USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl 159:sc= -6.37! (180deg=-7.83!) USER MOD Set 1.2: B 478 MET CE :methyl -125:sc= -3.67 (180deg=-7.94!) USER MOD Set 2.1: A 51 THR OG1 : rot -69:sc= 0.469 USER MOD Set 2.2: A 97 MET CE :methyl -139:sc= -0.842 (180deg=-3.1!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -2.41 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= -5.21! USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.766 K(o=-0.81,f=-8!) USER MOD Set 4.2: A 103 THR OG1 : rot -169:sc= -0.0463 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.011 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= -0.974 (180deg=-2.55!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.312 K(o=-0.31,f=-0.91) USER MOD Single : A 23 SER OG : rot 180:sc= -0.845 USER MOD Single : A 31 SER OG : rot -170:sc= -0.921 USER MOD Single : A 32 THR OG1 : rot 68:sc= -0.663 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00977) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -4.76! C(o=-5.3!,f=-4.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.613 X(o=-0.61,f=-1) USER MOD Single : A 54 SER OG : rot -50:sc= 0.621 USER MOD Single : A 55 SER OG : rot -140:sc= -0.501 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 152:sc= -0.241 (180deg=-0.981) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.124 F(o=-0.74,f=-0.12) USER MOD Single : A 88 MET CE :methyl -135:sc= -4.85! (180deg=-11.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= 1.11 K(o=1.1,f=-0.2) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00874 USER MOD Single : A 99 ASN :FLIP amide:sc= -4.98! C(o=-5.9!,f=-5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.192 K(o=-0.19,f=-0.84) USER MOD Single : A 109 SER OG : rot 94:sc= 0.0215 USER MOD Single : A 111 TYR OH : rot 40:sc= -1.32 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 477 GLN :FLIP amide:sc= -1.09 F(o=-2,f=-1.1) USER MOD Single : B 480 THR OG1 : rot 53:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.712 15.264 8.574 1.00 0.00 N ATOM 2 CA PRO A 1 -9.382 13.819 8.707 1.00 0.00 C ATOM 3 C PRO A 1 -7.873 13.577 8.681 1.00 0.00 C ATOM 4 O PRO A 1 -7.212 13.825 7.673 1.00 0.00 O ATOM 5 CB PRO A 1 -10.060 13.083 7.555 1.00 0.00 C ATOM 6 CG PRO A 1 -10.615 14.171 6.698 1.00 0.00 C ATOM 7 CD PRO A 1 -10.812 15.366 7.600 1.00 0.00 C ATOM 0 H2 PRO A 1 -8.899 15.792 8.257 1.00 0.00 H new ATOM 0 H3 PRO A 1 -9.989 15.655 9.474 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.740 13.450 9.668 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.350 12.466 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -10.847 12.420 7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.933 14.409 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.559 13.866 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.764 16.300 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.784 15.339 8.092 1.00 0.00 H new ATOM 17 N SER A 2 -7.338 13.091 9.796 1.00 0.00 N ATOM 18 CA SER A 2 -5.910 12.816 9.902 1.00 0.00 C ATOM 19 C SER A 2 -5.626 11.329 9.710 1.00 0.00 C ATOM 20 O SER A 2 -4.561 10.949 9.223 1.00 0.00 O ATOM 21 CB SER A 2 -5.379 13.277 11.260 1.00 0.00 C ATOM 22 OG SER A 2 -6.203 12.811 12.315 1.00 0.00 O ATOM 0 H SER A 2 -7.872 12.879 10.639 1.00 0.00 H new ATOM 0 HA SER A 2 -5.400 13.370 9.114 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.362 12.911 11.400 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.332 14.366 11.285 1.00 0.00 H new ATOM 0 HG SER A 2 -5.841 13.118 13.173 1.00 0.00 H new ATOM 28 N HIS A 3 -6.584 10.493 10.097 1.00 0.00 N ATOM 29 CA HIS A 3 -6.436 9.046 9.967 1.00 0.00 C ATOM 30 C HIS A 3 -7.481 8.466 9.028 1.00 0.00 C ATOM 31 O HIS A 3 -7.779 7.273 9.064 1.00 0.00 O ATOM 32 CB HIS A 3 -6.516 8.365 11.332 1.00 0.00 C ATOM 33 CG HIS A 3 -5.579 8.937 12.350 1.00 0.00 C ATOM 34 ND1 HIS A 3 -4.465 9.678 12.017 1.00 0.00 N ATOM 35 CD2 HIS A 3 -5.595 8.872 13.702 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.836 10.044 13.121 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.502 9.568 14.156 1.00 0.00 N ATOM 0 H HIS A 3 -7.471 10.791 10.503 1.00 0.00 H new ATOM 0 HA HIS A 3 -5.451 8.855 9.540 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.536 8.443 11.707 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.301 7.303 11.211 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.331 8.367 14.310 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.931 10.632 13.168 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.246 9.696 15.135 1.00 0.00 H new ATOM 46 N SER A 4 -8.031 9.320 8.192 1.00 0.00 N ATOM 47 CA SER A 4 -9.046 8.908 7.233 1.00 0.00 C ATOM 48 C SER A 4 -8.869 9.644 5.916 1.00 0.00 C ATOM 49 O SER A 4 -8.413 10.787 5.886 1.00 0.00 O ATOM 50 CB SER A 4 -10.447 9.159 7.792 1.00 0.00 C ATOM 51 OG SER A 4 -10.477 8.972 9.196 1.00 0.00 O ATOM 0 H SER A 4 -7.794 10.311 8.153 1.00 0.00 H new ATOM 0 HA SER A 4 -8.928 7.839 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.762 10.174 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.158 8.483 7.317 1.00 0.00 H new ATOM 0 HG SER A 4 -11.383 9.140 9.529 1.00 0.00 H new ATOM 57 N GLY A 5 -9.226 8.978 4.828 1.00 0.00 N ATOM 58 CA GLY A 5 -9.093 9.578 3.521 1.00 0.00 C ATOM 59 C GLY A 5 -9.775 8.763 2.447 1.00 0.00 C ATOM 60 O GLY A 5 -10.259 7.665 2.710 1.00 0.00 O ATOM 0 H GLY A 5 -9.606 8.031 4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.519 10.581 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.036 9.684 3.278 1.00 0.00 H new ATOM 64 N ALA A 6 -9.817 9.300 1.237 1.00 0.00 N ATOM 65 CA ALA A 6 -10.448 8.610 0.123 1.00 0.00 C ATOM 66 C ALA A 6 -9.412 8.124 -0.884 1.00 0.00 C ATOM 67 O ALA A 6 -8.615 8.908 -1.400 1.00 0.00 O ATOM 68 CB ALA A 6 -11.461 9.522 -0.554 1.00 0.00 C ATOM 0 H ALA A 6 -9.422 10.211 1.002 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.967 7.736 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.927 8.994 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.227 9.813 0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.956 10.413 -0.927 1.00 0.00 H new ATOM 74 N ALA A 7 -9.436 6.825 -1.163 1.00 0.00 N ATOM 75 CA ALA A 7 -8.507 6.226 -2.112 1.00 0.00 C ATOM 76 C ALA A 7 -9.184 5.108 -2.891 1.00 0.00 C ATOM 77 O ALA A 7 -10.253 4.632 -2.509 1.00 0.00 O ATOM 78 CB ALA A 7 -7.272 5.699 -1.397 1.00 0.00 C ATOM 0 H ALA A 7 -10.091 6.166 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.195 6.999 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.592 5.256 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.771 6.520 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.568 4.943 -0.669 1.00 0.00 H new ATOM 84 N ILE A 8 -8.562 4.698 -3.986 1.00 0.00 N ATOM 85 CA ILE A 8 -9.113 3.641 -4.819 1.00 0.00 C ATOM 86 C ILE A 8 -8.477 2.289 -4.493 1.00 0.00 C ATOM 87 O ILE A 8 -7.256 2.139 -4.523 1.00 0.00 O ATOM 88 CB ILE A 8 -8.929 3.969 -6.323 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.236 3.711 -7.086 1.00 0.00 C ATOM 90 CG2 ILE A 8 -7.777 3.174 -6.928 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.114 2.698 -8.207 1.00 0.00 C ATOM 0 H ILE A 8 -7.677 5.081 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.180 3.578 -4.604 1.00 0.00 H new ATOM 0 HB ILE A 8 -8.677 5.026 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.993 3.366 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.593 4.654 -7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.675 3.427 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.852 3.418 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.979 2.108 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -11.082 2.575 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.383 3.048 -8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.789 1.741 -7.799 1.00 0.00 H new ATOM 103 N PHE A 9 -9.314 1.304 -4.188 1.00 0.00 N ATOM 104 CA PHE A 9 -8.829 -0.035 -3.873 1.00 0.00 C ATOM 105 C PHE A 9 -9.329 -1.042 -4.902 1.00 0.00 C ATOM 106 O PHE A 9 -10.474 -0.972 -5.348 1.00 0.00 O ATOM 107 CB PHE A 9 -9.270 -0.461 -2.471 1.00 0.00 C ATOM 108 CG PHE A 9 -8.921 -1.887 -2.147 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.617 -2.243 -1.844 1.00 0.00 C ATOM 110 CD2 PHE A 9 -9.895 -2.871 -2.157 1.00 0.00 C ATOM 111 CE1 PHE A 9 -7.291 -3.553 -1.553 1.00 0.00 C ATOM 112 CE2 PHE A 9 -9.576 -4.184 -1.869 1.00 0.00 C ATOM 113 CZ PHE A 9 -8.272 -4.525 -1.566 1.00 0.00 C ATOM 0 H PHE A 9 -10.328 1.406 -4.152 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.740 -0.011 -3.902 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.805 0.196 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.348 -0.328 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.846 -1.487 -1.835 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.916 -2.609 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.271 -3.817 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.345 -4.943 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.020 -5.550 -1.340 1.00 0.00 H new ATOM 123 N GLU A 10 -8.460 -1.975 -5.279 1.00 0.00 N ATOM 124 CA GLU A 10 -8.814 -2.993 -6.261 1.00 0.00 C ATOM 125 C GLU A 10 -9.362 -2.348 -7.528 1.00 0.00 C ATOM 126 O GLU A 10 -10.166 -2.944 -8.245 1.00 0.00 O ATOM 127 CB GLU A 10 -9.847 -3.959 -5.677 1.00 0.00 C ATOM 128 CG GLU A 10 -9.230 -5.147 -4.957 1.00 0.00 C ATOM 129 CD GLU A 10 -9.112 -6.370 -5.845 1.00 0.00 C ATOM 130 OE1 GLU A 10 -8.752 -6.211 -7.030 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.380 -7.487 -5.355 1.00 0.00 O ATOM 0 H GLU A 10 -7.508 -2.047 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.913 -3.551 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.488 -3.416 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.486 -4.324 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.241 -4.872 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.836 -5.393 -4.085 1.00 0.00 H new ATOM 138 N LYS A 11 -8.920 -1.123 -7.796 1.00 0.00 N ATOM 139 CA LYS A 11 -9.360 -0.390 -8.970 1.00 0.00 C ATOM 140 C LYS A 11 -10.854 -0.114 -8.902 1.00 0.00 C ATOM 141 O LYS A 11 -11.567 -0.203 -9.901 1.00 0.00 O ATOM 142 CB LYS A 11 -8.998 -1.163 -10.234 1.00 0.00 C ATOM 143 CG LYS A 11 -7.603 -1.766 -10.176 1.00 0.00 C ATOM 144 CD LYS A 11 -6.538 -0.697 -9.974 1.00 0.00 C ATOM 145 CE LYS A 11 -6.588 0.358 -11.068 1.00 0.00 C ATOM 146 NZ LYS A 11 -7.373 1.553 -10.653 1.00 0.00 N ATOM 0 H LYS A 11 -8.254 -0.618 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.848 0.572 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.727 -1.959 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.066 -0.497 -11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.552 -2.489 -9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.403 -2.310 -11.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.678 -0.222 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.552 -1.162 -9.962 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.573 0.662 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.030 -0.072 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.009 2.395 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.374 1.414 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.285 1.686 -9.625 1.00 0.00 H new ATOM 160 N VAL A 12 -11.311 0.231 -7.705 1.00 0.00 N ATOM 161 CA VAL A 12 -12.709 0.537 -7.471 1.00 0.00 C ATOM 162 C VAL A 12 -12.833 1.715 -6.506 1.00 0.00 C ATOM 163 O VAL A 12 -12.591 1.573 -5.307 1.00 0.00 O ATOM 164 CB VAL A 12 -13.443 -0.698 -6.910 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.670 -0.303 -6.097 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.830 -1.641 -8.039 1.00 0.00 C ATOM 0 H VAL A 12 -10.723 0.305 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.172 0.811 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.758 -1.215 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.160 -1.200 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.365 0.324 -5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.364 0.250 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.347 -2.508 -7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.488 -1.123 -8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.932 -1.969 -8.563 1.00 0.00 H new ATOM 176 N SER A 13 -13.199 2.878 -7.045 1.00 0.00 N ATOM 177 CA SER A 13 -13.347 4.099 -6.250 1.00 0.00 C ATOM 178 C SER A 13 -13.941 3.814 -4.873 1.00 0.00 C ATOM 179 O SER A 13 -15.030 3.253 -4.759 1.00 0.00 O ATOM 180 CB SER A 13 -14.227 5.106 -6.993 1.00 0.00 C ATOM 181 OG SER A 13 -15.241 4.449 -7.732 1.00 0.00 O ATOM 0 H SER A 13 -13.400 3.001 -8.037 1.00 0.00 H new ATOM 0 HA SER A 13 -12.351 4.517 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.681 5.794 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.612 5.704 -7.665 1.00 0.00 H new ATOM 0 HG SER A 13 -15.791 5.114 -8.196 1.00 0.00 H new ATOM 187 N GLY A 14 -13.214 4.207 -3.831 1.00 0.00 N ATOM 188 CA GLY A 14 -13.685 3.990 -2.476 1.00 0.00 C ATOM 189 C GLY A 14 -13.054 4.936 -1.476 1.00 0.00 C ATOM 190 O GLY A 14 -12.503 5.971 -1.851 1.00 0.00 O ATOM 0 H GLY A 14 -12.308 4.671 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.768 4.110 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.471 2.962 -2.182 1.00 0.00 H new ATOM 194 N ILE A 15 -13.142 4.582 -0.197 1.00 0.00 N ATOM 195 CA ILE A 15 -12.587 5.407 0.865 1.00 0.00 C ATOM 196 C ILE A 15 -11.801 4.578 1.878 1.00 0.00 C ATOM 197 O ILE A 15 -12.099 3.404 2.098 1.00 0.00 O ATOM 198 CB ILE A 15 -13.687 6.176 1.606 1.00 0.00 C ATOM 199 CG1 ILE A 15 -14.649 6.841 0.617 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.057 7.209 2.520 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.967 7.742 -0.388 1.00 0.00 C ATOM 0 H ILE A 15 -13.594 3.727 0.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.910 6.112 0.382 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.264 5.474 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.198 6.066 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.382 7.424 1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.840 7.755 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.413 6.710 3.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -12.464 7.906 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.714 8.176 -1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.441 8.540 0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.254 7.161 -0.973 1.00 0.00 H new ATOM 213 N ILE A 16 -10.796 5.200 2.493 1.00 0.00 N ATOM 214 CA ILE A 16 -9.959 4.520 3.478 1.00 0.00 C ATOM 215 C ILE A 16 -10.141 5.092 4.883 1.00 0.00 C ATOM 216 O ILE A 16 -10.399 6.283 5.059 1.00 0.00 O ATOM 217 CB ILE A 16 -8.452 4.603 3.131 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.224 4.964 1.660 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.757 3.295 3.475 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.553 6.307 1.478 1.00 0.00 C ATOM 0 H ILE A 16 -10.542 6.174 2.326 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.286 3.480 3.453 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.019 5.402 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.612 4.192 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.182 4.969 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.699 3.369 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.865 3.095 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.208 2.482 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.419 6.506 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.175 7.087 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.581 6.298 1.971 1.00 0.00 H new ATOM 232 N ALA A 17 -9.977 4.225 5.876 1.00 0.00 N ATOM 233 CA ALA A 17 -10.086 4.606 7.279 1.00 0.00 C ATOM 234 C ALA A 17 -9.051 3.840 8.100 1.00 0.00 C ATOM 235 O ALA A 17 -8.879 2.637 7.916 1.00 0.00 O ATOM 236 CB ALA A 17 -11.490 4.334 7.797 1.00 0.00 C ATOM 0 H ALA A 17 -9.765 3.238 5.731 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.893 5.674 7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.553 4.624 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.210 4.911 7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.714 3.272 7.700 1.00 0.00 H new ATOM 242 N ILE A 18 -8.352 4.533 8.994 1.00 0.00 N ATOM 243 CA ILE A 18 -7.331 3.894 9.811 1.00 0.00 C ATOM 244 C ILE A 18 -7.901 3.447 11.158 1.00 0.00 C ATOM 245 O ILE A 18 -8.557 4.221 11.856 1.00 0.00 O ATOM 246 CB ILE A 18 -6.124 4.843 10.026 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.906 4.345 9.245 1.00 0.00 C ATOM 248 CG2 ILE A 18 -5.791 4.990 11.502 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.847 4.865 7.823 1.00 0.00 C ATOM 0 H ILE A 18 -8.474 5.530 9.169 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.986 3.009 9.277 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.401 5.828 9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.000 4.644 9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.918 3.255 9.225 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.940 5.662 11.618 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.652 5.400 12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.542 4.014 11.918 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.959 4.472 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.736 4.543 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.804 5.954 7.835 1.00 0.00 H new ATOM 261 N ASN A 19 -7.644 2.192 11.510 1.00 0.00 N ATOM 262 CA ASN A 19 -8.122 1.630 12.760 1.00 0.00 C ATOM 263 C ASN A 19 -7.029 1.640 13.823 1.00 0.00 C ATOM 264 O ASN A 19 -6.658 0.596 14.360 1.00 0.00 O ATOM 265 CB ASN A 19 -8.629 0.203 12.541 1.00 0.00 C ATOM 266 CG ASN A 19 -9.856 -0.109 13.376 1.00 0.00 C ATOM 267 OD1 ASN A 19 -9.897 -1.111 14.090 1.00 0.00 O ATOM 268 ND2 ASN A 19 -10.865 0.751 13.290 1.00 0.00 N ATOM 0 H ASN A 19 -7.102 1.543 10.939 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.945 2.251 13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.865 0.062 11.486 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.836 -0.503 12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.717 0.593 13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.788 1.569 12.685 1.00 0.00 H new ATOM 275 N GLU A 20 -6.525 2.830 14.132 1.00 0.00 N ATOM 276 CA GLU A 20 -5.485 2.982 15.140 1.00 0.00 C ATOM 277 C GLU A 20 -6.105 3.177 16.522 1.00 0.00 C ATOM 278 O GLU A 20 -5.656 4.016 17.304 1.00 0.00 O ATOM 279 CB GLU A 20 -4.578 4.166 14.797 1.00 0.00 C ATOM 280 CG GLU A 20 -3.343 3.775 14.004 1.00 0.00 C ATOM 281 CD GLU A 20 -2.079 4.422 14.537 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.996 5.668 14.517 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.173 3.682 14.976 1.00 0.00 O ATOM 0 H GLU A 20 -6.821 3.704 13.697 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.883 2.073 15.153 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.150 4.898 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.267 4.655 15.720 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.229 2.691 14.027 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.480 4.060 12.961 1.00 0.00 H new ATOM 290 N ASP A 21 -7.134 2.388 16.819 1.00 0.00 N ATOM 291 CA ASP A 21 -7.810 2.463 18.108 1.00 0.00 C ATOM 292 C ASP A 21 -7.692 1.125 18.814 1.00 0.00 C ATOM 293 O ASP A 21 -7.439 1.056 20.017 1.00 0.00 O ATOM 294 CB ASP A 21 -9.282 2.836 17.922 1.00 0.00 C ATOM 295 CG ASP A 21 -9.501 4.336 17.911 1.00 0.00 C ATOM 296 OD1 ASP A 21 -9.254 4.964 16.859 1.00 0.00 O ATOM 297 OD2 ASP A 21 -9.918 4.883 18.953 1.00 0.00 O ATOM 0 H ASP A 21 -7.517 1.689 16.183 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.338 3.236 18.714 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.646 2.412 16.986 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.871 2.391 18.724 1.00 0.00 H new ATOM 302 N VAL A 22 -7.859 0.062 18.039 1.00 0.00 N ATOM 303 CA VAL A 22 -7.755 -1.297 18.553 1.00 0.00 C ATOM 304 C VAL A 22 -6.422 -1.495 19.269 1.00 0.00 C ATOM 305 O VAL A 22 -5.641 -0.554 19.410 1.00 0.00 O ATOM 306 CB VAL A 22 -7.878 -2.346 17.423 1.00 0.00 C ATOM 307 CG1 VAL A 22 -9.287 -2.915 17.372 1.00 0.00 C ATOM 308 CG2 VAL A 22 -7.484 -1.761 16.071 1.00 0.00 C ATOM 0 H VAL A 22 -8.069 0.116 17.042 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.578 -1.439 19.253 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.184 -3.156 17.646 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -9.353 -3.651 16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.521 -3.392 18.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.998 -2.110 17.185 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.583 -2.526 15.301 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.137 -0.921 15.834 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.450 -1.417 16.111 1.00 0.00 H new ATOM 318 N SER A 23 -6.156 -2.719 19.715 1.00 0.00 N ATOM 319 CA SER A 23 -4.906 -3.012 20.406 1.00 0.00 C ATOM 320 C SER A 23 -3.712 -2.606 19.539 1.00 0.00 C ATOM 321 O SER A 23 -2.973 -1.685 19.887 1.00 0.00 O ATOM 322 CB SER A 23 -4.825 -4.496 20.778 1.00 0.00 C ATOM 323 OG SER A 23 -5.862 -5.237 20.159 1.00 0.00 O ATOM 0 H SER A 23 -6.783 -3.517 19.612 1.00 0.00 H new ATOM 0 HA SER A 23 -4.878 -2.431 21.328 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.858 -4.897 20.476 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.892 -4.606 21.860 1.00 0.00 H new ATOM 0 HG SER A 23 -5.786 -6.181 20.412 1.00 0.00 H new ATOM 329 N PRO A 24 -3.510 -3.277 18.388 1.00 0.00 N ATOM 330 CA PRO A 24 -2.412 -2.962 17.481 1.00 0.00 C ATOM 331 C PRO A 24 -2.741 -1.754 16.591 1.00 0.00 C ATOM 332 O PRO A 24 -2.739 -0.616 17.061 1.00 0.00 O ATOM 333 CB PRO A 24 -2.275 -4.251 16.670 1.00 0.00 C ATOM 334 CG PRO A 24 -3.669 -4.760 16.574 1.00 0.00 C ATOM 335 CD PRO A 24 -4.336 -4.387 17.874 1.00 0.00 C ATOM 0 HA PRO A 24 -1.493 -2.676 17.992 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.850 -4.060 15.685 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.621 -4.968 17.166 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.190 -4.315 15.726 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.681 -5.840 16.425 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.370 -4.078 17.719 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.355 -5.226 18.569 1.00 0.00 H new ATOM 343 N ALA A 25 -3.029 -2.001 15.310 1.00 0.00 N ATOM 344 CA ALA A 25 -3.363 -0.941 14.371 1.00 0.00 C ATOM 345 C ALA A 25 -3.519 -1.510 12.966 1.00 0.00 C ATOM 346 O ALA A 25 -2.738 -2.363 12.544 1.00 0.00 O ATOM 347 CB ALA A 25 -2.294 0.132 14.394 1.00 0.00 C ATOM 0 H ALA A 25 -3.036 -2.936 14.903 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.311 -0.493 14.669 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.554 0.920 13.687 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.222 0.553 15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.335 -0.304 14.114 1.00 0.00 H new ATOM 353 N GLU A 26 -4.534 -1.047 12.248 1.00 0.00 N ATOM 354 CA GLU A 26 -4.786 -1.528 10.899 1.00 0.00 C ATOM 355 C GLU A 26 -5.456 -0.458 10.045 1.00 0.00 C ATOM 356 O GLU A 26 -5.956 0.540 10.561 1.00 0.00 O ATOM 357 CB GLU A 26 -5.661 -2.786 10.933 1.00 0.00 C ATOM 358 CG GLU A 26 -5.444 -3.655 12.163 1.00 0.00 C ATOM 359 CD GLU A 26 -6.474 -4.760 12.285 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.536 -4.657 11.635 1.00 0.00 O ATOM 361 OE2 GLU A 26 -6.220 -5.729 13.032 1.00 0.00 O ATOM 0 H GLU A 26 -5.193 -0.342 12.577 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.823 -1.772 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.709 -2.489 10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.461 -3.380 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.448 -4.095 12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.479 -3.030 13.056 1.00 0.00 H new ATOM 368 N LEU A 27 -5.470 -0.683 8.736 1.00 0.00 N ATOM 369 CA LEU A 27 -6.085 0.242 7.803 1.00 0.00 C ATOM 370 C LEU A 27 -7.295 -0.418 7.146 1.00 0.00 C ATOM 371 O LEU A 27 -7.172 -1.461 6.505 1.00 0.00 O ATOM 372 CB LEU A 27 -5.075 0.669 6.735 1.00 0.00 C ATOM 373 CG LEU A 27 -5.650 1.516 5.598 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.638 2.556 5.141 1.00 0.00 C ATOM 375 CD2 LEU A 27 -6.069 0.630 4.434 1.00 0.00 C ATOM 0 H LEU A 27 -5.057 -1.507 8.298 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.412 1.129 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.276 1.231 7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.622 -0.226 6.307 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.532 2.037 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.065 3.148 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.386 3.210 5.976 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.737 2.056 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.476 1.249 3.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.203 0.082 4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.829 -0.076 4.769 1.00 0.00 H new ATOM 387 N THR A 28 -8.464 0.190 7.318 1.00 0.00 N ATOM 388 CA THR A 28 -9.696 -0.347 6.751 1.00 0.00 C ATOM 389 C THR A 28 -10.185 0.520 5.599 1.00 0.00 C ATOM 390 O THR A 28 -10.184 1.744 5.691 1.00 0.00 O ATOM 391 CB THR A 28 -10.778 -0.437 7.828 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.349 -1.248 8.906 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.086 -1.005 7.318 1.00 0.00 C ATOM 0 H THR A 28 -8.584 1.055 7.845 1.00 0.00 H new ATOM 0 HA THR A 28 -9.487 -1.346 6.369 1.00 0.00 H new ATOM 0 HB THR A 28 -10.948 0.590 8.151 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.055 -1.291 9.584 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.809 -1.041 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.471 -0.371 6.519 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.921 -2.012 6.935 1.00 0.00 H new ATOM 401 N TRP A 29 -10.605 -0.121 4.515 1.00 0.00 N ATOM 402 CA TRP A 29 -11.096 0.605 3.350 1.00 0.00 C ATOM 403 C TRP A 29 -12.388 -0.001 2.818 1.00 0.00 C ATOM 404 O TRP A 29 -12.552 -1.219 2.788 1.00 0.00 O ATOM 405 CB TRP A 29 -10.049 0.624 2.236 1.00 0.00 C ATOM 406 CG TRP A 29 -10.596 1.124 0.931 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.428 2.366 0.392 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.415 0.392 0.009 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.097 2.457 -0.803 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.701 1.254 -1.067 1.00 0.00 C ATOM 411 CE3 TRP A 29 -11.932 -0.909 -0.013 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.477 0.856 -2.154 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -12.704 -1.298 -1.094 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.967 -0.418 -2.151 1.00 0.00 C ATOM 0 H TRP A 29 -10.616 -1.136 4.418 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.296 1.627 3.672 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.214 1.255 2.540 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.655 -0.383 2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.852 3.162 0.841 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.138 3.284 -1.398 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.733 -1.595 0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.684 1.532 -2.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -13.111 -2.298 -1.123 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.570 -0.754 -2.981 1.00 0.00 H new ATOM 425 N ARG A 30 -13.293 0.864 2.378 1.00 0.00 N ATOM 426 CA ARG A 30 -14.564 0.420 1.818 1.00 0.00 C ATOM 427 C ARG A 30 -14.900 1.199 0.560 1.00 0.00 C ATOM 428 O ARG A 30 -14.560 2.375 0.434 1.00 0.00 O ATOM 429 CB ARG A 30 -15.705 0.591 2.816 1.00 0.00 C ATOM 430 CG ARG A 30 -15.855 -0.571 3.770 1.00 0.00 C ATOM 431 CD ARG A 30 -17.007 -0.355 4.738 1.00 0.00 C ATOM 432 NE ARG A 30 -18.224 0.076 4.055 1.00 0.00 N ATOM 433 CZ ARG A 30 -19.250 0.663 4.667 1.00 0.00 C ATOM 434 NH1 ARG A 30 -19.210 0.889 5.974 1.00 0.00 N ATOM 435 NH2 ARG A 30 -20.319 1.024 3.971 1.00 0.00 N ATOM 0 H ARG A 30 -13.171 1.876 2.398 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.453 -0.638 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.540 1.503 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -16.638 0.723 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.021 -1.488 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.929 -0.705 4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.204 -1.280 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.723 0.393 5.478 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.292 -0.082 3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.390 0.613 6.515 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.999 1.339 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -20.355 0.852 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.105 1.474 4.440 1.00 0.00 H new ATOM 449 N SER A 31 -15.593 0.544 -0.362 1.00 0.00 N ATOM 450 CA SER A 31 -15.999 1.194 -1.604 1.00 0.00 C ATOM 451 C SER A 31 -16.707 2.513 -1.295 1.00 0.00 C ATOM 452 O SER A 31 -17.032 2.791 -0.141 1.00 0.00 O ATOM 453 CB SER A 31 -16.921 0.279 -2.411 1.00 0.00 C ATOM 454 OG SER A 31 -16.175 -0.603 -3.232 1.00 0.00 O ATOM 0 H SER A 31 -15.885 -0.430 -0.276 1.00 0.00 H new ATOM 0 HA SER A 31 -15.108 1.398 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.551 -0.296 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.586 0.882 -3.030 1.00 0.00 H new ATOM 0 HG SER A 31 -16.779 -1.065 -3.850 1.00 0.00 H new ATOM 460 N THR A 32 -16.947 3.325 -2.320 1.00 0.00 N ATOM 461 CA THR A 32 -17.617 4.604 -2.124 1.00 0.00 C ATOM 462 C THR A 32 -19.033 4.395 -1.623 1.00 0.00 C ATOM 463 O THR A 32 -19.561 5.192 -0.848 1.00 0.00 O ATOM 464 CB THR A 32 -17.637 5.412 -3.413 1.00 0.00 C ATOM 465 OG1 THR A 32 -16.536 5.080 -4.239 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.606 6.906 -3.181 1.00 0.00 C ATOM 0 H THR A 32 -16.690 3.122 -3.286 1.00 0.00 H new ATOM 0 HA THR A 32 -17.056 5.162 -1.374 1.00 0.00 H new ATOM 0 HB THR A 32 -18.579 5.154 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.642 4.165 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.622 7.424 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.476 7.201 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.697 7.172 -2.641 1.00 0.00 H new ATOM 474 N ASP A 33 -19.635 3.308 -2.071 1.00 0.00 N ATOM 475 CA ASP A 33 -20.990 2.961 -1.680 1.00 0.00 C ATOM 476 C ASP A 33 -21.423 1.685 -2.384 1.00 0.00 C ATOM 477 O ASP A 33 -22.539 1.590 -2.895 1.00 0.00 O ATOM 478 CB ASP A 33 -21.957 4.102 -2.010 1.00 0.00 C ATOM 479 CG ASP A 33 -23.006 4.300 -0.934 1.00 0.00 C ATOM 480 OD1 ASP A 33 -22.715 3.995 0.242 1.00 0.00 O ATOM 481 OD2 ASP A 33 -24.118 4.762 -1.266 1.00 0.00 O ATOM 0 H ASP A 33 -19.202 2.644 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.009 2.797 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.394 5.026 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.450 3.894 -2.960 1.00 0.00 H new ATOM 486 N GLY A 34 -20.524 0.707 -2.417 1.00 0.00 N ATOM 487 CA GLY A 34 -20.828 -0.551 -3.075 1.00 0.00 C ATOM 488 C GLY A 34 -20.839 -1.726 -2.120 1.00 0.00 C ATOM 489 O GLY A 34 -20.526 -2.851 -2.509 1.00 0.00 O ATOM 0 H GLY A 34 -19.594 0.762 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.800 -0.475 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.093 -0.733 -3.859 1.00 0.00 H new ATOM 493 N ASP A 35 -21.198 -1.466 -0.866 1.00 0.00 N ATOM 494 CA ASP A 35 -21.246 -2.511 0.153 1.00 0.00 C ATOM 495 C ASP A 35 -19.999 -3.383 0.094 1.00 0.00 C ATOM 496 O ASP A 35 -20.043 -4.579 0.382 1.00 0.00 O ATOM 497 CB ASP A 35 -22.499 -3.372 -0.021 1.00 0.00 C ATOM 498 CG ASP A 35 -23.106 -3.784 1.306 1.00 0.00 C ATOM 499 OD1 ASP A 35 -23.671 -2.910 1.996 1.00 0.00 O ATOM 500 OD2 ASP A 35 -23.016 -4.980 1.654 1.00 0.00 O ATOM 0 H ASP A 35 -21.460 -0.539 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.284 -2.029 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.239 -2.819 -0.600 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.247 -4.264 -0.595 1.00 0.00 H new ATOM 505 N LYS A 36 -18.888 -2.765 -0.280 1.00 0.00 N ATOM 506 CA LYS A 36 -17.619 -3.459 -0.383 1.00 0.00 C ATOM 507 C LYS A 36 -16.658 -2.973 0.693 1.00 0.00 C ATOM 508 O LYS A 36 -16.573 -1.775 0.967 1.00 0.00 O ATOM 509 CB LYS A 36 -17.005 -3.252 -1.769 1.00 0.00 C ATOM 510 CG LYS A 36 -17.564 -4.191 -2.827 1.00 0.00 C ATOM 511 CD LYS A 36 -16.458 -4.807 -3.668 1.00 0.00 C ATOM 512 CE LYS A 36 -17.023 -5.623 -4.820 1.00 0.00 C ATOM 513 NZ LYS A 36 -17.736 -6.839 -4.342 1.00 0.00 N ATOM 0 H LYS A 36 -18.844 -1.774 -0.519 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.799 -4.524 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.175 -2.222 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.926 -3.392 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.139 -4.982 -2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.252 -3.645 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.815 -4.019 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.834 -5.444 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.708 -5.005 -5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.214 -5.916 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.077 -7.385 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.085 -7.425 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.545 -6.558 -3.752 1.00 0.00 H new ATOM 527 N VAL A 37 -15.940 -3.905 1.305 1.00 0.00 N ATOM 528 CA VAL A 37 -14.995 -3.568 2.352 1.00 0.00 C ATOM 529 C VAL A 37 -13.689 -4.337 2.189 1.00 0.00 C ATOM 530 O VAL A 37 -13.663 -5.432 1.626 1.00 0.00 O ATOM 531 CB VAL A 37 -15.558 -3.884 3.754 1.00 0.00 C ATOM 532 CG1 VAL A 37 -14.819 -3.097 4.827 1.00 0.00 C ATOM 533 CG2 VAL A 37 -17.058 -3.622 3.819 1.00 0.00 C ATOM 0 H VAL A 37 -15.997 -4.901 1.091 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.813 -2.497 2.262 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.399 -4.945 3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.235 -3.337 5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.761 -3.360 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.931 -2.029 4.637 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -17.425 -3.854 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -17.254 -2.574 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.569 -4.251 3.090 1.00 0.00 H new ATOM 543 N HIS A 38 -12.615 -3.761 2.707 1.00 0.00 N ATOM 544 CA HIS A 38 -11.301 -4.385 2.652 1.00 0.00 C ATOM 545 C HIS A 38 -10.378 -3.760 3.693 1.00 0.00 C ATOM 546 O HIS A 38 -10.061 -2.573 3.624 1.00 0.00 O ATOM 547 CB HIS A 38 -10.697 -4.252 1.253 1.00 0.00 C ATOM 548 CG HIS A 38 -10.431 -5.570 0.596 1.00 0.00 C ATOM 549 ND1 HIS A 38 -9.335 -6.365 0.615 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 -11.358 -6.218 -0.194 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 -9.617 -7.466 -0.156 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 -10.843 -7.354 -0.632 1.00 0.00 N flip ATOM 0 H HIS A 38 -12.628 -2.854 3.174 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.413 -5.446 2.875 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.374 -3.671 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -9.764 -3.692 1.319 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.350 -5.854 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.944 -8.290 -0.343 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.313 -8.029 -1.235 1.00 0.00 H new ATOM 561 N THR A 39 -9.960 -4.566 4.663 1.00 0.00 N ATOM 562 CA THR A 39 -9.089 -4.097 5.725 1.00 0.00 C ATOM 563 C THR A 39 -7.808 -4.922 5.793 1.00 0.00 C ATOM 564 O THR A 39 -7.837 -6.144 5.651 1.00 0.00 O ATOM 565 CB THR A 39 -9.813 -4.158 7.070 1.00 0.00 C ATOM 566 OG1 THR A 39 -11.067 -3.504 6.995 1.00 0.00 O ATOM 567 CG2 THR A 39 -9.030 -3.527 8.200 1.00 0.00 C ATOM 0 H THR A 39 -10.214 -5.551 4.732 1.00 0.00 H new ATOM 0 HA THR A 39 -8.822 -3.064 5.505 1.00 0.00 H new ATOM 0 HB THR A 39 -9.935 -5.220 7.285 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.515 -3.555 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.600 -3.604 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.078 -4.045 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.847 -2.477 7.974 1.00 0.00 H new ATOM 575 N VAL A 40 -6.686 -4.247 6.019 1.00 0.00 N ATOM 576 CA VAL A 40 -5.397 -4.921 6.115 1.00 0.00 C ATOM 577 C VAL A 40 -4.711 -4.599 7.441 1.00 0.00 C ATOM 578 O VAL A 40 -4.778 -3.471 7.928 1.00 0.00 O ATOM 579 CB VAL A 40 -4.463 -4.543 4.942 1.00 0.00 C ATOM 580 CG1 VAL A 40 -5.233 -4.512 3.631 1.00 0.00 C ATOM 581 CG2 VAL A 40 -3.779 -3.208 5.196 1.00 0.00 C ATOM 0 H VAL A 40 -6.643 -3.235 6.139 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.594 -5.992 6.064 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.690 -5.308 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.558 -4.244 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.661 -5.495 3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.033 -3.774 3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.128 -2.967 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.533 -2.428 5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.185 -3.271 6.108 1.00 0.00 H new ATOM 591 N VAL A 41 -4.054 -5.598 8.016 1.00 0.00 N ATOM 592 CA VAL A 41 -3.355 -5.427 9.285 1.00 0.00 C ATOM 593 C VAL A 41 -1.845 -5.464 9.084 1.00 0.00 C ATOM 594 O VAL A 41 -1.334 -6.280 8.320 1.00 0.00 O ATOM 595 CB VAL A 41 -3.752 -6.520 10.295 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.203 -6.200 11.678 1.00 0.00 C ATOM 597 CG2 VAL A 41 -5.263 -6.686 10.334 1.00 0.00 C ATOM 0 H VAL A 41 -3.990 -6.537 7.624 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.646 -4.454 9.681 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.315 -7.464 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.495 -6.985 12.376 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.116 -6.141 11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.605 -5.245 12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.525 -7.462 11.053 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.725 -5.745 10.632 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.623 -6.970 9.345 1.00 0.00 H new ATOM 607 N LEU A 42 -1.134 -4.575 9.772 1.00 0.00 N ATOM 608 CA LEU A 42 0.317 -4.507 9.661 1.00 0.00 C ATOM 609 C LEU A 42 0.954 -5.874 9.863 1.00 0.00 C ATOM 610 O LEU A 42 1.971 -6.191 9.247 1.00 0.00 O ATOM 611 CB LEU A 42 0.875 -3.512 10.670 1.00 0.00 C ATOM 612 CG LEU A 42 1.363 -2.201 10.053 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.778 -1.005 10.786 1.00 0.00 C ATOM 614 CD2 LEU A 42 2.884 -2.143 10.050 1.00 0.00 C ATOM 0 H LEU A 42 -1.540 -3.892 10.412 1.00 0.00 H new ATOM 0 HA LEU A 42 0.561 -4.170 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.104 -3.289 11.408 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.702 -3.979 11.205 1.00 0.00 H new ATOM 0 HG LEU A 42 1.018 -2.163 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.140 -0.085 10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.310 -1.037 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.083 -1.034 11.832 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.211 -1.202 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.253 -2.210 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.279 -2.975 9.467 1.00 0.00 H new ATOM 626 N SER A 43 0.343 -6.685 10.718 1.00 0.00 N ATOM 627 CA SER A 43 0.847 -8.030 10.987 1.00 0.00 C ATOM 628 C SER A 43 1.192 -8.750 9.681 1.00 0.00 C ATOM 629 O SER A 43 2.067 -9.615 9.650 1.00 0.00 O ATOM 630 CB SER A 43 -0.187 -8.839 11.772 1.00 0.00 C ATOM 631 OG SER A 43 -0.340 -8.331 13.086 1.00 0.00 O ATOM 0 H SER A 43 -0.500 -6.438 11.237 1.00 0.00 H new ATOM 0 HA SER A 43 1.754 -7.940 11.585 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.145 -8.811 11.254 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.121 -9.884 11.816 1.00 0.00 H new ATOM 0 HG SER A 43 -1.007 -8.864 13.567 1.00 0.00 H new ATOM 637 N THR A 44 0.506 -8.371 8.603 1.00 0.00 N ATOM 638 CA THR A 44 0.743 -8.962 7.291 1.00 0.00 C ATOM 639 C THR A 44 1.555 -8.005 6.421 1.00 0.00 C ATOM 640 O THR A 44 2.261 -8.425 5.506 1.00 0.00 O ATOM 641 CB THR A 44 -0.589 -9.295 6.619 1.00 0.00 C ATOM 642 OG1 THR A 44 -0.411 -10.257 5.595 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.279 -8.094 6.007 1.00 0.00 C ATOM 0 H THR A 44 -0.220 -7.655 8.615 1.00 0.00 H new ATOM 0 HA THR A 44 1.312 -9.884 7.415 1.00 0.00 H new ATOM 0 HB THR A 44 -1.220 -9.681 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.276 -10.456 5.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.217 -8.408 5.549 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.483 -7.357 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.634 -7.652 5.247 1.00 0.00 H new ATOM 651 N ILE A 45 1.441 -6.716 6.728 1.00 0.00 N ATOM 652 CA ILE A 45 2.158 -5.670 6.000 1.00 0.00 C ATOM 653 C ILE A 45 3.066 -4.894 6.952 1.00 0.00 C ATOM 654 O ILE A 45 2.587 -4.202 7.849 1.00 0.00 O ATOM 655 CB ILE A 45 1.172 -4.702 5.288 1.00 0.00 C ATOM 656 CG1 ILE A 45 1.880 -3.405 4.844 1.00 0.00 C ATOM 657 CG2 ILE A 45 -0.028 -4.397 6.178 1.00 0.00 C ATOM 658 CD1 ILE A 45 1.438 -2.156 5.583 1.00 0.00 C ATOM 0 H ILE A 45 0.852 -6.367 7.484 1.00 0.00 H new ATOM 0 HA ILE A 45 2.769 -6.149 5.235 1.00 0.00 H new ATOM 0 HB ILE A 45 0.807 -5.200 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.954 -3.529 4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.707 -3.260 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.703 -3.718 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.553 -5.323 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.314 -3.932 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.989 -1.295 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.370 -2.000 5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.637 -2.274 6.648 1.00 0.00 H new ATOM 670 N ASP A 46 4.382 -5.023 6.767 1.00 0.00 N ATOM 671 CA ASP A 46 5.332 -4.335 7.637 1.00 0.00 C ATOM 672 C ASP A 46 6.135 -3.275 6.898 1.00 0.00 C ATOM 673 O ASP A 46 7.231 -2.907 7.320 1.00 0.00 O ATOM 674 CB ASP A 46 6.273 -5.340 8.303 1.00 0.00 C ATOM 675 CG ASP A 46 6.574 -4.983 9.745 1.00 0.00 C ATOM 676 OD1 ASP A 46 6.942 -3.818 10.004 1.00 0.00 O ATOM 677 OD2 ASP A 46 6.443 -5.869 10.616 1.00 0.00 O ATOM 0 H ASP A 46 4.807 -5.589 6.033 1.00 0.00 H new ATOM 0 HA ASP A 46 4.748 -3.824 8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.826 -6.333 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.206 -5.388 7.741 1.00 0.00 H new ATOM 682 N LYS A 47 5.576 -2.774 5.811 1.00 0.00 N ATOM 683 CA LYS A 47 6.228 -1.731 5.022 1.00 0.00 C ATOM 684 C LYS A 47 5.212 -0.996 4.154 1.00 0.00 C ATOM 685 O LYS A 47 4.281 -1.601 3.623 1.00 0.00 O ATOM 686 CB LYS A 47 7.350 -2.305 4.144 1.00 0.00 C ATOM 687 CG LYS A 47 7.792 -3.707 4.529 1.00 0.00 C ATOM 688 CD LYS A 47 8.826 -4.251 3.558 1.00 0.00 C ATOM 689 CE LYS A 47 10.242 -3.974 4.037 1.00 0.00 C ATOM 690 NZ LYS A 47 11.165 -5.100 3.724 1.00 0.00 N ATOM 0 H LYS A 47 4.669 -3.070 5.449 1.00 0.00 H new ATOM 0 HA LYS A 47 6.673 -1.025 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.015 -2.315 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.211 -1.639 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.208 -3.695 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.927 -4.370 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.685 -5.325 3.439 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.678 -3.800 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.611 -3.061 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.234 -3.800 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.120 -4.872 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.827 -5.966 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.193 -5.250 2.695 1.00 0.00 H new ATOM 704 N LEU A 48 5.396 0.314 4.016 1.00 0.00 N ATOM 705 CA LEU A 48 4.494 1.133 3.213 1.00 0.00 C ATOM 706 C LEU A 48 5.274 1.976 2.201 1.00 0.00 C ATOM 707 O LEU A 48 6.137 2.771 2.573 1.00 0.00 O ATOM 708 CB LEU A 48 3.649 2.039 4.120 1.00 0.00 C ATOM 709 CG LEU A 48 4.315 3.349 4.558 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.326 4.221 5.315 1.00 0.00 C ATOM 711 CD2 LEU A 48 5.540 3.066 5.414 1.00 0.00 C ATOM 0 H LEU A 48 6.161 0.831 4.450 1.00 0.00 H new ATOM 0 HA LEU A 48 3.830 0.467 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.722 2.280 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.376 1.476 5.012 1.00 0.00 H new ATOM 0 HG LEU A 48 4.637 3.886 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.815 5.147 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.478 4.453 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.975 3.689 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.999 4.008 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.243 2.507 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.258 2.480 4.840 1.00 0.00 H new ATOM 723 N GLN A 49 4.959 1.800 0.922 1.00 0.00 N ATOM 724 CA GLN A 49 5.619 2.549 -0.144 1.00 0.00 C ATOM 725 C GLN A 49 4.689 3.638 -0.676 1.00 0.00 C ATOM 726 O GLN A 49 3.595 3.347 -1.159 1.00 0.00 O ATOM 727 CB GLN A 49 6.025 1.606 -1.279 1.00 0.00 C ATOM 728 CG GLN A 49 7.492 1.717 -1.663 1.00 0.00 C ATOM 729 CD GLN A 49 8.235 0.403 -1.515 1.00 0.00 C ATOM 730 OE1 GLN A 49 8.994 0.209 -0.566 1.00 0.00 O ATOM 731 NE2 GLN A 49 8.020 -0.508 -2.457 1.00 0.00 N ATOM 0 H GLN A 49 4.249 1.144 0.597 1.00 0.00 H new ATOM 0 HA GLN A 49 6.515 3.018 0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.812 0.579 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.411 1.818 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.569 2.059 -2.695 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.971 2.473 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.382 -0.305 -3.227 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.493 -1.411 -2.411 1.00 0.00 H new ATOM 740 N ALA A 50 5.124 4.889 -0.582 1.00 0.00 N ATOM 741 CA ALA A 50 4.322 6.014 -1.052 1.00 0.00 C ATOM 742 C ALA A 50 5.132 6.920 -1.971 1.00 0.00 C ATOM 743 O ALA A 50 6.360 6.842 -2.011 1.00 0.00 O ATOM 744 CB ALA A 50 3.781 6.806 0.130 1.00 0.00 C ATOM 0 H ALA A 50 6.027 5.151 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 50 3.484 5.617 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.185 7.642 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.159 6.158 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.612 7.185 0.725 1.00 0.00 H new ATOM 750 N THR A 51 4.437 7.779 -2.709 1.00 0.00 N ATOM 751 CA THR A 51 5.092 8.702 -3.629 1.00 0.00 C ATOM 752 C THR A 51 5.533 9.972 -2.904 1.00 0.00 C ATOM 753 O THR A 51 5.113 10.230 -1.776 1.00 0.00 O ATOM 754 CB THR A 51 4.154 9.054 -4.787 1.00 0.00 C ATOM 755 OG1 THR A 51 2.838 8.598 -4.527 1.00 0.00 O ATOM 756 CG2 THR A 51 4.591 8.462 -6.109 1.00 0.00 C ATOM 0 H THR A 51 3.420 7.855 -2.688 1.00 0.00 H new ATOM 0 HA THR A 51 5.979 8.210 -4.030 1.00 0.00 H new ATOM 0 HB THR A 51 4.186 10.141 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.819 7.619 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.884 8.749 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.583 8.835 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.621 7.375 -6.029 1.00 0.00 H new ATOM 764 N PRO A 52 6.389 10.785 -3.547 1.00 0.00 N ATOM 765 CA PRO A 52 6.888 12.033 -2.958 1.00 0.00 C ATOM 766 C PRO A 52 5.794 13.086 -2.815 1.00 0.00 C ATOM 767 O PRO A 52 4.740 12.991 -3.444 1.00 0.00 O ATOM 768 CB PRO A 52 7.953 12.499 -3.954 1.00 0.00 C ATOM 769 CG PRO A 52 7.563 11.873 -5.247 1.00 0.00 C ATOM 770 CD PRO A 52 6.939 10.552 -4.895 1.00 0.00 C ATOM 0 HA PRO A 52 7.269 11.881 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.974 13.586 -4.031 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.949 12.182 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.860 12.505 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.431 11.735 -5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.160 10.273 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.674 9.747 -4.896 1.00 0.00 H new ATOM 778 N ALA A 53 6.052 14.089 -1.981 1.00 0.00 N ATOM 779 CA ALA A 53 5.090 15.161 -1.752 1.00 0.00 C ATOM 780 C ALA A 53 4.740 15.876 -3.053 1.00 0.00 C ATOM 781 O ALA A 53 3.590 16.257 -3.273 1.00 0.00 O ATOM 782 CB ALA A 53 5.638 16.152 -0.736 1.00 0.00 C ATOM 0 H ALA A 53 6.920 14.181 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 53 4.177 14.716 -1.357 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.910 16.947 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.830 15.639 0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.567 16.581 -1.111 1.00 0.00 H new ATOM 788 N SER A 54 5.737 16.053 -3.913 1.00 0.00 N ATOM 789 CA SER A 54 5.533 16.721 -5.194 1.00 0.00 C ATOM 790 C SER A 54 5.336 15.703 -6.313 1.00 0.00 C ATOM 791 O SER A 54 5.685 15.958 -7.466 1.00 0.00 O ATOM 792 CB SER A 54 6.723 17.626 -5.516 1.00 0.00 C ATOM 793 OG SER A 54 6.460 18.429 -6.654 1.00 0.00 O ATOM 0 H SER A 54 6.695 15.743 -3.747 1.00 0.00 H new ATOM 0 HA SER A 54 4.632 17.330 -5.119 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.941 18.264 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.609 17.017 -5.694 1.00 0.00 H new ATOM 0 HG SER A 54 6.136 17.863 -7.386 1.00 0.00 H new ATOM 799 N SER A 55 4.776 14.549 -5.965 1.00 0.00 N ATOM 800 CA SER A 55 4.533 13.492 -6.937 1.00 0.00 C ATOM 801 C SER A 55 3.490 13.920 -7.964 1.00 0.00 C ATOM 802 O SER A 55 2.833 14.949 -7.806 1.00 0.00 O ATOM 803 CB SER A 55 4.072 12.217 -6.229 1.00 0.00 C ATOM 804 OG SER A 55 3.697 11.221 -7.164 1.00 0.00 O ATOM 0 H SER A 55 4.482 14.323 -5.015 1.00 0.00 H new ATOM 0 HA SER A 55 5.469 13.294 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.873 11.840 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.228 12.444 -5.577 1.00 0.00 H new ATOM 0 HG SER A 55 2.898 10.754 -6.842 1.00 0.00 H new ATOM 810 N GLU A 56 3.343 13.121 -9.015 1.00 0.00 N ATOM 811 CA GLU A 56 2.379 13.410 -10.069 1.00 0.00 C ATOM 812 C GLU A 56 1.462 12.214 -10.304 1.00 0.00 C ATOM 813 O GLU A 56 1.205 11.828 -11.444 1.00 0.00 O ATOM 814 CB GLU A 56 3.105 13.777 -11.365 1.00 0.00 C ATOM 815 CG GLU A 56 2.352 14.783 -12.220 1.00 0.00 C ATOM 816 CD GLU A 56 1.062 14.221 -12.784 1.00 0.00 C ATOM 817 OE1 GLU A 56 1.133 13.397 -13.720 1.00 0.00 O ATOM 818 OE2 GLU A 56 -0.019 14.605 -12.290 1.00 0.00 O ATOM 0 H GLU A 56 3.881 12.266 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 56 1.769 14.256 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.086 14.184 -11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.272 12.871 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.128 15.666 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.992 15.107 -13.041 1.00 0.00 H new ATOM 825 N LYS A 57 0.970 11.633 -9.215 1.00 0.00 N ATOM 826 CA LYS A 57 0.082 10.484 -9.297 1.00 0.00 C ATOM 827 C LYS A 57 -0.874 10.441 -8.108 1.00 0.00 C ATOM 828 O LYS A 57 -2.069 10.195 -8.271 1.00 0.00 O ATOM 829 CB LYS A 57 0.892 9.188 -9.366 1.00 0.00 C ATOM 830 CG LYS A 57 0.249 8.115 -10.231 1.00 0.00 C ATOM 831 CD LYS A 57 1.288 7.334 -11.020 1.00 0.00 C ATOM 832 CE LYS A 57 0.996 5.842 -11.006 1.00 0.00 C ATOM 833 NZ LYS A 57 1.194 5.224 -12.346 1.00 0.00 N ATOM 0 H LYS A 57 1.173 11.941 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.510 10.582 -10.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.885 9.410 -9.756 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.025 8.798 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.319 7.431 -9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.459 8.577 -10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.308 7.692 -12.049 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.277 7.516 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.646 5.352 -10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.030 5.676 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.985 4.207 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.556 5.674 -13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.180 5.359 -12.649 1.00 0.00 H new ATOM 847 N MET A 58 -0.343 10.682 -6.911 1.00 0.00 N ATOM 848 CA MET A 58 -1.155 10.671 -5.697 1.00 0.00 C ATOM 849 C MET A 58 -1.645 9.259 -5.386 1.00 0.00 C ATOM 850 O MET A 58 -2.832 8.961 -5.514 1.00 0.00 O ATOM 851 CB MET A 58 -2.350 11.617 -5.850 1.00 0.00 C ATOM 852 CG MET A 58 -2.859 12.176 -4.533 1.00 0.00 C ATOM 853 SD MET A 58 -2.057 13.728 -4.084 1.00 0.00 S ATOM 854 CE MET A 58 -2.633 14.799 -5.398 1.00 0.00 C ATOM 0 H MET A 58 0.644 10.887 -6.756 1.00 0.00 H new ATOM 0 HA MET A 58 -0.534 11.012 -4.869 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.066 12.444 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.162 11.085 -6.347 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.935 12.334 -4.601 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.693 11.443 -3.743 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.666 15.828 -5.040 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.952 14.732 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.631 14.490 -5.708 1.00 0.00 H new ATOM 864 N MET A 59 -0.723 8.391 -4.984 1.00 0.00 N ATOM 865 CA MET A 59 -1.066 7.009 -4.665 1.00 0.00 C ATOM 866 C MET A 59 0.046 6.336 -3.860 1.00 0.00 C ATOM 867 O MET A 59 1.208 6.733 -3.942 1.00 0.00 O ATOM 868 CB MET A 59 -1.347 6.221 -5.951 1.00 0.00 C ATOM 869 CG MET A 59 -0.551 6.690 -7.159 1.00 0.00 C ATOM 870 SD MET A 59 0.419 5.373 -7.920 1.00 0.00 S ATOM 871 CE MET A 59 2.061 6.090 -7.882 1.00 0.00 C ATOM 0 H MET A 59 0.265 8.618 -4.871 1.00 0.00 H new ATOM 0 HA MET A 59 -1.967 7.017 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 59 -1.128 5.168 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 59 -2.410 6.291 -6.181 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.235 7.104 -7.900 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.117 7.497 -6.856 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.806 5.298 -7.959 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.177 6.779 -8.719 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.201 6.630 -6.945 1.00 0.00 H new ATOM 881 N LEU A 60 -0.318 5.316 -3.081 1.00 0.00 N ATOM 882 CA LEU A 60 0.654 4.589 -2.263 1.00 0.00 C ATOM 883 C LEU A 60 0.301 3.104 -2.168 1.00 0.00 C ATOM 884 O LEU A 60 -0.842 2.711 -2.400 1.00 0.00 O ATOM 885 CB LEU A 60 0.737 5.195 -0.859 1.00 0.00 C ATOM 886 CG LEU A 60 -0.551 5.842 -0.349 1.00 0.00 C ATOM 887 CD1 LEU A 60 -0.520 5.970 1.165 1.00 0.00 C ATOM 888 CD2 LEU A 60 -0.752 7.202 -0.998 1.00 0.00 C ATOM 0 H LEU A 60 -1.276 4.975 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 60 1.626 4.680 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.032 4.412 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.528 5.944 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.391 5.203 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.445 6.433 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.420 4.981 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.327 6.589 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.673 7.650 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.091 7.849 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.818 7.083 -2.079 1.00 0.00 H new ATOM 900 N ARG A 61 1.292 2.285 -1.817 1.00 0.00 N ATOM 901 CA ARG A 61 1.094 0.842 -1.681 1.00 0.00 C ATOM 902 C ARG A 61 1.760 0.317 -0.414 1.00 0.00 C ATOM 903 O ARG A 61 2.840 0.768 -0.038 1.00 0.00 O ATOM 904 CB ARG A 61 1.643 0.091 -2.899 1.00 0.00 C ATOM 905 CG ARG A 61 3.133 -0.213 -2.826 1.00 0.00 C ATOM 906 CD ARG A 61 3.567 -1.155 -3.937 1.00 0.00 C ATOM 907 NE ARG A 61 4.943 -1.612 -3.760 1.00 0.00 N ATOM 908 CZ ARG A 61 5.543 -2.489 -4.562 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.891 -3.006 -5.596 1.00 0.00 N ATOM 910 NH2 ARG A 61 6.797 -2.850 -4.330 1.00 0.00 N ATOM 0 H ARG A 61 2.243 2.597 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 61 0.020 0.666 -1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.098 -0.846 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.448 0.681 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.698 0.716 -2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.367 -0.658 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.899 -2.016 -3.964 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.474 -0.650 -4.898 1.00 0.00 H new ATOM 0 HE ARG A 61 5.476 -1.237 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.926 -2.732 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.355 -3.678 -6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.303 -2.456 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.256 -3.522 -4.945 1.00 0.00 H new ATOM 924 N LEU A 62 1.123 -0.654 0.222 1.00 0.00 N ATOM 925 CA LEU A 62 1.670 -1.259 1.430 1.00 0.00 C ATOM 926 C LEU A 62 2.179 -2.653 1.127 1.00 0.00 C ATOM 927 O LEU A 62 1.524 -3.443 0.448 1.00 0.00 O ATOM 928 CB LEU A 62 0.640 -1.293 2.564 1.00 0.00 C ATOM 929 CG LEU A 62 -0.632 -0.468 2.341 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.820 -1.127 3.025 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.441 0.952 2.853 1.00 0.00 C ATOM 0 H LEU A 62 0.228 -1.041 -0.077 1.00 0.00 H new ATOM 0 HA LEU A 62 2.502 -0.642 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.351 -2.330 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.122 -0.942 3.476 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.833 -0.424 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.715 -0.528 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.969 -2.125 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.629 -1.200 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.354 1.524 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.217 0.927 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.385 1.423 2.320 1.00 0.00 H new ATOM 943 N ILE A 63 3.373 -2.925 1.618 1.00 0.00 N ATOM 944 CA ILE A 63 4.032 -4.195 1.399 1.00 0.00 C ATOM 945 C ILE A 63 3.660 -5.220 2.470 1.00 0.00 C ATOM 946 O ILE A 63 3.688 -4.926 3.660 1.00 0.00 O ATOM 947 CB ILE A 63 5.555 -3.973 1.375 1.00 0.00 C ATOM 948 CG1 ILE A 63 6.056 -3.837 -0.062 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.275 -5.083 2.096 1.00 0.00 C ATOM 950 CD1 ILE A 63 6.342 -2.405 -0.453 1.00 0.00 C ATOM 0 H ILE A 63 3.913 -2.268 2.181 1.00 0.00 H new ATOM 0 HA ILE A 63 3.699 -4.597 0.442 1.00 0.00 H new ATOM 0 HB ILE A 63 5.771 -3.042 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.963 -4.429 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.312 -4.252 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.349 -4.901 2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.944 -5.118 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.054 -6.035 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.694 -2.373 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.431 -1.814 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.108 -1.994 0.205 1.00 0.00 H new ATOM 962 N GLY A 64 3.328 -6.433 2.032 1.00 0.00 N ATOM 963 CA GLY A 64 2.965 -7.491 2.962 1.00 0.00 C ATOM 964 C GLY A 64 4.176 -8.169 3.580 1.00 0.00 C ATOM 965 O GLY A 64 4.174 -9.380 3.780 1.00 0.00 O ATOM 0 H GLY A 64 3.304 -6.702 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.343 -7.075 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.363 -8.236 2.442 1.00 0.00 H new ATOM 969 N LYS A 65 5.202 -7.370 3.881 1.00 0.00 N ATOM 970 CA LYS A 65 6.455 -7.843 4.480 1.00 0.00 C ATOM 971 C LYS A 65 6.909 -9.196 3.927 1.00 0.00 C ATOM 972 O LYS A 65 6.102 -10.076 3.637 1.00 0.00 O ATOM 973 CB LYS A 65 6.351 -7.908 6.006 1.00 0.00 C ATOM 974 CG LYS A 65 5.002 -8.378 6.524 1.00 0.00 C ATOM 975 CD LYS A 65 4.836 -9.884 6.376 1.00 0.00 C ATOM 976 CE LYS A 65 4.831 -10.580 7.728 1.00 0.00 C ATOM 977 NZ LYS A 65 4.384 -11.996 7.623 1.00 0.00 N ATOM 0 H LYS A 65 5.187 -6.364 3.714 1.00 0.00 H new ATOM 0 HA LYS A 65 7.213 -7.110 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.124 -8.578 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.559 -6.919 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.899 -8.102 7.573 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.206 -7.869 5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.905 -10.099 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.645 -10.282 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.832 -10.547 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.174 -10.042 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.395 -12.434 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.419 -12.028 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.026 -12.517 6.992 1.00 0.00 H new ATOM 991 N VAL A 66 8.219 -9.355 3.784 1.00 0.00 N ATOM 992 CA VAL A 66 8.784 -10.583 3.273 1.00 0.00 C ATOM 993 C VAL A 66 9.830 -11.157 4.220 1.00 0.00 C ATOM 994 O VAL A 66 9.669 -11.109 5.440 1.00 0.00 O ATOM 995 CB VAL A 66 9.378 -10.387 1.877 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.451 -11.727 1.154 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.568 -9.381 1.073 1.00 0.00 C ATOM 0 H VAL A 66 8.908 -8.640 4.018 1.00 0.00 H new ATOM 0 HA VAL A 66 7.967 -11.301 3.198 1.00 0.00 H new ATOM 0 HB VAL A 66 10.387 -9.987 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.875 -11.582 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.081 -12.412 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.449 -12.147 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.013 -9.262 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.544 -9.739 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.566 -8.421 1.588 1.00 0.00 H new ATOM 1311 N ARG A 86 2.095 -7.215 -1.888 1.00 0.00 N ATOM 1312 CA ARG A 86 1.759 -5.863 -1.463 1.00 0.00 C ATOM 1313 C ARG A 86 0.437 -5.401 -2.078 1.00 0.00 C ATOM 1314 O ARG A 86 -0.125 -6.073 -2.943 1.00 0.00 O ATOM 1315 CB ARG A 86 2.901 -4.911 -1.827 1.00 0.00 C ATOM 1316 CG ARG A 86 2.900 -4.440 -3.271 1.00 0.00 C ATOM 1317 CD ARG A 86 3.049 -5.600 -4.242 1.00 0.00 C ATOM 1318 NE ARG A 86 1.756 -6.081 -4.724 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.572 -7.273 -5.288 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.594 -8.106 -5.442 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.364 -7.632 -5.698 1.00 0.00 N ATOM 0 HA ARG A 86 1.628 -5.858 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.851 -4.039 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.849 -5.408 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.972 -3.908 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.714 -3.732 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.658 -5.287 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.580 -6.416 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 86 0.947 -5.468 -4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.525 -7.834 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.448 -9.018 -5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.424 -6.995 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.223 -8.545 -6.130 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.052 -4.251 -1.623 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.305 -3.694 -2.121 1.00 0.00 C ATOM 1337 C HIS A 87 -1.104 -2.243 -2.528 1.00 0.00 C ATOM 1338 O HIS A 87 -0.554 -1.449 -1.766 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.400 -3.790 -1.054 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.347 -5.050 -0.245 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.442 -5.480 0.666 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -3.307 -6.037 -0.325 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -1.868 -6.706 1.115 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -2.995 -7.019 0.503 1.00 0.00 N flip ATOM 0 H HIS A 87 0.403 -3.685 -0.907 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.617 -4.270 -2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.317 -2.935 -0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.374 -3.721 -1.539 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.177 -6.012 -0.964 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.363 -7.315 1.850 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.534 -7.874 0.645 1.00 0.00 H new ATOM 1353 N MET A 88 -1.535 -1.906 -3.735 1.00 0.00 N ATOM 1354 CA MET A 88 -1.379 -0.551 -4.246 1.00 0.00 C ATOM 1355 C MET A 88 -2.706 0.205 -4.240 1.00 0.00 C ATOM 1356 O MET A 88 -3.725 -0.291 -4.720 1.00 0.00 O ATOM 1357 CB MET A 88 -0.762 -0.612 -5.651 1.00 0.00 C ATOM 1358 CG MET A 88 -1.394 0.318 -6.686 1.00 0.00 C ATOM 1359 SD MET A 88 -2.822 -0.418 -7.511 1.00 0.00 S ATOM 1360 CE MET A 88 -2.528 0.062 -9.216 1.00 0.00 C ATOM 0 H MET A 88 -1.995 -2.551 -4.378 1.00 0.00 H new ATOM 0 HA MET A 88 -0.708 0.004 -3.591 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.299 -0.374 -5.574 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.833 -1.636 -6.016 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.700 1.243 -6.197 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.646 0.584 -7.433 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.455 0.430 -9.655 1.00 0.00 H new ATOM 0 HE2 MET A 88 -1.774 0.848 -9.248 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.176 -0.801 -9.781 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.671 1.411 -3.682 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.852 2.261 -3.590 1.00 0.00 C ATOM 1372 C PHE A 89 -3.690 3.508 -4.453 1.00 0.00 C ATOM 1373 O PHE A 89 -2.573 3.897 -4.793 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.080 2.683 -2.136 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.992 1.773 -1.367 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.558 0.526 -0.948 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.281 2.171 -1.054 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -5.394 -0.308 -0.231 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -7.122 1.342 -0.339 1.00 0.00 C ATOM 1380 CZ PHE A 89 -6.679 0.100 0.074 1.00 0.00 C ATOM 0 H PHE A 89 -1.828 1.824 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.709 1.691 -3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.117 2.728 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.495 3.691 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.555 0.202 -1.184 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.632 3.141 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.044 -1.278 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.125 1.664 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.335 -0.550 0.634 1.00 0.00 H new ATOM 1390 N SER A 90 -4.808 4.143 -4.785 1.00 0.00 N ATOM 1391 CA SER A 90 -4.789 5.362 -5.585 1.00 0.00 C ATOM 1392 C SER A 90 -5.491 6.486 -4.834 1.00 0.00 C ATOM 1393 O SER A 90 -6.683 6.399 -4.541 1.00 0.00 O ATOM 1394 CB SER A 90 -5.463 5.131 -6.939 1.00 0.00 C ATOM 1395 OG SER A 90 -4.911 5.976 -7.934 1.00 0.00 O ATOM 0 H SER A 90 -5.741 3.833 -4.512 1.00 0.00 H new ATOM 0 HA SER A 90 -3.751 5.645 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.343 4.089 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.534 5.317 -6.852 1.00 0.00 H new ATOM 0 HG SER A 90 -5.357 5.808 -8.790 1.00 0.00 H new ATOM 1401 N PHE A 91 -4.743 7.533 -4.512 1.00 0.00 N ATOM 1402 CA PHE A 91 -5.295 8.665 -3.779 1.00 0.00 C ATOM 1403 C PHE A 91 -5.634 9.818 -4.714 1.00 0.00 C ATOM 1404 O PHE A 91 -5.064 9.946 -5.797 1.00 0.00 O ATOM 1405 CB PHE A 91 -4.306 9.132 -2.709 1.00 0.00 C ATOM 1406 CG PHE A 91 -4.223 8.211 -1.525 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -3.931 6.867 -1.695 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -4.439 8.689 -0.243 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -3.855 6.017 -0.608 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -4.366 7.843 0.848 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.073 6.506 0.666 1.00 0.00 C ATOM 0 H PHE A 91 -3.754 7.622 -4.746 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.217 8.337 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.316 9.225 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.596 10.125 -2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.761 6.479 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.667 9.734 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.626 4.972 -0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.538 8.228 1.842 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.014 5.844 1.517 1.00 0.00 H new ATOM 1421 N ASN A 92 -6.568 10.659 -4.283 1.00 0.00 N ATOM 1422 CA ASN A 92 -6.986 11.808 -5.073 1.00 0.00 C ATOM 1423 C ASN A 92 -6.799 13.101 -4.283 1.00 0.00 C ATOM 1424 O ASN A 92 -7.496 14.089 -4.511 1.00 0.00 O ATOM 1425 CB ASN A 92 -8.449 11.654 -5.497 1.00 0.00 C ATOM 1426 CG ASN A 92 -8.661 10.473 -6.427 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -8.353 10.542 -7.616 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.190 9.379 -5.887 1.00 0.00 N ATOM 0 H ASN A 92 -7.050 10.565 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.363 11.857 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.070 11.531 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.779 12.567 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.355 8.554 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.431 9.365 -4.896 1.00 0.00 H new ATOM 1435 N ASN A 93 -5.847 13.082 -3.352 1.00 0.00 N ATOM 1436 CA ASN A 93 -5.556 14.247 -2.524 1.00 0.00 C ATOM 1437 C ASN A 93 -4.226 14.066 -1.796 1.00 0.00 C ATOM 1438 O ASN A 93 -3.923 12.983 -1.297 1.00 0.00 O ATOM 1439 CB ASN A 93 -6.684 14.478 -1.514 1.00 0.00 C ATOM 1440 CG ASN A 93 -7.342 15.833 -1.683 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -7.161 16.731 -0.861 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -8.112 15.988 -2.754 1.00 0.00 N ATOM 0 H ASN A 93 -5.263 12.269 -3.153 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.482 15.120 -3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.435 13.696 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.286 14.394 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.581 16.878 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.234 15.217 -3.410 1.00 0.00 H new ATOM 1449 N ARG A 94 -3.433 15.132 -1.747 1.00 0.00 N ATOM 1450 CA ARG A 94 -2.132 15.087 -1.088 1.00 0.00 C ATOM 1451 C ARG A 94 -2.276 14.882 0.417 1.00 0.00 C ATOM 1452 O ARG A 94 -1.602 14.036 1.004 1.00 0.00 O ATOM 1453 CB ARG A 94 -1.354 16.375 -1.366 1.00 0.00 C ATOM 1454 CG ARG A 94 -2.062 17.630 -0.883 1.00 0.00 C ATOM 1455 CD ARG A 94 -1.490 18.879 -1.535 1.00 0.00 C ATOM 1456 NE ARG A 94 -0.085 19.081 -1.192 1.00 0.00 N ATOM 1457 CZ ARG A 94 0.728 19.903 -1.852 1.00 0.00 C ATOM 1458 NH1 ARG A 94 0.281 20.600 -2.889 1.00 0.00 N ATOM 1459 NH2 ARG A 94 1.993 20.029 -1.474 1.00 0.00 N ATOM 0 H ARG A 94 -3.668 16.037 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.583 14.238 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.378 16.311 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.176 16.458 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -3.126 17.557 -1.106 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.968 17.708 0.200 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.591 18.802 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.068 19.748 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 94 0.296 18.562 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.691 20.508 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.909 21.228 -3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.343 19.496 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.616 20.659 -1.980 1.00 0.00 H new ATOM 1473 N THR A 95 -3.152 15.665 1.039 1.00 0.00 N ATOM 1474 CA THR A 95 -3.373 15.571 2.478 1.00 0.00 C ATOM 1475 C THR A 95 -3.896 14.194 2.867 1.00 0.00 C ATOM 1476 O THR A 95 -3.563 13.675 3.931 1.00 0.00 O ATOM 1477 CB THR A 95 -4.352 16.652 2.938 1.00 0.00 C ATOM 1478 OG1 THR A 95 -4.135 17.859 2.230 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.251 16.961 4.416 1.00 0.00 C ATOM 0 H THR A 95 -3.720 16.371 0.570 1.00 0.00 H new ATOM 0 HA THR A 95 -2.414 15.724 2.974 1.00 0.00 H new ATOM 0 HB THR A 95 -5.344 16.249 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.772 18.537 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.972 17.736 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.463 16.060 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.245 17.310 4.647 1.00 0.00 H new ATOM 1487 N VAL A 96 -4.712 13.602 2.003 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.267 12.283 2.271 1.00 0.00 C ATOM 1489 C VAL A 96 -4.155 11.251 2.418 1.00 0.00 C ATOM 1490 O VAL A 96 -4.125 10.489 3.384 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.229 11.837 1.151 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.733 10.420 1.397 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -7.394 12.810 1.036 1.00 0.00 C ATOM 0 H VAL A 96 -5.002 14.013 1.116 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.826 12.352 3.204 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.681 11.839 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.409 10.130 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.887 9.733 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.263 10.382 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.065 12.482 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.938 12.840 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.015 13.805 0.804 1.00 0.00 H new ATOM 1503 N MET A 97 -3.243 11.234 1.454 1.00 0.00 N ATOM 1504 CA MET A 97 -2.130 10.298 1.478 1.00 0.00 C ATOM 1505 C MET A 97 -1.168 10.632 2.611 1.00 0.00 C ATOM 1506 O MET A 97 -0.692 9.743 3.314 1.00 0.00 O ATOM 1507 CB MET A 97 -1.389 10.315 0.140 1.00 0.00 C ATOM 1508 CG MET A 97 -0.902 11.694 -0.273 1.00 0.00 C ATOM 1509 SD MET A 97 0.096 11.658 -1.774 1.00 0.00 S ATOM 1510 CE MET A 97 1.343 10.454 -1.322 1.00 0.00 C ATOM 0 H MET A 97 -3.254 11.858 0.647 1.00 0.00 H new ATOM 0 HA MET A 97 -2.531 9.299 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.535 9.641 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 97 -2.049 9.925 -0.635 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.761 12.347 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.316 12.126 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 97 2.317 10.788 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 97 1.371 10.349 -0.237 1.00 0.00 H new ATOM 0 HE3 MET A 97 1.101 9.492 -1.774 1.00 0.00 H new ATOM 1520 N ASP A 98 -0.885 11.919 2.782 1.00 0.00 N ATOM 1521 CA ASP A 98 0.025 12.368 3.829 1.00 0.00 C ATOM 1522 C ASP A 98 -0.565 12.139 5.214 1.00 0.00 C ATOM 1523 O ASP A 98 0.144 11.738 6.135 1.00 0.00 O ATOM 1524 CB ASP A 98 0.361 13.848 3.642 1.00 0.00 C ATOM 1525 CG ASP A 98 1.787 14.172 4.040 1.00 0.00 C ATOM 1526 OD1 ASP A 98 2.716 13.743 3.323 1.00 0.00 O ATOM 1527 OD2 ASP A 98 1.976 14.854 5.069 1.00 0.00 O ATOM 0 H ASP A 98 -1.272 12.669 2.209 1.00 0.00 H new ATOM 0 HA ASP A 98 0.939 11.780 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.206 14.124 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.325 14.451 4.236 1.00 0.00 H new ATOM 1532 N ASN A 99 -1.861 12.401 5.364 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.517 12.223 6.654 1.00 0.00 C ATOM 1534 C ASN A 99 -2.378 10.783 7.136 1.00 0.00 C ATOM 1535 O ASN A 99 -1.954 10.536 8.265 1.00 0.00 O ATOM 1536 CB ASN A 99 -3.997 12.600 6.553 1.00 0.00 C ATOM 1537 CG ASN A 99 -4.236 14.075 6.807 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.258 14.628 6.164 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -3.511 14.711 7.573 1.00 0.00 N flip ATOM 0 H ASN A 99 -2.471 12.733 4.617 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.032 12.879 7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.369 12.340 5.562 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -4.569 12.013 7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.737 14.246 8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.685 15.703 7.734 1.00 0.00 H new ATOM 1546 N ILE A 100 -2.714 9.832 6.271 1.00 0.00 N ATOM 1547 CA ILE A 100 -2.593 8.427 6.617 1.00 0.00 C ATOM 1548 C ILE A 100 -1.135 7.983 6.569 1.00 0.00 C ATOM 1549 O ILE A 100 -0.691 7.202 7.406 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.445 7.521 5.707 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -4.931 7.723 6.009 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.044 6.061 5.874 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -5.836 6.801 5.226 1.00 0.00 C ATOM 0 H ILE A 100 -3.070 10.010 5.332 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.971 8.322 7.634 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.265 7.797 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.101 7.568 7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.201 8.756 5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.658 5.438 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.994 5.939 5.608 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.193 5.759 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.875 7.000 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.694 6.972 4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.593 5.765 5.463 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.391 8.485 5.582 1.00 0.00 N ATOM 1566 CA LYS A 101 1.017 8.127 5.441 1.00 0.00 C ATOM 1567 C LYS A 101 1.750 8.402 6.738 1.00 0.00 C ATOM 1568 O LYS A 101 2.462 7.545 7.259 1.00 0.00 O ATOM 1569 CB LYS A 101 1.666 8.898 4.287 1.00 0.00 C ATOM 1570 CG LYS A 101 3.168 8.687 4.177 1.00 0.00 C ATOM 1571 CD LYS A 101 3.724 9.293 2.899 1.00 0.00 C ATOM 1572 CE LYS A 101 5.227 9.503 2.989 1.00 0.00 C ATOM 1573 NZ LYS A 101 5.819 9.859 1.670 1.00 0.00 N ATOM 0 H LYS A 101 -0.738 9.134 4.876 1.00 0.00 H new ATOM 0 HA LYS A 101 1.082 7.063 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.196 8.596 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.466 9.962 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.663 9.135 5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.389 7.620 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.497 8.640 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.233 10.247 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.440 10.294 3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.698 8.595 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.845 9.994 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.638 9.093 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.388 10.739 1.322 1.00 0.00 H new ATOM 1587 N MET A 102 1.544 9.595 7.266 1.00 0.00 N ATOM 1588 CA MET A 102 2.160 9.984 8.527 1.00 0.00 C ATOM 1589 C MET A 102 1.691 9.051 9.635 1.00 0.00 C ATOM 1590 O MET A 102 2.440 8.730 10.558 1.00 0.00 O ATOM 1591 CB MET A 102 1.816 11.434 8.874 1.00 0.00 C ATOM 1592 CG MET A 102 0.350 11.671 9.202 1.00 0.00 C ATOM 1593 SD MET A 102 0.101 13.114 10.255 1.00 0.00 S ATOM 1594 CE MET A 102 -0.314 12.330 11.811 1.00 0.00 C ATOM 0 H MET A 102 0.955 10.313 6.843 1.00 0.00 H new ATOM 0 HA MET A 102 3.243 9.907 8.427 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.421 11.744 9.726 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.096 12.072 8.035 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.210 11.801 8.276 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.055 10.789 9.698 1.00 0.00 H new ATOM 0 HE1 MET A 102 -0.497 13.094 12.566 1.00 0.00 H new ATOM 0 HE2 MET A 102 -1.210 11.723 11.685 1.00 0.00 H new ATOM 0 HE3 MET A 102 0.512 11.695 12.130 1.00 0.00 H new ATOM 1604 N THR A 103 0.443 8.611 9.519 1.00 0.00 N ATOM 1605 CA THR A 103 -0.147 7.706 10.482 1.00 0.00 C ATOM 1606 C THR A 103 0.497 6.331 10.365 1.00 0.00 C ATOM 1607 O THR A 103 0.988 5.778 11.347 1.00 0.00 O ATOM 1608 CB THR A 103 -1.658 7.612 10.229 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.364 8.524 11.049 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.233 6.240 10.471 1.00 0.00 C ATOM 0 H THR A 103 -0.181 8.874 8.756 1.00 0.00 H new ATOM 0 HA THR A 103 0.024 8.083 11.490 1.00 0.00 H new ATOM 0 HB THR A 103 -1.779 7.851 9.172 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.323 8.328 11.006 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.304 6.254 10.271 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.750 5.521 9.809 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.061 5.951 11.508 1.00 0.00 H new ATOM 1618 N LEU A 104 0.492 5.796 9.148 1.00 0.00 N ATOM 1619 CA LEU A 104 1.073 4.490 8.877 1.00 0.00 C ATOM 1620 C LEU A 104 2.567 4.508 9.131 1.00 0.00 C ATOM 1621 O LEU A 104 3.146 3.522 9.584 1.00 0.00 O ATOM 1622 CB LEU A 104 0.777 4.064 7.437 1.00 0.00 C ATOM 1623 CG LEU A 104 -0.410 3.107 7.277 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.364 3.599 6.192 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.083 1.701 6.963 1.00 0.00 C ATOM 0 H LEU A 104 0.088 6.252 8.330 1.00 0.00 H new ATOM 0 HA LEU A 104 0.621 3.764 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.588 4.957 6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.667 3.588 7.024 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.958 3.080 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.198 2.903 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.743 4.585 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.834 3.661 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.771 1.032 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.656 1.715 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.717 1.348 7.776 1.00 0.00 H new ATOM 1637 N GLN A 105 3.182 5.641 8.848 1.00 0.00 N ATOM 1638 CA GLN A 105 4.608 5.806 9.054 1.00 0.00 C ATOM 1639 C GLN A 105 4.969 5.525 10.508 1.00 0.00 C ATOM 1640 O GLN A 105 6.042 5.002 10.804 1.00 0.00 O ATOM 1641 CB GLN A 105 5.007 7.227 8.684 1.00 0.00 C ATOM 1642 CG GLN A 105 5.759 7.329 7.367 1.00 0.00 C ATOM 1643 CD GLN A 105 7.249 7.529 7.560 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.696 8.603 7.962 1.00 0.00 O ATOM 1645 NE2 GLN A 105 8.027 6.491 7.274 1.00 0.00 N ATOM 0 H GLN A 105 2.713 6.465 8.473 1.00 0.00 H new ATOM 0 HA GLN A 105 5.146 5.100 8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.110 7.844 8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.628 7.639 9.479 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.590 6.423 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.357 8.160 6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.613 5.619 6.943 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.038 6.566 7.385 1.00 0.00 H new ATOM 1654 N GLN A 106 4.059 5.875 11.412 1.00 0.00 N ATOM 1655 CA GLN A 106 4.278 5.653 12.830 1.00 0.00 C ATOM 1656 C GLN A 106 4.033 4.198 13.189 1.00 0.00 C ATOM 1657 O GLN A 106 4.816 3.584 13.913 1.00 0.00 O ATOM 1658 CB GLN A 106 3.376 6.564 13.664 1.00 0.00 C ATOM 1659 CG GLN A 106 4.022 7.047 14.952 1.00 0.00 C ATOM 1660 CD GLN A 106 5.196 7.973 14.704 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.202 8.743 13.743 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.199 7.904 15.572 1.00 0.00 N ATOM 0 H GLN A 106 3.166 6.312 11.185 1.00 0.00 H new ATOM 0 HA GLN A 106 5.317 5.894 13.055 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.092 7.428 13.064 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.458 6.029 13.906 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.277 7.565 15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.359 6.186 15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.152 7.251 16.354 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.016 8.504 15.456 1.00 0.00 H new ATOM 1671 N ILE A 107 2.943 3.650 12.668 1.00 0.00 N ATOM 1672 CA ILE A 107 2.593 2.267 12.923 1.00 0.00 C ATOM 1673 C ILE A 107 3.647 1.350 12.325 1.00 0.00 C ATOM 1674 O ILE A 107 4.168 0.461 12.997 1.00 0.00 O ATOM 1675 CB ILE A 107 1.214 1.913 12.341 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.285 3.129 12.379 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.609 0.749 13.111 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.177 2.790 12.204 1.00 0.00 C ATOM 0 H ILE A 107 2.287 4.147 12.065 1.00 0.00 H new ATOM 0 HA ILE A 107 2.549 2.129 14.003 1.00 0.00 H new ATOM 0 HB ILE A 107 1.338 1.616 11.300 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.417 3.645 13.330 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.582 3.825 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.367 0.504 12.693 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.265 -0.118 13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.496 1.026 14.159 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.770 3.704 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.325 2.302 11.240 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.493 2.119 13.003 1.00 0.00 H new ATOM 1690 N ILE A 108 3.988 1.599 11.062 1.00 0.00 N ATOM 1691 CA ILE A 108 5.016 0.821 10.387 1.00 0.00 C ATOM 1692 C ILE A 108 6.278 0.839 11.227 1.00 0.00 C ATOM 1693 O ILE A 108 6.983 -0.161 11.354 1.00 0.00 O ATOM 1694 CB ILE A 108 5.304 1.380 8.976 1.00 0.00 C ATOM 1695 CG1 ILE A 108 5.665 0.242 8.021 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.409 2.428 9.001 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.974 -0.435 8.363 1.00 0.00 C ATOM 0 H ILE A 108 3.567 2.331 10.490 1.00 0.00 H new ATOM 0 HA ILE A 108 4.664 -0.204 10.269 1.00 0.00 H new ATOM 0 HB ILE A 108 4.398 1.869 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.867 -0.500 8.033 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.721 0.634 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.583 2.798 7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.111 3.256 9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 108 7.325 1.981 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.169 -1.232 7.646 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.782 0.295 8.323 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.915 -0.856 9.367 1.00 0.00 H new ATOM 1709 N SER A 109 6.522 1.994 11.824 1.00 0.00 N ATOM 1710 CA SER A 109 7.669 2.176 12.697 1.00 0.00 C ATOM 1711 C SER A 109 7.491 1.331 13.952 1.00 0.00 C ATOM 1712 O SER A 109 8.452 0.776 14.484 1.00 0.00 O ATOM 1713 CB SER A 109 7.831 3.651 13.071 1.00 0.00 C ATOM 1714 OG SER A 109 8.741 4.301 12.201 1.00 0.00 O ATOM 0 H SER A 109 5.938 2.823 11.719 1.00 0.00 H new ATOM 0 HA SER A 109 8.569 1.857 12.172 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.862 4.149 13.027 1.00 0.00 H new ATOM 0 HB3 SER A 109 8.185 3.732 14.099 1.00 0.00 H new ATOM 0 HG SER A 109 8.247 4.724 11.468 1.00 0.00 H new ATOM 1720 N ARG A 110 6.243 1.230 14.413 1.00 0.00 N ATOM 1721 CA ARG A 110 5.929 0.441 15.598 1.00 0.00 C ATOM 1722 C ARG A 110 6.172 -1.041 15.334 1.00 0.00 C ATOM 1723 O ARG A 110 6.792 -1.732 16.142 1.00 0.00 O ATOM 1724 CB ARG A 110 4.473 0.657 16.017 1.00 0.00 C ATOM 1725 CG ARG A 110 4.147 2.093 16.394 1.00 0.00 C ATOM 1726 CD ARG A 110 3.160 2.153 17.548 1.00 0.00 C ATOM 1727 NE ARG A 110 2.865 3.528 17.946 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.124 4.366 17.225 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.600 3.973 16.070 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.905 5.599 17.660 1.00 0.00 N ATOM 0 H ARG A 110 5.438 1.685 13.983 1.00 0.00 H new ATOM 0 HA ARG A 110 6.583 0.769 16.406 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.821 0.349 15.200 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.249 0.009 16.865 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.063 2.615 16.669 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.731 2.612 15.530 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.235 1.653 17.260 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.566 1.608 18.400 1.00 0.00 H new ATOM 0 HE ARG A 110 3.250 3.865 18.828 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.765 3.025 15.732 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.033 4.619 15.521 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.304 5.905 18.547 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.337 6.241 17.108 1.00 0.00 H new ATOM 1744 N TYR A 111 5.677 -1.522 14.197 1.00 0.00 N ATOM 1745 CA TYR A 111 5.840 -2.922 13.825 1.00 0.00 C ATOM 1746 C TYR A 111 7.298 -3.230 13.498 1.00 0.00 C ATOM 1747 O TYR A 111 7.752 -4.365 13.649 1.00 0.00 O ATOM 1748 CB TYR A 111 4.951 -3.261 12.627 1.00 0.00 C ATOM 1749 CG TYR A 111 3.502 -3.491 12.995 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.626 -2.424 13.155 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.013 -4.777 13.186 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.303 -2.633 13.494 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.691 -4.993 13.523 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.841 -3.919 13.676 1.00 0.00 C ATOM 1755 OH TYR A 111 -0.476 -4.132 14.011 1.00 0.00 O ATOM 0 H TYR A 111 5.160 -0.963 13.518 1.00 0.00 H new ATOM 0 HA TYR A 111 5.539 -3.536 14.674 1.00 0.00 H new ATOM 0 HB2 TYR A 111 5.009 -2.450 11.901 1.00 0.00 H new ATOM 0 HB3 TYR A 111 5.339 -4.154 12.138 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.985 -1.416 13.012 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.677 -5.621 13.069 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.635 -1.794 13.616 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.325 -5.999 13.666 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.046 -3.517 13.504 1.00 0.00 H new ATOM 1765 N LYS A 112 8.029 -2.213 13.053 1.00 0.00 N ATOM 1766 CA LYS A 112 9.436 -2.375 12.709 1.00 0.00 C ATOM 1767 C LYS A 112 10.314 -2.280 13.953 1.00 0.00 C ATOM 1768 O LYS A 112 11.379 -2.893 14.021 1.00 0.00 O ATOM 1769 CB LYS A 112 9.860 -1.316 11.690 1.00 0.00 C ATOM 1770 CG LYS A 112 11.001 -1.760 10.789 1.00 0.00 C ATOM 1771 CD LYS A 112 10.497 -2.187 9.419 1.00 0.00 C ATOM 1772 CE LYS A 112 10.465 -1.019 8.448 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.844 -1.432 7.068 1.00 0.00 N ATOM 0 H LYS A 112 7.669 -1.267 12.922 1.00 0.00 H new ATOM 0 HA LYS A 112 9.565 -3.364 12.269 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.001 -1.054 11.072 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.158 -0.412 12.221 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.716 -0.945 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.533 -2.588 11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.140 -2.973 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.497 -2.610 9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.465 -0.585 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.146 -0.241 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.810 -0.606 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.808 -1.823 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.180 -2.156 6.727 1.00 0.00 H new ATOM 1787 N ASP A 113 9.859 -1.509 14.936 1.00 0.00 N ATOM 1788 CA ASP A 113 10.604 -1.335 16.178 1.00 0.00 C ATOM 1789 C ASP A 113 10.333 -2.487 17.140 1.00 0.00 C ATOM 1790 O ASP A 113 11.251 -3.016 17.766 1.00 0.00 O ATOM 1791 CB ASP A 113 10.234 -0.006 16.837 1.00 0.00 C ATOM 1792 CG ASP A 113 11.226 0.404 17.908 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.345 0.826 17.550 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.883 0.302 19.105 1.00 0.00 O ATOM 0 H ASP A 113 8.979 -0.995 14.897 1.00 0.00 H new ATOM 0 HA ASP A 113 11.667 -1.329 15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.183 0.772 16.076 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.240 -0.086 17.278 1.00 0.00 H new ATOM 1799 N ALA A 114 9.065 -2.870 17.254 1.00 0.00 N ATOM 1800 CA ALA A 114 8.673 -3.958 18.141 1.00 0.00 C ATOM 1801 C ALA A 114 9.347 -5.265 17.738 1.00 0.00 C ATOM 1802 O ALA A 114 9.968 -5.935 18.563 1.00 0.00 O ATOM 1803 CB ALA A 114 7.160 -4.120 18.139 1.00 0.00 C ATOM 0 H ALA A 114 8.292 -2.443 16.743 1.00 0.00 H new ATOM 0 HA ALA A 114 9.000 -3.707 19.150 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.881 -4.936 18.806 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.695 -3.196 18.482 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.819 -4.344 17.128 1.00 0.00 H new ATOM 1809 N ASP A 115 9.220 -5.623 16.464 1.00 0.00 N ATOM 1810 CA ASP A 115 9.817 -6.850 15.951 1.00 0.00 C ATOM 1811 C ASP A 115 11.331 -6.837 16.133 1.00 0.00 C ATOM 1812 O ASP A 115 11.884 -5.750 16.403 1.00 0.00 O ATOM 1813 CB ASP A 115 9.471 -7.031 14.472 1.00 0.00 C ATOM 1814 CG ASP A 115 8.087 -7.616 14.269 1.00 0.00 C ATOM 1815 OD1 ASP A 115 7.233 -7.446 15.165 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.857 -8.244 13.214 1.00 0.00 O ATOM 1817 OXT ASP A 115 11.951 -7.913 16.005 1.00 0.00 O ATOM 0 H ASP A 115 8.709 -5.080 15.768 1.00 0.00 H new ATOM 0 HA ASP A 115 9.409 -7.687 16.518 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.533 -6.067 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 115 10.210 -7.683 14.006 1.00 0.00 H new ATOM 2088 N PHE B 475 2.974 1.120 -11.748 1.00 0.00 N ATOM 2089 CA PHE B 475 2.834 1.849 -10.499 1.00 0.00 C ATOM 2090 C PHE B 475 3.970 1.494 -9.551 1.00 0.00 C ATOM 2091 O PHE B 475 4.365 2.306 -8.716 1.00 0.00 O ATOM 2092 CB PHE B 475 1.457 1.600 -9.852 1.00 0.00 C ATOM 2093 CG PHE B 475 1.309 0.313 -9.077 1.00 0.00 C ATOM 2094 CD1 PHE B 475 2.140 -0.004 -8.012 1.00 0.00 C ATOM 2095 CD2 PHE B 475 0.308 -0.573 -9.416 1.00 0.00 C ATOM 2096 CE1 PHE B 475 1.971 -1.183 -7.310 1.00 0.00 C ATOM 2097 CE2 PHE B 475 0.133 -1.752 -8.720 1.00 0.00 C ATOM 2098 CZ PHE B 475 0.966 -2.059 -7.666 1.00 0.00 C ATOM 0 HA PHE B 475 2.894 2.915 -10.717 1.00 0.00 H new ATOM 0 HB2 PHE B 475 1.238 2.431 -9.182 1.00 0.00 H new ATOM 0 HB3 PHE B 475 0.701 1.616 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE B 475 2.928 0.678 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -0.350 -0.340 -10.240 1.00 0.00 H new ATOM 0 HE1 PHE B 475 2.625 -1.418 -6.483 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -0.656 -2.433 -9.001 1.00 0.00 H new ATOM 0 HZ PHE B 475 0.833 -2.982 -7.121 1.00 0.00 H new ATOM 2108 N GLU B 476 4.493 0.275 -9.684 1.00 0.00 N ATOM 2109 CA GLU B 476 5.581 -0.177 -8.828 1.00 0.00 C ATOM 2110 C GLU B 476 6.843 0.639 -9.047 1.00 0.00 C ATOM 2111 O GLU B 476 7.640 0.815 -8.126 1.00 0.00 O ATOM 2112 CB GLU B 476 5.870 -1.655 -9.045 1.00 0.00 C ATOM 2113 CG GLU B 476 4.620 -2.510 -9.122 1.00 0.00 C ATOM 2114 CD GLU B 476 4.888 -3.967 -8.801 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.631 -4.617 -9.565 1.00 0.00 O ATOM 2116 OE2 GLU B 476 4.354 -4.458 -7.784 1.00 0.00 O ATOM 0 H GLU B 476 4.181 -0.410 -10.372 1.00 0.00 H new ATOM 0 HA GLU B 476 5.258 -0.031 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU B 476 6.440 -1.774 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU B 476 6.499 -2.017 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU B 476 3.875 -2.120 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU B 476 4.194 -2.435 -10.123 1.00 0.00 H new ATOM 2123 N GLN B 477 7.023 1.155 -10.255 1.00 0.00 N ATOM 2124 CA GLN B 477 8.200 1.968 -10.545 1.00 0.00 C ATOM 2125 C GLN B 477 8.168 3.230 -9.698 1.00 0.00 C ATOM 2126 O GLN B 477 9.200 3.698 -9.217 1.00 0.00 O ATOM 2127 CB GLN B 477 8.291 2.297 -12.042 1.00 0.00 C ATOM 2128 CG GLN B 477 7.311 3.365 -12.510 1.00 0.00 C ATOM 2129 CD GLN B 477 8.003 4.635 -12.971 1.00 0.00 C ATOM 2130 OE1 GLN B 477 9.058 5.027 -12.265 1.00 0.00 O flip ATOM 2131 NE2 GLN B 477 7.593 5.257 -13.950 1.00 0.00 N flip ATOM 0 H GLN B 477 6.383 1.030 -11.039 1.00 0.00 H new ATOM 0 HA GLN B 477 9.095 1.400 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN B 477 9.305 2.627 -12.269 1.00 0.00 H new ATOM 0 HB3 GLN B 477 8.117 1.385 -12.614 1.00 0.00 H new ATOM 0 HG2 GLN B 477 6.709 2.967 -13.327 1.00 0.00 H new ATOM 0 HG3 GLN B 477 6.626 3.604 -11.697 1.00 0.00 H new ATOM 0 HE21 GLN B 477 6.779 4.920 -14.464 1.00 0.00 H new ATOM 0 HE22 GLN B 477 8.067 6.109 -14.248 1.00 0.00 H new ATOM 2140 N MET B 478 6.967 3.739 -9.472 1.00 0.00 N ATOM 2141 CA MET B 478 6.782 4.904 -8.627 1.00 0.00 C ATOM 2142 C MET B 478 6.433 4.432 -7.219 1.00 0.00 C ATOM 2143 O MET B 478 6.286 5.231 -6.294 1.00 0.00 O ATOM 2144 CB MET B 478 5.671 5.801 -9.178 1.00 0.00 C ATOM 2145 CG MET B 478 5.840 6.143 -10.651 1.00 0.00 C ATOM 2146 SD MET B 478 5.881 7.921 -10.955 1.00 0.00 S ATOM 2147 CE MET B 478 4.487 8.465 -9.972 1.00 0.00 C ATOM 0 H MET B 478 6.105 3.361 -9.864 1.00 0.00 H new ATOM 0 HA MET B 478 7.701 5.489 -8.605 1.00 0.00 H new ATOM 0 HB2 MET B 478 4.711 5.305 -9.036 1.00 0.00 H new ATOM 0 HB3 MET B 478 5.641 6.725 -8.600 1.00 0.00 H new ATOM 0 HG2 MET B 478 6.762 5.694 -11.020 1.00 0.00 H new ATOM 0 HG3 MET B 478 5.021 5.701 -11.218 1.00 0.00 H new ATOM 0 HE1 MET B 478 3.798 9.031 -10.599 1.00 0.00 H new ATOM 0 HE2 MET B 478 3.973 7.597 -9.559 1.00 0.00 H new ATOM 0 HE3 MET B 478 4.841 9.099 -9.159 1.00 0.00 H new ATOM 2157 N PHE B 479 6.303 3.109 -7.081 1.00 0.00 N ATOM 2158 CA PHE B 479 5.970 2.484 -5.814 1.00 0.00 C ATOM 2159 C PHE B 479 7.118 1.629 -5.290 1.00 0.00 C ATOM 2160 O PHE B 479 6.916 0.786 -4.416 1.00 0.00 O ATOM 2161 CB PHE B 479 4.716 1.622 -5.964 1.00 0.00 C ATOM 2162 CG PHE B 479 3.433 2.377 -5.735 1.00 0.00 C ATOM 2163 CD1 PHE B 479 3.422 3.763 -5.653 1.00 0.00 C ATOM 2164 CD2 PHE B 479 2.238 1.699 -5.595 1.00 0.00 C ATOM 2165 CE1 PHE B 479 2.246 4.447 -5.435 1.00 0.00 C ATOM 2166 CE2 PHE B 479 1.058 2.380 -5.376 1.00 0.00 C ATOM 2167 CZ PHE B 479 1.063 3.754 -5.295 1.00 0.00 C ATOM 0 H PHE B 479 6.427 2.449 -7.848 1.00 0.00 H new ATOM 0 HA PHE B 479 5.784 3.281 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.700 1.190 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE B 479 4.770 0.792 -5.260 1.00 0.00 H new ATOM 0 HD1 PHE B 479 4.346 4.311 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE B 479 2.227 0.621 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE B 479 2.251 5.525 -5.374 1.00 0.00 H new ATOM 0 HE2 PHE B 479 0.132 1.835 -5.268 1.00 0.00 H new ATOM 0 HZ PHE B 479 0.141 4.289 -5.122 1.00 0.00 H new ATOM 2177 N THR B 480 8.325 1.848 -5.808 1.00 0.00 N ATOM 2178 CA THR B 480 9.474 1.089 -5.356 1.00 0.00 C ATOM 2179 C THR B 480 10.521 2.029 -4.770 1.00 0.00 C ATOM 2180 O THR B 480 11.233 2.724 -5.495 1.00 0.00 O ATOM 2181 CB THR B 480 10.071 0.277 -6.509 1.00 0.00 C ATOM 2182 OG1 THR B 480 9.159 -0.714 -6.948 1.00 0.00 O ATOM 2183 CG2 THR B 480 11.365 -0.423 -6.148 1.00 0.00 C ATOM 0 H THR B 480 8.525 2.538 -6.532 1.00 0.00 H new ATOM 0 HA THR B 480 9.151 0.394 -4.581 1.00 0.00 H new ATOM 0 HB THR B 480 10.278 1.004 -7.294 1.00 0.00 H new ATOM 0 HG1 THR B 480 8.297 -0.296 -7.156 1.00 0.00 H new ATOM 0 HG21 THR B 480 11.731 -0.979 -7.011 1.00 0.00 H new ATOM 0 HG22 THR B 480 12.108 0.317 -5.851 1.00 0.00 H new ATOM 0 HG23 THR B 480 11.188 -1.111 -5.322 1.00 0.00 H new ATOM 2191 N ASP B 481 10.589 2.043 -3.440 1.00 0.00 N ATOM 2192 CA ASP B 481 11.525 2.894 -2.712 1.00 0.00 C ATOM 2193 C ASP B 481 11.546 4.309 -3.284 1.00 0.00 C ATOM 2194 O ASP B 481 12.487 4.697 -3.977 1.00 0.00 O ATOM 2195 CB ASP B 481 12.930 2.291 -2.747 1.00 0.00 C ATOM 2196 CG ASP B 481 13.761 2.690 -1.543 1.00 0.00 C ATOM 2197 OD1 ASP B 481 13.510 3.778 -0.983 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.662 1.915 -1.160 1.00 0.00 O ATOM 0 H ASP B 481 9.999 1.467 -2.840 1.00 0.00 H new ATOM 0 HA ASP B 481 11.189 2.952 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP B 481 12.855 1.204 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP B 481 13.437 2.611 -3.657 1.00 0.00 H new ATOM 2203 N ALA B 482 10.501 5.075 -2.987 1.00 0.00 N ATOM 2204 CA ALA B 482 10.397 6.447 -3.469 1.00 0.00 C ATOM 2205 C ALA B 482 10.562 7.444 -2.328 1.00 0.00 C ATOM 2206 O ALA B 482 11.057 8.553 -2.525 1.00 0.00 O ATOM 2207 CB ALA B 482 9.062 6.659 -4.168 1.00 0.00 C ATOM 0 H ALA B 482 9.714 4.768 -2.415 1.00 0.00 H new ATOM 0 HA ALA B 482 11.202 6.617 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA B 482 8.997 7.687 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA B 482 8.982 5.977 -5.014 1.00 0.00 H new ATOM 0 HB3 ALA B 482 8.250 6.465 -3.468 1.00 0.00 H new