 -10.609 1.00 0.00 C ATOM 126 CG GLU A 8 -12.111 -24.513 -10.692 1.00 0.00 C ATOM 127 CD GLU A 8 -12.471 -24.107 -12.107 1.00 0.00 C ATOM 128 OE1 GLU A 8 -13.371 -24.741 -12.697 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.852 -23.154 -12.627 1.00 0.00 O ATOM 0 H GLU A 8 -12.587 -25.157 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.155 -27.371 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.810 -26.070 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.390 -26.627 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.991 -24.418 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.359 -23.827 -10.301 1.00 0.00 H new ATOM 136 N HIS A 9 -9.100 -24.769 -9.199 1.00 0.00 N ATOM 137 CA HIS A 9 -7.673 -24.442 -9.224 1.00 0.00 C ATOM 138 C HIS A 9 -7.278 -23.441 -8.139 1.00 0.00 C ATOM 139 O HIS A 9 -6.440 -22.570 -8.370 1.00 0.00 O ATOM 140 CB HIS A 9 -7.280 -23.903 -10.601 1.00 0.00 C ATOM 141 CG HIS A 9 -6.112 -24.614 -11.210 1.00 0.00 C ATOM 142 ND1 HIS A 9 -6.124 -25.958 -11.516 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.888 -24.158 -11.572 1.00 0.00 C ATOM 144 CE1 HIS A 9 -4.959 -26.300 -12.038 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.193 -25.226 -12.083 1.00 0.00 N ATOM 0 H HIS A 9 -9.726 -23.965 -9.144 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.132 -25.366 -9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.135 -23.985 -11.272 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.044 -22.842 -10.513 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.527 -23.145 -11.476 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.681 -27.289 -12.371 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.238 -25.195 -12.440 1.00 0.00 H new ATOM 154 N VAL A 10 -7.853 -23.583 -6.953 1.00 0.00 N ATOM 155 CA VAL A 10 -7.514 -22.696 -5.844 1.00 0.00 C ATOM 156 C VAL A 10 -6.591 -23.411 -4.872 1.00 0.00 C ATOM 157 O VAL A 10 -5.443 -23.013 -4.680 1.00 0.00 O ATOM 158 CB VAL A 10 -8.758 -22.196 -5.079 1.00 0.00 C ATOM 159 CG1 VAL A 10 -8.403 -20.997 -4.213 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.877 -21.851 -6.044 1.00 0.00 C ATOM 0 H VAL A 10 -8.549 -24.295 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.018 -21.827 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.108 -22.997 -4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.291 -20.657 -3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.636 -21.282 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.027 -20.191 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.745 -21.501 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.543 -21.067 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.149 -22.737 -6.618 1.00 0.00 H new ATOM 170 N THR A 11 -7.096 -24.481 -4.274 1.00 0.00 N ATOM 171 CA THR A 11 -6.313 -25.272 -3.334 1.00 0.00 C ATOM 172 C THR A 11 -5.785 -24.406 -2.192 1.00 0.00 C ATOM 173 O THR A 11 -5.848 -23.178 -2.249 1.00 0.00 O ATOM 174 CB THR A 11 -5.150 -25.951 -4.064 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.052 -25.066 -4.193 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.512 -26.439 -5.455 1.00 0.00 C ATOM 0 H THR A 11 -8.046 -24.822 -4.423 1.00 0.00 H new ATOM 0 HA THR A 11 -6.963 -26.035 -2.906 1.00 0.00 H new ATOM 0 HB THR A 11 -4.893 -26.814 -3.450 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.370 -24.141 -4.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.642 -26.909 -5.914 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.323 -27.165 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.832 -25.594 -6.065 1.00 0.00 H new ATOM 184 N GLN A 12 -5.269 -25.055 -1.153 1.00 0.00 N ATOM 185 CA GLN A 12 -4.735 -24.345 0.004 1.00 0.00 C ATOM 186 C GLN A 12 -3.385 -23.707 -0.313 1.00 0.00 C ATOM 187 O GLN A 12 -3.089 -22.602 0.141 1.00 0.00 O ATOM 188 CB GLN A 12 -4.593 -25.299 1.191 1.00 0.00 C ATOM 189 CG GLN A 12 -3.782 -26.546 0.876 1.00 0.00 C ATOM 190 CD GLN A 12 -3.363 -27.299 2.124 1.00 0.00 C ATOM 191 OE1 GLN A 12 -2.323 -27.011 2.716 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.173 -28.270 2.529 1.00 0.00 N ATOM 0 H GLN A 12 -5.209 -26.071 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.436 -23.551 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.122 -24.769 2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.586 -25.597 1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.370 -27.206 0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.894 -26.264 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.025 -28.474 2.007 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.943 -28.812 3.362 1.00 0.00 H new ATOM 201 N ASP A 13 -2.567 -24.413 -1.088 1.00 0.00 N ATOM 202 CA ASP A 13 -1.245 -23.917 -1.457 1.00 0.00 C ATOM 203 C ASP A 13 -1.344 -22.617 -2.251 1.00 0.00 C ATOM 204 O ASP A 13 -0.758 -21.603 -1.873 1.00 0.00 O ATOM 205 CB ASP A 13 -0.495 -24.970 -2.274 1.00 0.00 C ATOM 206 CG ASP A 13 0.984 -25.012 -1.944 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.328 -25.393 -0.805 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.799 -24.662 -2.824 1.00 0.00 O ATOM 0 H ASP A 13 -2.796 -25.330 -1.472 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.695 -23.714 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.934 -25.950 -2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.622 -24.760 -3.336 1.00 0.00 H new ATOM 213 N LEU A 14 -2.086 -22.654 -3.352 1.00 0.00 N ATOM 214 CA LEU A 14 -2.256 -21.478 -4.198 1.00 0.00 C ATOM 215 C LEU A 14 -2.884 -20.328 -3.416 1.00 0.00 C ATOM 216 O LEU A 14 -2.529 -19.166 -3.608 1.00 0.00 O ATOM 217 CB LEU A 14 -3.120 -21.820 -5.414 1.00 0.00 C ATOM 218 CG LEU A 14 -2.552 -21.371 -6.762 1.00 0.00 C ATOM 219 CD1 LEU A 14 -2.785 -22.437 -7.823 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.173 -20.050 -7.188 1.00 0.00 C ATOM 0 H LEU A 14 -2.579 -23.485 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.270 -21.161 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.269 -22.899 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.102 -21.366 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.477 -21.227 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.374 -22.099 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.293 -23.362 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.855 -22.614 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.758 -19.746 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.253 -20.169 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.955 -19.287 -6.440 1.00 0.00 H new ATOM 232 N ARG A 15 -3.821 -20.663 -2.535 1.00 0.00 N ATOM 233 CA ARG A 15 -4.499 -19.659 -1.724 1.00 0.00 C ATOM 234 C ARG A 15 -3.510 -18.930 -0.818 1.00 0.00 C ATOM 235 O ARG A 15 -3.484 -17.701 -0.774 1.00 0.00 O ATOM 236 CB ARG A 15 -5.596 -20.311 -0.879 1.00 0.00 C ATOM 237 CG ARG A 15 -6.659 -19.335 -0.402 1.00 0.00 C ATOM 238 CD ARG A 15 -6.495 -19.007 1.073 1.00 0.00 C ATOM 239 NE ARG A 15 -7.781 -18.937 1.764 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.916 -19.010 3.086 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.849 -19.154 3.864 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.121 -18.937 3.634 1.00 0.00 N ATOM 0 H ARG A 15 -4.128 -21.621 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.952 -18.931 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.073 -21.098 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.139 -20.790 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.601 -18.418 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.648 -19.761 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.870 -19.765 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.975 -18.055 1.177 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.624 -18.826 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.919 -19.209 3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.960 -19.209 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.944 -18.825 3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.225 -18.993 4.647 1.00 0.00 H new ATOM 256 N SER A 16 -2.700 -19.698 -0.097 1.00 0.00 N ATOM 257 CA SER A 16 -1.711 -19.127 0.809 1.00 0.00 C ATOM 258 C SER A 16 -0.658 -18.333 0.040 1.00 0.00 C ATOM 259 O SER A 16 -0.088 -17.375 0.560 1.00 0.00 O ATOM 260 CB SER A 16 -1.037 -20.233 1.622 1.00 0.00 C ATOM 261 OG SER A 16 -1.782 -20.536 2.788 1.00 0.00 O ATOM 0 H SER A 16 -2.709 -20.718 -0.123 1.00 0.00 H new ATOM 0 HA SER A 16 -2.227 -18.448 1.487 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.935 -21.129 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.030 -19.922 1.901 1.00 0.00 H new ATOM 0 HG SER A 16 -1.331 -21.247 3.289 1.00 0.00 H new ATOM 267 N HIS A 17 -0.404 -18.740 -1.200 1.00 0.00 N ATOM 268 CA HIS A 17 0.582 -18.067 -2.037 1.00 0.00 C ATOM 269 C HIS A 17 0.059 -16.720 -2.527 1.00 0.00 C ATOM 270 O HIS A 17 0.831 -15.785 -2.743 1.00 0.00 O ATOM 271 CB HIS A 17 0.951 -18.947 -3.233 1.00 0.00 C ATOM 272 CG HIS A 17 2.106 -19.864 -2.968 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.145 -20.042 -3.857 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.383 -20.655 -1.905 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.010 -20.903 -3.353 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.571 -21.290 -2.169 1.00 0.00 N ATOM 0 H HIS A 17 -0.867 -19.532 -1.646 1.00 0.00 H new ATOM 0 HA HIS A 17 1.472 -17.891 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.083 -19.542 -3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.192 -18.308 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.781 -20.766 -1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.921 -21.234 -3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.039 -21.953 -1.551 1.00 0.00 H new ATOM 285 N LEU A 18 -1.254 -16.627 -2.703 1.00 0.00 N ATOM 286 CA LEU A 18 -1.878 -15.394 -3.170 1.00 0.00 C ATOM 287 C LEU A 18 -2.070 -14.408 -2.022 1.00 0.00 C ATOM 288 O LEU A 18 -1.991 -13.195 -2.213 1.00 0.00 O ATOM 289 CB LEU A 18 -3.226 -15.697 -3.828 1.00 0.00 C ATOM 290 CG LEU A 18 -3.150 -16.088 -5.305 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.488 -16.632 -5.781 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.726 -14.897 -6.150 1.00 0.00 C ATOM 0 H LEU A 18 -1.907 -17.391 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.215 -14.939 -3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.709 -16.505 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.866 -14.820 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.401 -16.872 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.416 -16.905 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.752 -17.512 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.256 -15.869 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.677 -15.193 -7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.452 -14.092 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.745 -14.551 -5.825 1.00 0.00 H new ATOM 304 N VAL A 19 -2.323 -14.937 -0.829 1.00 0.00 N ATOM 305 CA VAL A 19 -2.527 -14.102 0.349 1.00 0.00 C ATOM 306 C VAL A 19 -1.307 -13.228 0.623 1.00 0.00 C ATOM 307 O VAL A 19 -1.427 -12.134 1.174 1.00 0.00 O ATOM 308 CB VAL A 19 -2.825 -14.955 1.597 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.204 -14.067 2.774 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.925 -15.966 1.305 1.00 0.00 C ATOM 0 H VAL A 19 -2.392 -15.939 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.386 -13.465 0.140 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.922 -15.504 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.411 -14.687 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.381 -13.389 2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.092 -13.488 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.121 -16.559 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.834 -15.440 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.609 -16.624 0.495 1.00 0.00 H new ATOM 320 N HIS A 20 -0.133 -13.718 0.237 1.00 0.00 N ATOM 321 CA HIS A 20 1.107 -12.979 0.443 1.00 0.00 C ATOM 322 C HIS A 20 1.194 -11.782 -0.498 1.00 0.00 C ATOM 323 O HIS A 20 1.803 -10.764 -0.169 1.00 0.00 O ATOM 324 CB HIS A 20 2.312 -13.898 0.230 1.00 0.00 C ATOM 325 CG HIS A 20 2.775 -14.577 1.481 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.254 -15.775 1.924 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.718 -14.222 2.387 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.854 -16.126 3.047 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.746 -15.200 3.349 1.00 0.00 N ATOM 0 H HIS A 20 -0.015 -14.622 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 20 1.114 -12.610 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.055 -14.655 -0.511 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.135 -13.315 -0.183 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.520 -16.307 1.457 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.333 -13.335 2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.650 -17.018 3.621 1.00 0.00 H new ATOM 338 N LYS A 21 0.581 -11.909 -1.671 1.00 0.00 N ATOM 339 CA LYS A 21 0.590 -10.837 -2.659 1.00 0.00 C ATOM 340 C LYS A 21 -0.033 -9.566 -2.091 1.00 0.00 C ATOM 341 O LYS A 21 0.517 -8.475 -2.235 1.00 0.00 O ATOM 342 CB LYS A 21 -0.161 -11.269 -3.920 1.00 0.00 C ATOM 343 CG LYS A 21 0.455 -10.743 -5.206 1.00 0.00 C ATOM 344 CD LYS A 21 -0.125 -11.438 -6.426 1.00 0.00 C ATOM 345 CE LYS A 21 0.540 -10.960 -7.707 1.00 0.00 C ATOM 346 NZ LYS A 21 0.502 -11.998 -8.774 1.00 0.00 N ATOM 0 H LYS A 21 0.072 -12.744 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 21 1.628 -10.626 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.190 -12.358 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.193 -10.924 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.282 -9.669 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.535 -10.891 -5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.004 -12.516 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.197 -11.249 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.041 -10.058 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.576 -10.691 -7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.965 -11.633 -9.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.001 -12.850 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.487 -12.237 -8.991 1.00 0.00 H new ATOM 360 N LEU A 22 -1.186 -9.715 -1.446 1.00 0.00 N ATOM 361 CA LEU A 22 -1.885 -8.580 -0.857 1.00 0.00 C ATOM 362 C LEU A 22 -1.017 -7.893 0.194 1.00 0.00 C ATOM 363 O LEU A 22 -1.099 -6.679 0.383 1.00 0.00 O ATOM 364 CB LEU A 22 -3.204 -9.035 -0.229 1.00 0.00 C ATOM 365 CG LEU A 22 -4.348 -9.258 -1.218 1.00 0.00 C ATOM 366 CD1 LEU A 22 -4.310 -10.676 -1.766 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.687 -8.976 -0.555 1.00 0.00 C ATOM 0 H LEU A 22 -1.655 -10.611 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.098 -7.864 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.029 -9.963 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.517 -8.290 0.503 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.224 -8.565 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.132 -10.817 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.362 -10.843 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.409 -11.386 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.490 -9.140 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.819 -9.644 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.712 -7.942 -0.212 1.00 0.00 H new ATOM 379 N VAL A 23 -0.189 -8.679 0.875 1.00 0.00 N ATOM 380 CA VAL A 23 0.693 -8.147 1.906 1.00 0.00 C ATOM 381 C VAL A 23 1.825 -7.328 1.294 1.00 0.00 C ATOM 382 O VAL A 23 2.315 -6.378 1.903 1.00 0.00 O ATOM 383 CB VAL A 23 1.296 -9.276 2.764 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.061 -8.700 3.945 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.207 -10.227 3.237 1.00 0.00 C ATOM 0 H VAL A 23 -0.111 -9.686 0.731 1.00 0.00 H new ATOM 0 HA VAL A 23 0.085 -7.502 2.541 1.00 0.00 H new ATOM 0 HB VAL A 23 1.997 -9.840 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.479 -9.513 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.868 -8.064 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.385 -8.110 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.652 -11.018 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.520 -9.678 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.292 -10.667 2.374 1.00 0.00 H new ATOM 395 N GLN A 24 2.234 -7.704 0.087 1.00 0.00 N ATOM 396 CA GLN A 24 3.308 -7.005 -0.608 1.00 0.00 C ATOM 397 C GLN A 24 2.816 -5.681 -1.189 1.00 0.00 C ATOM 398 O GLN A 24 3.600 -4.756 -1.398 1.00 0.00 O ATOM 399 CB GLN A 24 3.879 -7.884 -1.722 1.00 0.00 C ATOM 400 CG GLN A 24 5.393 -7.804 -1.846 1.00 0.00 C ATOM 401 CD GLN A 24 5.841 -7.243 -3.182 1.00 0.00 C ATOM 402 OE1 GLN A 24 5.151 -6.210 -3.651 1.00 0.00 O flip ATOM 403 NE2 GLN A 24 6.797 -7.732 -3.784 1.00 0.00 N flip ATOM 0 H GLN A 24 1.838 -8.489 -0.430 1.00 0.00 H new ATOM 0 HA GLN A 24 4.094 -6.790 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.592 -8.920 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.429 -7.591 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.787 -7.180 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.818 -8.799 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.298 -8.526 -3.386 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.088 -7.343 -4.681 1.00 0.00 H new ATOM 412 N ALA A 25 1.514 -5.600 -1.450 1.00 0.00 N ATOM 413 CA ALA A 25 0.921 -4.391 -2.009 1.00 0.00 C ATOM 414 C ALA A 25 1.202 -3.178 -1.128 1.00 0.00 C ATOM 415 O ALA A 25 1.837 -2.216 -1.561 1.00 0.00 O ATOM 416 CB ALA A 25 -0.578 -4.575 -2.190 1.00 0.00 C ATOM 0 H ALA A 25 0.851 -6.357 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 25 1.377 -4.212 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.008 -3.665 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.763 -5.408 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.038 -4.784 -1.224 1.00 0.00 H new ATOM 422 N ILE A 26 0.723 -3.228 0.112 1.00 0.00 N ATOM 423 CA ILE A 26 0.923 -2.133 1.053 1.00 0.00 C ATOM 424 C ILE A 26 2.406 -1.908 1.331 1.00 0.00 C ATOM 425 O ILE A 26 2.838 -0.782 1.574 1.00 0.00 O ATOM 426 CB ILE A 26 0.192 -2.395 2.384 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.277 -2.738 2.128 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.304 -1.184 3.300 1.00 0.00 C ATOM 429 CD1 ILE A 26 -1.818 -3.807 3.052 1.00 0.00 C ATOM 0 H ILE A 26 0.194 -4.015 0.487 1.00 0.00 H new ATOM 0 HA ILE A 26 0.506 -1.238 0.590 1.00 0.00 H new ATOM 0 HB ILE A 26 0.665 -3.245 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.877 -1.835 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.390 -3.070 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.218 -1.386 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.355 -0.980 3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.145 -0.318 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.864 -3.999 2.813 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.242 -4.724 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.738 -3.469 4.085 1.00 0.00 H new ATOM 441 N PHE A 27 3.181 -2.987 1.293 1.00 0.00 N ATOM 442 CA PHE A 27 4.616 -2.905 1.542 1.00 0.00 C ATOM 443 C PHE A 27 5.380 -3.878 0.647 1.00 0.00 C ATOM 444 O PHE A 27 5.691 -4.998 1.055 1.00 0.00 O ATOM 445 CB PHE A 27 4.920 -3.201 3.011 1.00 0.00 C ATOM 446 CG PHE A 27 6.047 -2.378 3.570 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.205 -2.177 2.837 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.946 -1.806 4.828 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.243 -1.421 3.348 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.981 -1.049 5.345 1.00 0.00 C ATOM 451 CZ PHE A 27 8.130 -0.855 4.604 1.00 0.00 C ATOM 0 H PHE A 27 2.840 -3.927 1.092 1.00 0.00 H new ATOM 0 HA PHE A 27 4.941 -1.891 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.022 -3.022 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.166 -4.258 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.298 -2.616 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.049 -1.953 5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.141 -1.273 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.891 -0.610 6.328 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.939 -0.262 5.005 1.00 0.00 H new ATOM 461 N PRO A 28 5.696 -3.462 -0.592 1.00 0.00 N ATOM 462 CA PRO A 28 6.428 -4.303 -1.544 1.00 0.00 C ATOM 463 C PRO A 28 7.888 -4.492 -1.149 1.00 0.00 C ATOM 464 O PRO A 28 8.407 -5.607 -1.169 1.00 0.00 O ATOM 465 CB PRO A 28 6.324 -3.525 -2.857 1.00 0.00 C ATOM 466 CG PRO A 28 6.145 -2.105 -2.444 1.00 0.00 C ATOM 467 CD PRO A 28 5.363 -2.142 -1.160 1.00 0.00 C ATOM 0 HA PRO A 28 6.017 -5.311 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.221 -3.651 -3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.483 -3.872 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.109 -1.616 -2.300 1.00 0.00 H new ATOM 0 HG3 PRO A 28 5.612 -1.540 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.653 -1.332 -0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.293 -2.040 -1.339 1.00 0.00 H new ATOM 475 N THR A 29 8.546 -3.395 -0.790 1.00 0.00 N ATOM 476 CA THR A 29 9.948 -3.441 -0.389 1.00 0.00 C ATOM 477 C THR A 29 10.099 -4.046 1.004 1.00 0.00 C ATOM 478 O THR A 29 9.210 -3.919 1.846 1.00 0.00 O ATOM 479 CB THR A 29 10.569 -2.041 -0.420 1.00 0.00 C ATOM 480 OG1 THR A 29 11.774 -2.007 0.326 1.00 0.00 O ATOM 481 CG2 THR A 29 9.661 -0.963 0.133 1.00 0.00 C ATOM 0 H THR A 29 8.131 -2.463 -0.768 1.00 0.00 H new ATOM 0 HA THR A 29 10.475 -4.075 -1.102 1.00 0.00 H new ATOM 0 HB THR A 29 10.749 -1.835 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.534 -1.909 -0.285 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.166 0.001 0.079 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.743 -0.925 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.419 -1.189 1.172 1.00 0.00 H new ATOM 489 N PRO A 30 11.236 -4.715 1.264 1.00 0.00 N ATOM 490 CA PRO A 30 11.506 -5.341 2.563 1.00 0.00 C ATOM 491 C PRO A 30 11.594 -4.318 3.690 1.00 0.00 C ATOM 492 O PRO A 30 12.037 -3.188 3.483 1.00 0.00 O ATOM 493 CB PRO A 30 12.861 -6.029 2.359 1.00 0.00 C ATOM 494 CG PRO A 30 13.483 -5.323 1.205 1.00 0.00 C ATOM 495 CD PRO A 30 12.345 -4.909 0.316 1.00 0.00 C ATOM 0 HA PRO A 30 10.709 -6.024 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.482 -5.950 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.736 -7.092 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.054 -4.456 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.176 -5.976 0.674 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.573 -3.994 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.113 -5.674 -0.425 1.00 0.00 H new ATOM 503 N ASP A 31 11.167 -4.721 4.882 1.00 0.00 N ATOM 504 CA ASP A 31 11.197 -3.839 6.043 1.00 0.00 C ATOM 505 C ASP A 31 11.288 -4.649 7.334 1.00 0.00 C ATOM 506 O ASP A 31 10.291 -4.836 8.032 1.00 0.00 O ATOM 507 CB ASP A 31 9.951 -2.946 6.072 1.00 0.00 C ATOM 508 CG ASP A 31 8.715 -3.646 5.535 1.00 0.00 C ATOM 509 OD1 ASP A 31 8.725 -4.039 4.349 1.00 0.00 O ATOM 510 OD2 ASP A 31 7.740 -3.799 6.299 1.00 0.00 O ATOM 0 H ASP A 31 10.796 -5.653 5.069 1.00 0.00 H new ATOM 0 HA ASP A 31 12.082 -3.207 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.764 -2.623 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.139 -2.048 5.484 1.00 0.00 H new ATOM 515 N PRO A 32 12.493 -5.142 7.672 1.00 0.00 N ATOM 516 CA PRO A 32 12.711 -5.933 8.887 1.00 0.00 C ATOM 517 C PRO A 32 12.322 -5.170 10.149 1.00 0.00 C ATOM 518 O PRO A 32 12.061 -5.769 11.192 1.00 0.00 O ATOM 519 CB PRO A 32 14.219 -6.220 8.876 1.00 0.00 C ATOM 520 CG PRO A 32 14.801 -5.230 7.925 1.00 0.00 C ATOM 521 CD PRO A 32 13.735 -4.965 6.903 1.00 0.00 C ATOM 0 HA PRO A 32 12.099 -6.835 8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.648 -6.108 9.872 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.423 -7.241 8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.084 -4.313 8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.703 -5.623 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.814 -3.960 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.795 -5.661 6.066 1.00 0.00 H new ATOM 529 N ALA A 33 12.280 -3.846 10.045 1.00 0.00 N ATOM 530 CA ALA A 33 11.919 -3.003 11.176 1.00 0.00 C ATOM 531 C ALA A 33 10.407 -2.975 11.379 1.00 0.00 C ATOM 532 O ALA A 33 9.924 -2.696 12.476 1.00 0.00 O ATOM 533 CB ALA A 33 12.452 -1.592 10.976 1.00 0.00 C ATOM 0 H ALA A 33 12.492 -3.335 9.188 1.00 0.00 H new ATOM 0 HA ALA A 33 12.373 -3.427 12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.174 -0.974 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.538 -1.622 10.888 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.026 -1.168 10.067 1.00 0.00 H new ATOM 539 N ALA A 34 9.662 -3.262 10.314 1.00 0.00 N ATOM 540 CA ALA A 34 8.207 -3.268 10.381 1.00 0.00 C ATOM 541 C ALA A 34 7.699 -4.429 11.231 1.00 0.00 C ATOM 542 O ALA A 34 6.635 -4.344 11.842 1.00 0.00 O ATOM 543 CB ALA A 34 7.613 -3.337 8.983 1.00 0.00 C ATOM 0 H ALA A 34 10.043 -3.493 9.397 1.00 0.00 H new ATOM 0 HA ALA A 34 7.888 -2.339 10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.525 -3.341 9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.938 -2.471 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.949 -4.249 8.489 1.00 0.00 H new ATOM 549 N LEU A 35 8.470 -5.512 11.267 1.00 0.00 N ATOM 550 CA LEU A 35 8.097 -6.689 12.044 1.00 0.00 C ATOM 551 C LEU A 35 7.907 -6.331 13.515 1.00 0.00 C ATOM 552 O LEU A 35 7.034 -6.874 14.190 1.00 0.00 O ATOM 553 CB LEU A 35 9.163 -7.780 11.905 1.00 0.00 C ATOM 554 CG LEU A 35 9.695 -7.994 10.487 1.00 0.00 C ATOM 555 CD1 LEU A 35 10.594 -9.220 10.435 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.546 -8.134 9.499 1.00 0.00 C ATOM 0 H LEU A 35 9.355 -5.599 10.768 1.00 0.00 H new ATOM 0 HA LEU A 35 7.151 -7.065 11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.001 -7.532 12.557 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.746 -8.721 12.265 1.00 0.00 H new ATOM 0 HG LEU A 35 10.284 -7.121 10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.964 -9.357 9.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.437 -9.082 11.112 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.027 -10.100 10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.945 -8.285 8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.929 -8.989 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.940 -7.228 9.515 1.00 0.00 H new ATOM 568 N LYS A 36 8.732 -5.409 14.002 1.00 0.00 N ATOM 569 CA LYS A 36 8.655 -4.973 15.391 1.00 0.00 C ATOM 570 C LYS A 36 7.570 -3.916 15.570 1.00 0.00 C ATOM 571 O LYS A 36 7.021 -3.754 16.659 1.00 0.00 O ATOM 572 CB LYS A 36 10.005 -4.419 15.849 1.00 0.00 C ATOM 573 CG LYS A 36 10.198 -4.452 17.356 1.00 0.00 C ATOM 574 CD LYS A 36 11.001 -5.669 17.788 1.00 0.00 C ATOM 575 CE LYS A 36 12.491 -5.455 17.578 1.00 0.00 C ATOM 576 NZ LYS A 36 13.302 -6.517 18.235 1.00 0.00 N ATOM 0 H LYS A 36 9.461 -4.950 13.455 1.00 0.00 H new ATOM 0 HA LYS A 36 8.399 -5.837 16.004 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.803 -4.993 15.377 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.103 -3.391 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.709 -3.545 17.679 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.226 -4.463 17.848 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.807 -5.880 18.840 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.674 -6.542 17.222 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.709 -5.440 16.510 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.778 -4.481 17.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.312 -6.335 18.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.114 -6.515 19.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.047 -7.444 17.838 1.00 0.00 H new ATOM 590 N ASP A 37 7.266 -3.196 14.493 1.00 0.00 N ATOM 591 CA ASP A 37 6.246 -2.155 14.533 1.00 0.00 C ATOM 592 C ASP A 37 4.856 -2.759 14.704 1.00 0.00 C ATOM 593 O ASP A 37 4.543 -3.795 14.119 1.00 0.00 O ATOM 594 CB ASP A 37 6.296 -1.313 13.257 1.00 0.00 C ATOM 595 CG ASP A 37 7.200 -0.104 13.396 1.00 0.00 C ATOM 596 OD1 ASP A 37 6.750 0.911 13.965 1.00 0.00 O ATOM 597 OD2 ASP A 37 8.358 -0.173 12.933 1.00 0.00 O ATOM 0 H ASP A 37 7.712 -3.315 13.583 1.00 0.00 H new ATOM 0 HA ASP A 37 6.451 -1.515 15.391 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.646 -1.932 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.289 -0.983 13.004 1.00 0.00 H new ATOM 602 N ARG A 38 4.027 -2.103 15.510 1.00 0.00 N ATOM 603 CA ARG A 38 2.670 -2.575 15.759 1.00 0.00 C ATOM 604 C ARG A 38 1.776 -2.342 14.544 1.00 0.00 C ATOM 605 O ARG A 38 0.785 -3.045 14.348 1.00 0.00 O ATOM 606 CB ARG A 38 2.080 -1.871 16.982 1.00 0.00 C ATOM 607 CG ARG A 38 2.822 -2.171 18.274 1.00 0.00 C ATOM 608 CD ARG A 38 2.742 -3.646 18.633 1.00 0.00 C ATOM 609 NE ARG A 38 3.883 -4.398 18.116 1.00 0.00 N ATOM 610 CZ ARG A 38 4.189 -5.636 18.497 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.442 -6.265 19.397 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.245 -6.247 17.978 1.00 0.00 N ATOM 0 H ARG A 38 4.271 -1.243 16.002 1.00 0.00 H new ATOM 0 HA ARG A 38 2.717 -3.647 15.950 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.088 -0.795 16.810 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.037 -2.168 17.094 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.866 -1.877 18.172 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.401 -1.575 19.084 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.698 -3.753 19.717 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.819 -4.067 18.233 1.00 0.00 H new ATOM 0 HE ARG A 38 4.480 -3.948 17.422 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.629 -5.799 19.800 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.681 -7.214 19.685 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.823 -5.768 17.287 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.480 -7.196 18.270 1.00 0.00 H new ATOM 626 N ARG A 39 2.132 -1.352 13.730 1.00 0.00 N ATOM 627 CA ARG A 39 1.360 -1.027 12.535 1.00 0.00 C ATOM 628 C ARG A 39 1.225 -2.243 11.624 1.00 0.00 C ATOM 629 O ARG A 39 0.168 -2.475 11.036 1.00 0.00 O ATOM 630 CB ARG A 39 2.020 0.125 11.775 1.00 0.00 C ATOM 631 CG ARG A 39 1.258 0.543 10.526 1.00 0.00 C ATOM 632 CD ARG A 39 2.144 0.509 9.291 1.00 0.00 C ATOM 633 NE ARG A 39 2.790 -0.790 9.113 1.00 0.00 N ATOM 634 CZ ARG A 39 3.274 -1.226 7.954 1.00 0.00 C ATOM 635 NH1 ARG A 39 3.190 -0.472 6.864 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.846 -2.421 7.883 1.00 0.00 N ATOM 0 H ARG A 39 2.950 -0.761 13.876 1.00 0.00 H new ATOM 0 HA ARG A 39 0.362 -0.722 12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.111 0.984 12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.031 -0.168 11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.405 -0.120 10.381 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.860 1.549 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.546 0.739 8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.906 1.284 9.371 1.00 0.00 H new ATOM 0 HE ARG A 39 2.875 -1.399 9.927 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.752 0.448 6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.563 -0.813 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.914 -3.004 8.717 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.218 -2.757 6.994 1.00 0.00 H new ATOM 650 N MET A 40 2.301 -3.015 11.509 1.00 0.00 N ATOM 651 CA MET A 40 2.301 -4.207 10.667 1.00 0.00 C ATOM 652 C MET A 40 1.208 -5.179 11.099 1.00 0.00 C ATOM 653 O MET A 40 0.678 -5.934 10.282 1.00 0.00 O ATOM 654 CB MET A 40 3.666 -4.897 10.724 1.00 0.00 C ATOM 655 CG MET A 40 3.755 -6.141 9.855 1.00 0.00 C ATOM 656 SD MET A 40 3.344 -5.815 8.130 1.00 0.00 S ATOM 657 CE MET A 40 4.903 -5.173 7.526 1.00 0.00 C ATOM 0 H MET A 40 3.184 -2.837 11.988 1.00 0.00 H new ATOM 0 HA MET A 40 2.101 -3.897 9.641 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.435 -4.190 10.412 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.884 -5.169 11.757 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.764 -6.548 9.913 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.081 -6.902 10.247 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.744 -4.666 6.574 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.310 -4.467 8.249 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.605 -5.995 7.386 1.00 0.00 H new ATOM 667 N GLU A 41 0.871 -5.156 12.385 1.00 0.00 N ATOM 668 CA GLU A 41 -0.163 -6.035 12.919 1.00 0.00 C ATOM 669 C GLU A 41 -1.480 -5.837 12.176 1.00 0.00 C ATOM 670 O GLU A 41 -2.274 -6.768 12.039 1.00 0.00 O ATOM 671 CB GLU A 41 -0.363 -5.772 14.413 1.00 0.00 C ATOM 672 CG GLU A 41 -0.865 -6.983 15.182 1.00 0.00 C ATOM 673 CD GLU A 41 0.194 -8.058 15.333 1.00 0.00 C ATOM 674 OE1 GLU A 41 1.165 -8.049 14.547 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.052 -8.908 16.236 1.00 0.00 O ATOM 0 H GLU A 41 1.299 -4.539 13.076 1.00 0.00 H new ATOM 0 HA GLU A 41 0.162 -7.066 12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.582 -5.444 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.072 -4.953 14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.201 -6.668 16.170 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.731 -7.401 14.669 1.00 0.00 H new ATOM 682 N ASN A 42 -1.703 -4.618 11.694 1.00 0.00 N ATOM 683 CA ASN A 42 -2.920 -4.297 10.960 1.00 0.00 C ATOM 684 C ASN A 42 -2.823 -4.772 9.513 1.00 0.00 C ATOM 685 O ASN A 42 -3.831 -5.106 8.890 1.00 0.00 O ATOM 686 CB ASN A 42 -3.183 -2.791 10.998 1.00 0.00 C ATOM 687 CG ASN A 42 -3.766 -2.340 12.323 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.068 -1.761 13.157 1.00 0.00 O ATOM 689 ND2 ASN A 42 -5.052 -2.602 12.523 1.00 0.00 N ATOM 0 H ASN A 42 -1.056 -3.837 11.799 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.751 -4.815 11.439 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.251 -2.257 10.814 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.868 -2.524 10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.500 -2.321 13.395 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.592 -3.084 11.804 1.00 0.00 H new ATOM 696 N LEU A 43 -1.603 -4.797 8.983 1.00 0.00 N ATOM 697 CA LEU A 43 -1.375 -5.229 7.610 1.00 0.00 C ATOM 698 C LEU A 43 -1.892 -6.649 7.392 1.00 0.00 C ATOM 699 O LEU A 43 -2.600 -6.920 6.422 1.00 0.00 O ATOM 700 CB LEU A 43 0.116 -5.153 7.272 1.00 0.00 C ATOM 701 CG LEU A 43 0.458 -4.289 6.056 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.710 -3.466 6.318 1.00 0.00 C ATOM 703 CD2 LEU A 43 0.636 -5.157 4.819 1.00 0.00 C ATOM 0 H LEU A 43 -0.758 -4.523 9.485 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.924 -4.560 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.651 -4.763 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.486 -6.163 7.097 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.370 -3.603 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.936 -2.859 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.545 -2.816 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.547 -4.133 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.879 -4.526 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.445 -5.868 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.288 -5.699 4.619 1.00 0.00 H new ATOM 715 N VAL A 44 -1.534 -7.550 8.301 1.00 0.00 N ATOM 716 CA VAL A 44 -1.964 -8.940 8.207 1.00 0.00 C ATOM 717 C VAL A 44 -3.484 -9.045 8.225 1.00 0.00 C ATOM 718 O VAL A 44 -4.092 -9.561 7.287 1.00 0.00 O ATOM 719 CB VAL A 44 -1.387 -9.784 9.359 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.692 -11.258 9.146 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.111 -9.556 9.491 1.00 0.00 C ATOM 0 H VAL A 44 -0.948 -7.343 9.110 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.587 -9.327 7.260 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.862 -9.469 10.288 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.276 -11.838 9.970 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.771 -11.404 9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.247 -11.590 8.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.500 -10.161 10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.606 -9.841 8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.302 -8.502 9.695 1.00 0.00 H new ATOM 731 N ALA A 45 -4.093 -8.551 9.299 1.00 0.00 N ATOM 732 CA ALA A 45 -5.544 -8.588 9.439 1.00 0.00 C ATOM 733 C ALA A 45 -6.225 -7.870 8.279 1.00 0.00 C ATOM 734 O ALA A 45 -7.243 -8.329 7.763 1.00 0.00 O ATOM 735 CB ALA A 45 -5.962 -7.969 10.764 1.00 0.00 C ATOM 0 H ALA A 45 -3.604 -8.121 10.084 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.860 -9.631 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.048 -8.003 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.511 -8.527 11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.627 -6.932 10.803 1.00 0.00 H new ATOM 741 N TYR A 46 -5.653 -6.741 7.873 1.00 0.00 N ATOM 742 CA TYR A 46 -6.203 -5.959 6.770 1.00 0.00 C ATOM 743 C TYR A 46 -6.210 -6.774 5.481 1.00 0.00 C ATOM 744 O TYR A 46 -7.251 -6.941 4.847 1.00 0.00 O ATOM 745 CB TYR A 46 -5.392 -4.676 6.574 1.00 0.00 C ATOM 746 CG TYR A 46 -5.897 -3.805 5.445 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.614 -4.118 4.122 1.00 0.00 C ATOM 748 CD2 TYR A 46 -6.655 -2.670 5.704 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.072 -3.324 3.088 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.118 -1.872 4.675 1.00 0.00 C ATOM 751 CZ TYR A 46 -6.823 -2.203 3.369 1.00 0.00 C ATOM 752 OH TYR A 46 -7.282 -1.411 2.342 1.00 0.00 O ATOM 0 H TYR A 46 -4.810 -6.347 8.290 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.231 -5.695 7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.408 -4.101 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.352 -4.940 6.381 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.027 -4.996 3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.886 -2.407 6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.843 -3.581 2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.708 -0.994 4.892 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.981 -0.812 2.678 1.00 0.00 H new ATOM 762 N ALA A 47 -5.041 -7.282 5.103 1.00 0.00 N ATOM 763 CA ALA A 47 -4.913 -8.081 3.891 1.00 0.00 C ATOM 764 C ALA A 47 -5.776 -9.335 3.971 1.00 0.00 C ATOM 765 O ALA A 47 -6.291 -9.812 2.960 1.00 0.00 O ATOM 766 CB ALA A 47 -3.457 -8.455 3.659 1.00 0.00 C ATOM 0 H ALA A 47 -4.170 -7.154 5.618 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.262 -7.483 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.375 -9.052 2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.861 -7.549 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.090 -9.033 4.507 1.00 0.00 H new ATOM 772 N LYS A 48 -5.931 -9.864 5.180 1.00 0.00 N ATOM 773 CA LYS A 48 -6.734 -11.062 5.394 1.00 0.00 C ATOM 774 C LYS A 48 -8.195 -10.807 5.038 1.00 0.00 C ATOM 775 O LYS A 48 -8.893 -11.700 4.557 1.00 0.00 O ATOM 776 CB LYS A 48 -6.624 -11.521 6.849 1.00 0.00 C ATOM 777 CG LYS A 48 -6.535 -13.030 7.007 1.00 0.00 C ATOM 778 CD LYS A 48 -5.681 -13.415 8.204 1.00 0.00 C ATOM 779 CE LYS A 48 -4.240 -13.677 7.800 1.00 0.00 C ATOM 780 NZ LYS A 48 -4.121 -14.862 6.904 1.00 0.00 N ATOM 0 H LYS A 48 -5.511 -9.482 6.027 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.352 -11.848 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.743 -11.065 7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.490 -11.157 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.536 -13.444 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.113 -13.467 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.712 -12.617 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.095 -14.306 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.839 -12.798 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.635 -13.835 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.177 -15.285 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.845 -15.564 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.258 -14.566 5.917 1.00 0.00 H new ATOM 794 N LYS A 49 -8.650 -9.581 5.277 1.00 0.00 N ATOM 795 CA LYS A 49 -10.028 -9.207 4.980 1.00 0.00 C ATOM 796 C LYS A 49 -10.250 -9.095 3.476 1.00 0.00 C ATOM 797 O LYS A 49 -11.256 -9.570 2.949 1.00 0.00 O ATOM 798 CB LYS A 49 -10.375 -7.880 5.659 1.00 0.00 C ATOM 799 CG LYS A 49 -11.869 -7.610 5.738 1.00 0.00 C ATOM 800 CD LYS A 49 -12.171 -6.123 5.649 1.00 0.00 C ATOM 801 CE LYS A 49 -11.820 -5.565 4.279 1.00 0.00 C ATOM 802 NZ LYS A 49 -12.521 -4.280 4.007 1.00 0.00 N ATOM 0 H LYS A 49 -8.085 -8.831 5.675 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.682 -9.988 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.960 -7.878 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.895 -7.066 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.378 -8.135 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.263 -8.007 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.228 -5.952 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.609 -5.590 6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.743 -5.412 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.085 -6.293 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.255 -3.932 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.549 -4.431 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.249 -3.578 4.724 1.00 0.00 H new ATOM 816 N VAL A 50 -9.303 -8.464 2.788 1.00 0.00 N ATOM 817 CA VAL A 50 -9.396 -8.290 1.345 1.00 0.00 C ATOM 818 C VAL A 50 -9.244 -9.623 0.622 1.00 0.00 C ATOM 819 O VAL A 50 -10.110 -10.014 -0.160 1.00 0.00 O ATOM 820 CB VAL A 50 -8.328 -7.306 0.825 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.542 -7.012 -0.652 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.346 -6.024 1.642 1.00 0.00 C ATOM 0 H VAL A 50 -8.463 -8.065 3.208 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.384 -7.879 1.138 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.347 -7.769 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.778 -6.316 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.474 -7.939 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.528 -6.570 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.587 -5.340 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.327 -5.556 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.137 -6.255 2.686 1.00 0.00 H new ATOM 832 N GLU A 51 -8.146 -10.326 0.892 1.00 0.00 N ATOM 833 CA GLU A 51 -7.905 -11.623 0.265 1.00 0.00 C ATOM 834 C GLU A 51 -9.131 -12.511 0.420 1.00 0.00 C ATOM 835 O GLU A 51 -9.570 -13.155 -0.532 1.00 0.00 O ATOM 836 CB GLU A 51 -6.677 -12.299 0.877 1.00 0.00 C ATOM 837 CG GLU A 51 -6.778 -12.502 2.381 1.00 0.00 C ATOM 838 CD GLU A 51 -7.347 -13.858 2.751 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.941 -14.515 1.869 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.200 -14.264 3.923 1.00 0.00 O ATOM 0 H GLU A 51 -7.415 -10.022 1.535 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.714 -11.466 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.529 -13.267 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.795 -11.697 0.659 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.789 -12.394 2.825 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.406 -11.720 2.808 1.00 0.00 H new ATOM 847 N GLY A 52 -9.702 -12.515 1.622 1.00 0.00 N ATOM 848 CA GLY A 52 -10.895 -13.298 1.864 1.00 0.00 C ATOM 849 C GLY A 52 -12.035 -12.816 0.996 1.00 0.00 C ATOM 850 O GLY A 52 -12.890 -13.598 0.580 1.00 0.00 O ATOM 0 H GLY A 52 -9.359 -11.991 2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.694 -14.349 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.176 -13.227 2.915 1.00 0.00 H new ATOM 854 N ASP A 53 -12.026 -11.517 0.706 1.00 0.00 N ATOM 855 CA ASP A 53 -13.044 -10.908 -0.138 1.00 0.00 C ATOM 856 C ASP A 53 -12.826 -11.309 -1.593 1.00 0.00 C ATOM 857 O ASP A 53 -13.772 -11.389 -2.375 1.00 0.00 O ATOM 858 CB ASP A 53 -13.004 -9.384 -0.004 1.00 0.00 C ATOM 859 CG ASP A 53 -14.332 -8.740 -0.347 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.794 -8.906 -1.496 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.912 -8.068 0.532 1.00 0.00 O ATOM 0 H ASP A 53 -11.319 -10.865 1.047 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.023 -11.263 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.727 -9.119 1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.229 -8.984 -0.659 1.00 0.00 H new ATOM 866 N MET A 54 -11.566 -11.564 -1.944 1.00 0.00 N ATOM 867 CA MET A 54 -11.214 -11.962 -3.299 1.00 0.00 C ATOM 868 C MET A 54 -11.783 -13.341 -3.621 1.00 0.00 C ATOM 869 O MET A 54 -12.168 -13.616 -4.758 1.00 0.00 O ATOM 870 CB MET A 54 -9.694 -11.971 -3.473 1.00 0.00 C ATOM 871 CG MET A 54 -9.140 -10.670 -4.032 1.00 0.00 C ATOM 872 SD MET A 54 -8.955 -9.395 -2.772 1.00 0.00 S ATOM 873 CE MET A 54 -10.176 -8.202 -3.316 1.00 0.00 C ATOM 0 H MET A 54 -10.774 -11.501 -1.305 1.00 0.00 H new ATOM 0 HA MET A 54 -11.646 -11.237 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.227 -12.171 -2.509 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.417 -12.790 -4.137 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.172 -10.861 -4.495 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.802 -10.306 -4.817 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.596 -7.690 -2.450 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.704 -7.473 -3.975 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.972 -8.716 -3.855 1.00 0.00 H new ATOM 883 N TYR A 55 -11.832 -14.204 -2.610 1.00 0.00 N ATOM 884 CA TYR A 55 -12.353 -15.556 -2.779 1.00 0.00 C ATOM 885 C TYR A 55 -13.880 -15.553 -2.848 1.00 0.00 C ATOM 886 O TYR A 55 -14.493 -16.475 -3.377 1.00 0.00 O ATOM 887 CB TYR A 55 -11.877 -16.460 -1.642 1.00 0.00 C ATOM 888 CG TYR A 55 -12.141 -17.930 -1.889 1.00 0.00 C ATOM 889 CD1 TYR A 55 -13.365 -18.495 -1.559 1.00 0.00 C ATOM 890 CD2 TYR A 55 -11.169 -18.751 -2.453 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.616 -19.833 -1.781 1.00 0.00 C ATOM 892 CE2 TYR A 55 -11.413 -20.093 -2.679 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.638 -20.628 -2.341 1.00 0.00 C ATOM 894 OH TYR A 55 -12.884 -21.962 -2.563 1.00 0.00 O ATOM 0 H TYR A 55 -11.517 -13.990 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.970 -15.947 -3.722 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.808 -16.311 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -12.372 -16.160 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -14.134 -17.876 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -10.209 -18.333 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.574 -20.256 -1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.649 -20.718 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.178 -22.091 -3.489 1.00 0.00 H new ATOM 904 N GLU A 56 -14.494 -14.521 -2.295 1.00 0.00 N ATOM 905 CA GLU A 56 -15.946 -14.414 -2.303 1.00 0.00 C ATOM 906 C GLU A 56 -16.435 -13.659 -3.533 1.00 0.00 C ATOM 907 O GLU A 56 -17.491 -13.966 -4.085 1.00 0.00 O ATOM 908 CB GLU A 56 -16.413 -13.746 -1.020 1.00 0.00 C ATOM 909 CG GLU A 56 -15.769 -14.365 0.204 1.00 0.00 C ATOM 910 CD GLU A 56 -16.782 -14.810 1.241 1.00 0.00 C ATOM 911 OE1 GLU A 56 -17.591 -15.710 0.934 1.00 0.00 O ATOM 912 OE2 GLU A 56 -16.767 -14.256 2.361 1.00 0.00 O ATOM 0 H GLU A 56 -14.013 -13.747 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.375 -15.415 -2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.176 -12.683 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.497 -13.828 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -15.169 -15.222 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.088 -13.643 0.655 1.00 0.00 H new ATOM 919 N SER A 57 -15.657 -12.669 -3.958 1.00 0.00 N ATOM 920 CA SER A 57 -16.003 -11.868 -5.126 1.00 0.00 C ATOM 921 C SER A 57 -15.932 -12.709 -6.396 1.00 0.00 C ATOM 922 O SER A 57 -16.885 -12.763 -7.173 1.00 0.00 O ATOM 923 CB SER A 57 -15.062 -10.668 -5.240 1.00 0.00 C ATOM 924 OG SER A 57 -13.748 -11.012 -4.837 1.00 0.00 O ATOM 0 H SER A 57 -14.781 -12.402 -3.510 1.00 0.00 H new ATOM 0 HA SER A 57 -17.025 -11.509 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.048 -10.309 -6.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.433 -9.850 -4.622 1.00 0.00 H new ATOM 0 HG SER A 57 -13.614 -10.751 -3.902 1.00 0.00 H new ATOM 930 N ALA A 58 -14.797 -13.371 -6.593 1.00 0.00 N ATOM 931 CA ALA A 58 -14.594 -14.219 -7.758 1.00 0.00 C ATOM 932 C ALA A 58 -15.501 -15.420 -7.724 1.00 0.00 C ATOM 933 O ALA A 58 -15.503 -16.184 -6.766 1.00 0.00 O ATOM 934 CB ALA A 58 -13.150 -14.680 -7.841 1.00 0.00 C ATOM 0 H ALA A 58 -14.001 -13.335 -5.956 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.834 -13.624 -8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.020 -15.313 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.495 -13.812 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.897 -15.247 -6.945 1.00 0.00 H new ATOM 940 N ASN A 59 -16.230 -15.611 -8.804 1.00 0.00 N ATOM 941 CA ASN A 59 -17.092 -16.765 -8.922 1.00 0.00 C ATOM 942 C ASN A 59 -16.322 -17.852 -9.651 1.00 0.00 C ATOM 943 O ASN A 59 -16.857 -18.911 -9.966 1.00 0.00 O ATOM 944 CB ASN A 59 -18.382 -16.435 -9.674 1.00 0.00 C ATOM 945 CG ASN A 59 -19.069 -15.197 -9.130 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.518 -14.483 -8.294 1.00 0.00 O ATOM 947 ND2 ASN A 59 -20.282 -14.937 -9.605 1.00 0.00 N ATOM 0 H ASN A 59 -16.242 -14.984 -9.609 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.383 -17.099 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.156 -16.287 -10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -19.064 -17.283 -9.610 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.794 -14.118 -9.277 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.702 -15.556 -10.298 1.00 0.00 H new ATOM 954 N SER A 60 -15.047 -17.567 -9.919 1.00 0.00 N ATOM 955 CA SER A 60 -14.187 -18.515 -10.615 1.00 0.00 C ATOM 956 C SER A 60 -12.724 -18.298 -10.248 1.00 0.00 C ATOM 957 O SER A 60 -12.361 -17.266 -9.683 1.00 0.00 O ATOM 958 CB SER A 60 -14.371 -18.387 -12.127 1.00 0.00 C ATOM 959 OG SER A 60 -13.692 -17.249 -12.630 1.00 0.00 O ATOM 0 H SER A 60 -14.592 -16.690 -9.665 1.00 0.00 H new ATOM 0 HA SER A 60 -14.473 -19.520 -10.305 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.996 -19.285 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.433 -18.314 -12.362 1.00 0.00 H new ATOM 0 HG SER A 60 -13.824 -17.191 -13.599 1.00 0.00 H new ATOM 965 N ARG A 61 -11.890 -19.278 -10.574 1.00 0.00 N ATOM 966 CA ARG A 61 -10.466 -19.195 -10.281 1.00 0.00 C ATOM 967 C ARG A 61 -9.809 -18.078 -11.084 1.00 0.00 C ATOM 968 O ARG A 61 -9.009 -17.307 -10.554 1.00 0.00 O ATOM 969 CB ARG A 61 -9.784 -20.530 -10.587 1.00 0.00 C ATOM 970 CG ARG A 61 -8.824 -20.982 -9.501 1.00 0.00 C ATOM 971 CD ARG A 61 -7.522 -20.197 -9.548 1.00 0.00 C ATOM 972 NE ARG A 61 -6.722 -20.536 -10.722 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.432 -20.232 -10.853 1.00 0.00 C ATOM 974 NH1 ARG A 61 -4.794 -19.587 -9.886 1.00 0.00 N ATOM 975 NH2 ARG A 61 -4.780 -20.575 -11.955 1.00 0.00 N ATOM 0 H ARG A 61 -12.176 -20.139 -11.041 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.350 -18.970 -9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.547 -21.295 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.241 -20.444 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.292 -20.856 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.614 -22.045 -9.619 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.742 -19.129 -9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.945 -20.398 -8.645 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.178 -21.035 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.291 -19.321 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.806 -19.357 -9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.266 -21.071 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.792 -20.343 -12.056 1.00 0.00 H new ATOM 989 N ASP A 62 -10.154 -17.995 -12.365 1.00 0.00 N ATOM 990 CA ASP A 62 -9.600 -16.969 -13.243 1.00 0.00 C ATOM 991 C ASP A 62 -9.884 -15.576 -12.690 1.00 0.00 C ATOM 992 O ASP A 62 -8.969 -14.769 -12.516 1.00 0.00 O ATOM 993 CB ASP A 62 -10.182 -17.101 -14.650 1.00 0.00 C ATOM 994 CG ASP A 62 -9.950 -18.477 -15.246 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.775 -18.884 -15.357 1.00 0.00 O ATOM 996 OD2 ASP A 62 -10.944 -19.146 -15.599 1.00 0.00 O ATOM 0 H ASP A 62 -10.815 -18.626 -12.819 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.520 -17.110 -13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.252 -16.898 -14.618 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.734 -16.347 -15.298 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.154 -15.302 -12.411 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.555 -14.008 -11.871 1.00 0.00 C ATOM 1003 C GLU A 63 -10.845 -13.740 -10.549 1.00 0.00 C ATOM 1004 O GLU A 63 -10.439 -12.613 -10.266 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.070 -13.961 -11.671 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.600 -12.569 -11.367 1.00 0.00 C ATOM 1007 CD GLU A 63 -13.735 -11.713 -12.611 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -12.984 -11.951 -13.581 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -14.591 -10.804 -12.617 1.00 0.00 O ATOM 0 H GLU A 63 -11.923 -15.958 -12.550 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.271 -13.234 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.559 -14.339 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.341 -14.630 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.572 -12.652 -10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.931 -12.076 -10.661 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.693 -14.787 -9.746 1.00 0.00 N ATOM 1017 CA TYR A 64 -10.026 -14.674 -8.456 1.00 0.00 C ATOM 1018 C TYR A 64 -8.583 -14.211 -8.636 1.00 0.00 C ATOM 1019 O TYR A 64 -8.075 -13.409 -7.853 1.00 0.00 O ATOM 1020 CB TYR A 64 -10.063 -16.023 -7.728 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.227 -16.070 -6.467 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.449 -15.178 -5.426 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.216 -17.013 -6.319 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.686 -15.223 -4.273 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.451 -17.063 -5.170 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.689 -16.168 -4.151 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.929 -16.215 -3.005 1.00 0.00 O ATOM 0 H TYR A 64 -11.024 -15.726 -9.967 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.552 -13.932 -7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.097 -16.258 -7.474 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.717 -16.801 -8.409 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.230 -14.437 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.026 -17.718 -7.115 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.870 -14.522 -3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.669 -17.801 -5.071 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.271 -16.938 -3.078 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.932 -14.723 -9.674 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.548 -14.365 -9.962 1.00 0.00 C ATOM 1039 C TYR A 65 -6.459 -12.995 -10.628 1.00 0.00 C ATOM 1040 O TYR A 65 -5.484 -12.266 -10.444 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.906 -15.424 -10.862 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.495 -15.786 -10.460 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -4.252 -16.807 -9.551 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -3.405 -15.106 -10.989 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.964 -17.141 -9.179 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.113 -15.435 -10.624 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.898 -16.453 -9.719 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.613 -16.782 -9.353 1.00 0.00 O ATOM 0 H TYR A 65 -8.341 -15.388 -10.331 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.009 -14.320 -9.016 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.521 -16.324 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.900 -15.060 -11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.084 -17.350 -9.127 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.570 -14.307 -11.697 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.793 -17.937 -8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.276 -14.898 -11.045 1.00 0.00 H new ATOM 0 HH TYR A 65 0.020 -16.202 -9.825 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.478 -12.653 -11.410 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.508 -11.374 -12.111 1.00 0.00 C ATOM 1060 C HIS A 66 -7.964 -10.245 -11.191 1.00 0.00 C ATOM 1061 O HIS A 66 -7.256 -9.254 -11.011 1.00 0.00 O ATOM 1062 CB HIS A 66 -8.433 -11.458 -13.327 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.891 -12.308 -14.433 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -8.345 -13.469 -14.963 1.00 0.00 N flip ATOM 1065 CD2 HIS A 66 -6.743 -11.996 -15.131 1.00 0.00 C flip ATOM 1066 CE1 HIS A 66 -7.472 -13.831 -15.959 1.00 0.00 C flip ATOM 1067 NE2 HIS A 66 -6.515 -12.926 -16.040 1.00 0.00 N flip ATOM 0 H HIS A 66 -8.293 -13.243 -11.574 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.493 -11.154 -12.443 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.398 -11.857 -13.013 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.612 -10.452 -13.707 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.126 -11.126 -14.960 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -7.555 -14.713 -16.576 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.732 -12.942 -16.694 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.152 -10.398 -10.614 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.701 -9.386 -9.718 1.00 0.00 C ATOM 1078 C LEU A 67 -8.775 -9.148 -8.526 1.00 0.00 C ATOM 1079 O LEU A 67 -8.751 -8.057 -7.955 1.00 0.00 O ATOM 1080 CB LEU A 67 -11.108 -9.796 -9.251 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.252 -10.142 -7.764 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.720 -10.302 -7.394 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -10.472 -11.407 -7.430 1.00 0.00 C ATOM 0 H LEU A 67 -9.752 -11.211 -10.751 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.780 -8.447 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.796 -8.983 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.426 -10.659 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.838 -9.322 -7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -12.804 -10.547 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.249 -9.370 -7.593 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.160 -11.103 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.587 -11.636 -6.371 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.854 -12.237 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.417 -11.254 -7.656 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.012 -10.173 -8.156 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.085 -10.068 -7.035 1.00 0.00 C ATOM 1097 C LEU A 68 -5.899 -9.178 -7.394 1.00 0.00 C ATOM 1098 O LEU A 68 -5.335 -8.502 -6.534 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.595 -11.457 -6.620 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.497 -11.469 -5.554 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.705 -12.621 -4.582 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.125 -11.561 -6.204 1.00 0.00 C ATOM 0 H LEU A 68 -8.018 -11.084 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.614 -9.614 -6.197 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.446 -12.029 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.225 -11.974 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.552 -10.535 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.914 -12.612 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.672 -12.512 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.678 -13.565 -5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.356 -11.568 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.060 -12.478 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.974 -10.702 -6.858 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.526 -9.183 -8.669 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.408 -8.376 -9.142 1.00 0.00 C ATOM 1116 C ALA A 69 -4.766 -6.893 -9.137 1.00 0.00 C ATOM 1117 O ALA A 69 -3.920 -6.041 -8.863 1.00 0.00 O ATOM 1118 CB ALA A 69 -3.990 -8.817 -10.537 1.00 0.00 C ATOM 0 H ALA A 69 -5.982 -9.737 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.569 -8.524 -8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.154 -8.205 -10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.687 -9.864 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.829 -8.698 -11.223 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.024 -6.592 -9.442 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.494 -5.213 -9.471 1.00 0.00 C ATOM 1126 C GLU A 70 -6.313 -4.550 -8.109 1.00 0.00 C ATOM 1127 O GLU A 70 -5.910 -3.390 -8.020 1.00 0.00 O ATOM 1128 CB GLU A 70 -7.967 -5.161 -9.885 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.315 -3.960 -10.748 1.00 0.00 C ATOM 1130 CD GLU A 70 -7.831 -4.109 -12.177 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -6.606 -4.010 -12.404 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -8.677 -4.325 -13.070 1.00 0.00 O ATOM 0 H GLU A 70 -6.736 -7.285 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.899 -4.668 -10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.215 -6.073 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.587 -5.146 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.396 -3.818 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.875 -3.064 -10.311 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.611 -5.296 -7.050 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.478 -4.781 -5.692 1.00 0.00 C ATOM 1141 C LYS A 71 -5.017 -4.477 -5.373 1.00 0.00 C ATOM 1142 O LYS A 71 -4.673 -3.355 -5.001 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.036 -5.791 -4.685 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.006 -5.178 -3.687 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.309 -4.769 -4.356 1.00 0.00 C ATOM 1146 CE LYS A 71 -9.309 -3.294 -4.720 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.661 -2.688 -4.583 1.00 0.00 N ATOM 0 H LYS A 71 -6.946 -6.258 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.049 -3.855 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.541 -6.591 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.208 -6.247 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.213 -5.894 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.547 -4.307 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.461 -5.367 -5.255 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.144 -4.980 -3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.606 -2.762 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.959 -3.173 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.618 -1.681 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.327 -3.179 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.985 -2.780 -3.599 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.162 -5.482 -5.529 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.737 -5.321 -5.264 1.00 0.00 C ATOM 1163 C ILE A 72 -2.124 -4.291 -6.207 1.00 0.00 C ATOM 1164 O ILE A 72 -1.175 -3.593 -5.850 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.984 -6.657 -5.415 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.650 -7.741 -4.565 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.521 -6.492 -5.024 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.724 -9.087 -5.253 1.00 0.00 C ATOM 0 H ILE A 72 -4.431 -6.416 -5.837 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.638 -4.975 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.026 -6.963 -6.460 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.099 -7.849 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.658 -7.419 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.005 -7.445 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.054 -5.748 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.456 -6.165 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.208 -9.807 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.301 -8.994 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.717 -9.431 -5.489 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.676 -4.201 -7.412 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.189 -3.257 -8.411 1.00 0.00 C ATOM 1182 C TYR A 73 -2.633 -1.836 -8.073 1.00 0.00 C ATOM 1183 O TYR A 73 -1.817 -0.916 -8.024 1.00 0.00 O ATOM 1184 CB TYR A 73 -2.698 -3.658 -9.802 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.531 -2.583 -10.854 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.276 -2.074 -11.163 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.629 -2.081 -11.537 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.122 -1.092 -12.123 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.484 -1.100 -12.499 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.229 -0.609 -12.788 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.080 0.369 -13.746 1.00 0.00 O ATOM 0 H TYR A 73 -3.463 -4.772 -7.721 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.099 -3.282 -8.411 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.169 -4.554 -10.126 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.754 -3.920 -9.729 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.407 -2.452 -10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.614 -2.463 -11.313 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.140 -0.705 -12.351 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.349 -0.720 -13.022 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.957 0.597 -14.120 1.00 0.00 H new ATOM 1201 N LYS A 74 -3.930 -1.665 -7.842 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.482 -0.357 -7.510 1.00 0.00 C ATOM 1203 C LYS A 74 -3.855 0.194 -6.233 1.00 0.00 C ATOM 1204 O LYS A 74 -3.516 1.374 -6.156 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.001 -0.447 -7.349 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.694 0.905 -7.346 1.00 0.00 C ATOM 1207 CD LYS A 74 -6.968 1.389 -5.932 1.00 0.00 C ATOM 1208 CE LYS A 74 -7.817 2.650 -5.928 1.00 0.00 C ATOM 1209 NZ LYS A 74 -9.171 2.408 -6.497 1.00 0.00 N ATOM 0 H LYS A 74 -4.619 -2.416 -7.879 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.249 0.324 -8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.408 -1.053 -8.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.229 -0.965 -6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.073 1.634 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.633 0.835 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.477 0.605 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.024 1.584 -5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.913 3.020 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.315 3.428 -6.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.811 3.175 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.111 2.379 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.538 1.500 -6.146 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.704 -0.668 -5.233 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.117 -0.266 -3.960 1.00 0.00 C ATOM 1225 C ILE A 75 -1.621 -0.006 -4.102 1.00 0.00 C ATOM 1226 O ILE A 75 -1.053 0.818 -3.383 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.343 -1.336 -2.874 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.826 -1.697 -2.783 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.831 -0.844 -1.527 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.077 -3.109 -2.299 1.00 0.00 C ATOM 0 H ILE A 75 -3.980 -1.649 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.615 0.656 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.785 -2.231 -3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.321 -0.998 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.283 -1.572 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.998 -1.612 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.764 -0.632 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.363 0.064 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.150 -3.295 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.611 -3.817 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.650 -3.234 -1.304 1.00 0.00 H new ATOM 1242 N GLN A 76 -0.986 -0.711 -5.032 1.00 0.00 N ATOM 1243 CA GLN A 76 0.445 -0.555 -5.265 1.00 0.00 C ATOM 1244 C GLN A 76 0.766 0.855 -5.754 1.00 0.00 C ATOM 1245 O GLN A 76 1.665 1.514 -5.233 1.00 0.00 O ATOM 1246 CB GLN A 76 0.933 -1.587 -6.285 1.00 0.00 C ATOM 1247 CG GLN A 76 1.704 -2.739 -5.661 1.00 0.00 C ATOM 1248 CD GLN A 76 2.932 -3.122 -6.463 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.813 -2.296 -6.703 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.997 -4.380 -6.882 1.00 0.00 N ATOM 0 H GLN A 76 -1.440 -1.396 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 76 0.962 -0.718 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.075 -1.985 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.568 -1.090 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.006 -2.464 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.048 -3.605 -5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.244 -5.031 -6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.800 -4.696 -7.426 1.00 0.00 H new ATOM 1259 N LYS A 77 0.022 1.310 -6.757 1.00 0.00 N ATOM 1260 CA LYS A 77 0.226 2.641 -7.316 1.00 0.00 C ATOM 1261 C LYS A 77 -0.379 3.712 -6.414 1.00 0.00 C ATOM 1262 O LYS A 77 0.103 4.844 -6.367 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.387 2.728 -8.715 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.897 2.547 -8.730 1.00 0.00 C ATOM 1265 CD LYS A 77 -2.356 1.793 -9.969 1.00 0.00 C ATOM 1266 CE LYS A 77 -3.625 2.397 -10.550 1.00 0.00 C ATOM 1267 NZ LYS A 77 -4.481 1.368 -11.199 1.00 0.00 N ATOM 0 H LYS A 77 -0.727 0.777 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 77 1.299 2.817 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.141 3.696 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.068 1.968 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.208 2.005 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.382 3.523 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.566 1.810 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.532 0.748 -9.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.188 2.891 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.362 3.163 -11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.127 1.828 -11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.881 0.686 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.035 0.869 -10.474 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.440 3.348 -5.700 1.00 0.00 N ATOM 1282 CA GLU A 78 -2.110 4.277 -4.799 1.00 0.00 C ATOM 1283 C GLU A 78 -1.154 4.776 -3.718 1.00 0.00 C ATOM 1284 O GLU A 78 -1.294 5.893 -3.220 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.324 3.610 -4.152 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.166 4.557 -3.313 1.00 0.00 C ATOM 1287 CD GLU A 78 -4.737 3.891 -2.077 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.427 2.861 -2.223 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -4.495 4.400 -0.962 1.00 0.00 O ATOM 0 H GLU A 78 -1.854 2.416 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.444 5.132 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.949 3.177 -4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.984 2.787 -3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.557 5.410 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.982 4.947 -3.921 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.185 3.939 -3.359 1.00 0.00 N ATOM 1297 CA LEU A 79 0.792 4.294 -2.336 1.00 0.00 C ATOM 1298 C LEU A 79 1.537 5.572 -2.713 1.00 0.00 C ATOM 1299 O LEU A 79 1.954 6.337 -1.843 1.00 0.00 O ATOM 1300 CB LEU A 79 1.788 3.150 -2.135 1.00 0.00 C ATOM 1301 CG LEU A 79 2.862 3.405 -1.076 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.283 2.101 -0.418 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.063 4.105 -1.694 1.00 0.00 C ATOM 0 H LEU A 79 -0.056 3.011 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 79 0.256 4.470 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.235 2.251 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.279 2.945 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 79 2.442 4.056 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.048 2.302 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.419 1.639 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.685 1.426 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.817 4.279 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.483 3.479 -2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.750 5.059 -2.117 1.00 0.00 H new ATOM 1315 N GLU A 80 1.701 5.795 -4.012 1.00 0.00 N ATOM 1316 CA GLU A 80 2.395 6.981 -4.502 1.00 0.00 C ATOM 1317 C GLU A 80 1.626 8.248 -4.143 1.00 0.00 C ATOM 1318 O GLU A 80 2.220 9.304 -3.923 1.00 0.00 O ATOM 1319 CB GLU A 80 2.584 6.896 -6.018 1.00 0.00 C ATOM 1320 CG GLU A 80 3.848 6.161 -6.433 1.00 0.00 C ATOM 1321 CD GLU A 80 3.939 5.961 -7.934 1.00 0.00 C ATOM 1322 OE1 GLU A 80 3.809 6.958 -8.675 1.00 0.00 O ATOM 1323 OE2 GLU A 80 4.140 4.807 -8.368 1.00 0.00 O ATOM 0 H GLU A 80 1.363 5.171 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 80 3.373 7.024 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.721 6.394 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.608 7.905 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.719 6.721 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.879 5.190 -5.938 1.00 0.00 H new ATOM 1330 N GLU A 81 0.303 8.136 -4.088 1.00 0.00 N ATOM 1331 CA GLU A 81 -0.547 9.274 -3.755 1.00 0.00 C ATOM 1332 C GLU A 81 -0.358 9.688 -2.300 1.00 0.00 C ATOM 1333 O GLU A 81 -0.494 10.862 -1.956 1.00 0.00 O ATOM 1334 CB GLU A 81 -2.016 8.932 -4.014 1.00 0.00 C ATOM 1335 CG GLU A 81 -2.942 10.135 -3.943 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.717 10.198 -2.642 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -3.998 9.125 -2.066 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.043 11.318 -2.198 1.00 0.00 O ATOM 0 H GLU A 81 -0.204 7.270 -4.270 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.258 10.110 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.105 8.473 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.342 8.190 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.356 11.047 -4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.642 10.100 -4.777 1.00 0.00 H new ATOM 1345 N LYS A 82 -0.045 8.716 -1.448 1.00 0.00 N ATOM 1346 CA LYS A 82 0.163 8.982 -0.030 1.00 0.00 C ATOM 1347 C LYS A 82 1.440 9.785 0.194 1.00 0.00 C ATOM 1348 O LYS A 82 1.535 10.569 1.138 1.00 0.00 O ATOM 1349 CB LYS A 82 0.229 7.668 0.752 1.00 0.00 C ATOM 1350 CG LYS A 82 -1.124 7.188 1.252 1.00 0.00 C ATOM 1351 CD LYS A 82 -1.348 7.570 2.706 1.00 0.00 C ATOM 1352 CE LYS A 82 -2.182 8.835 2.827 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.903 9.566 4.094 1.00 0.00 N ATOM 0 H LYS A 82 0.070 7.738 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.681 9.570 0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.666 6.898 0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.897 7.795 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.914 7.618 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.189 6.105 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.848 6.752 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.386 7.719 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.976 9.488 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.240 8.578 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.492 10.422 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.123 8.953 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.899 9.834 4.126 1.00 0.00 H new ATOM 1367 N ARG A 83 2.420 9.584 -0.681 1.00 0.00 N ATOM 1368 CA ARG A 83 3.692 10.290 -0.580 1.00 0.00 C ATOM 1369 C ARG A 83 3.487 11.798 -0.660 1.00 0.00 C ATOM 1370 O ARG A 83 4.002 12.548 0.167 1.00 0.00 O ATOM 1371 CB ARG A 83 4.644 9.832 -1.687 1.00 0.00 C ATOM 1372 CG ARG A 83 6.100 9.773 -1.251 1.00 0.00 C ATOM 1373 CD ARG A 83 7.041 9.941 -2.432 1.00 0.00 C ATOM 1374 NE ARG A 83 8.427 9.656 -2.072 1.00 0.00 N ATOM 1375 CZ ARG A 83 9.476 10.048 -2.791 1.00 0.00 C ATOM 1376 NH1 ARG A 83 9.302 10.743 -3.908 1.00 0.00 N ATOM 1377 NH2 ARG A 83 10.705 9.746 -2.391 1.00 0.00 N ATOM 0 H ARG A 83 2.358 8.938 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 83 4.133 10.054 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.337 8.845 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.555 10.510 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.293 10.555 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.296 8.819 -0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.732 9.277 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.967 10.960 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 83 8.602 9.125 -1.219 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.360 10.980 -4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.110 11.041 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.845 9.213 -1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.509 10.046 -2.942 1.00 0.00 H new ATOM 1391 N ARG A 84 2.730 12.237 -1.661 1.00 0.00 N ATOM 1392 CA ARG A 84 2.461 13.658 -1.841 1.00 0.00 C ATOM 1393 C ARG A 84 1.364 14.138 -0.901 1.00 0.00 C ATOM 1394 O ARG A 84 1.059 15.329 -0.851 1.00 0.00 O ATOM 1395 CB ARG A 84 2.080 13.954 -3.292 1.00 0.00 C ATOM 1396 CG ARG A 84 0.771 13.311 -3.721 1.00 0.00 C ATOM 1397 CD ARG A 84 -0.405 14.254 -3.523 1.00 0.00 C ATOM 1398 NE ARG A 84 -0.173 15.557 -4.143 1.00 0.00 N ATOM 1399 CZ ARG A 84 -0.311 15.794 -5.445 1.00 0.00 C ATOM 1400 NH1 ARG A 84 -0.679 14.819 -6.269 1.00 0.00 N ATOM 1401 NH2 ARG A 84 -0.081 17.007 -5.926 1.00 0.00 N ATOM 0 H ARG A 84 2.294 11.632 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 84 3.375 14.201 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.006 15.033 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.878 13.605 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.834 13.021 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.608 12.399 -3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.304 13.806 -3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.587 14.387 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 84 0.112 16.330 -3.542 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.857 13.883 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.783 15.006 -7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.202 17.759 -5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.187 17.188 -6.924 1.00 0.00 H new ATOM 1415 N SER A 85 0.789 13.216 -0.137 1.00 0.00 N ATOM 1416 CA SER A 85 -0.249 13.571 0.815 1.00 0.00 C ATOM 1417 C SER A 85 0.332 14.436 1.934 1.00 0.00 C ATOM 1418 O SER A 85 -0.406 14.978 2.756 1.00 0.00 O ATOM 1419 CB SER A 85 -0.887 12.312 1.404 1.00 0.00 C ATOM 1420 OG SER A 85 -1.987 12.638 2.236 1.00 0.00 O ATOM 0 H SER A 85 1.024 12.224 -0.160 1.00 0.00 H new ATOM 0 HA SER A 85 -1.017 14.140 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.218 11.657 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.144 11.759 1.979 1.00 0.00 H new ATOM 0 HG SER A 85 -1.868 13.542 2.596 1.00 0.00 H new ATOM 1426 N ARG A 86 1.662 14.560 1.960 1.00 0.00 N ATOM 1427 CA ARG A 86 2.332 15.360 2.983 1.00 0.00 C ATOM 1428 C ARG A 86 3.523 16.120 2.422 1.00 0.00 C ATOM 1429 O ARG A 86 4.056 17.032 3.055 1.00 0.00 O ATOM 1430 CB ARG A 86 2.787 14.468 4.132 1.00 0.00 C ATOM 1431 CG ARG A 86 3.171 15.236 5.386 1.00 0.00 C ATOM 1432 CD ARG A 86 4.334 14.576 6.110 1.00 0.00 C ATOM 1433 NE ARG A 86 4.283 14.804 7.552 1.00 0.00 N ATOM 1434 CZ ARG A 86 4.669 15.935 8.138 1.00 0.00 C ATOM 1435 NH1 ARG A 86 5.136 16.942 7.409 1.00 0.00 N ATOM 1436 NH2 ARG A 86 4.590 16.059 9.455 1.00 0.00 N ATOM 0 H ARG A 86 2.290 14.119 1.288 1.00 0.00 H new ATOM 0 HA ARG A 86 1.611 16.092 3.348 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.988 13.768 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.641 13.875 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.440 16.258 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.312 15.296 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.323 13.504 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.273 14.963 5.715 1.00 0.00 H new ATOM 0 HE ARG A 86 3.931 14.052 8.145 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.200 16.851 6.395 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.430 17.807 7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.233 15.288 10.019 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.886 16.926 9.904 1.00 0.00 H new ATOM 1450 N LEU A 87 3.926 15.732 1.237 1.00 0.00 N ATOM 1451 CA LEU A 87 5.054 16.356 0.556 1.00 0.00 C ATOM 1452 C LEU A 87 6.335 16.197 1.368 1.00 0.00 C ATOM 1453 O LEU A 87 6.472 16.888 2.399 1.00 0.00 O ATOM 1454 CB LEU A 87 4.773 17.839 0.311 1.00 0.00 C ATOM 1455 CG LEU A 87 5.338 18.400 -0.995 1.00 0.00 C ATOM 1456 CD1 LEU A 87 6.830 18.123 -1.092 1.00 0.00 C ATOM 1457 CD2 LEU A 87 4.605 17.807 -2.188 1.00 0.00 C ATOM 1458 OXT LEU A 87 7.191 15.380 0.966 1.00 0.00 O ATOM 0 H LEU A 87 3.488 14.976 0.711 1.00 0.00 H new ATOM 0 HA LEU A 87 5.188 15.856 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.694 17.994 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.183 18.413 1.142 1.00 0.00 H new ATOM 0 HG LEU A 87 5.189 19.480 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.215 18.529 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.343 18.594 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.003 17.047 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.019 18.216 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.724 16.724 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.546 18.055 -2.124 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -19.857 -3.243 4.521 1.00 0.00 N ATOM 1472 CA GLY B 88 -19.461 -2.033 3.750 1.00 0.00 C ATOM 1473 C GLY B 88 -20.206 -0.791 4.196 1.00 0.00 C ATOM 1474 O GLY B 88 -21.179 -0.381 3.562 1.00 0.00 O ATOM 0 HA2 GLY B 88 -18.389 -1.870 3.862 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -19.648 -2.204 2.690 1.00 0.00 H new ATOM 1480 N SER B 89 -19.749 -0.190 5.289 1.00 0.00 N ATOM 1481 CA SER B 89 -20.380 1.014 5.820 1.00 0.00 C ATOM 1482 C SER B 89 -19.331 2.003 6.318 1.00 0.00 C ATOM 1483 O SER B 89 -18.911 1.948 7.474 1.00 0.00 O ATOM 1484 CB SER B 89 -21.338 0.653 6.956 1.00 0.00 C ATOM 1485 OG SER B 89 -21.993 1.806 7.457 1.00 0.00 O ATOM 0 H SER B 89 -18.945 -0.516 5.825 1.00 0.00 H new ATOM 0 HA SER B 89 -20.944 1.485 5.015 1.00 0.00 H new ATOM 0 HB2 SER B 89 -22.078 -0.063 6.598 1.00 0.00 H new ATOM 0 HB3 SER B 89 -20.786 0.166 7.760 1.00 0.00 H new ATOM 0 HG SER B 89 -22.601 1.548 8.181 1.00 0.00 H new ATOM 1491 N GLY B 90 -18.912 2.906 5.438 1.00 0.00 N ATOM 1492 CA GLY B 90 -17.916 3.895 5.808 1.00 0.00 C ATOM 1493 C GLY B 90 -16.863 4.087 4.734 1.00 0.00 C ATOM 1494 O GLY B 90 -17.161 4.007 3.542 1.00 0.00 O ATOM 0 H GLY B 90 -19.244 2.971 4.476 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -18.409 4.847 6.003 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -17.433 3.590 6.736 1.00 0.00 H new ATOM 1498 N THR B 91 -15.629 4.341 5.157 1.00 0.00 N ATOM 1499 CA THR B 91 -14.529 4.546 4.222 1.00 0.00 C ATOM 1500 C THR B 91 -13.212 4.061 4.819 1.00 0.00 C ATOM 1501 O THR B 91 -13.132 3.758 6.010 1.00 0.00 O ATOM 1502 CB THR B 91 -14.418 6.025 3.848 1.00 0.00 C ATOM 1503 OG1 THR B 91 -15.654 6.686 4.046 1.00 0.00 O ATOM 1504 CG2 THR B 91 -14.003 6.247 2.409 1.00 0.00 C ATOM 0 H THR B 91 -15.366 4.410 6.140 1.00 0.00 H new ATOM 0 HA THR B 91 -14.736 3.966 3.323 1.00 0.00 H new ATOM 0 HB THR B 91 -13.645 6.432 4.500 1.00 0.00 H new ATOM 0 HG1 THR B 91 -15.562 7.631 3.803 1.00 0.00 H new ATOM 0 HG21 THR B 91 -13.943 7.317 2.209 1.00 0.00 H new ATOM 0 HG22 THR B 91 -13.028 5.790 2.237 1.00 0.00 H new ATOM 0 HG23 THR B 91 -14.739 5.794 1.744 1.00 0.00 H new ATOM 1512 N ASP B 92 -12.180 3.988 3.984 1.00 0.00 N ATOM 1513 CA ASP B 92 -10.866 3.539 4.428 1.00 0.00 C ATOM 1514 C ASP B 92 -10.231 4.560 5.366 1.00 0.00 C ATOM 1515 O ASP B 92 -10.319 5.767 5.138 1.00 0.00 O ATOM 1516 CB ASP B 92 -9.952 3.297 3.226 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.386 2.099 2.403 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -11.566 1.702 2.507 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -9.546 1.558 1.654 1.00 0.00 O ATOM 0 H ASP B 92 -12.229 4.234 2.995 1.00 0.00 H new ATOM 0 HA ASP B 92 -10.995 2.603 4.971 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -9.944 4.185 2.594 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -8.930 3.145 3.574 1.00 0.00 H new ATOM 1524 N LYS B 93 -9.590 4.069 6.423 1.00 0.00 N ATOM 1525 CA LYS B 93 -8.940 4.939 7.395 1.00 0.00 C ATOM 1526 C LYS B 93 -7.530 4.449 7.706 1.00 0.00 C ATOM 1527 O LYS B 93 -6.579 5.232 7.723 1.00 0.00 O ATOM 1528 CB LYS B 93 -9.764 5.007 8.682 1.00 0.00 C ATOM 1529 CG LYS B 93 -9.539 6.279 9.482 1.00 0.00 C ATOM 1530 CD LYS B 93 -10.324 7.446 8.905 1.00 0.00 C ATOM 1531 CE LYS B 93 -10.106 8.716 9.711 1.00 0.00 C ATOM 1532 NZ LYS B 93 -9.081 9.599 9.090 1.00 0.00 N ATOM 0 H LYS B 93 -9.507 3.073 6.627 1.00 0.00 H new ATOM 0 HA LYS B 93 -8.872 5.937 6.963 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -10.822 4.928 8.431 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.519 4.147 9.306 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.836 6.116 10.518 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.476 6.522 9.490 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.022 7.613 7.871 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.386 7.200 8.891 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.048 9.258 9.797 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -9.795 8.455 10.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.962 10.454 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -8.175 9.091 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -9.389 9.869 8.134 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.400 3.149 7.952 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.106 2.555 8.263 1.00 0.00 C ATOM 1548 C GLU B 94 -5.255 2.413 7.005 1.00 0.00 C ATOM 1549 O GLU B 94 -4.026 2.456 7.069 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.293 1.187 8.923 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.778 1.268 10.362 1.00 0.00 C ATOM 1552 CD GLU B 94 -5.637 1.277 11.360 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -4.524 0.843 10.995 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -5.857 1.716 12.508 1.00 0.00 O ATOM 0 H GLU B 94 -8.176 2.487 7.942 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.589 3.218 8.957 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.007 0.606 8.340 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -5.346 0.648 8.897 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -7.376 2.171 10.490 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.432 0.421 10.570 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.915 2.246 5.862 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.215 2.101 4.590 1.00 0.00 C ATOM 1563 C LEU B 95 -4.280 3.282 4.349 1.00 0.00 C ATOM 1564 O LEU B 95 -3.180 3.120 3.821 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.219 1.986 3.442 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.599 1.882 2.047 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -5.322 0.430 1.692 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.512 2.521 1.011 1.00 0.00 C ATOM 0 H LEU B 95 -6.932 2.208 5.791 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.618 1.190 4.632 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.843 1.109 3.612 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.877 2.855 3.467 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.651 2.420 2.050 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -4.881 0.377 0.696 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.630 0.003 2.418 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.256 -0.132 1.706 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.056 2.439 0.024 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.475 2.010 1.010 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.660 3.573 1.256 1.00 0.00 H new ATOM 1580 N SER B 96 -4.727 4.470 4.741 1.00 0.00 N ATOM 1581 CA SER B 96 -3.932 5.680 4.573 1.00 0.00 C ATOM 1582 C SER B 96 -2.849 5.772 5.642 1.00 0.00 C ATOM 1583 O SER B 96 -1.775 6.325 5.406 1.00 0.00 O ATOM 1584 CB SER B 96 -4.830 6.918 4.631 1.00 0.00 C ATOM 1585 OG SER B 96 -5.472 7.142 3.388 1.00 0.00 O ATOM 0 H SER B 96 -5.636 4.621 5.178 1.00 0.00 H new ATOM 0 HA SER B 96 -3.450 5.635 3.596 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.579 6.791 5.413 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.234 7.791 4.899 1.00 0.00 H new ATOM 0 HG SER B 96 -6.041 7.937 3.452 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.138 5.227 6.820 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.188 5.248 7.926 1.00 0.00 C ATOM 1593 C ASP B 97 -1.074 4.230 7.707 1.00 0.00 C ATOM 1594 O ASP B 97 0.062 4.437 8.133 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.905 4.961 9.247 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.123 5.456 10.448 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.876 5.480 10.377 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.759 5.822 11.460 1.00 0.00 O ATOM 0 H ASP B 97 -4.022 4.766 7.033 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.743 6.242 7.970 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.886 5.435 9.235 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -3.071 3.888 9.342 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.408 3.130 7.041 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.435 2.079 6.765 1.00 0.00 C ATOM 1605 C LEU B 98 0.441 2.446 5.572 1.00 0.00 C ATOM 1606 O LEU B 98 1.653 2.233 5.590 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.148 0.751 6.501 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.438 -0.088 7.747 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -2.789 0.282 8.338 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.386 -1.572 7.414 1.00 0.00 C ATOM 0 H LEU B 98 -2.344 2.943 6.682 1.00 0.00 H new ATOM 0 HA LEU B 98 0.204 1.972 7.641 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.090 0.957 5.993 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.540 0.159 5.817 1.00 0.00 H new ATOM 0 HG LEU B 98 -0.670 0.124 8.491 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -2.977 -0.325 9.223 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -2.789 1.336 8.615 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.571 0.101 7.600 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.595 -2.154 8.312 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.131 -1.800 6.652 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.395 -1.826 7.039 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.181 2.998 4.536 1.00 0.00 N ATOM 1623 CA LEU B 99 0.542 3.394 3.332 1.00 0.00 C ATOM 1624 C LEU B 99 1.607 4.438 3.657 1.00 0.00 C ATOM 1625 O LEU B 99 2.671 4.465 3.040 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.427 3.945 2.287 1.00 0.00 C ATOM 1627 CG LEU B 99 -1.048 2.896 1.363 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -2.304 3.442 0.701 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.042 2.450 0.312 1.00 0.00 C ATOM 0 H LEU B 99 -1.184 3.182 4.505 1.00 0.00 H new ATOM 0 HA LEU B 99 1.036 2.510 2.927 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.229 4.475 2.801 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.100 4.679 1.677 1.00 0.00 H new ATOM 0 HG LEU B 99 -1.326 2.030 1.964 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.731 2.681 0.048 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.031 3.712 1.467 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.051 4.325 0.113 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -0.500 1.704 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.266 3.309 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU B 99 0.830 2.018 0.803 1.00 0.00 H new ATOM 1641 N ASP B 100 1.311 5.296 4.628 1.00 0.00 N ATOM 1642 CA ASP B 100 2.243 6.341 5.034 1.00 0.00 C ATOM 1643 C ASP B 100 3.519 5.739 5.612 1.00 0.00 C ATOM 1644 O ASP B 100 4.624 6.083 5.193 1.00 0.00 O ATOM 1645 CB ASP B 100 1.589 7.264 6.064 1.00 0.00 C ATOM 1646 CG ASP B 100 2.073 8.696 5.948 1.00 0.00 C ATOM 1647 OD1 ASP B 100 1.598 9.412 5.042 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.927 9.101 6.763 1.00 0.00 O ATOM 0 H ASP B 100 0.433 5.288 5.148 1.00 0.00 H new ATOM 0 HA ASP B 100 2.506 6.922 4.150 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.507 7.238 5.936 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.800 6.892 7.067 1.00 0.00 H new ATOM 1653 N PHE B 101 3.358 4.837 6.575 1.00 0.00 N ATOM 1654 CA PHE B 101 4.498 4.185 7.210 1.00 0.00 C ATOM 1655 C PHE B 101 5.324 3.414 6.186 1.00 0.00 C ATOM 1656 O PHE B 101 6.552 3.380 6.264 1.00 0.00 O ATOM 1657 CB PHE B 101 4.020 3.241 8.314 1.00 0.00 C ATOM 1658 CG PHE B 101 5.139 2.562 9.051 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.883 3.251 9.995 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.446 1.234 8.801 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.913 2.630 10.675 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.475 0.606 9.478 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.209 1.306 10.416 1.00 0.00 C ATOM 0 H PHE B 101 2.450 4.541 6.933 1.00 0.00 H new ATOM 0 HA PHE B 101 5.129 4.957 7.650 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.416 3.804 9.026 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.371 2.482 7.876 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.655 4.286 10.202 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.875 0.683 8.069 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.486 3.179 11.408 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.704 -0.429 9.274 1.00 0.00 H new ATOM 0 HZ PHE B 101 8.014 0.818 10.946 1.00 0.00 H new ATOM 1673 N SER B 102 4.641 2.797 5.228 1.00 0.00 N ATOM 1674 CA SER B 102 5.312 2.026 4.187 1.00 0.00 C ATOM 1675 C SER B 102 6.091 2.941 3.248 1.00 0.00 C ATOM 1676 O SER B 102 7.194 2.610 2.815 1.00 0.00 O ATOM 1677 CB SER B 102 4.294 1.207 3.393 1.00 0.00 C ATOM 1678 OG SER B 102 3.246 0.746 4.228 1.00 0.00 O ATOM 0 H SER B 102 3.624 2.815 5.150 1.00 0.00 H new ATOM 0 HA SER B 102 6.016 1.348 4.669 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.881 1.816 2.589 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.792 0.357 2.926 1.00 0.00 H new ATOM 0 HG SER B 102 2.579 1.456 4.338 1.00 0.00 H new ATOM 1684 N ALA B 103 5.508 4.095 2.936 1.00 0.00 N ATOM 1685 CA ALA B 103 6.147 5.058 2.049 1.00 0.00 C ATOM 1686 C ALA B 103 7.307 5.762 2.745 1.00 0.00 C ATOM 1687 O ALA B 103 8.287 6.146 2.106 1.00 0.00 O ATOM 1688 CB ALA B 103 5.129 6.076 1.556 1.00 0.00 C ATOM 0 H ALA B 103 4.594 4.385 3.285 1.00 0.00 H new ATOM 0 HA ALA B 103 6.548 4.516 1.193 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.619 6.790 0.894 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.335 5.563 1.012 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.702 6.605 2.408 1.00 0.00 H new ATOM 1694 N MET B 104 7.188 5.928 4.059 1.00 0.00 N ATOM 1695 CA MET B 104 8.228 6.586 4.842 1.00 0.00 C ATOM 1696 C MET B 104 9.535 5.802 4.780 1.00 0.00 C ATOM 1697 O MET B 104 10.613 6.382 4.652 1.00 0.00 O ATOM 1698 CB MET B 104 7.779 6.739 6.296 1.00 0.00 C ATOM 1699 CG MET B 104 6.851 7.921 6.526 1.00 0.00 C ATOM 1700 SD MET B 104 7.713 9.365 7.177 1.00 0.00 S ATOM 1701 CE MET B 104 6.783 10.690 6.411 1.00 0.00 C ATOM 0 H MET B 104 6.383 5.616 4.603 1.00 0.00 H new ATOM 0 HA MET B 104 8.399 7.574 4.416 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.274 5.825 6.610 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.659 6.850 6.929 1.00 0.00 H new ATOM 0 HG2 MET B 104 6.366 8.185 5.586 1.00 0.00 H new ATOM 0 HG3 MET B 104 6.063 7.629 7.220 1.00 0.00 H new ATOM 0 HE1 MET B 104 7.197 11.650 6.718 1.00 0.00 H new ATOM 0 HE2 MET B 104 6.845 10.598 5.327 1.00 0.00 H new ATOM 0 HE3 MET B 104 5.740 10.629 6.721 1.00 0.00 H new ATOM 1711 N PHE B 105 9.430 4.480 4.873 1.00 0.00 N ATOM 1712 CA PHE B 105 10.604 3.616 4.827 1.00 0.00 C ATOM 1713 C PHE B 105 10.802 3.039 3.428 1.00 0.00 C ATOM 1714 O PHE B 105 11.233 1.898 3.273 1.00 0.00 O ATOM 1715 CB PHE B 105 10.467 2.482 5.844 1.00 0.00 C ATOM 1716 CG PHE B 105 10.561 2.940 7.271 1.00 0.00 C ATOM 1717 CD1 PHE B 105 9.440 3.407 7.938 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.771 2.903 7.946 1.00 0.00 C ATOM 1719 CE1 PHE B 105 9.523 3.830 9.251 1.00 0.00 C ATOM 1720 CE2 PHE B 105 11.861 3.324 9.260 1.00 0.00 C ATOM 1721 CZ PHE B 105 10.735 3.789 9.912 1.00 0.00 C ATOM 0 H PHE B 105 8.545 3.984 4.981 1.00 0.00 H new ATOM 0 HA PHE B 105 11.477 4.218 5.078 1.00 0.00 H new ATOM 0 HB2 PHE B 105 9.509 1.984 5.693 1.00 0.00 H new ATOM 0 HB3 PHE B 105 11.245 1.741 5.657 1.00 0.00 H new ATOM 0 HD1 PHE B 105 8.490 3.441 7.426 1.00 0.00 H new ATOM 0 HD2 PHE B 105 12.654 2.541 7.440 1.00 0.00 H new ATOM 0 HE1 PHE B 105 8.642 4.192 9.759 1.00 0.00 H new ATOM 0 HE2 PHE B 105 12.809 3.289 9.776 1.00 0.00 H new ATOM 0 HZ PHE B 105 10.803 4.120 10.938 1.00 0.00 H new ATOM 1731 N SER B 106 10.483 3.838 2.415 1.00 0.00 N ATOM 1732 CA SER B 106 10.626 3.407 1.029 1.00 0.00 C ATOM 1733 C SER B 106 9.754 2.189 0.745 1.00 0.00 C ATOM 1734 O SER B 106 9.634 1.811 -0.440 1.00 0.00 O ATOM 1735 CB SER B 106 12.089 3.085 0.722 1.00 0.00 C ATOM 1736 OG SER B 106 12.775 4.229 0.243 1.00 0.00 O ATOM 1737 OXT SER B 106 9.199 1.621 1.710 1.00 0.00 O ATOM 0 H SER B 106 10.124 4.786 2.528 1.00 0.00 H new ATOM 0 HA SER B 106 10.298 4.223 0.385 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.579 2.714 1.622 1.00 0.00 H new ATOM 0 HB3 SER B 106 12.141 2.289 -0.021 1.00 0.00 H new ATOM 0 HG SER B 106 13.708 3.996 0.056 1.00 0.00 H new TER 1743 SER B 106