USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 35 SER OG : rot 180:sc= -0.265 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 HIS :FLIP no HD1:sc= 0.724 F(o=-3.3,f=1.6) USER MOD Set 2.2: A 33 CYS SG : rot 57:sc= 0.853 USER MOD Set 3.1: A 28 MET CE :methyl -144:sc= -2.1 (180deg=-0.595) USER MOD Set 3.2: A 45 CYS SG : rot 82:sc= -2.94! USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= -1.58! USER MOD Set 4.2: A 7 MET CE :methyl 180:sc= -0.11 (180deg=-0.11) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.171 (180deg=-0.633) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00645 (180deg=-0.178) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0663) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0.0822 K(o=0.082,f=-14!) USER MOD Single : A 15 MET CE :methyl 160:sc= -0.0235 (180deg=-0.222) USER MOD Single : A 19 THR OG1 : rot -82:sc= -0.247 USER MOD Single : A 25 ASN : amide:sc= 0.0004 X(o=0.0004,f=-0.29) USER MOD Single : A 26 ASN : amide:sc= 0.592 K(o=0.59,f=-0.13) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.00301 USER MOD Single : A 37 MET CE :methyl -106:sc= -0.779 (180deg=-3.32!) USER MOD Single : A 40 SER OG : rot -116:sc= 1.22 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 170:sc= 0.461 (180deg=0.392) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc=-0.00368 (180deg=-0.0723) USER MOD Single : A 60 ASN : amide:sc= 0.329 K(o=0.33,f=-6.3!) USER MOD Single : A 62 TYR OH : rot 178:sc= -1.18! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= 1.17 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.553 0.681 7.052 1.00 72.01 N ATOM 2 CA MET A 1 12.208 0.137 6.714 1.00 44.03 C ATOM 3 C MET A 1 12.080 -0.138 5.207 1.00 54.25 C ATOM 4 O MET A 1 11.912 0.785 4.413 1.00 41.33 O ATOM 5 CB MET A 1 11.102 1.115 7.154 1.00 75.02 C ATOM 6 CG MET A 1 11.051 1.369 8.656 1.00 21.04 C ATOM 7 SD MET A 1 9.797 2.584 9.115 1.00 11.03 S ATOM 8 CE MET A 1 8.307 1.797 8.503 1.00 45.15 C ATOM 0 H1 MET A 1 13.678 0.682 8.084 1.00 72.01 H new ATOM 0 H2 MET A 1 14.287 0.088 6.615 1.00 72.01 H new ATOM 0 H3 MET A 1 13.634 1.654 6.693 1.00 72.01 H new ATOM 0 HA MET A 1 12.091 -0.805 7.251 1.00 44.03 H new ATOM 0 HB2 MET A 1 11.249 2.066 6.641 1.00 75.02 H new ATOM 0 HB3 MET A 1 10.137 0.724 6.830 1.00 75.02 H new ATOM 0 HG2 MET A 1 10.848 0.431 9.172 1.00 21.04 H new ATOM 0 HG3 MET A 1 12.027 1.715 8.995 1.00 21.04 H new ATOM 0 HE1 MET A 1 7.436 2.248 8.978 1.00 45.15 H new ATOM 0 HE2 MET A 1 8.242 1.931 7.423 1.00 45.15 H new ATOM 0 HE3 MET A 1 8.336 0.732 8.735 1.00 45.15 H new ATOM 20 N LYS A 2 12.180 -1.405 4.815 1.00 34.14 N ATOM 21 CA LYS A 2 11.979 -1.795 3.416 1.00 33.41 C ATOM 22 C LYS A 2 10.615 -2.486 3.271 1.00 71.13 C ATOM 23 O LYS A 2 10.430 -3.608 3.742 1.00 71.44 O ATOM 24 CB LYS A 2 13.120 -2.726 2.949 1.00 71.00 C ATOM 25 CG LYS A 2 13.352 -2.754 1.430 1.00 54.24 C ATOM 26 CD LYS A 2 12.188 -3.378 0.652 1.00 1.54 C ATOM 27 CE LYS A 2 12.005 -4.861 0.968 1.00 43.14 C ATOM 28 NZ LYS A 2 13.146 -5.684 0.483 1.00 40.21 N ATOM 0 H LYS A 2 12.398 -2.180 5.442 1.00 34.14 H new ATOM 0 HA LYS A 2 11.993 -0.906 2.786 1.00 33.41 H new ATOM 0 HB2 LYS A 2 14.044 -2.417 3.437 1.00 71.00 H new ATOM 0 HB3 LYS A 2 12.904 -3.739 3.288 1.00 71.00 H new ATOM 0 HG2 LYS A 2 13.513 -1.736 1.075 1.00 54.24 H new ATOM 0 HG3 LYS A 2 14.263 -3.314 1.219 1.00 54.24 H new ATOM 0 HD2 LYS A 2 11.268 -2.843 0.888 1.00 1.54 H new ATOM 0 HD3 LYS A 2 12.362 -3.256 -0.417 1.00 1.54 H new ATOM 0 HE2 LYS A 2 11.898 -4.991 2.045 1.00 43.14 H new ATOM 0 HE3 LYS A 2 11.082 -5.217 0.510 1.00 43.14 H new ATOM 0 HZ1 LYS A 2 12.919 -6.693 0.596 1.00 40.21 H new ATOM 0 HZ2 LYS A 2 13.320 -5.479 -0.522 1.00 40.21 H new ATOM 0 HZ3 LYS A 2 13.998 -5.456 1.035 1.00 40.21 H new ATOM 42 N ILE A 3 9.669 -1.813 2.622 1.00 2.13 N ATOM 43 CA ILE A 3 8.299 -2.325 2.499 1.00 51.33 C ATOM 44 C ILE A 3 8.257 -3.654 1.725 1.00 11.25 C ATOM 45 O ILE A 3 8.858 -3.780 0.658 1.00 4.23 O ATOM 46 CB ILE A 3 7.378 -1.295 1.793 1.00 13.32 C ATOM 47 CG1 ILE A 3 7.434 0.064 2.516 1.00 4.04 C ATOM 48 CG2 ILE A 3 5.938 -1.810 1.717 1.00 41.12 C ATOM 49 CD1 ILE A 3 6.991 0.012 3.964 1.00 53.45 C ATOM 0 H ILE A 3 9.822 -0.911 2.171 1.00 2.13 H new ATOM 0 HA ILE A 3 7.937 -2.498 3.512 1.00 51.33 H new ATOM 0 HB ILE A 3 7.740 -1.158 0.774 1.00 13.32 H new ATOM 0 HG12 ILE A 3 8.454 0.445 2.473 1.00 4.04 H new ATOM 0 HG13 ILE A 3 6.805 0.775 1.980 1.00 4.04 H new ATOM 0 HG21 ILE A 3 5.313 -1.070 1.218 1.00 41.12 H new ATOM 0 HG22 ILE A 3 5.915 -2.743 1.154 1.00 41.12 H new ATOM 0 HG23 ILE A 3 5.560 -1.984 2.725 1.00 41.12 H new ATOM 0 HD11 ILE A 3 7.060 1.008 4.401 1.00 53.45 H new ATOM 0 HD12 ILE A 3 5.960 -0.337 4.017 1.00 53.45 H new ATOM 0 HD13 ILE A 3 7.634 -0.672 4.517 1.00 53.45 H new ATOM 61 N THR A 4 7.552 -4.644 2.275 1.00 75.43 N ATOM 62 CA THR A 4 7.402 -5.960 1.626 1.00 15.52 C ATOM 63 C THR A 4 5.925 -6.288 1.391 1.00 55.51 C ATOM 64 O THR A 4 5.041 -5.692 2.005 1.00 0.24 O ATOM 65 CB THR A 4 8.011 -7.101 2.480 1.00 55.25 C ATOM 66 OG1 THR A 4 7.237 -7.291 3.673 1.00 3.54 O ATOM 67 CG2 THR A 4 9.460 -6.802 2.855 1.00 21.33 C ATOM 0 H THR A 4 7.072 -4.565 3.172 1.00 75.43 H new ATOM 0 HA THR A 4 7.934 -5.894 0.677 1.00 15.52 H new ATOM 0 HB THR A 4 7.992 -8.011 1.881 1.00 55.25 H new ATOM 0 HG1 THR A 4 7.628 -8.015 4.205 1.00 3.54 H new ATOM 0 HG21 THR A 4 9.857 -7.622 3.454 1.00 21.33 H new ATOM 0 HG22 THR A 4 10.055 -6.693 1.948 1.00 21.33 H new ATOM 0 HG23 THR A 4 9.503 -5.878 3.431 1.00 21.33 H new ATOM 75 N LYS A 5 5.654 -7.257 0.516 1.00 34.33 N ATOM 76 CA LYS A 5 4.273 -7.674 0.249 1.00 52.34 C ATOM 77 C LYS A 5 3.673 -8.439 1.444 1.00 3.42 C ATOM 78 O LYS A 5 2.459 -8.622 1.532 1.00 74.11 O ATOM 79 CB LYS A 5 4.184 -8.525 -1.030 1.00 73.10 C ATOM 80 CG LYS A 5 5.012 -9.814 -1.002 1.00 13.22 C ATOM 81 CD LYS A 5 6.382 -9.643 -1.656 1.00 41.21 C ATOM 82 CE LYS A 5 7.149 -10.961 -1.704 1.00 32.32 C ATOM 83 NZ LYS A 5 8.487 -10.809 -2.331 1.00 21.20 N ATOM 0 H LYS A 5 6.362 -7.764 -0.015 1.00 34.33 H new ATOM 0 HA LYS A 5 3.688 -6.767 0.099 1.00 52.34 H new ATOM 0 HB2 LYS A 5 3.140 -8.784 -1.205 1.00 73.10 H new ATOM 0 HB3 LYS A 5 4.509 -7.919 -1.876 1.00 73.10 H new ATOM 0 HG2 LYS A 5 5.144 -10.135 0.031 1.00 13.22 H new ATOM 0 HG3 LYS A 5 4.464 -10.605 -1.514 1.00 13.22 H new ATOM 0 HD2 LYS A 5 6.257 -9.257 -2.668 1.00 41.21 H new ATOM 0 HD3 LYS A 5 6.961 -8.904 -1.102 1.00 41.21 H new ATOM 0 HE2 LYS A 5 7.266 -11.348 -0.692 1.00 32.32 H new ATOM 0 HE3 LYS A 5 6.570 -11.697 -2.262 1.00 32.32 H new ATOM 0 HZ1 LYS A 5 8.972 -11.729 -2.342 1.00 21.20 H new ATOM 0 HZ2 LYS A 5 8.376 -10.464 -3.306 1.00 21.20 H new ATOM 0 HZ3 LYS A 5 9.051 -10.127 -1.785 1.00 21.20 H new ATOM 97 N ASP A 6 4.533 -8.872 2.364 1.00 64.24 N ATOM 98 CA ASP A 6 4.095 -9.570 3.578 1.00 62.24 C ATOM 99 C ASP A 6 3.561 -8.582 4.633 1.00 44.43 C ATOM 100 O ASP A 6 2.879 -8.973 5.586 1.00 42.20 O ATOM 101 CB ASP A 6 5.262 -10.387 4.151 1.00 20.45 C ATOM 102 CG ASP A 6 4.883 -11.156 5.406 1.00 31.54 C ATOM 103 OD1 ASP A 6 4.088 -12.116 5.303 1.00 25.41 O ATOM 104 OD2 ASP A 6 5.365 -10.798 6.502 1.00 63.14 O ATOM 0 H ASP A 6 5.543 -8.752 2.294 1.00 64.24 H new ATOM 0 HA ASP A 6 3.278 -10.241 3.314 1.00 62.24 H new ATOM 0 HB2 ASP A 6 5.615 -11.087 3.394 1.00 20.45 H new ATOM 0 HB3 ASP A 6 6.092 -9.717 4.378 1.00 20.45 H new ATOM 109 N MET A 7 3.867 -7.299 4.455 1.00 61.33 N ATOM 110 CA MET A 7 3.437 -6.262 5.401 1.00 31.42 C ATOM 111 C MET A 7 1.932 -5.970 5.298 1.00 12.33 C ATOM 112 O MET A 7 1.304 -6.186 4.257 1.00 54.52 O ATOM 113 CB MET A 7 4.249 -4.980 5.187 1.00 0.30 C ATOM 114 CG MET A 7 5.725 -5.139 5.529 1.00 44.24 C ATOM 115 SD MET A 7 6.673 -3.626 5.270 1.00 13.23 S ATOM 116 CE MET A 7 8.281 -4.132 5.877 1.00 43.41 C ATOM 0 H MET A 7 4.411 -6.949 3.666 1.00 61.33 H new ATOM 0 HA MET A 7 3.622 -6.640 6.406 1.00 31.42 H new ATOM 0 HB2 MET A 7 4.156 -4.668 4.147 1.00 0.30 H new ATOM 0 HB3 MET A 7 3.825 -4.183 5.798 1.00 0.30 H new ATOM 0 HG2 MET A 7 5.820 -5.448 6.570 1.00 44.24 H new ATOM 0 HG3 MET A 7 6.150 -5.937 4.920 1.00 44.24 H new ATOM 0 HE1 MET A 7 8.982 -3.303 5.784 1.00 43.41 H new ATOM 0 HE2 MET A 7 8.200 -4.423 6.924 1.00 43.41 H new ATOM 0 HE3 MET A 7 8.641 -4.979 5.292 1.00 43.41 H new ATOM 126 N ILE A 8 1.363 -5.486 6.398 1.00 73.42 N ATOM 127 CA ILE A 8 -0.072 -5.190 6.479 1.00 65.34 C ATOM 128 C ILE A 8 -0.400 -3.817 5.865 1.00 75.01 C ATOM 129 O ILE A 8 0.274 -2.825 6.150 1.00 4.31 O ATOM 130 CB ILE A 8 -0.554 -5.221 7.953 1.00 15.43 C ATOM 131 CG1 ILE A 8 -0.238 -6.581 8.600 1.00 71.44 C ATOM 132 CG2 ILE A 8 -2.049 -4.915 8.045 1.00 20.02 C ATOM 133 CD1 ILE A 8 -0.931 -7.757 7.940 1.00 44.31 C ATOM 0 H ILE A 8 1.877 -5.287 7.257 1.00 73.42 H new ATOM 0 HA ILE A 8 -0.593 -5.959 5.909 1.00 65.34 H new ATOM 0 HB ILE A 8 -0.016 -4.447 8.501 1.00 15.43 H new ATOM 0 HG12 ILE A 8 0.839 -6.744 8.569 1.00 71.44 H new ATOM 0 HG13 ILE A 8 -0.525 -6.547 9.651 1.00 71.44 H new ATOM 0 HG21 ILE A 8 -2.363 -4.943 9.089 1.00 20.02 H new ATOM 0 HG22 ILE A 8 -2.244 -3.924 7.634 1.00 20.02 H new ATOM 0 HG23 ILE A 8 -2.608 -5.659 7.478 1.00 20.02 H new ATOM 0 HD11 ILE A 8 -0.656 -8.677 8.455 1.00 44.31 H new ATOM 0 HD12 ILE A 8 -2.011 -7.620 7.994 1.00 44.31 H new ATOM 0 HD13 ILE A 8 -0.625 -7.820 6.896 1.00 44.31 H new ATOM 145 N ILE A 9 -1.444 -3.762 5.036 1.00 44.20 N ATOM 146 CA ILE A 9 -1.835 -2.515 4.357 1.00 52.41 C ATOM 147 C ILE A 9 -2.121 -1.376 5.353 1.00 31.33 C ATOM 148 O ILE A 9 -1.572 -0.278 5.225 1.00 31.52 O ATOM 149 CB ILE A 9 -3.074 -2.730 3.446 1.00 42.23 C ATOM 150 CG1 ILE A 9 -2.747 -3.745 2.336 1.00 15.45 C ATOM 151 CG2 ILE A 9 -3.545 -1.405 2.844 1.00 3.01 C ATOM 152 CD1 ILE A 9 -3.868 -3.949 1.334 1.00 23.02 C ATOM 0 H ILE A 9 -2.036 -4.563 4.816 1.00 44.20 H new ATOM 0 HA ILE A 9 -0.985 -2.224 3.740 1.00 52.41 H new ATOM 0 HB ILE A 9 -3.885 -3.129 4.056 1.00 42.23 H new ATOM 0 HG12 ILE A 9 -1.855 -3.412 1.805 1.00 15.45 H new ATOM 0 HG13 ILE A 9 -2.505 -4.704 2.795 1.00 15.45 H new ATOM 0 HG21 ILE A 9 -4.414 -1.582 2.210 1.00 3.01 H new ATOM 0 HG22 ILE A 9 -3.815 -0.717 3.645 1.00 3.01 H new ATOM 0 HG23 ILE A 9 -2.743 -0.971 2.247 1.00 3.01 H new ATOM 0 HD11 ILE A 9 -3.559 -4.678 0.585 1.00 23.02 H new ATOM 0 HD12 ILE A 9 -4.756 -4.314 1.851 1.00 23.02 H new ATOM 0 HD13 ILE A 9 -4.096 -3.002 0.845 1.00 23.02 H new ATOM 164 N ALA A 10 -2.970 -1.642 6.348 1.00 1.32 N ATOM 165 CA ALA A 10 -3.302 -0.638 7.369 1.00 74.43 C ATOM 166 C ALA A 10 -2.044 -0.120 8.084 1.00 40.43 C ATOM 167 O ALA A 10 -1.979 1.043 8.486 1.00 14.44 O ATOM 168 CB ALA A 10 -4.274 -1.214 8.390 1.00 11.12 C ATOM 0 H ALA A 10 -3.440 -2.539 6.471 1.00 1.32 H new ATOM 0 HA ALA A 10 -3.773 0.202 6.858 1.00 74.43 H new ATOM 0 HB1 ALA A 10 -4.508 -0.456 9.138 1.00 11.12 H new ATOM 0 HB2 ALA A 10 -5.190 -1.522 7.887 1.00 11.12 H new ATOM 0 HB3 ALA A 10 -3.820 -2.077 8.878 1.00 11.12 H new ATOM 174 N ASP A 11 -1.052 -0.995 8.238 1.00 21.22 N ATOM 175 CA ASP A 11 0.207 -0.632 8.894 1.00 64.22 C ATOM 176 C ASP A 11 1.008 0.350 8.027 1.00 60.12 C ATOM 177 O ASP A 11 1.521 1.354 8.521 1.00 0.43 O ATOM 178 CB ASP A 11 1.032 -1.893 9.180 1.00 72.45 C ATOM 179 CG ASP A 11 2.179 -1.624 10.135 1.00 4.43 C ATOM 180 OD1 ASP A 11 1.922 -1.104 11.240 1.00 41.32 O ATOM 181 OD2 ASP A 11 3.333 -1.957 9.802 1.00 74.24 O ATOM 0 H ASP A 11 -1.094 -1.962 7.918 1.00 21.22 H new ATOM 0 HA ASP A 11 -0.022 -0.140 9.839 1.00 64.22 H new ATOM 0 HB2 ASP A 11 0.384 -2.661 9.601 1.00 72.45 H new ATOM 0 HB3 ASP A 11 1.426 -2.287 8.243 1.00 72.45 H new ATOM 186 N VAL A 12 1.096 0.060 6.727 1.00 63.04 N ATOM 187 CA VAL A 12 1.740 0.973 5.773 1.00 41.21 C ATOM 188 C VAL A 12 1.044 2.347 5.778 1.00 43.40 C ATOM 189 O VAL A 12 1.691 3.393 5.676 1.00 14.42 O ATOM 190 CB VAL A 12 1.736 0.389 4.334 1.00 71.23 C ATOM 191 CG1 VAL A 12 2.455 1.321 3.359 1.00 44.21 C ATOM 192 CG2 VAL A 12 2.370 -1.004 4.317 1.00 24.15 C ATOM 0 H VAL A 12 0.732 -0.796 6.309 1.00 63.04 H new ATOM 0 HA VAL A 12 2.775 1.095 6.091 1.00 41.21 H new ATOM 0 HB VAL A 12 0.699 0.301 4.010 1.00 71.23 H new ATOM 0 HG11 VAL A 12 2.437 0.886 2.360 1.00 44.21 H new ATOM 0 HG12 VAL A 12 1.953 2.288 3.343 1.00 44.21 H new ATOM 0 HG13 VAL A 12 3.489 1.454 3.678 1.00 44.21 H new ATOM 0 HG21 VAL A 12 2.358 -1.397 3.300 1.00 24.15 H new ATOM 0 HG22 VAL A 12 3.400 -0.939 4.669 1.00 24.15 H new ATOM 0 HG23 VAL A 12 1.804 -1.669 4.970 1.00 24.15 H new ATOM 202 N LEU A 13 -0.282 2.333 5.923 1.00 44.32 N ATOM 203 CA LEU A 13 -1.070 3.567 6.039 1.00 63.10 C ATOM 204 C LEU A 13 -0.714 4.358 7.308 1.00 74.43 C ATOM 205 O LEU A 13 -0.814 5.584 7.328 1.00 53.02 O ATOM 206 CB LEU A 13 -2.571 3.249 6.039 1.00 21.41 C ATOM 207 CG LEU A 13 -3.123 2.679 4.722 1.00 13.11 C ATOM 208 CD1 LEU A 13 -4.617 2.389 4.843 1.00 0.43 C ATOM 209 CD2 LEU A 13 -2.844 3.637 3.568 1.00 71.44 C ATOM 0 H LEU A 13 -0.837 1.478 5.963 1.00 44.32 H new ATOM 0 HA LEU A 13 -0.827 4.184 5.174 1.00 63.10 H new ATOM 0 HB2 LEU A 13 -2.774 2.536 6.838 1.00 21.41 H new ATOM 0 HB3 LEU A 13 -3.119 4.161 6.279 1.00 21.41 H new ATOM 0 HG LEU A 13 -2.615 1.738 4.513 1.00 13.11 H new ATOM 0 HD11 LEU A 13 -4.987 1.986 3.900 1.00 0.43 H new ATOM 0 HD12 LEU A 13 -4.783 1.662 5.638 1.00 0.43 H new ATOM 0 HD13 LEU A 13 -5.149 3.311 5.077 1.00 0.43 H new ATOM 0 HD21 LEU A 13 -3.241 3.218 2.643 1.00 71.44 H new ATOM 0 HD22 LEU A 13 -3.323 4.596 3.767 1.00 71.44 H new ATOM 0 HD23 LEU A 13 -1.768 3.782 3.468 1.00 71.44 H new ATOM 221 N GLN A 14 -0.323 3.654 8.371 1.00 24.33 N ATOM 222 CA GLN A 14 0.096 4.308 9.619 1.00 33.25 C ATOM 223 C GLN A 14 1.460 4.993 9.452 1.00 41.41 C ATOM 224 O GLN A 14 1.753 5.992 10.114 1.00 33.43 O ATOM 225 CB GLN A 14 0.145 3.298 10.773 1.00 31.23 C ATOM 226 CG GLN A 14 -1.214 2.709 11.150 1.00 43.30 C ATOM 227 CD GLN A 14 -2.173 3.724 11.764 1.00 10.40 C ATOM 228 OE1 GLN A 14 -2.152 4.907 11.440 1.00 52.11 O ATOM 229 NE2 GLN A 14 -3.021 3.269 12.663 1.00 24.11 N ATOM 0 H GLN A 14 -0.286 2.635 8.397 1.00 24.33 H new ATOM 0 HA GLN A 14 -0.643 5.073 9.858 1.00 33.25 H new ATOM 0 HB2 GLN A 14 0.818 2.485 10.500 1.00 31.23 H new ATOM 0 HB3 GLN A 14 0.573 3.785 11.649 1.00 31.23 H new ATOM 0 HG2 GLN A 14 -1.674 2.280 10.260 1.00 43.30 H new ATOM 0 HG3 GLN A 14 -1.063 1.892 11.856 1.00 43.30 H new ATOM 0 HE21 GLN A 14 -3.017 2.280 12.914 1.00 24.11 H new ATOM 0 HE22 GLN A 14 -3.682 3.905 13.109 1.00 24.11 H new ATOM 238 N MET A 15 2.290 4.442 8.565 1.00 21.43 N ATOM 239 CA MET A 15 3.583 5.050 8.229 1.00 13.34 C ATOM 240 C MET A 15 3.364 6.385 7.509 1.00 0.32 C ATOM 241 O MET A 15 3.925 7.417 7.886 1.00 52.31 O ATOM 242 CB MET A 15 4.404 4.113 7.336 1.00 20.30 C ATOM 243 CG MET A 15 4.397 2.667 7.796 1.00 21.10 C ATOM 244 SD MET A 15 5.333 1.584 6.698 1.00 3.30 S ATOM 245 CE MET A 15 4.996 -0.018 7.430 1.00 72.22 C ATOM 0 H MET A 15 2.092 3.575 8.065 1.00 21.43 H new ATOM 0 HA MET A 15 4.132 5.224 9.155 1.00 13.34 H new ATOM 0 HB2 MET A 15 4.016 4.163 6.319 1.00 20.30 H new ATOM 0 HB3 MET A 15 5.434 4.469 7.302 1.00 20.30 H new ATOM 0 HG2 MET A 15 4.814 2.608 8.801 1.00 21.10 H new ATOM 0 HG3 MET A 15 3.367 2.314 7.857 1.00 21.10 H new ATOM 0 HE1 MET A 15 5.191 -0.801 6.697 1.00 72.22 H new ATOM 0 HE2 MET A 15 5.640 -0.164 8.297 1.00 72.22 H new ATOM 0 HE3 MET A 15 3.952 -0.064 7.741 1.00 72.22 H new ATOM 255 N ASP A 16 2.549 6.349 6.459 1.00 43.42 N ATOM 256 CA ASP A 16 2.144 7.570 5.763 1.00 64.53 C ATOM 257 C ASP A 16 0.797 7.382 5.048 1.00 61.32 C ATOM 258 O ASP A 16 0.569 6.372 4.377 1.00 22.24 O ATOM 259 CB ASP A 16 3.216 8.010 4.760 1.00 23.24 C ATOM 260 CG ASP A 16 3.002 9.440 4.303 1.00 21.20 C ATOM 261 OD1 ASP A 16 3.407 10.362 5.039 1.00 54.22 O ATOM 262 OD2 ASP A 16 2.412 9.653 3.230 1.00 74.10 O ATOM 0 H ASP A 16 2.156 5.491 6.071 1.00 43.42 H new ATOM 0 HA ASP A 16 2.028 8.351 6.514 1.00 64.53 H new ATOM 0 HB2 ASP A 16 4.202 7.917 5.216 1.00 23.24 H new ATOM 0 HB3 ASP A 16 3.201 7.346 3.896 1.00 23.24 H new ATOM 267 N ARG A 17 -0.087 8.370 5.183 1.00 2.32 N ATOM 268 CA ARG A 17 -1.427 8.311 4.582 1.00 2.43 C ATOM 269 C ARG A 17 -1.366 8.396 3.047 1.00 34.12 C ATOM 270 O ARG A 17 -2.261 7.910 2.349 1.00 74.42 O ATOM 271 CB ARG A 17 -2.300 9.455 5.126 1.00 52.10 C ATOM 272 CG ARG A 17 -2.318 9.559 6.653 1.00 65.41 C ATOM 273 CD ARG A 17 -2.801 8.270 7.316 1.00 40.11 C ATOM 274 NE ARG A 17 -2.854 8.389 8.773 1.00 32.25 N ATOM 275 CZ ARG A 17 -2.808 7.375 9.597 1.00 22.53 C ATOM 276 NH1 ARG A 17 -2.625 6.176 9.151 1.00 2.04 N ATOM 277 NH2 ARG A 17 -2.905 7.571 10.870 1.00 15.32 N ATOM 0 H ARG A 17 0.098 9.226 5.705 1.00 2.32 H new ATOM 0 HA ARG A 17 -1.866 7.351 4.851 1.00 2.43 H new ATOM 0 HB2 ARG A 17 -1.942 10.398 4.713 1.00 52.10 H new ATOM 0 HB3 ARG A 17 -3.321 9.318 4.770 1.00 52.10 H new ATOM 0 HG2 ARG A 17 -1.316 9.796 7.011 1.00 65.41 H new ATOM 0 HG3 ARG A 17 -2.966 10.383 6.951 1.00 65.41 H new ATOM 0 HD2 ARG A 17 -3.791 8.016 6.937 1.00 40.11 H new ATOM 0 HD3 ARG A 17 -2.136 7.451 7.043 1.00 40.11 H new ATOM 0 HE ARG A 17 -2.932 9.324 9.172 1.00 32.25 H new ATOM 0 HH11 ARG A 17 -2.515 6.016 8.150 1.00 2.04 H new ATOM 0 HH12 ARG A 17 -2.590 5.390 9.800 1.00 2.04 H new ATOM 0 HH21 ARG A 17 -3.018 8.517 11.233 1.00 15.32 H new ATOM 0 HH22 ARG A 17 -2.869 6.779 11.512 1.00 15.32 H new ATOM 291 N GLY A 18 -0.296 9.001 2.529 1.00 70.35 N ATOM 292 CA GLY A 18 -0.136 9.172 1.088 1.00 24.31 C ATOM 293 C GLY A 18 0.111 7.868 0.335 1.00 63.33 C ATOM 294 O GLY A 18 0.242 7.867 -0.891 1.00 41.41 O ATOM 0 H GLY A 18 0.470 9.379 3.086 1.00 70.35 H new ATOM 0 HA2 GLY A 18 -1.031 9.648 0.687 1.00 24.31 H new ATOM 0 HA3 GLY A 18 0.697 9.851 0.903 1.00 24.31 H new ATOM 298 N THR A 19 0.179 6.756 1.065 1.00 14.31 N ATOM 299 CA THR A 19 0.334 5.434 0.451 1.00 33.24 C ATOM 300 C THR A 19 -1.015 4.871 -0.023 1.00 41.55 C ATOM 301 O THR A 19 -1.064 4.026 -0.920 1.00 32.41 O ATOM 302 CB THR A 19 0.977 4.426 1.432 1.00 21.02 C ATOM 303 OG1 THR A 19 0.150 4.281 2.595 1.00 12.41 O ATOM 304 CG2 THR A 19 2.375 4.875 1.849 1.00 14.52 C ATOM 0 H THR A 19 0.129 6.742 2.084 1.00 14.31 H new ATOM 0 HA THR A 19 0.990 5.568 -0.409 1.00 33.24 H new ATOM 0 HB THR A 19 1.064 3.467 0.921 1.00 21.02 H new ATOM 0 HG1 THR A 19 0.327 5.018 3.216 1.00 12.41 H new ATOM 0 HG21 THR A 19 2.801 4.146 2.539 1.00 14.52 H new ATOM 0 HG22 THR A 19 3.010 4.954 0.967 1.00 14.52 H new ATOM 0 HG23 THR A 19 2.314 5.846 2.340 1.00 14.52 H new ATOM 312 N ALA A 20 -2.109 5.360 0.569 1.00 65.00 N ATOM 313 CA ALA A 20 -3.463 4.910 0.206 1.00 73.02 C ATOM 314 C ALA A 20 -3.753 5.058 -1.307 1.00 24.42 C ATOM 315 O ALA A 20 -4.183 4.095 -1.949 1.00 41.13 O ATOM 316 CB ALA A 20 -4.511 5.651 1.036 1.00 65.01 C ATOM 0 H ALA A 20 -2.087 6.068 1.303 1.00 65.00 H new ATOM 0 HA ALA A 20 -3.519 3.845 0.432 1.00 73.02 H new ATOM 0 HB1 ALA A 20 -5.507 5.307 0.756 1.00 65.01 H new ATOM 0 HB2 ALA A 20 -4.343 5.453 2.095 1.00 65.01 H new ATOM 0 HB3 ALA A 20 -4.431 6.722 0.850 1.00 65.01 H new ATOM 322 N PRO A 21 -3.522 6.252 -1.916 1.00 55.51 N ATOM 323 CA PRO A 21 -3.717 6.438 -3.368 1.00 51.12 C ATOM 324 C PRO A 21 -2.834 5.500 -4.209 1.00 60.45 C ATOM 325 O PRO A 21 -3.183 5.153 -5.337 1.00 10.22 O ATOM 326 CB PRO A 21 -3.337 7.912 -3.606 1.00 4.31 C ATOM 327 CG PRO A 21 -2.531 8.305 -2.412 1.00 42.13 C ATOM 328 CD PRO A 21 -3.078 7.503 -1.265 1.00 35.32 C ATOM 0 HA PRO A 21 -4.737 6.201 -3.670 1.00 51.12 H new ATOM 0 HB2 PRO A 21 -2.762 8.027 -4.525 1.00 4.31 H new ATOM 0 HB3 PRO A 21 -4.225 8.537 -3.705 1.00 4.31 H new ATOM 0 HG2 PRO A 21 -1.473 8.093 -2.568 1.00 42.13 H new ATOM 0 HG3 PRO A 21 -2.617 9.374 -2.217 1.00 42.13 H new ATOM 0 HD2 PRO A 21 -2.319 7.315 -0.505 1.00 35.32 H new ATOM 0 HD3 PRO A 21 -3.903 8.016 -0.771 1.00 35.32 H new ATOM 336 N ILE A 22 -1.698 5.082 -3.647 1.00 34.25 N ATOM 337 CA ILE A 22 -0.803 4.136 -4.323 1.00 20.42 C ATOM 338 C ILE A 22 -1.424 2.731 -4.366 1.00 23.24 C ATOM 339 O ILE A 22 -1.396 2.056 -5.400 1.00 12.43 O ATOM 340 CB ILE A 22 0.578 4.066 -3.630 1.00 30.30 C ATOM 341 CG1 ILE A 22 1.210 5.467 -3.569 1.00 54.50 C ATOM 342 CG2 ILE A 22 1.500 3.084 -4.358 1.00 43.12 C ATOM 343 CD1 ILE A 22 2.541 5.506 -2.853 1.00 34.11 C ATOM 0 H ILE A 22 -1.375 5.382 -2.727 1.00 34.25 H new ATOM 0 HA ILE A 22 -0.663 4.500 -5.341 1.00 20.42 H new ATOM 0 HB ILE A 22 0.440 3.703 -2.611 1.00 30.30 H new ATOM 0 HG12 ILE A 22 1.343 5.840 -4.585 1.00 54.50 H new ATOM 0 HG13 ILE A 22 0.519 6.146 -3.069 1.00 54.50 H new ATOM 0 HG21 ILE A 22 2.466 3.050 -3.854 1.00 43.12 H new ATOM 0 HG22 ILE A 22 1.052 2.090 -4.351 1.00 43.12 H new ATOM 0 HG23 ILE A 22 1.640 3.411 -5.388 1.00 43.12 H new ATOM 0 HD11 ILE A 22 2.923 6.527 -2.851 1.00 34.11 H new ATOM 0 HD12 ILE A 22 2.412 5.165 -1.826 1.00 34.11 H new ATOM 0 HD13 ILE A 22 3.249 4.854 -3.365 1.00 34.11 H new ATOM 355 N PHE A 23 -1.987 2.291 -3.236 1.00 75.24 N ATOM 356 CA PHE A 23 -2.745 1.038 -3.200 1.00 54.03 C ATOM 357 C PHE A 23 -3.885 1.079 -4.228 1.00 2.35 C ATOM 358 O PHE A 23 -4.038 0.168 -5.045 1.00 52.23 O ATOM 359 CB PHE A 23 -3.306 0.774 -1.790 1.00 74.13 C ATOM 360 CG PHE A 23 -2.252 0.415 -0.765 1.00 12.13 C ATOM 361 CD1 PHE A 23 -1.588 -0.802 -0.837 1.00 52.55 C ATOM 362 CD2 PHE A 23 -1.937 1.282 0.272 1.00 33.54 C ATOM 363 CE1 PHE A 23 -0.629 -1.144 0.097 1.00 62.23 C ATOM 364 CE2 PHE A 23 -0.978 0.944 1.209 1.00 52.10 C ATOM 365 CZ PHE A 23 -0.325 -0.270 1.122 1.00 14.25 C ATOM 0 H PHE A 23 -1.933 2.779 -2.342 1.00 75.24 H new ATOM 0 HA PHE A 23 -2.069 0.222 -3.454 1.00 54.03 H new ATOM 0 HB2 PHE A 23 -3.840 1.661 -1.451 1.00 74.13 H new ATOM 0 HB3 PHE A 23 -4.034 -0.035 -1.846 1.00 74.13 H new ATOM 0 HD1 PHE A 23 -1.824 -1.491 -1.634 1.00 52.55 H new ATOM 0 HD2 PHE A 23 -2.447 2.231 0.348 1.00 33.54 H new ATOM 0 HE1 PHE A 23 -0.118 -2.093 0.026 1.00 62.23 H new ATOM 0 HE2 PHE A 23 -0.740 1.629 2.009 1.00 52.10 H new ATOM 0 HZ PHE A 23 0.423 -0.535 1.855 1.00 14.25 H new ATOM 375 N ILE A 24 -4.671 2.157 -4.191 1.00 14.32 N ATOM 376 CA ILE A 24 -5.751 2.370 -5.166 1.00 21.25 C ATOM 377 C ILE A 24 -5.213 2.359 -6.610 1.00 54.35 C ATOM 378 O ILE A 24 -5.834 1.799 -7.514 1.00 23.50 O ATOM 379 CB ILE A 24 -6.480 3.716 -4.910 1.00 51.02 C ATOM 380 CG1 ILE A 24 -7.032 3.766 -3.474 1.00 73.10 C ATOM 381 CG2 ILE A 24 -7.605 3.930 -5.928 1.00 40.24 C ATOM 382 CD1 ILE A 24 -7.661 5.096 -3.108 1.00 21.43 C ATOM 0 H ILE A 24 -4.582 2.899 -3.497 1.00 14.32 H new ATOM 0 HA ILE A 24 -6.456 1.548 -5.041 1.00 21.25 H new ATOM 0 HB ILE A 24 -5.757 4.523 -5.030 1.00 51.02 H new ATOM 0 HG12 ILE A 24 -7.775 2.977 -3.352 1.00 73.10 H new ATOM 0 HG13 ILE A 24 -6.223 3.553 -2.776 1.00 73.10 H new ATOM 0 HG21 ILE A 24 -8.101 4.880 -5.728 1.00 40.24 H new ATOM 0 HG22 ILE A 24 -7.187 3.944 -6.935 1.00 40.24 H new ATOM 0 HG23 ILE A 24 -8.328 3.119 -5.847 1.00 40.24 H new ATOM 0 HD11 ILE A 24 -8.027 5.055 -2.082 1.00 21.43 H new ATOM 0 HD12 ILE A 24 -6.917 5.887 -3.197 1.00 21.43 H new ATOM 0 HD13 ILE A 24 -8.492 5.303 -3.782 1.00 21.43 H new ATOM 394 N ASN A 25 -4.039 2.965 -6.803 1.00 52.52 N ATOM 395 CA ASN A 25 -3.391 3.041 -8.123 1.00 1.51 C ATOM 396 C ASN A 25 -3.212 1.653 -8.752 1.00 40.33 C ATOM 397 O ASN A 25 -3.397 1.474 -9.958 1.00 33.14 O ATOM 398 CB ASN A 25 -2.019 3.717 -7.992 1.00 63.42 C ATOM 399 CG ASN A 25 -1.321 3.883 -9.328 1.00 34.13 C ATOM 400 OD1 ASN A 25 -1.951 4.161 -10.341 1.00 41.21 O ATOM 401 ND2 ASN A 25 -0.017 3.696 -9.349 1.00 44.41 N ATOM 0 H ASN A 25 -3.510 3.416 -6.056 1.00 52.52 H new ATOM 0 HA ASN A 25 -4.040 3.628 -8.773 1.00 1.51 H new ATOM 0 HB2 ASN A 25 -2.143 4.695 -7.527 1.00 63.42 H new ATOM 0 HB3 ASN A 25 -1.389 3.126 -7.328 1.00 63.42 H new ATOM 0 HD21 ASN A 25 0.496 3.782 -10.226 1.00 44.41 H new ATOM 0 HD22 ASN A 25 0.479 3.466 -8.488 1.00 44.41 H new ATOM 408 N ASN A 26 -2.853 0.677 -7.929 1.00 45.52 N ATOM 409 CA ASN A 26 -2.606 -0.685 -8.408 1.00 64.41 C ATOM 410 C ASN A 26 -3.885 -1.549 -8.393 1.00 22.41 C ATOM 411 O ASN A 26 -3.872 -2.695 -8.844 1.00 20.43 O ATOM 412 CB ASN A 26 -1.484 -1.328 -7.581 1.00 60.14 C ATOM 413 CG ASN A 26 -0.130 -0.698 -7.877 1.00 54.34 C ATOM 414 OD1 ASN A 26 0.625 -1.185 -8.711 1.00 11.32 O ATOM 415 ND2 ASN A 26 0.183 0.399 -7.211 1.00 32.12 N ATOM 0 H ASN A 26 -2.725 0.799 -6.924 1.00 45.52 H new ATOM 0 HA ASN A 26 -2.289 -0.627 -9.449 1.00 64.41 H new ATOM 0 HB2 ASN A 26 -1.709 -1.223 -6.520 1.00 60.14 H new ATOM 0 HB3 ASN A 26 -1.442 -2.396 -7.794 1.00 60.14 H new ATOM 0 HD21 ASN A 26 1.074 0.865 -7.385 1.00 32.12 H new ATOM 0 HD22 ASN A 26 -0.466 0.781 -6.523 1.00 32.12 H new ATOM 422 N GLY A 27 -4.995 -0.993 -7.895 1.00 65.43 N ATOM 423 CA GLY A 27 -6.278 -1.702 -7.959 1.00 10.10 C ATOM 424 C GLY A 27 -6.955 -1.962 -6.610 1.00 52.35 C ATOM 425 O GLY A 27 -8.028 -2.566 -6.567 1.00 71.33 O ATOM 0 H GLY A 27 -5.033 -0.075 -7.452 1.00 65.43 H new ATOM 0 HA2 GLY A 27 -6.961 -1.126 -8.584 1.00 10.10 H new ATOM 0 HA3 GLY A 27 -6.120 -2.659 -8.457 1.00 10.10 H new ATOM 429 N MET A 28 -6.353 -1.524 -5.508 1.00 25.22 N ATOM 430 CA MET A 28 -6.960 -1.717 -4.179 1.00 4.25 C ATOM 431 C MET A 28 -8.157 -0.774 -3.954 1.00 4.23 C ATOM 432 O MET A 28 -8.232 0.307 -4.541 1.00 35.14 O ATOM 433 CB MET A 28 -5.921 -1.492 -3.076 1.00 4.13 C ATOM 434 CG MET A 28 -4.783 -2.499 -3.085 1.00 12.43 C ATOM 435 SD MET A 28 -5.328 -4.163 -2.655 1.00 63.50 S ATOM 436 CE MET A 28 -3.770 -5.045 -2.694 1.00 54.31 C ATOM 0 H MET A 28 -5.456 -1.038 -5.499 1.00 25.22 H new ATOM 0 HA MET A 28 -7.321 -2.745 -4.138 1.00 4.25 H new ATOM 0 HB2 MET A 28 -5.506 -0.489 -3.181 1.00 4.13 H new ATOM 0 HB3 MET A 28 -6.420 -1.531 -2.108 1.00 4.13 H new ATOM 0 HG2 MET A 28 -4.324 -2.515 -4.074 1.00 12.43 H new ATOM 0 HG3 MET A 28 -4.014 -2.179 -2.382 1.00 12.43 H new ATOM 0 HE1 MET A 28 -3.931 -6.051 -3.082 1.00 54.31 H new ATOM 0 HE2 MET A 28 -3.068 -4.516 -3.338 1.00 54.31 H new ATOM 0 HE3 MET A 28 -3.361 -5.106 -1.685 1.00 54.31 H new ATOM 446 N HIS A 29 -9.091 -1.191 -3.100 1.00 54.02 N ATOM 447 CA HIS A 29 -10.251 -0.363 -2.754 1.00 31.03 C ATOM 448 C HIS A 29 -9.858 0.725 -1.738 1.00 64.44 C ATOM 449 O HIS A 29 -9.016 0.497 -0.869 1.00 41.04 O ATOM 450 CB HIS A 29 -11.373 -1.247 -2.187 1.00 12.12 C ATOM 451 CG HIS A 29 -12.669 -0.524 -1.954 1.00 60.34 C ATOM 452 ND1 HIS A 29 -13.133 0.151 -0.875 1.00 10.43 N flip ATOM 453 CD2 HIS A 29 -13.663 -0.443 -2.901 1.00 74.44 C flip ATOM 454 CE1 HIS A 29 -14.384 0.618 -1.195 1.00 42.53 C flip ATOM 455 NE2 HIS A 29 -14.676 0.246 -2.422 1.00 72.30 N flip ATOM 0 H HIS A 29 -9.069 -2.098 -2.633 1.00 54.02 H new ATOM 0 HA HIS A 29 -10.611 0.130 -3.657 1.00 31.03 H new ATOM 0 HB2 HIS A 29 -11.550 -2.075 -2.874 1.00 12.12 H new ATOM 0 HB3 HIS A 29 -11.037 -1.681 -1.245 1.00 12.12 H new ATOM 0 HD2 HIS A 29 -13.619 -0.879 -3.888 1.00 74.44 H new ATOM 0 HE1 HIS A 29 -15.024 1.196 -0.545 1.00 42.53 H new ATOM 0 HE2 HIS A 29 -15.542 0.456 -2.919 1.00 72.30 H new ATOM 464 N CYS A 30 -10.469 1.904 -1.851 1.00 40.11 N ATOM 465 CA CYS A 30 -10.165 3.029 -0.952 1.00 52.15 C ATOM 466 C CYS A 30 -10.585 2.746 0.501 1.00 3.05 C ATOM 467 O CYS A 30 -11.144 1.689 0.810 1.00 3.02 O ATOM 468 CB CYS A 30 -10.853 4.305 -1.454 1.00 61.10 C ATOM 469 SG CYS A 30 -12.660 4.204 -1.509 1.00 62.01 S ATOM 0 H CYS A 30 -11.178 2.110 -2.555 1.00 40.11 H new ATOM 0 HA CYS A 30 -9.084 3.165 -0.959 1.00 52.15 H new ATOM 0 HB2 CYS A 30 -10.567 5.136 -0.809 1.00 61.10 H new ATOM 0 HB3 CYS A 30 -10.483 4.534 -2.453 1.00 61.10 H new ATOM 0 HG CYS A 30 -13.145 5.330 -1.943 1.00 62.01 H new ATOM 475 N LEU A 31 -10.307 3.702 1.390 1.00 61.20 N ATOM 476 CA LEU A 31 -10.630 3.564 2.817 1.00 41.55 C ATOM 477 C LEU A 31 -12.120 3.228 3.014 1.00 44.31 C ATOM 478 O LEU A 31 -12.994 4.080 2.835 1.00 23.00 O ATOM 479 CB LEU A 31 -10.251 4.861 3.567 1.00 54.20 C ATOM 480 CG LEU A 31 -10.093 4.756 5.104 1.00 1.32 C ATOM 481 CD1 LEU A 31 -11.436 4.549 5.803 1.00 24.21 C ATOM 482 CD2 LEU A 31 -9.116 3.638 5.469 1.00 61.40 C ATOM 0 H LEU A 31 -9.857 4.585 1.148 1.00 61.20 H new ATOM 0 HA LEU A 31 -10.050 2.739 3.230 1.00 41.55 H new ATOM 0 HB2 LEU A 31 -9.313 5.231 3.153 1.00 54.20 H new ATOM 0 HB3 LEU A 31 -11.012 5.612 3.354 1.00 54.20 H new ATOM 0 HG LEU A 31 -9.687 5.704 5.456 1.00 1.32 H new ATOM 0 HD11 LEU A 31 -11.279 4.481 6.879 1.00 24.21 H new ATOM 0 HD12 LEU A 31 -12.093 5.391 5.585 1.00 24.21 H new ATOM 0 HD13 LEU A 31 -11.895 3.628 5.444 1.00 24.21 H new ATOM 0 HD21 LEU A 31 -9.018 3.580 6.553 1.00 61.40 H new ATOM 0 HD22 LEU A 31 -9.491 2.688 5.087 1.00 61.40 H new ATOM 0 HD23 LEU A 31 -8.142 3.848 5.028 1.00 61.40 H new ATOM 494 N GLY A 32 -12.398 1.976 3.374 1.00 63.21 N ATOM 495 CA GLY A 32 -13.772 1.531 3.571 1.00 64.03 C ATOM 496 C GLY A 32 -13.873 0.042 3.891 1.00 75.03 C ATOM 497 O GLY A 32 -14.685 -0.369 4.721 1.00 72.35 O ATOM 0 H GLY A 32 -11.693 1.257 3.534 1.00 63.21 H new ATOM 0 HA2 GLY A 32 -14.221 2.103 4.383 1.00 64.03 H new ATOM 0 HA3 GLY A 32 -14.350 1.745 2.672 1.00 64.03 H new ATOM 501 N CYS A 33 -13.043 -0.771 3.232 1.00 44.15 N ATOM 502 CA CYS A 33 -13.040 -2.221 3.469 1.00 30.35 C ATOM 503 C CYS A 33 -12.298 -2.577 4.765 1.00 73.54 C ATOM 504 O CYS A 33 -11.103 -2.306 4.898 1.00 74.32 O ATOM 505 CB CYS A 33 -12.389 -2.978 2.307 1.00 15.02 C ATOM 506 SG CYS A 33 -13.089 -2.617 0.680 1.00 65.22 S ATOM 0 H CYS A 33 -12.369 -0.455 2.535 1.00 44.15 H new ATOM 0 HA CYS A 33 -14.084 -2.522 3.556 1.00 30.35 H new ATOM 0 HB2 CYS A 33 -11.325 -2.743 2.289 1.00 15.02 H new ATOM 0 HB3 CYS A 33 -12.476 -4.048 2.495 1.00 15.02 H new ATOM 0 HG CYS A 33 -13.020 -1.339 0.452 1.00 65.22 H new ATOM 512 N PRO A 34 -12.993 -3.213 5.726 1.00 60.43 N ATOM 513 CA PRO A 34 -12.389 -3.637 7.005 1.00 15.14 C ATOM 514 C PRO A 34 -11.303 -4.709 6.808 1.00 62.45 C ATOM 515 O PRO A 34 -10.239 -4.663 7.433 1.00 41.11 O ATOM 516 CB PRO A 34 -13.581 -4.211 7.803 1.00 24.25 C ATOM 517 CG PRO A 34 -14.807 -3.738 7.088 1.00 51.24 C ATOM 518 CD PRO A 34 -14.415 -3.573 5.645 1.00 33.51 C ATOM 0 HA PRO A 34 -11.887 -2.811 7.510 1.00 15.14 H new ATOM 0 HB2 PRO A 34 -13.542 -5.300 7.837 1.00 24.25 H new ATOM 0 HB3 PRO A 34 -13.568 -3.859 8.835 1.00 24.25 H new ATOM 0 HG2 PRO A 34 -15.619 -4.458 7.191 1.00 51.24 H new ATOM 0 HG3 PRO A 34 -15.161 -2.795 7.505 1.00 51.24 H new ATOM 0 HD2 PRO A 34 -14.567 -4.492 5.078 1.00 33.51 H new ATOM 0 HD3 PRO A 34 -15.001 -2.795 5.154 1.00 33.51 H new ATOM 526 N SER A 35 -11.587 -5.666 5.927 1.00 65.20 N ATOM 527 CA SER A 35 -10.659 -6.764 5.617 1.00 52.44 C ATOM 528 C SER A 35 -9.318 -6.246 5.081 1.00 32.43 C ATOM 529 O SER A 35 -8.275 -6.443 5.700 1.00 11.12 O ATOM 530 CB SER A 35 -11.282 -7.707 4.578 1.00 34.20 C ATOM 531 OG SER A 35 -11.581 -7.016 3.371 1.00 73.30 O ATOM 0 H SER A 35 -12.463 -5.707 5.406 1.00 65.20 H new ATOM 0 HA SER A 35 -10.473 -7.300 6.548 1.00 52.44 H new ATOM 0 HB2 SER A 35 -10.596 -8.528 4.370 1.00 34.20 H new ATOM 0 HB3 SER A 35 -12.193 -8.148 4.983 1.00 34.20 H new ATOM 0 HG SER A 35 -11.975 -7.640 2.726 1.00 73.30 H new ATOM 537 N SER A 36 -9.372 -5.558 3.936 1.00 31.34 N ATOM 538 CA SER A 36 -8.169 -5.064 3.233 1.00 45.11 C ATOM 539 C SER A 36 -7.197 -4.304 4.152 1.00 54.14 C ATOM 540 O SER A 36 -6.022 -4.150 3.831 1.00 12.42 O ATOM 541 CB SER A 36 -8.579 -4.163 2.060 1.00 33.22 C ATOM 542 OG SER A 36 -9.410 -4.862 1.142 1.00 34.22 O ATOM 0 H SER A 36 -10.246 -5.325 3.466 1.00 31.34 H new ATOM 0 HA SER A 36 -7.640 -5.945 2.869 1.00 45.11 H new ATOM 0 HB2 SER A 36 -9.106 -3.287 2.438 1.00 33.22 H new ATOM 0 HB3 SER A 36 -7.688 -3.802 1.546 1.00 33.22 H new ATOM 0 HG SER A 36 -9.658 -4.265 0.405 1.00 34.22 H new ATOM 548 N MET A 37 -7.690 -3.825 5.289 1.00 54.21 N ATOM 549 CA MET A 37 -6.848 -3.125 6.260 1.00 44.01 C ATOM 550 C MET A 37 -5.976 -4.104 7.066 1.00 62.02 C ATOM 551 O MET A 37 -4.768 -3.911 7.189 1.00 2.42 O ATOM 552 CB MET A 37 -7.720 -2.293 7.209 1.00 61.23 C ATOM 553 CG MET A 37 -8.515 -1.175 6.532 1.00 12.52 C ATOM 554 SD MET A 37 -7.488 0.199 5.947 1.00 32.12 S ATOM 555 CE MET A 37 -6.955 -0.375 4.332 1.00 14.21 C ATOM 0 H MET A 37 -8.669 -3.907 5.564 1.00 54.21 H new ATOM 0 HA MET A 37 -6.181 -2.464 5.707 1.00 44.01 H new ATOM 0 HB2 MET A 37 -8.417 -2.959 7.718 1.00 61.23 H new ATOM 0 HB3 MET A 37 -7.082 -1.854 7.976 1.00 61.23 H new ATOM 0 HG2 MET A 37 -9.064 -1.592 5.688 1.00 12.52 H new ATOM 0 HG3 MET A 37 -9.255 -0.791 7.234 1.00 12.52 H new ATOM 0 HE1 MET A 37 -5.907 -0.670 4.379 1.00 14.21 H new ATOM 0 HE2 MET A 37 -7.560 -1.231 4.032 1.00 14.21 H new ATOM 0 HE3 MET A 37 -7.074 0.427 3.603 1.00 14.21 H new ATOM 565 N GLY A 38 -6.589 -5.168 7.587 1.00 61.34 N ATOM 566 CA GLY A 38 -5.888 -6.073 8.502 1.00 14.24 C ATOM 567 C GLY A 38 -5.178 -7.243 7.820 1.00 10.35 C ATOM 568 O GLY A 38 -4.665 -8.139 8.493 1.00 53.34 O ATOM 0 H GLY A 38 -7.558 -5.423 7.395 1.00 61.34 H new ATOM 0 HA2 GLY A 38 -5.154 -5.499 9.068 1.00 14.24 H new ATOM 0 HA3 GLY A 38 -6.605 -6.469 9.221 1.00 14.24 H new ATOM 572 N GLU A 39 -5.145 -7.247 6.492 1.00 63.54 N ATOM 573 CA GLU A 39 -4.474 -8.316 5.737 1.00 32.13 C ATOM 574 C GLU A 39 -3.228 -7.803 4.994 1.00 5.10 C ATOM 575 O GLU A 39 -3.082 -6.604 4.738 1.00 52.45 O ATOM 576 CB GLU A 39 -5.459 -8.980 4.762 1.00 42.15 C ATOM 577 CG GLU A 39 -6.157 -8.008 3.816 1.00 23.30 C ATOM 578 CD GLU A 39 -7.327 -8.643 3.075 1.00 4.24 C ATOM 579 OE1 GLU A 39 -8.283 -9.093 3.744 1.00 13.12 O ATOM 580 OE2 GLU A 39 -7.314 -8.676 1.830 1.00 44.25 O ATOM 0 H GLU A 39 -5.572 -6.526 5.911 1.00 63.54 H new ATOM 0 HA GLU A 39 -4.133 -9.062 6.454 1.00 32.13 H new ATOM 0 HB2 GLU A 39 -4.922 -9.722 4.171 1.00 42.15 H new ATOM 0 HB3 GLU A 39 -6.215 -9.516 5.336 1.00 42.15 H new ATOM 0 HG2 GLU A 39 -6.515 -7.150 4.384 1.00 23.30 H new ATOM 0 HG3 GLU A 39 -5.435 -7.632 3.091 1.00 23.30 H new ATOM 587 N SER A 40 -2.324 -8.725 4.665 1.00 24.31 N ATOM 588 CA SER A 40 -1.060 -8.378 3.996 1.00 63.40 C ATOM 589 C SER A 40 -1.270 -7.977 2.529 1.00 54.44 C ATOM 590 O SER A 40 -2.196 -8.451 1.867 1.00 2.24 O ATOM 591 CB SER A 40 -0.070 -9.550 4.071 1.00 11.12 C ATOM 592 OG SER A 40 0.282 -9.849 5.416 1.00 44.34 O ATOM 0 H SER A 40 -2.439 -9.722 4.849 1.00 24.31 H new ATOM 0 HA SER A 40 -0.650 -7.517 4.524 1.00 63.40 H new ATOM 0 HB2 SER A 40 -0.511 -10.431 3.605 1.00 11.12 H new ATOM 0 HB3 SER A 40 0.828 -9.306 3.504 1.00 11.12 H new ATOM 0 HG SER A 40 1.240 -9.691 5.546 1.00 44.34 H new ATOM 598 N ILE A 41 -0.382 -7.119 2.025 1.00 24.32 N ATOM 599 CA ILE A 41 -0.448 -6.624 0.644 1.00 34.45 C ATOM 600 C ILE A 41 -0.573 -7.759 -0.392 1.00 45.23 C ATOM 601 O ILE A 41 -1.433 -7.714 -1.274 1.00 53.13 O ATOM 602 CB ILE A 41 0.810 -5.782 0.344 1.00 61.32 C ATOM 603 CG1 ILE A 41 0.887 -4.597 1.326 1.00 34.33 C ATOM 604 CG2 ILE A 41 0.815 -5.294 -1.104 1.00 45.53 C ATOM 605 CD1 ILE A 41 2.288 -4.098 1.563 1.00 12.11 C ATOM 0 H ILE A 41 0.403 -6.747 2.559 1.00 24.32 H new ATOM 0 HA ILE A 41 -1.348 -6.015 0.558 1.00 34.45 H new ATOM 0 HB ILE A 41 1.691 -6.410 0.478 1.00 61.32 H new ATOM 0 HG12 ILE A 41 0.279 -3.778 0.942 1.00 34.33 H new ATOM 0 HG13 ILE A 41 0.452 -4.897 2.279 1.00 34.33 H new ATOM 0 HG21 ILE A 41 1.713 -4.704 -1.286 1.00 45.53 H new ATOM 0 HG22 ILE A 41 0.802 -6.151 -1.777 1.00 45.53 H new ATOM 0 HG23 ILE A 41 -0.066 -4.678 -1.284 1.00 45.53 H new ATOM 0 HD11 ILE A 41 2.263 -3.264 2.264 1.00 12.11 H new ATOM 0 HD12 ILE A 41 2.896 -4.903 1.977 1.00 12.11 H new ATOM 0 HD13 ILE A 41 2.720 -3.766 0.619 1.00 12.11 H new ATOM 617 N GLU A 42 0.283 -8.774 -0.277 1.00 0.03 N ATOM 618 CA GLU A 42 0.274 -9.907 -1.218 1.00 54.11 C ATOM 619 C GLU A 42 -1.046 -10.686 -1.153 1.00 2.31 C ATOM 620 O GLU A 42 -1.538 -11.181 -2.168 1.00 35.33 O ATOM 621 CB GLU A 42 1.442 -10.857 -0.924 1.00 1.35 C ATOM 622 CG GLU A 42 1.367 -11.522 0.447 1.00 55.03 C ATOM 623 CD GLU A 42 2.521 -12.474 0.703 1.00 31.31 C ATOM 624 OE1 GLU A 42 2.564 -13.548 0.069 1.00 52.12 O ATOM 625 OE2 GLU A 42 3.389 -12.157 1.541 1.00 10.14 O ATOM 0 H GLU A 42 0.991 -8.840 0.454 1.00 0.03 H new ATOM 0 HA GLU A 42 0.381 -9.496 -2.222 1.00 54.11 H new ATOM 0 HB2 GLU A 42 1.470 -11.631 -1.691 1.00 1.35 H new ATOM 0 HB3 GLU A 42 2.377 -10.301 -0.997 1.00 1.35 H new ATOM 0 HG2 GLU A 42 1.359 -10.753 1.219 1.00 55.03 H new ATOM 0 HG3 GLU A 42 0.427 -12.067 0.530 1.00 55.03 H new ATOM 632 N ASP A 43 -1.612 -10.783 0.047 1.00 75.44 N ATOM 633 CA ASP A 43 -2.854 -11.522 0.263 1.00 50.23 C ATOM 634 C ASP A 43 -4.042 -10.792 -0.385 1.00 72.22 C ATOM 635 O ASP A 43 -4.776 -11.369 -1.191 1.00 4.43 O ATOM 636 CB ASP A 43 -3.077 -11.710 1.770 1.00 35.12 C ATOM 637 CG ASP A 43 -4.203 -12.675 2.096 1.00 53.14 C ATOM 638 OD1 ASP A 43 -4.463 -13.595 1.289 1.00 25.11 O ATOM 639 OD2 ASP A 43 -4.814 -12.538 3.176 1.00 40.30 O ATOM 0 H ASP A 43 -1.228 -10.356 0.890 1.00 75.44 H new ATOM 0 HA ASP A 43 -2.776 -12.502 -0.208 1.00 50.23 H new ATOM 0 HB2 ASP A 43 -2.155 -12.072 2.224 1.00 35.12 H new ATOM 0 HB3 ASP A 43 -3.296 -10.742 2.221 1.00 35.12 H new ATOM 644 N ALA A 44 -4.209 -9.515 -0.044 1.00 22.44 N ATOM 645 CA ALA A 44 -5.244 -8.672 -0.653 1.00 53.31 C ATOM 646 C ALA A 44 -5.131 -8.669 -2.186 1.00 64.33 C ATOM 647 O ALA A 44 -6.135 -8.760 -2.903 1.00 75.23 O ATOM 648 CB ALA A 44 -5.139 -7.251 -0.109 1.00 2.42 C ATOM 0 H ALA A 44 -3.639 -9.037 0.654 1.00 22.44 H new ATOM 0 HA ALA A 44 -6.219 -9.085 -0.394 1.00 53.31 H new ATOM 0 HB1 ALA A 44 -5.910 -6.629 -0.564 1.00 2.42 H new ATOM 0 HB2 ALA A 44 -5.276 -7.264 0.972 1.00 2.42 H new ATOM 0 HB3 ALA A 44 -4.157 -6.842 -0.346 1.00 2.42 H new ATOM 654 N CYS A 45 -3.896 -8.569 -2.680 1.00 62.35 N ATOM 655 CA CYS A 45 -3.626 -8.653 -4.118 1.00 51.53 C ATOM 656 C CYS A 45 -4.091 -9.997 -4.692 1.00 61.20 C ATOM 657 O CYS A 45 -4.854 -10.038 -5.655 1.00 42.33 O ATOM 658 CB CYS A 45 -2.129 -8.460 -4.399 1.00 24.51 C ATOM 659 SG CYS A 45 -1.510 -6.795 -4.046 1.00 24.31 S ATOM 0 H CYS A 45 -3.065 -8.430 -2.105 1.00 62.35 H new ATOM 0 HA CYS A 45 -4.187 -7.856 -4.606 1.00 51.53 H new ATOM 0 HB2 CYS A 45 -1.565 -9.178 -3.804 1.00 24.51 H new ATOM 0 HB3 CYS A 45 -1.935 -8.692 -5.446 1.00 24.51 H new ATOM 0 HG CYS A 45 -1.271 -6.682 -2.773 1.00 24.31 H new ATOM 665 N ALA A 46 -3.641 -11.088 -4.078 1.00 75.42 N ATOM 666 CA ALA A 46 -3.972 -12.444 -4.536 1.00 2.22 C ATOM 667 C ALA A 46 -5.490 -12.671 -4.635 1.00 22.10 C ATOM 668 O ALA A 46 -5.970 -13.315 -5.571 1.00 73.11 O ATOM 669 CB ALA A 46 -3.348 -13.475 -3.605 1.00 11.11 C ATOM 0 H ALA A 46 -3.040 -11.063 -3.254 1.00 75.42 H new ATOM 0 HA ALA A 46 -3.561 -12.559 -5.539 1.00 2.22 H new ATOM 0 HB1 ALA A 46 -3.599 -14.477 -3.952 1.00 11.11 H new ATOM 0 HB2 ALA A 46 -2.265 -13.353 -3.600 1.00 11.11 H new ATOM 0 HB3 ALA A 46 -3.733 -13.334 -2.595 1.00 11.11 H new ATOM 675 N VAL A 47 -6.239 -12.141 -3.667 1.00 0.34 N ATOM 676 CA VAL A 47 -7.705 -12.241 -3.675 1.00 73.24 C ATOM 677 C VAL A 47 -8.306 -11.592 -4.933 1.00 50.44 C ATOM 678 O VAL A 47 -9.221 -12.140 -5.551 1.00 44.11 O ATOM 679 CB VAL A 47 -8.323 -11.580 -2.411 1.00 34.21 C ATOM 680 CG1 VAL A 47 -9.853 -11.621 -2.460 1.00 63.31 C ATOM 681 CG2 VAL A 47 -7.806 -12.251 -1.139 1.00 65.42 C ATOM 0 H VAL A 47 -5.858 -11.637 -2.866 1.00 0.34 H new ATOM 0 HA VAL A 47 -7.948 -13.304 -3.676 1.00 73.24 H new ATOM 0 HB VAL A 47 -8.014 -10.535 -2.396 1.00 34.21 H new ATOM 0 HG11 VAL A 47 -10.258 -11.152 -1.564 1.00 63.31 H new ATOM 0 HG12 VAL A 47 -10.203 -11.083 -3.341 1.00 63.31 H new ATOM 0 HG13 VAL A 47 -10.188 -12.657 -2.510 1.00 63.31 H new ATOM 0 HG21 VAL A 47 -8.252 -11.772 -0.268 1.00 65.42 H new ATOM 0 HG22 VAL A 47 -8.075 -13.307 -1.150 1.00 65.42 H new ATOM 0 HG23 VAL A 47 -6.721 -12.153 -1.091 1.00 65.42 H new ATOM 691 N HIS A 48 -7.777 -10.427 -5.311 1.00 23.12 N ATOM 692 CA HIS A 48 -8.281 -9.678 -6.475 1.00 15.33 C ATOM 693 C HIS A 48 -7.349 -9.801 -7.699 1.00 33.54 C ATOM 694 O HIS A 48 -7.517 -9.094 -8.692 1.00 60.42 O ATOM 695 CB HIS A 48 -8.470 -8.204 -6.102 1.00 22.23 C ATOM 696 CG HIS A 48 -9.497 -7.991 -5.025 1.00 4.41 C ATOM 697 ND1 HIS A 48 -9.185 -7.550 -3.756 1.00 22.22 N ATOM 698 CD2 HIS A 48 -10.842 -8.164 -5.035 1.00 55.53 C ATOM 699 CE1 HIS A 48 -10.286 -7.461 -3.037 1.00 74.10 C ATOM 700 NE2 HIS A 48 -11.303 -7.829 -3.787 1.00 53.11 N ATOM 0 H HIS A 48 -6.998 -9.977 -4.830 1.00 23.12 H new ATOM 0 HA HIS A 48 -9.240 -10.114 -6.755 1.00 15.33 H new ATOM 0 HB2 HIS A 48 -7.516 -7.795 -5.771 1.00 22.23 H new ATOM 0 HB3 HIS A 48 -8.765 -7.646 -6.991 1.00 22.23 H new ATOM 0 HD2 HIS A 48 -11.439 -8.502 -5.869 1.00 55.53 H new ATOM 0 HE1 HIS A 48 -10.344 -7.141 -2.007 1.00 74.10 H new ATOM 0 HE2 HIS A 48 -12.278 -7.860 -3.488 1.00 53.11 H new ATOM 709 N GLY A 49 -6.366 -10.694 -7.617 1.00 31.10 N ATOM 710 CA GLY A 49 -5.454 -10.933 -8.737 1.00 61.34 C ATOM 711 C GLY A 49 -4.517 -9.762 -9.047 1.00 13.15 C ATOM 712 O GLY A 49 -3.937 -9.696 -10.133 1.00 13.41 O ATOM 0 H GLY A 49 -6.179 -11.263 -6.791 1.00 31.10 H new ATOM 0 HA2 GLY A 49 -4.853 -11.816 -8.519 1.00 61.34 H new ATOM 0 HA3 GLY A 49 -6.041 -11.159 -9.627 1.00 61.34 H new ATOM 716 N ILE A 50 -4.356 -8.853 -8.091 1.00 2.02 N ATOM 717 CA ILE A 50 -3.502 -7.669 -8.262 1.00 33.34 C ATOM 718 C ILE A 50 -2.003 -8.041 -8.214 1.00 3.23 C ATOM 719 O ILE A 50 -1.626 -9.053 -7.619 1.00 54.34 O ATOM 720 CB ILE A 50 -3.808 -6.618 -7.158 1.00 50.23 C ATOM 721 CG1 ILE A 50 -5.310 -6.285 -7.132 1.00 61.20 C ATOM 722 CG2 ILE A 50 -2.979 -5.348 -7.358 1.00 33.21 C ATOM 723 CD1 ILE A 50 -5.706 -5.325 -6.027 1.00 73.24 C ATOM 0 H ILE A 50 -4.808 -8.910 -7.179 1.00 2.02 H new ATOM 0 HA ILE A 50 -3.722 -7.246 -9.242 1.00 33.34 H new ATOM 0 HB ILE A 50 -3.531 -7.050 -6.197 1.00 50.23 H new ATOM 0 HG12 ILE A 50 -5.594 -5.855 -8.093 1.00 61.20 H new ATOM 0 HG13 ILE A 50 -5.876 -7.210 -7.017 1.00 61.20 H new ATOM 0 HG21 ILE A 50 -3.215 -4.632 -6.571 1.00 33.21 H new ATOM 0 HG22 ILE A 50 -1.918 -5.596 -7.317 1.00 33.21 H new ATOM 0 HG23 ILE A 50 -3.212 -4.910 -8.329 1.00 33.21 H new ATOM 0 HD11 ILE A 50 -6.779 -5.139 -6.074 1.00 73.24 H new ATOM 0 HD12 ILE A 50 -5.455 -5.760 -5.060 1.00 73.24 H new ATOM 0 HD13 ILE A 50 -5.169 -4.385 -6.152 1.00 73.24 H new ATOM 735 N ASP A 51 -1.156 -7.224 -8.843 1.00 12.21 N ATOM 736 CA ASP A 51 0.292 -7.461 -8.841 1.00 44.31 C ATOM 737 C ASP A 51 0.957 -6.751 -7.643 1.00 55.13 C ATOM 738 O ASP A 51 1.259 -5.556 -7.697 1.00 62.20 O ATOM 739 CB ASP A 51 0.913 -6.977 -10.161 1.00 32.22 C ATOM 740 CG ASP A 51 2.315 -7.527 -10.388 1.00 1.31 C ATOM 741 OD1 ASP A 51 3.233 -7.173 -9.623 1.00 74.33 O ATOM 742 OD2 ASP A 51 2.507 -8.323 -11.335 1.00 3.52 O ATOM 0 H ASP A 51 -1.445 -6.394 -9.360 1.00 12.21 H new ATOM 0 HA ASP A 51 0.466 -8.533 -8.745 1.00 44.31 H new ATOM 0 HB2 ASP A 51 0.272 -7.275 -10.990 1.00 32.22 H new ATOM 0 HB3 ASP A 51 0.950 -5.888 -10.162 1.00 32.22 H new ATOM 747 N ALA A 52 1.172 -7.495 -6.561 1.00 64.44 N ATOM 748 CA ALA A 52 1.755 -6.936 -5.337 1.00 35.40 C ATOM 749 C ALA A 52 3.217 -6.521 -5.538 1.00 21.42 C ATOM 750 O ALA A 52 3.672 -5.532 -4.966 1.00 73.01 O ATOM 751 CB ALA A 52 1.646 -7.942 -4.195 1.00 32.33 C ATOM 0 H ALA A 52 0.952 -8.489 -6.504 1.00 64.44 H new ATOM 0 HA ALA A 52 1.190 -6.039 -5.084 1.00 35.40 H new ATOM 0 HB1 ALA A 52 2.082 -7.516 -3.292 1.00 32.33 H new ATOM 0 HB2 ALA A 52 0.597 -8.176 -4.016 1.00 32.33 H new ATOM 0 HB3 ALA A 52 2.181 -8.854 -4.461 1.00 32.33 H new ATOM 757 N ASP A 53 3.943 -7.275 -6.359 1.00 65.30 N ATOM 758 CA ASP A 53 5.362 -7.007 -6.610 1.00 54.54 C ATOM 759 C ASP A 53 5.578 -5.587 -7.176 1.00 72.23 C ATOM 760 O ASP A 53 6.498 -4.879 -6.760 1.00 1.45 O ATOM 761 CB ASP A 53 5.927 -8.065 -7.564 1.00 52.30 C ATOM 762 CG ASP A 53 7.422 -7.920 -7.781 1.00 22.35 C ATOM 763 OD1 ASP A 53 8.198 -8.291 -6.874 1.00 54.45 O ATOM 764 OD2 ASP A 53 7.827 -7.436 -8.861 1.00 51.42 O ATOM 0 H ASP A 53 3.573 -8.080 -6.865 1.00 65.30 H new ATOM 0 HA ASP A 53 5.895 -7.061 -5.661 1.00 54.54 H new ATOM 0 HB2 ASP A 53 5.717 -9.057 -7.165 1.00 52.30 H new ATOM 0 HB3 ASP A 53 5.416 -7.992 -8.524 1.00 52.30 H new ATOM 769 N LYS A 54 4.719 -5.173 -8.110 1.00 24.13 N ATOM 770 CA LYS A 54 4.785 -3.818 -8.678 1.00 33.32 C ATOM 771 C LYS A 54 4.303 -2.764 -7.666 1.00 72.31 C ATOM 772 O LYS A 54 4.867 -1.672 -7.571 1.00 4.33 O ATOM 773 CB LYS A 54 3.943 -3.729 -9.960 1.00 62.30 C ATOM 774 CG LYS A 54 4.465 -4.590 -11.105 1.00 61.12 C ATOM 775 CD LYS A 54 3.536 -4.548 -12.316 1.00 41.12 C ATOM 776 CE LYS A 54 4.033 -5.446 -13.443 1.00 72.41 C ATOM 777 NZ LYS A 54 4.144 -6.870 -13.022 1.00 40.43 N ATOM 0 H LYS A 54 3.970 -5.752 -8.490 1.00 24.13 H new ATOM 0 HA LYS A 54 5.828 -3.613 -8.919 1.00 33.32 H new ATOM 0 HB2 LYS A 54 2.920 -4.027 -9.732 1.00 62.30 H new ATOM 0 HB3 LYS A 54 3.907 -2.690 -10.287 1.00 62.30 H new ATOM 0 HG2 LYS A 54 5.457 -4.245 -11.396 1.00 61.12 H new ATOM 0 HG3 LYS A 54 4.573 -5.620 -10.765 1.00 61.12 H new ATOM 0 HD2 LYS A 54 2.535 -4.860 -12.017 1.00 41.12 H new ATOM 0 HD3 LYS A 54 3.456 -3.523 -12.677 1.00 41.12 H new ATOM 0 HE2 LYS A 54 3.352 -5.372 -14.291 1.00 72.41 H new ATOM 0 HE3 LYS A 54 5.006 -5.093 -13.784 1.00 72.41 H new ATOM 0 HZ1 LYS A 54 4.320 -7.466 -13.856 1.00 40.43 H new ATOM 0 HZ2 LYS A 54 4.931 -6.973 -12.351 1.00 40.43 H new ATOM 0 HZ3 LYS A 54 3.258 -7.167 -12.565 1.00 40.43 H new ATOM 791 N LEU A 55 3.255 -3.104 -6.919 1.00 22.11 N ATOM 792 CA LEU A 55 2.694 -2.210 -5.898 1.00 61.35 C ATOM 793 C LEU A 55 3.732 -1.858 -4.821 1.00 31.32 C ATOM 794 O LEU A 55 3.934 -0.685 -4.491 1.00 0.20 O ATOM 795 CB LEU A 55 1.459 -2.876 -5.266 1.00 73.44 C ATOM 796 CG LEU A 55 0.897 -2.207 -3.998 1.00 13.24 C ATOM 797 CD1 LEU A 55 0.556 -0.740 -4.249 1.00 5.52 C ATOM 798 CD2 LEU A 55 -0.332 -2.966 -3.505 1.00 14.23 C ATOM 0 H LEU A 55 2.771 -3.998 -7.000 1.00 22.11 H new ATOM 0 HA LEU A 55 2.401 -1.276 -6.377 1.00 61.35 H new ATOM 0 HB2 LEU A 55 0.668 -2.909 -6.015 1.00 73.44 H new ATOM 0 HB3 LEU A 55 1.713 -3.908 -5.024 1.00 73.44 H new ATOM 0 HG LEU A 55 1.667 -2.241 -3.227 1.00 13.24 H new ATOM 0 HD11 LEU A 55 0.162 -0.297 -3.335 1.00 5.52 H new ATOM 0 HD12 LEU A 55 1.455 -0.204 -4.554 1.00 5.52 H new ATOM 0 HD13 LEU A 55 -0.193 -0.670 -5.038 1.00 5.52 H new ATOM 0 HD21 LEU A 55 -0.721 -2.485 -2.608 1.00 14.23 H new ATOM 0 HD22 LEU A 55 -1.098 -2.962 -4.281 1.00 14.23 H new ATOM 0 HD23 LEU A 55 -0.056 -3.995 -3.274 1.00 14.23 H new ATOM 810 N VAL A 56 4.395 -2.876 -4.286 1.00 21.43 N ATOM 811 CA VAL A 56 5.404 -2.687 -3.243 1.00 42.21 C ATOM 812 C VAL A 56 6.531 -1.740 -3.701 1.00 2.44 C ATOM 813 O VAL A 56 7.040 -0.938 -2.914 1.00 42.34 O ATOM 814 CB VAL A 56 5.998 -4.048 -2.802 1.00 62.53 C ATOM 815 CG1 VAL A 56 7.129 -3.857 -1.794 1.00 73.50 C ATOM 816 CG2 VAL A 56 4.902 -4.939 -2.220 1.00 51.43 C ATOM 0 H VAL A 56 4.253 -3.849 -4.558 1.00 21.43 H new ATOM 0 HA VAL A 56 4.905 -2.225 -2.391 1.00 42.21 H new ATOM 0 HB VAL A 56 6.417 -4.537 -3.682 1.00 62.53 H new ATOM 0 HG11 VAL A 56 7.526 -4.830 -1.503 1.00 73.50 H new ATOM 0 HG12 VAL A 56 7.923 -3.262 -2.246 1.00 73.50 H new ATOM 0 HG13 VAL A 56 6.747 -3.343 -0.912 1.00 73.50 H new ATOM 0 HG21 VAL A 56 5.333 -5.892 -1.914 1.00 51.43 H new ATOM 0 HG22 VAL A 56 4.455 -4.448 -1.355 1.00 51.43 H new ATOM 0 HG23 VAL A 56 4.135 -5.113 -2.975 1.00 51.43 H new ATOM 826 N LYS A 57 6.908 -1.824 -4.979 1.00 5.31 N ATOM 827 CA LYS A 57 7.921 -0.921 -5.548 1.00 0.13 C ATOM 828 C LYS A 57 7.520 0.550 -5.362 1.00 0.32 C ATOM 829 O LYS A 57 8.267 1.340 -4.783 1.00 54.43 O ATOM 830 CB LYS A 57 8.126 -1.211 -7.042 1.00 44.03 C ATOM 831 CG LYS A 57 8.599 -2.631 -7.339 1.00 25.32 C ATOM 832 CD LYS A 57 8.716 -2.890 -8.839 1.00 43.31 C ATOM 833 CE LYS A 57 9.141 -4.324 -9.142 1.00 12.51 C ATOM 834 NZ LYS A 57 10.483 -4.649 -8.584 1.00 10.14 N ATOM 0 H LYS A 57 6.531 -2.504 -5.640 1.00 5.31 H new ATOM 0 HA LYS A 57 8.855 -1.099 -5.015 1.00 0.13 H new ATOM 0 HB2 LYS A 57 7.188 -1.034 -7.568 1.00 44.03 H new ATOM 0 HB3 LYS A 57 8.854 -0.505 -7.442 1.00 44.03 H new ATOM 0 HG2 LYS A 57 9.566 -2.798 -6.865 1.00 25.32 H new ATOM 0 HG3 LYS A 57 7.902 -3.345 -6.901 1.00 25.32 H new ATOM 0 HD2 LYS A 57 7.758 -2.688 -9.317 1.00 43.31 H new ATOM 0 HD3 LYS A 57 9.440 -2.199 -9.271 1.00 43.31 H new ATOM 0 HE2 LYS A 57 8.403 -5.013 -8.731 1.00 12.51 H new ATOM 0 HE3 LYS A 57 9.153 -4.476 -10.221 1.00 12.51 H new ATOM 0 HZ1 LYS A 57 10.786 -5.582 -8.929 1.00 10.14 H new ATOM 0 HZ2 LYS A 57 11.169 -3.929 -8.888 1.00 10.14 H new ATOM 0 HZ3 LYS A 57 10.433 -4.663 -7.545 1.00 10.14 H new ATOM 848 N GLU A 58 6.324 0.904 -5.839 1.00 71.24 N ATOM 849 CA GLU A 58 5.817 2.280 -5.727 1.00 44.23 C ATOM 850 C GLU A 58 5.706 2.735 -4.261 1.00 32.43 C ATOM 851 O GLU A 58 5.932 3.908 -3.948 1.00 64.13 O ATOM 852 CB GLU A 58 4.455 2.410 -6.429 1.00 74.24 C ATOM 853 CG GLU A 58 4.527 2.243 -7.943 1.00 2.34 C ATOM 854 CD GLU A 58 3.239 2.654 -8.642 1.00 23.14 C ATOM 855 OE1 GLU A 58 2.266 1.874 -8.612 1.00 2.12 O ATOM 856 OE2 GLU A 58 3.201 3.764 -9.219 1.00 70.20 O ATOM 0 H GLU A 58 5.687 0.259 -6.307 1.00 71.24 H new ATOM 0 HA GLU A 58 6.537 2.933 -6.220 1.00 44.23 H new ATOM 0 HB2 GLU A 58 3.774 1.663 -6.022 1.00 74.24 H new ATOM 0 HB3 GLU A 58 4.030 3.387 -6.200 1.00 74.24 H new ATOM 0 HG2 GLU A 58 5.352 2.840 -8.331 1.00 2.34 H new ATOM 0 HG3 GLU A 58 4.747 1.202 -8.179 1.00 2.34 H new ATOM 863 N LEU A 59 5.351 1.808 -3.369 1.00 33.14 N ATOM 864 CA LEU A 59 5.301 2.093 -1.930 1.00 5.13 C ATOM 865 C LEU A 59 6.683 2.513 -1.390 1.00 61.22 C ATOM 866 O LEU A 59 6.818 3.562 -0.758 1.00 30.23 O ATOM 867 CB LEU A 59 4.783 0.865 -1.169 1.00 63.15 C ATOM 868 CG LEU A 59 3.334 0.455 -1.490 1.00 2.44 C ATOM 869 CD1 LEU A 59 2.993 -0.881 -0.836 1.00 64.13 C ATOM 870 CD2 LEU A 59 2.351 1.540 -1.048 1.00 20.24 C ATOM 0 H LEU A 59 5.093 0.852 -3.616 1.00 33.14 H new ATOM 0 HA LEU A 59 4.616 2.927 -1.775 1.00 5.13 H new ATOM 0 HB2 LEU A 59 5.438 0.021 -1.385 1.00 63.15 H new ATOM 0 HB3 LEU A 59 4.859 1.062 -0.100 1.00 63.15 H new ATOM 0 HG LEU A 59 3.247 0.338 -2.570 1.00 2.44 H new ATOM 0 HD11 LEU A 59 1.965 -1.152 -1.076 1.00 64.13 H new ATOM 0 HD12 LEU A 59 3.667 -1.652 -1.209 1.00 64.13 H new ATOM 0 HD13 LEU A 59 3.103 -0.795 0.245 1.00 64.13 H new ATOM 0 HD21 LEU A 59 1.334 1.228 -1.285 1.00 20.24 H new ATOM 0 HD22 LEU A 59 2.441 1.697 0.027 1.00 20.24 H new ATOM 0 HD23 LEU A 59 2.576 2.470 -1.570 1.00 20.24 H new ATOM 882 N ASN A 60 7.706 1.693 -1.651 1.00 52.10 N ATOM 883 CA ASN A 60 9.078 2.001 -1.217 1.00 10.20 C ATOM 884 C ASN A 60 9.573 3.336 -1.799 1.00 44.42 C ATOM 885 O ASN A 60 10.035 4.214 -1.064 1.00 5.33 O ATOM 886 CB ASN A 60 10.041 0.870 -1.615 1.00 14.42 C ATOM 887 CG ASN A 60 9.901 -0.359 -0.733 1.00 2.23 C ATOM 888 OD1 ASN A 60 10.512 -0.452 0.324 1.00 24.21 O ATOM 889 ND2 ASN A 60 9.109 -1.319 -1.163 1.00 12.41 N ATOM 0 H ASN A 60 7.614 0.813 -2.159 1.00 52.10 H new ATOM 0 HA ASN A 60 9.060 2.091 -0.131 1.00 10.20 H new ATOM 0 HB2 ASN A 60 9.857 0.590 -2.652 1.00 14.42 H new ATOM 0 HB3 ASN A 60 11.066 1.236 -1.561 1.00 14.42 H new ATOM 0 HD21 ASN A 60 8.992 -2.169 -0.611 1.00 12.41 H new ATOM 0 HD22 ASN A 60 8.613 -1.213 -2.048 1.00 12.41 H new ATOM 896 N GLU A 61 9.457 3.489 -3.118 1.00 52.14 N ATOM 897 CA GLU A 61 9.907 4.709 -3.799 1.00 14.52 C ATOM 898 C GLU A 61 9.209 5.966 -3.252 1.00 34.33 C ATOM 899 O GLU A 61 9.786 7.057 -3.250 1.00 44.34 O ATOM 900 CB GLU A 61 9.682 4.593 -5.313 1.00 22.23 C ATOM 901 CG GLU A 61 10.513 3.494 -5.967 1.00 62.01 C ATOM 902 CD GLU A 61 10.436 3.510 -7.487 1.00 60.20 C ATOM 903 OE1 GLU A 61 11.073 4.387 -8.105 1.00 15.33 O ATOM 904 OE2 GLU A 61 9.776 2.625 -8.073 1.00 4.22 O ATOM 0 H GLU A 61 9.056 2.786 -3.738 1.00 52.14 H new ATOM 0 HA GLU A 61 10.974 4.814 -3.603 1.00 14.52 H new ATOM 0 HB2 GLU A 61 8.626 4.401 -5.502 1.00 22.23 H new ATOM 0 HB3 GLU A 61 9.921 5.547 -5.782 1.00 22.23 H new ATOM 0 HG2 GLU A 61 11.553 3.603 -5.661 1.00 62.01 H new ATOM 0 HG3 GLU A 61 10.173 2.525 -5.602 1.00 62.01 H new ATOM 911 N TYR A 62 7.974 5.806 -2.782 1.00 11.21 N ATOM 912 CA TYR A 62 7.219 6.916 -2.189 1.00 34.41 C ATOM 913 C TYR A 62 7.893 7.430 -0.910 1.00 22.41 C ATOM 914 O TYR A 62 8.026 8.640 -0.705 1.00 72.00 O ATOM 915 CB TYR A 62 5.784 6.481 -1.879 1.00 71.42 C ATOM 916 CG TYR A 62 4.937 7.577 -1.256 1.00 55.35 C ATOM 917 CD1 TYR A 62 4.430 8.614 -2.033 1.00 60.15 C ATOM 918 CD2 TYR A 62 4.650 7.576 0.105 1.00 13.10 C ATOM 919 CE1 TYR A 62 3.660 9.613 -1.472 1.00 34.04 C ATOM 920 CE2 TYR A 62 3.881 8.572 0.670 1.00 61.12 C ATOM 921 CZ TYR A 62 3.390 9.588 -0.121 1.00 61.40 C ATOM 922 OH TYR A 62 2.626 10.584 0.442 1.00 51.53 O ATOM 0 H TYR A 62 7.471 4.919 -2.799 1.00 11.21 H new ATOM 0 HA TYR A 62 7.200 7.728 -2.916 1.00 34.41 H new ATOM 0 HB2 TYR A 62 5.308 6.145 -2.800 1.00 71.42 H new ATOM 0 HB3 TYR A 62 5.810 5.626 -1.204 1.00 71.42 H new ATOM 0 HD1 TYR A 62 4.642 8.638 -3.092 1.00 60.15 H new ATOM 0 HD2 TYR A 62 5.035 6.783 0.729 1.00 13.10 H new ATOM 0 HE1 TYR A 62 3.271 10.410 -2.089 1.00 34.04 H new ATOM 0 HE2 TYR A 62 3.665 8.556 1.728 1.00 61.12 H new ATOM 0 HH TYR A 62 2.502 10.401 1.397 1.00 51.53 H new ATOM 932 N PHE A 63 8.320 6.513 -0.046 1.00 31.14 N ATOM 933 CA PHE A 63 9.018 6.895 1.185 1.00 72.23 C ATOM 934 C PHE A 63 10.331 7.632 0.872 1.00 71.53 C ATOM 935 O PHE A 63 10.747 8.520 1.621 1.00 42.15 O ATOM 936 CB PHE A 63 9.264 5.670 2.078 1.00 1.14 C ATOM 937 CG PHE A 63 8.001 5.162 2.735 1.00 65.33 C ATOM 938 CD1 PHE A 63 7.467 5.820 3.836 1.00 30.12 C ATOM 939 CD2 PHE A 63 7.343 4.040 2.250 1.00 42.40 C ATOM 940 CE1 PHE A 63 6.304 5.374 4.432 1.00 12.44 C ATOM 941 CE2 PHE A 63 6.179 3.590 2.846 1.00 33.23 C ATOM 942 CZ PHE A 63 5.660 4.257 3.939 1.00 41.11 C ATOM 0 H PHE A 63 8.198 5.508 -0.171 1.00 31.14 H new ATOM 0 HA PHE A 63 8.378 7.585 1.735 1.00 72.23 H new ATOM 0 HB2 PHE A 63 9.703 4.872 1.479 1.00 1.14 H new ATOM 0 HB3 PHE A 63 9.991 5.928 2.848 1.00 1.14 H new ATOM 0 HD1 PHE A 63 7.968 6.692 4.231 1.00 30.12 H new ATOM 0 HD2 PHE A 63 7.745 3.512 1.397 1.00 42.40 H new ATOM 0 HE1 PHE A 63 5.898 5.899 5.284 1.00 12.44 H new ATOM 0 HE2 PHE A 63 5.676 2.717 2.457 1.00 33.23 H new ATOM 0 HZ PHE A 63 4.752 3.905 4.407 1.00 41.11 H new ATOM 952 N GLU A 64 10.969 7.274 -0.244 1.00 53.13 N ATOM 953 CA GLU A 64 12.124 8.030 -0.742 1.00 64.10 C ATOM 954 C GLU A 64 11.707 9.449 -1.157 1.00 41.10 C ATOM 955 O GLU A 64 12.423 10.419 -0.906 1.00 1.32 O ATOM 956 CB GLU A 64 12.767 7.326 -1.942 1.00 71.44 C ATOM 957 CG GLU A 64 13.144 5.870 -1.693 1.00 23.21 C ATOM 958 CD GLU A 64 14.026 5.309 -2.797 1.00 31.32 C ATOM 959 OE1 GLU A 64 13.500 4.983 -3.884 1.00 62.43 O ATOM 960 OE2 GLU A 64 15.257 5.216 -2.593 1.00 43.25 O ATOM 0 H GLU A 64 10.709 6.472 -0.818 1.00 53.13 H new ATOM 0 HA GLU A 64 12.850 8.088 0.069 1.00 64.10 H new ATOM 0 HB2 GLU A 64 12.078 7.371 -2.785 1.00 71.44 H new ATOM 0 HB3 GLU A 64 13.662 7.875 -2.233 1.00 71.44 H new ATOM 0 HG2 GLU A 64 13.664 5.789 -0.738 1.00 23.21 H new ATOM 0 HG3 GLU A 64 12.237 5.270 -1.614 1.00 23.21 H new ATOM 967 N LYS A 65 10.541 9.556 -1.802 1.00 13.21 N ATOM 968 CA LYS A 65 9.984 10.856 -2.203 1.00 20.10 C ATOM 969 C LYS A 65 9.699 11.737 -0.981 1.00 25.31 C ATOM 970 O LYS A 65 9.832 12.958 -1.042 1.00 43.12 O ATOM 971 CB LYS A 65 8.700 10.662 -3.023 1.00 21.00 C ATOM 972 CG LYS A 65 8.928 9.983 -4.369 1.00 62.42 C ATOM 973 CD LYS A 65 9.790 10.840 -5.293 1.00 43.32 C ATOM 974 CE LYS A 65 10.043 10.154 -6.629 1.00 10.43 C ATOM 975 NZ LYS A 65 10.848 11.002 -7.548 1.00 11.04 N ATOM 0 H LYS A 65 9.962 8.757 -2.059 1.00 13.21 H new ATOM 0 HA LYS A 65 10.727 11.360 -2.822 1.00 20.10 H new ATOM 0 HB2 LYS A 65 7.995 10.068 -2.442 1.00 21.00 H new ATOM 0 HB3 LYS A 65 8.236 11.634 -3.191 1.00 21.00 H new ATOM 0 HG2 LYS A 65 9.410 9.018 -4.213 1.00 62.42 H new ATOM 0 HG3 LYS A 65 7.967 9.787 -4.845 1.00 62.42 H new ATOM 0 HD2 LYS A 65 9.298 11.798 -5.464 1.00 43.32 H new ATOM 0 HD3 LYS A 65 10.743 11.053 -4.808 1.00 43.32 H new ATOM 0 HE2 LYS A 65 10.561 9.210 -6.459 1.00 10.43 H new ATOM 0 HE3 LYS A 65 9.089 9.914 -7.099 1.00 10.43 H new ATOM 0 HZ1 LYS A 65 10.997 10.497 -8.445 1.00 11.04 H new ATOM 0 HZ2 LYS A 65 10.342 11.892 -7.731 1.00 11.04 H new ATOM 0 HZ3 LYS A 65 11.769 11.210 -7.111 1.00 11.04 H new ATOM 989 N LYS A 66 9.307 11.113 0.128 1.00 42.05 N ATOM 990 CA LYS A 66 9.089 11.844 1.381 1.00 13.34 C ATOM 991 C LYS A 66 10.371 12.553 1.843 1.00 65.21 C ATOM 992 O LYS A 66 10.334 13.710 2.255 1.00 23.12 O ATOM 993 CB LYS A 66 8.589 10.905 2.484 1.00 4.11 C ATOM 994 CG LYS A 66 7.200 10.327 2.224 1.00 63.43 C ATOM 995 CD LYS A 66 6.657 9.583 3.444 1.00 73.31 C ATOM 996 CE LYS A 66 6.644 10.474 4.684 1.00 24.02 C ATOM 997 NZ LYS A 66 5.990 9.816 5.848 1.00 74.21 N ATOM 0 H LYS A 66 9.134 10.110 0.188 1.00 42.05 H new ATOM 0 HA LYS A 66 8.326 12.598 1.188 1.00 13.34 H new ATOM 0 HB2 LYS A 66 9.297 10.084 2.597 1.00 4.11 H new ATOM 0 HB3 LYS A 66 8.575 11.447 3.430 1.00 4.11 H new ATOM 0 HG2 LYS A 66 6.516 11.132 1.955 1.00 63.43 H new ATOM 0 HG3 LYS A 66 7.243 9.647 1.373 1.00 63.43 H new ATOM 0 HD2 LYS A 66 5.646 9.232 3.237 1.00 73.31 H new ATOM 0 HD3 LYS A 66 7.268 8.701 3.635 1.00 73.31 H new ATOM 0 HE2 LYS A 66 7.668 10.740 4.948 1.00 24.02 H new ATOM 0 HE3 LYS A 66 6.122 11.403 4.455 1.00 24.02 H new ATOM 0 HZ1 LYS A 66 6.278 10.295 6.725 1.00 74.21 H new ATOM 0 HZ2 LYS A 66 4.957 9.875 5.745 1.00 74.21 H new ATOM 0 HZ3 LYS A 66 6.278 8.817 5.889 1.00 74.21 H new ATOM 1011 N GLU A 67 11.505 11.855 1.759 1.00 13.31 N ATOM 1012 CA GLU A 67 12.801 12.449 2.114 1.00 61.22 C ATOM 1013 C GLU A 67 13.173 13.601 1.166 1.00 51.51 C ATOM 1014 O GLU A 67 13.966 14.474 1.515 1.00 50.34 O ATOM 1015 CB GLU A 67 13.911 11.393 2.095 1.00 13.41 C ATOM 1016 CG GLU A 67 13.695 10.236 3.067 1.00 64.05 C ATOM 1017 CD GLU A 67 14.935 9.366 3.206 1.00 21.14 C ATOM 1018 OE1 GLU A 67 15.282 8.655 2.240 1.00 43.04 O ATOM 1019 OE2 GLU A 67 15.584 9.409 4.274 1.00 51.12 O ATOM 0 H GLU A 67 11.556 10.884 1.451 1.00 13.31 H new ATOM 0 HA GLU A 67 12.703 12.848 3.124 1.00 61.22 H new ATOM 0 HB2 GLU A 67 13.998 10.992 1.085 1.00 13.41 H new ATOM 0 HB3 GLU A 67 14.860 11.876 2.329 1.00 13.41 H new ATOM 0 HG2 GLU A 67 13.419 10.631 4.045 1.00 64.05 H new ATOM 0 HG3 GLU A 67 12.861 9.625 2.723 1.00 64.05 H new ATOM 1026 N VAL A 68 12.613 13.584 -0.041 1.00 52.03 N ATOM 1027 CA VAL A 68 12.823 14.668 -1.006 1.00 10.33 C ATOM 1028 C VAL A 68 11.980 15.900 -0.637 1.00 22.23 C ATOM 1029 O VAL A 68 12.496 17.013 -0.516 1.00 3.33 O ATOM 1030 CB VAL A 68 12.464 14.217 -2.448 1.00 13.43 C ATOM 1031 CG1 VAL A 68 12.662 15.357 -3.446 1.00 24.20 C ATOM 1032 CG2 VAL A 68 13.283 12.993 -2.851 1.00 41.42 C ATOM 0 H VAL A 68 12.010 12.833 -0.377 1.00 52.03 H new ATOM 0 HA VAL A 68 13.880 14.930 -0.971 1.00 10.33 H new ATOM 0 HB VAL A 68 11.410 13.941 -2.461 1.00 13.43 H new ATOM 0 HG11 VAL A 68 12.403 15.013 -4.447 1.00 24.20 H new ATOM 0 HG12 VAL A 68 12.021 16.195 -3.173 1.00 24.20 H new ATOM 0 HG13 VAL A 68 13.704 15.677 -3.430 1.00 24.20 H new ATOM 0 HG21 VAL A 68 13.016 12.694 -3.864 1.00 41.42 H new ATOM 0 HG22 VAL A 68 14.345 13.237 -2.813 1.00 41.42 H new ATOM 0 HG23 VAL A 68 13.074 12.173 -2.164 1.00 41.42 H new ATOM 1042 N LEU A 69 10.679 15.685 -0.458 1.00 54.11 N ATOM 1043 CA LEU A 69 9.743 16.757 -0.109 1.00 61.04 C ATOM 1044 C LEU A 69 10.049 17.369 1.269 1.00 60.51 C ATOM 1045 O LEU A 69 10.271 18.578 1.388 1.00 75.11 O ATOM 1046 CB LEU A 69 8.313 16.207 -0.127 1.00 4.54 C ATOM 1047 CG LEU A 69 7.876 15.581 -1.462 1.00 75.21 C ATOM 1048 CD1 LEU A 69 6.513 14.911 -1.325 1.00 75.12 C ATOM 1049 CD2 LEU A 69 7.858 16.630 -2.571 1.00 41.31 C ATOM 0 H LEU A 69 10.243 14.768 -0.550 1.00 54.11 H new ATOM 0 HA LEU A 69 9.852 17.550 -0.848 1.00 61.04 H new ATOM 0 HB2 LEU A 69 8.218 15.456 0.658 1.00 4.54 H new ATOM 0 HB3 LEU A 69 7.625 17.016 0.121 1.00 4.54 H new ATOM 0 HG LEU A 69 8.603 14.815 -1.733 1.00 75.21 H new ATOM 0 HD11 LEU A 69 6.224 14.475 -2.281 1.00 75.12 H new ATOM 0 HD12 LEU A 69 6.567 14.126 -0.570 1.00 75.12 H new ATOM 0 HD13 LEU A 69 5.772 15.652 -1.025 1.00 75.12 H new ATOM 0 HD21 LEU A 69 7.546 16.165 -3.506 1.00 41.31 H new ATOM 0 HD22 LEU A 69 7.159 17.424 -2.309 1.00 41.31 H new ATOM 0 HD23 LEU A 69 8.856 17.051 -2.690 1.00 41.31 H new ATOM 1061 N GLU A 70 10.052 16.529 2.305 1.00 43.32 N ATOM 1062 CA GLU A 70 10.285 16.984 3.684 1.00 3.44 C ATOM 1063 C GLU A 70 11.761 17.362 3.931 1.00 64.30 C ATOM 1064 O GLU A 70 12.104 18.556 3.797 1.00 38.02 O ATOM 1065 CB GLU A 70 9.853 15.893 4.676 1.00 13.44 C ATOM 1066 CG GLU A 70 8.459 15.335 4.412 1.00 35.41 C ATOM 1067 CD GLU A 70 7.938 14.473 5.555 1.00 15.42 C ATOM 1068 OE1 GLU A 70 8.279 13.272 5.611 1.00 2.52 O ATOM 1069 OE2 GLU A 70 7.187 15.001 6.408 1.00 22.32 O ATOM 0 H GLU A 70 9.895 15.525 2.218 1.00 43.32 H new ATOM 0 HA GLU A 70 9.686 17.882 3.837 1.00 3.44 H new ATOM 0 HB2 GLU A 70 10.574 15.076 4.639 1.00 13.44 H new ATOM 0 HB3 GLU A 70 9.885 16.301 5.686 1.00 13.44 H new ATOM 0 HG2 GLU A 70 7.769 16.161 4.243 1.00 35.41 H new ATOM 0 HG3 GLU A 70 8.478 14.743 3.497 1.00 35.41 H new TER 1076 GLU A 70