USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1147 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 Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.172) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00255 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -71:sc= 0.181 USER MOD Single : A 28 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.26) USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= 0.38 (180deg=-0.0199) USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 130:sc= 0.0875 USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 0.993 (180deg=0.57) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 0.712 (180deg=0.197) USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0.806 (180deg=-0.402) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0111 (180deg=-0.127) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.0056) USER MOD Single : A 62 THR OG1 : rot 36:sc= 0.536 USER MOD Single : A 72 TYR OH : rot 109:sc= -0.784 USER MOD Single : A 74 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ -154:sc= 0.507 (180deg=0.167) USER MOD Single : A 84 MET CE :methyl -123:sc= 0 (180deg=-0.87) USER MOD Single : A 87 GLN : amide:sc=-0.00392 X(o=-0.0039,f=-0.42) USER MOD Single : A 89 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.6) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.099) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00994) USER MOD Single : A 109 THR OG1 : rot 160:sc= -0.285 USER MOD Single : A 111 ASN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -136:sc= 1.03 (180deg=0.0465) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= 0.789 (180deg=0.709) USER MOD Single : A 125 LYS NZ :NH3+ 157:sc= -0.44 (180deg=-0.911) USER MOD Single : A 129 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-0.024) USER MOD Single : A 130 HIS : no HE2:sc= 0.42 K(o=0.42,f=-2.7!) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HE2:sc= -0.0974 K(o=-0.097,f=-0.67) USER MOD Single : A 134 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.996 15.977 1.258 1.00 44.31 N ATOM 2 CA MET A 1 0.257 16.070 0.469 1.00 22.25 C ATOM 3 C MET A 1 1.109 14.817 0.711 1.00 44.32 C ATOM 4 O MET A 1 1.462 14.520 1.860 1.00 11.35 O ATOM 5 CB MET A 1 1.040 17.354 0.854 1.00 21.42 C ATOM 6 CG MET A 1 2.391 17.535 0.139 1.00 3.34 C ATOM 7 SD MET A 1 2.222 17.553 -1.660 1.00 43.12 S ATOM 8 CE MET A 1 3.909 17.830 -2.189 1.00 24.04 C ATOM 0 H1 MET A 1 -1.573 16.826 1.094 1.00 44.31 H new ATOM 0 H2 MET A 1 -1.529 15.134 0.965 1.00 44.31 H new ATOM 0 H3 MET A 1 -0.765 15.906 2.269 1.00 44.31 H new ATOM 0 HA MET A 1 0.014 16.129 -0.592 1.00 22.25 H new ATOM 0 HB2 MET A 1 0.414 18.220 0.639 1.00 21.42 H new ATOM 0 HB3 MET A 1 1.214 17.345 1.930 1.00 21.42 H new ATOM 0 HG2 MET A 1 2.851 18.467 0.467 1.00 3.34 H new ATOM 0 HG3 MET A 1 3.064 16.728 0.430 1.00 3.34 H new ATOM 0 HE1 MET A 1 3.919 18.109 -3.243 1.00 24.04 H new ATOM 0 HE2 MET A 1 4.349 18.632 -1.597 1.00 24.04 H new ATOM 0 HE3 MET A 1 4.488 16.917 -2.050 1.00 24.04 H new ATOM 20 N GLY A 2 1.422 14.090 -0.380 1.00 72.41 N ATOM 21 CA GLY A 2 2.228 12.869 -0.321 1.00 71.45 C ATOM 22 C GLY A 2 1.444 11.692 0.265 1.00 50.43 C ATOM 23 O GLY A 2 1.281 11.599 1.486 1.00 51.54 O ATOM 0 H GLY A 2 1.120 14.338 -1.322 1.00 72.41 H new ATOM 0 HA2 GLY A 2 2.572 12.613 -1.323 1.00 71.45 H new ATOM 0 HA3 GLY A 2 3.116 13.050 0.284 1.00 71.45 H new ATOM 27 N THR A 3 0.925 10.811 -0.600 1.00 65.13 N ATOM 28 CA THR A 3 0.113 9.659 -0.188 1.00 3.51 C ATOM 29 C THR A 3 0.809 8.349 -0.606 1.00 14.23 C ATOM 30 O THR A 3 1.031 8.114 -1.791 1.00 25.31 O ATOM 31 CB THR A 3 -1.310 9.746 -0.831 1.00 13.33 C ATOM 32 OG1 THR A 3 -1.932 11.001 -0.492 1.00 15.22 O ATOM 33 CG2 THR A 3 -2.222 8.597 -0.381 1.00 72.31 C ATOM 0 H THR A 3 1.057 10.878 -1.609 1.00 65.13 H new ATOM 0 HA THR A 3 0.006 9.670 0.897 1.00 3.51 H new ATOM 0 HB THR A 3 -1.177 9.670 -1.910 1.00 13.33 H new ATOM 0 HG1 THR A 3 -2.822 11.046 -0.901 1.00 15.22 H new ATOM 0 HG21 THR A 3 -3.199 8.701 -0.854 1.00 72.31 H new ATOM 0 HG22 THR A 3 -1.778 7.645 -0.671 1.00 72.31 H new ATOM 0 HG23 THR A 3 -2.338 8.628 0.702 1.00 72.31 H new ATOM 41 N VAL A 4 1.173 7.519 0.379 1.00 22.44 N ATOM 42 CA VAL A 4 1.785 6.195 0.155 1.00 11.40 C ATOM 43 C VAL A 4 0.750 5.091 0.426 1.00 20.24 C ATOM 44 O VAL A 4 0.006 5.159 1.407 1.00 72.14 O ATOM 45 CB VAL A 4 3.040 5.978 1.082 1.00 35.22 C ATOM 46 CG1 VAL A 4 3.757 4.642 0.772 1.00 41.05 C ATOM 47 CG2 VAL A 4 4.012 7.167 0.965 1.00 3.01 C ATOM 0 H VAL A 4 1.051 7.746 1.366 1.00 22.44 H new ATOM 0 HA VAL A 4 2.115 6.148 -0.883 1.00 11.40 H new ATOM 0 HB VAL A 4 2.686 5.923 2.111 1.00 35.22 H new ATOM 0 HG11 VAL A 4 4.617 4.529 1.432 1.00 41.05 H new ATOM 0 HG12 VAL A 4 3.067 3.813 0.930 1.00 41.05 H new ATOM 0 HG13 VAL A 4 4.093 4.641 -0.265 1.00 41.05 H new ATOM 0 HG21 VAL A 4 4.872 6.999 1.613 1.00 3.01 H new ATOM 0 HG22 VAL A 4 4.348 7.262 -0.068 1.00 3.01 H new ATOM 0 HG23 VAL A 4 3.504 8.083 1.267 1.00 3.01 H new ATOM 57 N VAL A 5 0.712 4.082 -0.452 1.00 24.41 N ATOM 58 CA VAL A 5 -0.163 2.910 -0.335 1.00 35.21 C ATOM 59 C VAL A 5 0.722 1.655 -0.364 1.00 0.03 C ATOM 60 O VAL A 5 1.464 1.449 -1.322 1.00 30.44 O ATOM 61 CB VAL A 5 -1.226 2.855 -1.502 1.00 40.11 C ATOM 62 CG1 VAL A 5 -2.071 1.561 -1.434 1.00 3.42 C ATOM 63 CG2 VAL A 5 -2.126 4.120 -1.499 1.00 34.33 C ATOM 0 H VAL A 5 1.303 4.057 -1.283 1.00 24.41 H new ATOM 0 HA VAL A 5 -0.721 2.969 0.600 1.00 35.21 H new ATOM 0 HB VAL A 5 -0.681 2.839 -2.446 1.00 40.11 H new ATOM 0 HG11 VAL A 5 -2.793 1.554 -2.251 1.00 3.42 H new ATOM 0 HG12 VAL A 5 -1.416 0.694 -1.521 1.00 3.42 H new ATOM 0 HG13 VAL A 5 -2.600 1.522 -0.482 1.00 3.42 H new ATOM 0 HG21 VAL A 5 -2.848 4.055 -2.313 1.00 34.33 H new ATOM 0 HG22 VAL A 5 -2.655 4.188 -0.549 1.00 34.33 H new ATOM 0 HG23 VAL A 5 -1.507 5.007 -1.633 1.00 34.33 H new ATOM 73 N ILE A 6 0.681 0.855 0.711 1.00 4.51 N ATOM 74 CA ILE A 6 1.436 -0.401 0.817 1.00 2.32 C ATOM 75 C ILE A 6 0.479 -1.586 0.614 1.00 43.35 C ATOM 76 O ILE A 6 -0.329 -1.907 1.489 1.00 52.22 O ATOM 77 CB ILE A 6 2.162 -0.505 2.212 1.00 74.40 C ATOM 78 CG1 ILE A 6 3.070 0.745 2.454 1.00 32.51 C ATOM 79 CG2 ILE A 6 2.981 -1.813 2.330 1.00 13.53 C ATOM 80 CD1 ILE A 6 4.105 1.003 1.358 1.00 1.51 C ATOM 0 H ILE A 6 0.119 1.063 1.537 1.00 4.51 H new ATOM 0 HA ILE A 6 2.204 -0.421 0.044 1.00 2.32 H new ATOM 0 HB ILE A 6 1.394 -0.529 2.986 1.00 74.40 H new ATOM 0 HG12 ILE A 6 2.435 1.626 2.550 1.00 32.51 H new ATOM 0 HG13 ILE A 6 3.590 0.622 3.404 1.00 32.51 H new ATOM 0 HG21 ILE A 6 3.468 -1.851 3.304 1.00 13.53 H new ATOM 0 HG22 ILE A 6 2.316 -2.670 2.223 1.00 13.53 H new ATOM 0 HG23 ILE A 6 3.737 -1.841 1.545 1.00 13.53 H new ATOM 0 HD11 ILE A 6 4.689 1.888 1.610 1.00 1.51 H new ATOM 0 HD12 ILE A 6 4.769 0.142 1.275 1.00 1.51 H new ATOM 0 HD13 ILE A 6 3.596 1.162 0.407 1.00 1.51 H new ATOM 92 N VAL A 7 0.562 -2.196 -0.566 1.00 71.42 N ATOM 93 CA VAL A 7 -0.206 -3.392 -0.922 1.00 70.35 C ATOM 94 C VAL A 7 0.681 -4.620 -0.684 1.00 25.55 C ATOM 95 O VAL A 7 1.721 -4.765 -1.327 1.00 32.43 O ATOM 96 CB VAL A 7 -0.676 -3.347 -2.427 1.00 41.21 C ATOM 97 CG1 VAL A 7 -1.416 -4.645 -2.838 1.00 65.24 C ATOM 98 CG2 VAL A 7 -1.547 -2.098 -2.688 1.00 54.55 C ATOM 0 H VAL A 7 1.173 -1.870 -1.315 1.00 71.42 H new ATOM 0 HA VAL A 7 -1.102 -3.441 -0.303 1.00 70.35 H new ATOM 0 HB VAL A 7 0.215 -3.278 -3.051 1.00 41.21 H new ATOM 0 HG11 VAL A 7 -1.723 -4.574 -3.881 1.00 65.24 H new ATOM 0 HG12 VAL A 7 -0.750 -5.499 -2.713 1.00 65.24 H new ATOM 0 HG13 VAL A 7 -2.296 -4.777 -2.209 1.00 65.24 H new ATOM 0 HG21 VAL A 7 -1.861 -2.085 -3.732 1.00 54.55 H new ATOM 0 HG22 VAL A 7 -2.426 -2.127 -2.045 1.00 54.55 H new ATOM 0 HG23 VAL A 7 -0.969 -1.200 -2.472 1.00 54.55 H new ATOM 108 N VAL A 8 0.288 -5.469 0.275 1.00 61.14 N ATOM 109 CA VAL A 8 0.987 -6.725 0.571 1.00 44.14 C ATOM 110 C VAL A 8 0.092 -7.887 0.125 1.00 53.03 C ATOM 111 O VAL A 8 -0.927 -8.194 0.769 1.00 30.21 O ATOM 112 CB VAL A 8 1.328 -6.830 2.105 1.00 1.20 C ATOM 113 CG1 VAL A 8 2.067 -8.147 2.443 1.00 5.22 C ATOM 114 CG2 VAL A 8 2.126 -5.586 2.579 1.00 74.34 C ATOM 0 H VAL A 8 -0.525 -5.303 0.868 1.00 61.14 H new ATOM 0 HA VAL A 8 1.933 -6.760 0.031 1.00 44.14 H new ATOM 0 HB VAL A 8 0.386 -6.851 2.652 1.00 1.20 H new ATOM 0 HG11 VAL A 8 2.283 -8.179 3.511 1.00 5.22 H new ATOM 0 HG12 VAL A 8 1.439 -8.996 2.174 1.00 5.22 H new ATOM 0 HG13 VAL A 8 3.000 -8.195 1.882 1.00 5.22 H new ATOM 0 HG21 VAL A 8 2.350 -5.681 3.641 1.00 74.34 H new ATOM 0 HG22 VAL A 8 3.057 -5.515 2.017 1.00 74.34 H new ATOM 0 HG23 VAL A 8 1.532 -4.687 2.412 1.00 74.34 H new ATOM 124 N SER A 9 0.449 -8.490 -1.011 1.00 61.50 N ATOM 125 CA SER A 9 -0.252 -9.639 -1.585 1.00 73.23 C ATOM 126 C SER A 9 0.792 -10.542 -2.262 1.00 10.34 C ATOM 127 O SER A 9 1.580 -10.063 -3.078 1.00 14.45 O ATOM 128 CB SER A 9 -1.339 -9.171 -2.596 1.00 2.34 C ATOM 129 OG SER A 9 -2.298 -8.315 -1.980 1.00 43.12 O ATOM 0 H SER A 9 1.248 -8.187 -1.568 1.00 61.50 H new ATOM 0 HA SER A 9 -0.767 -10.198 -0.803 1.00 73.23 H new ATOM 0 HB2 SER A 9 -0.863 -8.647 -3.425 1.00 2.34 H new ATOM 0 HB3 SER A 9 -1.844 -10.041 -3.016 1.00 2.34 H new ATOM 0 HG SER A 9 -2.964 -8.039 -2.644 1.00 43.12 H new ATOM 135 N ARG A 10 0.794 -11.841 -1.912 1.00 11.11 N ATOM 136 CA ARG A 10 1.752 -12.829 -2.474 1.00 24.04 C ATOM 137 C ARG A 10 1.231 -13.304 -3.847 1.00 55.52 C ATOM 138 O ARG A 10 2.005 -13.721 -4.715 1.00 15.24 O ATOM 139 CB ARG A 10 1.990 -14.075 -1.517 1.00 22.31 C ATOM 140 CG ARG A 10 1.270 -14.068 -0.148 1.00 32.22 C ATOM 141 CD ARG A 10 1.821 -13.039 0.851 1.00 34.31 C ATOM 142 NE ARG A 10 1.135 -13.136 2.141 1.00 74.23 N ATOM 143 CZ ARG A 10 1.399 -12.409 3.231 1.00 40.23 C ATOM 144 NH1 ARG A 10 2.372 -11.502 3.247 1.00 53.42 N ATOM 145 NH2 ARG A 10 0.666 -12.607 4.310 1.00 53.02 N ATOM 0 H ARG A 10 0.140 -12.240 -1.238 1.00 11.11 H new ATOM 0 HA ARG A 10 2.717 -12.334 -2.579 1.00 24.04 H new ATOM 0 HB2 ARG A 10 1.686 -14.974 -2.053 1.00 22.31 H new ATOM 0 HB3 ARG A 10 3.061 -14.160 -1.334 1.00 22.31 H new ATOM 0 HG2 ARG A 10 0.210 -13.869 -0.309 1.00 32.22 H new ATOM 0 HG3 ARG A 10 1.345 -15.062 0.294 1.00 32.22 H new ATOM 0 HD2 ARG A 10 2.890 -13.200 0.991 1.00 34.31 H new ATOM 0 HD3 ARG A 10 1.700 -12.034 0.446 1.00 34.31 H new ATOM 0 HE ARG A 10 0.385 -13.823 2.215 1.00 74.23 H new ATOM 0 HH11 ARG A 10 2.939 -11.347 2.413 1.00 53.42 H new ATOM 0 HH12 ARG A 10 2.551 -10.961 4.093 1.00 53.42 H new ATOM 0 HH21 ARG A 10 -0.081 -13.301 4.299 1.00 53.02 H new ATOM 0 HH22 ARG A 10 0.846 -12.066 5.155 1.00 53.02 H new ATOM 159 N ASP A 11 -0.102 -13.239 -4.005 1.00 24.01 N ATOM 160 CA ASP A 11 -0.814 -13.717 -5.188 1.00 35.11 C ATOM 161 C ASP A 11 -0.594 -12.757 -6.378 1.00 52.30 C ATOM 162 O ASP A 11 -0.854 -11.552 -6.268 1.00 4.31 O ATOM 163 CB ASP A 11 -2.322 -13.870 -4.863 1.00 23.51 C ATOM 164 CG ASP A 11 -3.113 -14.522 -5.998 1.00 10.31 C ATOM 165 OD1 ASP A 11 -3.240 -15.761 -6.027 1.00 72.13 O ATOM 166 OD2 ASP A 11 -3.590 -13.803 -6.877 1.00 4.44 O ATOM 0 H ASP A 11 -0.721 -12.844 -3.297 1.00 24.01 H new ATOM 0 HA ASP A 11 -0.420 -14.692 -5.474 1.00 35.11 H new ATOM 0 HB2 ASP A 11 -2.435 -14.468 -3.959 1.00 23.51 H new ATOM 0 HB3 ASP A 11 -2.744 -12.888 -4.650 1.00 23.51 H new ATOM 171 N GLU A 12 -0.140 -13.328 -7.501 1.00 24.34 N ATOM 172 CA GLU A 12 0.235 -12.593 -8.725 1.00 63.40 C ATOM 173 C GLU A 12 -0.973 -11.910 -9.382 1.00 21.10 C ATOM 174 O GLU A 12 -0.887 -10.768 -9.853 1.00 14.40 O ATOM 175 CB GLU A 12 0.875 -13.592 -9.729 1.00 25.12 C ATOM 176 CG GLU A 12 2.115 -14.335 -9.207 1.00 10.11 C ATOM 177 CD GLU A 12 3.315 -13.407 -9.018 1.00 3.13 C ATOM 178 OE1 GLU A 12 3.395 -12.720 -7.982 1.00 23.03 O ATOM 179 OE2 GLU A 12 4.179 -13.335 -9.921 1.00 14.54 O ATOM 0 H GLU A 12 -0.019 -14.337 -7.590 1.00 24.34 H new ATOM 0 HA GLU A 12 0.942 -11.811 -8.450 1.00 63.40 H new ATOM 0 HB2 GLU A 12 0.123 -14.328 -10.015 1.00 25.12 H new ATOM 0 HB3 GLU A 12 1.150 -13.049 -10.633 1.00 25.12 H new ATOM 0 HG2 GLU A 12 1.876 -14.813 -8.257 1.00 10.11 H new ATOM 0 HG3 GLU A 12 2.380 -15.129 -9.905 1.00 10.11 H new ATOM 186 N ARG A 13 -2.096 -12.636 -9.382 1.00 40.34 N ATOM 187 CA ARG A 13 -3.333 -12.231 -10.065 1.00 74.03 C ATOM 188 C ARG A 13 -3.866 -10.903 -9.479 1.00 31.20 C ATOM 189 O ARG A 13 -4.236 -9.991 -10.215 1.00 51.53 O ATOM 190 CB ARG A 13 -4.410 -13.325 -9.883 1.00 40.32 C ATOM 191 CG ARG A 13 -3.993 -14.784 -10.213 1.00 73.23 C ATOM 192 CD ARG A 13 -4.778 -15.833 -9.381 1.00 31.22 C ATOM 193 NE ARG A 13 -6.248 -15.634 -9.423 1.00 14.12 N ATOM 194 CZ ARG A 13 -6.983 -15.003 -8.480 1.00 12.41 C ATOM 195 NH1 ARG A 13 -6.420 -14.487 -7.391 1.00 52.31 N ATOM 196 NH2 ARG A 13 -8.287 -14.850 -8.662 1.00 53.41 N ATOM 0 H ARG A 13 -2.174 -13.533 -8.902 1.00 40.34 H new ATOM 0 HA ARG A 13 -3.113 -12.094 -11.124 1.00 74.03 H new ATOM 0 HB2 ARG A 13 -4.752 -13.296 -8.848 1.00 40.32 H new ATOM 0 HB3 ARG A 13 -5.265 -13.067 -10.508 1.00 40.32 H new ATOM 0 HG2 ARG A 13 -4.155 -14.973 -11.274 1.00 73.23 H new ATOM 0 HG3 ARG A 13 -2.926 -14.904 -10.027 1.00 73.23 H new ATOM 0 HD2 ARG A 13 -4.543 -16.831 -9.752 1.00 31.22 H new ATOM 0 HD3 ARG A 13 -4.442 -15.790 -8.345 1.00 31.22 H new ATOM 0 HE ARG A 13 -6.746 -16.005 -10.232 1.00 14.12 H new ATOM 0 HH11 ARG A 13 -5.412 -14.563 -7.253 1.00 52.31 H new ATOM 0 HH12 ARG A 13 -6.996 -14.015 -6.694 1.00 52.31 H new ATOM 0 HH21 ARG A 13 -8.729 -15.207 -9.509 1.00 53.41 H new ATOM 0 HH22 ARG A 13 -8.848 -14.375 -7.955 1.00 53.41 H new ATOM 210 N ILE A 14 -3.878 -10.823 -8.130 1.00 3.34 N ATOM 211 CA ILE A 14 -4.435 -9.675 -7.384 1.00 21.12 C ATOM 212 C ILE A 14 -3.544 -8.422 -7.564 1.00 40.12 C ATOM 213 O ILE A 14 -4.063 -7.316 -7.711 1.00 74.31 O ATOM 214 CB ILE A 14 -4.617 -10.010 -5.847 1.00 32.34 C ATOM 215 CG1 ILE A 14 -5.408 -11.347 -5.667 1.00 13.34 C ATOM 216 CG2 ILE A 14 -5.341 -8.852 -5.110 1.00 60.54 C ATOM 217 CD1 ILE A 14 -5.600 -11.806 -4.230 1.00 21.41 C ATOM 0 H ILE A 14 -3.501 -11.555 -7.528 1.00 3.34 H new ATOM 0 HA ILE A 14 -5.422 -9.464 -7.796 1.00 21.12 H new ATOM 0 HB ILE A 14 -3.627 -10.129 -5.407 1.00 32.34 H new ATOM 0 HG12 ILE A 14 -6.389 -11.233 -6.128 1.00 13.34 H new ATOM 0 HG13 ILE A 14 -4.888 -12.133 -6.215 1.00 13.34 H new ATOM 0 HG21 ILE A 14 -5.454 -9.106 -4.056 1.00 60.54 H new ATOM 0 HG22 ILE A 14 -4.754 -7.938 -5.202 1.00 60.54 H new ATOM 0 HG23 ILE A 14 -6.325 -8.697 -5.553 1.00 60.54 H new ATOM 0 HD11 ILE A 14 -6.160 -12.741 -4.218 1.00 21.41 H new ATOM 0 HD12 ILE A 14 -4.627 -11.960 -3.764 1.00 21.41 H new ATOM 0 HD13 ILE A 14 -6.151 -11.046 -3.676 1.00 21.41 H new ATOM 229 N LEU A 15 -2.202 -8.622 -7.593 1.00 51.52 N ATOM 230 CA LEU A 15 -1.215 -7.520 -7.764 1.00 72.11 C ATOM 231 C LEU A 15 -1.488 -6.704 -9.054 1.00 72.33 C ATOM 232 O LEU A 15 -1.588 -5.466 -9.011 1.00 11.21 O ATOM 233 CB LEU A 15 0.246 -8.077 -7.776 1.00 13.11 C ATOM 234 CG LEU A 15 0.754 -8.720 -6.444 1.00 4.41 C ATOM 235 CD1 LEU A 15 2.143 -9.378 -6.632 1.00 50.20 C ATOM 236 CD2 LEU A 15 0.775 -7.682 -5.292 1.00 4.14 C ATOM 0 H LEU A 15 -1.774 -9.543 -7.500 1.00 51.52 H new ATOM 0 HA LEU A 15 -1.327 -6.850 -6.912 1.00 72.11 H new ATOM 0 HB2 LEU A 15 0.321 -8.824 -8.567 1.00 13.11 H new ATOM 0 HB3 LEU A 15 0.920 -7.263 -8.042 1.00 13.11 H new ATOM 0 HG LEU A 15 0.051 -9.506 -6.168 1.00 4.41 H new ATOM 0 HD11 LEU A 15 2.469 -9.816 -5.689 1.00 50.20 H new ATOM 0 HD12 LEU A 15 2.076 -10.158 -7.390 1.00 50.20 H new ATOM 0 HD13 LEU A 15 2.863 -8.624 -6.950 1.00 50.20 H new ATOM 0 HD21 LEU A 15 1.133 -8.159 -4.379 1.00 4.14 H new ATOM 0 HD22 LEU A 15 1.439 -6.859 -5.556 1.00 4.14 H new ATOM 0 HD23 LEU A 15 -0.232 -7.298 -5.130 1.00 4.14 H new ATOM 248 N GLU A 16 -1.648 -7.413 -10.192 1.00 14.23 N ATOM 249 CA GLU A 16 -1.888 -6.773 -11.506 1.00 30.21 C ATOM 250 C GLU A 16 -3.320 -6.202 -11.614 1.00 61.44 C ATOM 251 O GLU A 16 -3.539 -5.227 -12.340 1.00 34.45 O ATOM 252 CB GLU A 16 -1.599 -7.751 -12.676 1.00 25.22 C ATOM 253 CG GLU A 16 -2.469 -9.023 -12.691 1.00 2.23 C ATOM 254 CD GLU A 16 -2.249 -9.891 -13.937 1.00 34.21 C ATOM 255 OE1 GLU A 16 -3.134 -9.951 -14.808 1.00 70.34 O ATOM 256 OE2 GLU A 16 -1.182 -10.508 -14.060 1.00 35.45 O ATOM 0 H GLU A 16 -1.615 -8.432 -10.228 1.00 14.23 H new ATOM 0 HA GLU A 16 -1.191 -5.938 -11.582 1.00 30.21 H new ATOM 0 HB2 GLU A 16 -1.742 -7.220 -13.617 1.00 25.22 H new ATOM 0 HB3 GLU A 16 -0.551 -8.046 -12.632 1.00 25.22 H new ATOM 0 HG2 GLU A 16 -2.252 -9.614 -11.801 1.00 2.23 H new ATOM 0 HG3 GLU A 16 -3.520 -8.738 -12.636 1.00 2.23 H new ATOM 263 N GLU A 17 -4.284 -6.799 -10.883 1.00 72.42 N ATOM 264 CA GLU A 17 -5.658 -6.265 -10.809 1.00 43.12 C ATOM 265 C GLU A 17 -5.678 -4.894 -10.118 1.00 74.34 C ATOM 266 O GLU A 17 -6.205 -3.932 -10.671 1.00 74.33 O ATOM 267 CB GLU A 17 -6.607 -7.243 -10.071 1.00 2.22 C ATOM 268 CG GLU A 17 -6.922 -8.528 -10.850 1.00 74.12 C ATOM 269 CD GLU A 17 -7.690 -8.272 -12.161 1.00 4.51 C ATOM 270 OE1 GLU A 17 -8.932 -8.137 -12.123 1.00 41.03 O ATOM 271 OE2 GLU A 17 -7.061 -8.195 -13.238 1.00 33.24 O ATOM 0 H GLU A 17 -4.136 -7.648 -10.338 1.00 72.42 H new ATOM 0 HA GLU A 17 -6.015 -6.148 -11.832 1.00 43.12 H new ATOM 0 HB2 GLU A 17 -6.159 -7.513 -9.115 1.00 2.22 H new ATOM 0 HB3 GLU A 17 -7.542 -6.727 -9.851 1.00 2.22 H new ATOM 0 HG2 GLU A 17 -5.990 -9.044 -11.078 1.00 74.12 H new ATOM 0 HG3 GLU A 17 -7.509 -9.194 -10.217 1.00 74.12 H new ATOM 278 N LEU A 18 -5.058 -4.820 -8.920 1.00 74.25 N ATOM 279 CA LEU A 18 -5.012 -3.592 -8.097 1.00 35.02 C ATOM 280 C LEU A 18 -4.195 -2.490 -8.793 1.00 0.43 C ATOM 281 O LEU A 18 -4.447 -1.298 -8.589 1.00 44.21 O ATOM 282 CB LEU A 18 -4.439 -3.900 -6.684 1.00 12.50 C ATOM 283 CG LEU A 18 -5.206 -4.982 -5.856 1.00 10.34 C ATOM 284 CD1 LEU A 18 -4.626 -5.132 -4.433 1.00 75.25 C ATOM 285 CD2 LEU A 18 -6.718 -4.691 -5.818 1.00 44.23 C ATOM 0 H LEU A 18 -4.575 -5.612 -8.496 1.00 74.25 H new ATOM 0 HA LEU A 18 -6.032 -3.226 -7.979 1.00 35.02 H new ATOM 0 HB2 LEU A 18 -3.404 -4.222 -6.796 1.00 12.50 H new ATOM 0 HB3 LEU A 18 -4.424 -2.974 -6.109 1.00 12.50 H new ATOM 0 HG LEU A 18 -5.065 -5.936 -6.363 1.00 10.34 H new ATOM 0 HD11 LEU A 18 -5.186 -5.893 -3.890 1.00 75.25 H new ATOM 0 HD12 LEU A 18 -3.579 -5.428 -4.496 1.00 75.25 H new ATOM 0 HD13 LEU A 18 -4.703 -4.181 -3.907 1.00 75.25 H new ATOM 0 HD21 LEU A 18 -7.222 -5.461 -5.235 1.00 44.23 H new ATOM 0 HD22 LEU A 18 -6.890 -3.718 -5.359 1.00 44.23 H new ATOM 0 HD23 LEU A 18 -7.114 -4.688 -6.834 1.00 44.23 H new ATOM 297 N LEU A 19 -3.224 -2.925 -9.620 1.00 3.44 N ATOM 298 CA LEU A 19 -2.473 -2.044 -10.531 1.00 25.31 C ATOM 299 C LEU A 19 -3.427 -1.355 -11.522 1.00 44.41 C ATOM 300 O LEU A 19 -3.432 -0.129 -11.649 1.00 62.11 O ATOM 301 CB LEU A 19 -1.392 -2.863 -11.292 1.00 45.34 C ATOM 302 CG LEU A 19 -0.580 -2.100 -12.390 1.00 12.24 C ATOM 303 CD1 LEU A 19 0.240 -0.933 -11.792 1.00 65.22 C ATOM 304 CD2 LEU A 19 0.310 -3.076 -13.190 1.00 34.33 C ATOM 0 H LEU A 19 -2.939 -3.903 -9.674 1.00 3.44 H new ATOM 0 HA LEU A 19 -1.977 -1.272 -9.943 1.00 25.31 H new ATOM 0 HB2 LEU A 19 -0.687 -3.259 -10.561 1.00 45.34 H new ATOM 0 HB3 LEU A 19 -1.879 -3.718 -11.761 1.00 45.34 H new ATOM 0 HG LEU A 19 -1.294 -1.656 -13.084 1.00 12.24 H new ATOM 0 HD11 LEU A 19 0.789 -0.429 -12.587 1.00 65.22 H new ATOM 0 HD12 LEU A 19 -0.434 -0.224 -11.311 1.00 65.22 H new ATOM 0 HD13 LEU A 19 0.943 -1.322 -11.056 1.00 65.22 H new ATOM 0 HD21 LEU A 19 0.866 -2.524 -13.948 1.00 34.33 H new ATOM 0 HD22 LEU A 19 1.009 -3.568 -12.514 1.00 34.33 H new ATOM 0 HD23 LEU A 19 -0.316 -3.826 -13.673 1.00 34.33 H new ATOM 316 N GLU A 20 -4.262 -2.174 -12.180 1.00 51.24 N ATOM 317 CA GLU A 20 -5.228 -1.710 -13.190 1.00 4.31 C ATOM 318 C GLU A 20 -6.393 -0.924 -12.563 1.00 3.22 C ATOM 319 O GLU A 20 -6.997 -0.094 -13.240 1.00 31.42 O ATOM 320 CB GLU A 20 -5.737 -2.908 -14.023 1.00 71.22 C ATOM 321 CG GLU A 20 -4.656 -3.536 -14.932 1.00 13.14 C ATOM 322 CD GLU A 20 -5.148 -4.746 -15.741 1.00 45.05 C ATOM 323 OE1 GLU A 20 -6.222 -4.646 -16.379 1.00 72.14 O ATOM 324 OE2 GLU A 20 -4.449 -5.779 -15.783 1.00 71.32 O ATOM 0 H GLU A 20 -4.287 -3.182 -12.026 1.00 51.24 H new ATOM 0 HA GLU A 20 -4.713 -1.016 -13.854 1.00 4.31 H new ATOM 0 HB2 GLU A 20 -6.120 -3.673 -13.347 1.00 71.22 H new ATOM 0 HB3 GLU A 20 -6.573 -2.581 -14.641 1.00 71.22 H new ATOM 0 HG2 GLU A 20 -4.289 -2.776 -15.621 1.00 13.14 H new ATOM 0 HG3 GLU A 20 -3.811 -3.843 -14.316 1.00 13.14 H new ATOM 331 N VAL A 21 -6.686 -1.179 -11.270 1.00 33.10 N ATOM 332 CA VAL A 21 -7.671 -0.395 -10.496 1.00 72.24 C ATOM 333 C VAL A 21 -7.179 1.065 -10.361 1.00 63.40 C ATOM 334 O VAL A 21 -7.959 2.014 -10.536 1.00 71.50 O ATOM 335 CB VAL A 21 -7.930 -1.030 -9.067 1.00 21.12 C ATOM 336 CG1 VAL A 21 -8.825 -0.137 -8.180 1.00 51.34 C ATOM 337 CG2 VAL A 21 -8.537 -2.448 -9.182 1.00 12.00 C ATOM 0 H VAL A 21 -6.249 -1.930 -10.736 1.00 33.10 H new ATOM 0 HA VAL A 21 -8.619 -0.410 -11.033 1.00 72.24 H new ATOM 0 HB VAL A 21 -6.956 -1.105 -8.583 1.00 21.12 H new ATOM 0 HG11 VAL A 21 -8.972 -0.617 -7.212 1.00 51.34 H new ATOM 0 HG12 VAL A 21 -8.345 0.831 -8.036 1.00 51.34 H new ATOM 0 HG13 VAL A 21 -9.791 0.006 -8.665 1.00 51.34 H new ATOM 0 HG21 VAL A 21 -8.702 -2.855 -8.184 1.00 12.00 H new ATOM 0 HG22 VAL A 21 -9.487 -2.395 -9.714 1.00 12.00 H new ATOM 0 HG23 VAL A 21 -7.850 -3.095 -9.728 1.00 12.00 H new ATOM 347 N VAL A 22 -5.864 1.222 -10.094 1.00 24.40 N ATOM 348 CA VAL A 22 -5.200 2.539 -10.058 1.00 20.31 C ATOM 349 C VAL A 22 -5.225 3.185 -11.463 1.00 44.55 C ATOM 350 O VAL A 22 -5.561 4.353 -11.605 1.00 2.04 O ATOM 351 CB VAL A 22 -3.708 2.434 -9.541 1.00 21.43 C ATOM 352 CG1 VAL A 22 -2.978 3.799 -9.588 1.00 4.02 C ATOM 353 CG2 VAL A 22 -3.659 1.829 -8.120 1.00 50.41 C ATOM 0 H VAL A 22 -5.237 0.441 -9.898 1.00 24.40 H new ATOM 0 HA VAL A 22 -5.751 3.165 -9.357 1.00 20.31 H new ATOM 0 HB VAL A 22 -3.178 1.764 -10.218 1.00 21.43 H new ATOM 0 HG11 VAL A 22 -1.958 3.679 -9.224 1.00 4.02 H new ATOM 0 HG12 VAL A 22 -2.956 4.165 -10.615 1.00 4.02 H new ATOM 0 HG13 VAL A 22 -3.506 4.516 -8.958 1.00 4.02 H new ATOM 0 HG21 VAL A 22 -2.623 1.767 -7.786 1.00 50.41 H new ATOM 0 HG22 VAL A 22 -4.223 2.462 -7.435 1.00 50.41 H new ATOM 0 HG23 VAL A 22 -4.096 0.831 -8.134 1.00 50.41 H new ATOM 363 N LEU A 23 -4.915 2.379 -12.493 1.00 65.54 N ATOM 364 CA LEU A 23 -4.783 2.853 -13.889 1.00 41.42 C ATOM 365 C LEU A 23 -6.110 3.411 -14.462 1.00 2.44 C ATOM 366 O LEU A 23 -6.099 4.408 -15.192 1.00 63.14 O ATOM 367 CB LEU A 23 -4.231 1.716 -14.795 1.00 15.11 C ATOM 368 CG LEU A 23 -2.760 1.269 -14.510 1.00 41.03 C ATOM 369 CD1 LEU A 23 -2.329 0.122 -15.460 1.00 61.43 C ATOM 370 CD2 LEU A 23 -1.793 2.475 -14.589 1.00 65.21 C ATOM 0 H LEU A 23 -4.748 1.379 -12.385 1.00 65.54 H new ATOM 0 HA LEU A 23 -4.075 3.682 -13.878 1.00 41.42 H new ATOM 0 HB2 LEU A 23 -4.881 0.847 -14.691 1.00 15.11 H new ATOM 0 HB3 LEU A 23 -4.297 2.041 -15.833 1.00 15.11 H new ATOM 0 HG LEU A 23 -2.714 0.878 -13.493 1.00 41.03 H new ATOM 0 HD11 LEU A 23 -1.302 -0.168 -15.238 1.00 61.43 H new ATOM 0 HD12 LEU A 23 -2.987 -0.735 -15.317 1.00 61.43 H new ATOM 0 HD13 LEU A 23 -2.395 0.462 -16.494 1.00 61.43 H new ATOM 0 HD21 LEU A 23 -0.776 2.140 -14.387 1.00 65.21 H new ATOM 0 HD22 LEU A 23 -1.839 2.914 -15.586 1.00 65.21 H new ATOM 0 HD23 LEU A 23 -2.082 3.222 -13.850 1.00 65.21 H new ATOM 382 N LYS A 24 -7.239 2.768 -14.120 1.00 43.11 N ATOM 383 CA LYS A 24 -8.572 3.169 -14.624 1.00 2.24 C ATOM 384 C LYS A 24 -9.177 4.302 -13.760 1.00 31.54 C ATOM 385 O LYS A 24 -10.096 4.998 -14.206 1.00 23.11 O ATOM 386 CB LYS A 24 -9.509 1.913 -14.723 1.00 42.33 C ATOM 387 CG LYS A 24 -9.810 1.159 -13.393 1.00 40.14 C ATOM 388 CD LYS A 24 -11.070 1.659 -12.650 1.00 74.44 C ATOM 389 CE LYS A 24 -12.367 1.395 -13.438 1.00 5.24 C ATOM 390 NZ LYS A 24 -13.564 1.918 -12.721 1.00 52.12 N ATOM 0 H LYS A 24 -7.259 1.963 -13.493 1.00 43.11 H new ATOM 0 HA LYS A 24 -8.467 3.577 -15.629 1.00 2.24 H new ATOM 0 HB2 LYS A 24 -10.457 2.229 -15.157 1.00 42.33 H new ATOM 0 HB3 LYS A 24 -9.059 1.207 -15.420 1.00 42.33 H new ATOM 0 HG2 LYS A 24 -9.927 0.097 -13.609 1.00 40.14 H new ATOM 0 HG3 LYS A 24 -8.950 1.256 -12.731 1.00 40.14 H new ATOM 0 HD2 LYS A 24 -11.133 1.168 -11.679 1.00 74.44 H new ATOM 0 HD3 LYS A 24 -10.975 2.728 -12.461 1.00 74.44 H new ATOM 0 HE2 LYS A 24 -12.298 1.863 -14.420 1.00 5.24 H new ATOM 0 HE3 LYS A 24 -12.481 0.324 -13.603 1.00 5.24 H new ATOM 0 HZ1 LYS A 24 -14.418 1.722 -13.282 1.00 52.12 H new ATOM 0 HZ2 LYS A 24 -13.644 1.453 -11.794 1.00 52.12 H new ATOM 0 HZ3 LYS A 24 -13.467 2.945 -12.586 1.00 52.12 H new ATOM 404 N SER A 25 -8.648 4.486 -12.526 1.00 13.04 N ATOM 405 CA SER A 25 -9.093 5.545 -11.602 1.00 51.14 C ATOM 406 C SER A 25 -8.160 6.775 -11.742 1.00 21.42 C ATOM 407 O SER A 25 -8.521 7.760 -12.394 1.00 60.34 O ATOM 408 CB SER A 25 -9.139 5.004 -10.146 1.00 4.22 C ATOM 409 OG SER A 25 -9.670 5.962 -9.242 1.00 25.01 O ATOM 0 H SER A 25 -7.902 3.902 -12.148 1.00 13.04 H new ATOM 0 HA SER A 25 -10.105 5.861 -11.856 1.00 51.14 H new ATOM 0 HB2 SER A 25 -9.746 4.099 -10.114 1.00 4.22 H new ATOM 0 HB3 SER A 25 -8.134 4.725 -9.830 1.00 4.22 H new ATOM 0 HG SER A 25 -9.026 6.691 -9.123 1.00 25.01 H new ATOM 415 N ASP A 26 -6.937 6.684 -11.171 1.00 20.44 N ATOM 416 CA ASP A 26 -5.944 7.788 -11.161 1.00 33.33 C ATOM 417 C ASP A 26 -4.547 7.247 -11.586 1.00 15.41 C ATOM 418 O ASP A 26 -3.744 6.862 -10.729 1.00 31.00 O ATOM 419 CB ASP A 26 -5.871 8.460 -9.756 1.00 64.02 C ATOM 420 CG ASP A 26 -7.168 9.172 -9.348 1.00 74.24 C ATOM 421 OD1 ASP A 26 -8.012 8.554 -8.672 1.00 15.54 O ATOM 422 OD2 ASP A 26 -7.352 10.351 -9.724 1.00 24.52 O ATOM 0 H ASP A 26 -6.608 5.840 -10.702 1.00 20.44 H new ATOM 0 HA ASP A 26 -6.261 8.547 -11.876 1.00 33.33 H new ATOM 0 HB2 ASP A 26 -5.633 7.701 -9.011 1.00 64.02 H new ATOM 0 HB3 ASP A 26 -5.053 9.180 -9.749 1.00 64.02 H new ATOM 427 N PRO A 27 -4.240 7.176 -12.927 1.00 43.24 N ATOM 428 CA PRO A 27 -2.941 6.644 -13.447 1.00 24.34 C ATOM 429 C PRO A 27 -1.732 7.607 -13.263 1.00 54.13 C ATOM 430 O PRO A 27 -0.607 7.274 -13.660 1.00 62.51 O ATOM 431 CB PRO A 27 -3.253 6.393 -14.942 1.00 50.14 C ATOM 432 CG PRO A 27 -4.304 7.401 -15.285 1.00 31.00 C ATOM 433 CD PRO A 27 -5.153 7.555 -14.040 1.00 23.03 C ATOM 0 HA PRO A 27 -2.621 5.757 -12.900 1.00 24.34 H new ATOM 0 HB2 PRO A 27 -2.364 6.522 -15.559 1.00 50.14 H new ATOM 0 HB3 PRO A 27 -3.610 5.377 -15.107 1.00 50.14 H new ATOM 0 HG2 PRO A 27 -3.855 8.352 -15.571 1.00 31.00 H new ATOM 0 HG3 PRO A 27 -4.906 7.066 -16.129 1.00 31.00 H new ATOM 0 HD2 PRO A 27 -5.514 8.577 -13.928 1.00 23.03 H new ATOM 0 HD3 PRO A 27 -6.030 6.909 -14.073 1.00 23.03 H new ATOM 441 N ASN A 28 -1.977 8.795 -12.671 1.00 54.34 N ATOM 442 CA ASN A 28 -0.900 9.754 -12.291 1.00 31.21 C ATOM 443 C ASN A 28 -0.089 9.235 -11.093 1.00 21.33 C ATOM 444 O ASN A 28 1.059 9.647 -10.883 1.00 63.10 O ATOM 445 CB ASN A 28 -1.481 11.144 -11.939 1.00 53.23 C ATOM 446 CG ASN A 28 -2.157 11.828 -13.122 1.00 34.25 C ATOM 447 OD1 ASN A 28 -3.358 11.679 -13.331 1.00 63.13 O ATOM 448 ND2 ASN A 28 -1.405 12.609 -13.882 1.00 1.53 N ATOM 0 H ASN A 28 -2.916 9.121 -12.442 1.00 54.34 H new ATOM 0 HA ASN A 28 -0.244 9.849 -13.156 1.00 31.21 H new ATOM 0 HB2 ASN A 28 -2.203 11.035 -11.129 1.00 53.23 H new ATOM 0 HB3 ASN A 28 -0.679 11.782 -11.568 1.00 53.23 H new ATOM 0 HD21 ASN A 28 -1.821 13.109 -14.668 1.00 1.53 H new ATOM 0 HD22 ASN A 28 -0.410 12.711 -13.681 1.00 1.53 H new ATOM 455 N VAL A 29 -0.717 8.351 -10.306 1.00 73.13 N ATOM 456 CA VAL A 29 -0.099 7.722 -9.136 1.00 42.55 C ATOM 457 C VAL A 29 1.060 6.818 -9.589 1.00 41.21 C ATOM 458 O VAL A 29 0.874 5.975 -10.476 1.00 25.22 O ATOM 459 CB VAL A 29 -1.167 6.881 -8.342 1.00 61.50 C ATOM 460 CG1 VAL A 29 -0.544 6.140 -7.143 1.00 72.21 C ATOM 461 CG2 VAL A 29 -2.345 7.771 -7.888 1.00 75.43 C ATOM 0 H VAL A 29 -1.678 8.051 -10.467 1.00 73.13 H new ATOM 0 HA VAL A 29 0.289 8.498 -8.476 1.00 42.55 H new ATOM 0 HB VAL A 29 -1.552 6.124 -9.025 1.00 61.50 H new ATOM 0 HG11 VAL A 29 -1.317 5.573 -6.624 1.00 72.21 H new ATOM 0 HG12 VAL A 29 0.229 5.459 -7.498 1.00 72.21 H new ATOM 0 HG13 VAL A 29 -0.103 6.864 -6.457 1.00 72.21 H new ATOM 0 HG21 VAL A 29 -3.069 7.166 -7.342 1.00 75.43 H new ATOM 0 HG22 VAL A 29 -1.973 8.565 -7.240 1.00 75.43 H new ATOM 0 HG23 VAL A 29 -2.826 8.211 -8.761 1.00 75.43 H new ATOM 471 N LYS A 30 2.253 7.031 -9.003 1.00 32.41 N ATOM 472 CA LYS A 30 3.430 6.186 -9.258 1.00 41.31 C ATOM 473 C LYS A 30 3.168 4.770 -8.728 1.00 10.54 C ATOM 474 O LYS A 30 2.657 4.609 -7.632 1.00 65.22 O ATOM 475 CB LYS A 30 4.693 6.798 -8.589 1.00 72.13 C ATOM 476 CG LYS A 30 5.981 5.959 -8.744 1.00 55.15 C ATOM 477 CD LYS A 30 6.399 5.765 -10.218 1.00 44.25 C ATOM 478 CE LYS A 30 7.570 4.788 -10.367 1.00 41.23 C ATOM 479 NZ LYS A 30 8.774 5.234 -9.619 1.00 15.33 N ATOM 0 H LYS A 30 2.426 7.790 -8.343 1.00 32.41 H new ATOM 0 HA LYS A 30 3.609 6.135 -10.332 1.00 41.31 H new ATOM 0 HB2 LYS A 30 4.868 7.787 -9.012 1.00 72.13 H new ATOM 0 HB3 LYS A 30 4.493 6.937 -7.527 1.00 72.13 H new ATOM 0 HG2 LYS A 30 6.793 6.445 -8.203 1.00 55.15 H new ATOM 0 HG3 LYS A 30 5.830 4.983 -8.283 1.00 55.15 H new ATOM 0 HD2 LYS A 30 5.547 5.397 -10.789 1.00 44.25 H new ATOM 0 HD3 LYS A 30 6.677 6.729 -10.644 1.00 44.25 H new ATOM 0 HE2 LYS A 30 7.267 3.804 -10.010 1.00 41.23 H new ATOM 0 HE3 LYS A 30 7.819 4.681 -11.423 1.00 41.23 H new ATOM 0 HZ1 LYS A 30 9.582 5.300 -10.270 1.00 15.33 H new ATOM 0 HZ2 LYS A 30 8.594 6.166 -9.195 1.00 15.33 H new ATOM 0 HZ3 LYS A 30 8.990 4.548 -8.868 1.00 15.33 H new ATOM 493 N THR A 31 3.482 3.753 -9.522 1.00 41.21 N ATOM 494 CA THR A 31 3.326 2.356 -9.113 1.00 63.44 C ATOM 495 C THR A 31 4.665 1.631 -9.270 1.00 12.21 C ATOM 496 O THR A 31 5.356 1.788 -10.286 1.00 0.22 O ATOM 497 CB THR A 31 2.220 1.640 -9.948 1.00 51.41 C ATOM 498 OG1 THR A 31 2.540 1.730 -11.347 1.00 11.25 O ATOM 499 CG2 THR A 31 0.813 2.234 -9.706 1.00 31.31 C ATOM 0 H THR A 31 3.851 3.870 -10.466 1.00 41.21 H new ATOM 0 HA THR A 31 3.016 2.331 -8.068 1.00 63.44 H new ATOM 0 HB THR A 31 2.195 0.599 -9.625 1.00 51.41 H new ATOM 0 HG1 THR A 31 1.775 1.423 -11.878 1.00 11.25 H new ATOM 0 HG21 THR A 31 0.083 1.698 -10.312 1.00 31.31 H new ATOM 0 HG22 THR A 31 0.553 2.135 -8.652 1.00 31.31 H new ATOM 0 HG23 THR A 31 0.811 3.288 -9.983 1.00 31.31 H new ATOM 507 N VAL A 32 5.023 0.854 -8.237 1.00 44.35 N ATOM 508 CA VAL A 32 6.278 0.084 -8.159 1.00 72.13 C ATOM 509 C VAL A 32 5.951 -1.308 -7.605 1.00 70.31 C ATOM 510 O VAL A 32 5.086 -1.429 -6.745 1.00 50.34 O ATOM 511 CB VAL A 32 7.330 0.782 -7.204 1.00 21.21 C ATOM 512 CG1 VAL A 32 8.660 -0.011 -7.127 1.00 1.11 C ATOM 513 CG2 VAL A 32 7.577 2.254 -7.613 1.00 51.11 C ATOM 0 H VAL A 32 4.435 0.739 -7.411 1.00 44.35 H new ATOM 0 HA VAL A 32 6.715 0.023 -9.156 1.00 72.13 H new ATOM 0 HB VAL A 32 6.898 0.784 -6.203 1.00 21.21 H new ATOM 0 HG11 VAL A 32 9.353 0.504 -6.461 1.00 1.11 H new ATOM 0 HG12 VAL A 32 8.465 -1.013 -6.744 1.00 1.11 H new ATOM 0 HG13 VAL A 32 9.099 -0.083 -8.122 1.00 1.11 H new ATOM 0 HG21 VAL A 32 8.304 2.703 -6.936 1.00 51.11 H new ATOM 0 HG22 VAL A 32 7.960 2.289 -8.633 1.00 51.11 H new ATOM 0 HG23 VAL A 32 6.640 2.809 -7.558 1.00 51.11 H new ATOM 523 N ARG A 33 6.637 -2.345 -8.100 1.00 50.44 N ATOM 524 CA ARG A 33 6.491 -3.716 -7.595 1.00 0.11 C ATOM 525 C ARG A 33 7.878 -4.274 -7.235 1.00 72.40 C ATOM 526 O ARG A 33 8.580 -4.845 -8.080 1.00 3.43 O ATOM 527 CB ARG A 33 5.775 -4.583 -8.663 1.00 31.53 C ATOM 528 CG ARG A 33 5.496 -6.039 -8.232 1.00 40.12 C ATOM 529 CD ARG A 33 4.723 -6.826 -9.298 1.00 25.01 C ATOM 530 NE ARG A 33 4.545 -8.233 -8.921 1.00 34.42 N ATOM 531 CZ ARG A 33 4.448 -9.246 -9.786 1.00 23.45 C ATOM 532 NH1 ARG A 33 4.519 -9.033 -11.101 1.00 52.11 N ATOM 533 NH2 ARG A 33 4.269 -10.461 -9.332 1.00 13.50 N ATOM 0 H ARG A 33 7.309 -2.258 -8.862 1.00 50.44 H new ATOM 0 HA ARG A 33 5.881 -3.729 -6.692 1.00 0.11 H new ATOM 0 HB2 ARG A 33 4.829 -4.108 -8.922 1.00 31.53 H new ATOM 0 HB3 ARG A 33 6.383 -4.597 -9.567 1.00 31.53 H new ATOM 0 HG2 ARG A 33 6.441 -6.542 -8.027 1.00 40.12 H new ATOM 0 HG3 ARG A 33 4.928 -6.037 -7.302 1.00 40.12 H new ATOM 0 HD2 ARG A 33 3.747 -6.366 -9.452 1.00 25.01 H new ATOM 0 HD3 ARG A 33 5.255 -6.770 -10.247 1.00 25.01 H new ATOM 0 HE ARG A 33 4.491 -8.453 -7.927 1.00 34.42 H new ATOM 0 HH11 ARG A 33 4.649 -8.086 -11.458 1.00 52.11 H new ATOM 0 HH12 ARG A 33 4.443 -9.817 -11.749 1.00 52.11 H new ATOM 0 HH21 ARG A 33 4.205 -10.626 -8.327 1.00 13.50 H new ATOM 0 HH22 ARG A 33 4.193 -11.243 -9.983 1.00 13.50 H new ATOM 547 N THR A 34 8.295 -4.003 -5.991 1.00 34.15 N ATOM 548 CA THR A 34 9.525 -4.549 -5.394 1.00 40.41 C ATOM 549 C THR A 34 9.209 -5.251 -4.050 1.00 12.12 C ATOM 550 O THR A 34 8.250 -4.878 -3.359 1.00 11.30 O ATOM 551 CB THR A 34 10.613 -3.432 -5.210 1.00 41.13 C ATOM 552 OG1 THR A 34 11.804 -3.981 -4.623 1.00 31.23 O ATOM 553 CG2 THR A 34 10.114 -2.260 -4.349 1.00 44.45 C ATOM 0 H THR A 34 7.780 -3.389 -5.360 1.00 34.15 H new ATOM 0 HA THR A 34 9.934 -5.292 -6.078 1.00 40.41 H new ATOM 0 HB THR A 34 10.833 -3.045 -6.205 1.00 41.13 H new ATOM 0 HG1 THR A 34 12.584 -3.712 -5.152 1.00 31.23 H new ATOM 0 HG21 THR A 34 10.905 -1.516 -4.253 1.00 44.45 H new ATOM 0 HG22 THR A 34 9.244 -1.806 -4.822 1.00 44.45 H new ATOM 0 HG23 THR A 34 9.839 -2.626 -3.360 1.00 44.45 H new ATOM 561 N ASP A 35 10.016 -6.270 -3.701 1.00 13.31 N ATOM 562 CA ASP A 35 9.962 -6.945 -2.379 1.00 54.53 C ATOM 563 C ASP A 35 11.031 -6.367 -1.425 1.00 24.21 C ATOM 564 O ASP A 35 10.965 -6.580 -0.207 1.00 30.32 O ATOM 565 CB ASP A 35 10.142 -8.480 -2.542 1.00 51.40 C ATOM 566 CG ASP A 35 11.472 -8.873 -3.216 1.00 44.15 C ATOM 567 OD1 ASP A 35 12.451 -9.186 -2.516 1.00 3.01 O ATOM 568 OD2 ASP A 35 11.536 -8.874 -4.462 1.00 33.25 O ATOM 0 H ASP A 35 10.727 -6.653 -4.324 1.00 13.31 H new ATOM 0 HA ASP A 35 8.981 -6.760 -1.941 1.00 54.53 H new ATOM 0 HB2 ASP A 35 10.088 -8.951 -1.560 1.00 51.40 H new ATOM 0 HB3 ASP A 35 9.314 -8.875 -3.131 1.00 51.40 H new ATOM 573 N ASP A 36 12.020 -5.642 -1.990 1.00 41.43 N ATOM 574 CA ASP A 36 13.088 -4.991 -1.216 1.00 51.22 C ATOM 575 C ASP A 36 12.506 -3.768 -0.496 1.00 52.52 C ATOM 576 O ASP A 36 12.189 -2.766 -1.145 1.00 43.11 O ATOM 577 CB ASP A 36 14.250 -4.548 -2.132 1.00 42.41 C ATOM 578 CG ASP A 36 14.831 -5.693 -2.958 1.00 45.12 C ATOM 579 OD1 ASP A 36 15.651 -6.465 -2.432 1.00 33.13 O ATOM 580 OD2 ASP A 36 14.470 -5.827 -4.144 1.00 45.45 O ATOM 0 H ASP A 36 12.097 -5.494 -2.996 1.00 41.43 H new ATOM 0 HA ASP A 36 13.481 -5.705 -0.493 1.00 51.22 H new ATOM 0 HB2 ASP A 36 13.897 -3.766 -2.804 1.00 42.41 H new ATOM 0 HB3 ASP A 36 15.040 -4.111 -1.521 1.00 42.41 H new ATOM 585 N LYS A 37 12.364 -3.871 0.837 1.00 33.35 N ATOM 586 CA LYS A 37 11.700 -2.850 1.670 1.00 64.54 C ATOM 587 C LYS A 37 12.446 -1.503 1.667 1.00 71.35 C ATOM 588 O LYS A 37 11.827 -0.454 1.871 1.00 12.23 O ATOM 589 CB LYS A 37 11.488 -3.372 3.117 1.00 41.21 C ATOM 590 CG LYS A 37 12.760 -3.701 3.923 1.00 51.23 C ATOM 591 CD LYS A 37 12.414 -4.288 5.310 1.00 52.22 C ATOM 592 CE LYS A 37 13.647 -4.655 6.134 1.00 23.14 C ATOM 593 NZ LYS A 37 13.272 -5.201 7.463 1.00 34.40 N ATOM 0 H LYS A 37 12.708 -4.669 1.371 1.00 33.35 H new ATOM 0 HA LYS A 37 10.724 -2.662 1.223 1.00 64.54 H new ATOM 0 HB2 LYS A 37 10.918 -2.625 3.669 1.00 41.21 H new ATOM 0 HB3 LYS A 37 10.873 -4.270 3.069 1.00 41.21 H new ATOM 0 HG2 LYS A 37 13.370 -4.413 3.367 1.00 51.23 H new ATOM 0 HG3 LYS A 37 13.357 -2.798 4.047 1.00 51.23 H new ATOM 0 HD2 LYS A 37 11.817 -3.564 5.865 1.00 52.22 H new ATOM 0 HD3 LYS A 37 11.796 -5.176 5.177 1.00 52.22 H new ATOM 0 HE2 LYS A 37 14.242 -5.390 5.592 1.00 23.14 H new ATOM 0 HE3 LYS A 37 14.273 -3.773 6.266 1.00 23.14 H new ATOM 0 HZ1 LYS A 37 13.912 -4.819 8.188 1.00 34.40 H new ATOM 0 HZ2 LYS A 37 12.293 -4.929 7.686 1.00 34.40 H new ATOM 0 HZ3 LYS A 37 13.348 -6.238 7.446 1.00 34.40 H new ATOM 607 N GLU A 38 13.765 -1.546 1.414 1.00 20.12 N ATOM 608 CA GLU A 38 14.603 -0.337 1.289 1.00 2.12 C ATOM 609 C GLU A 38 14.359 0.347 -0.068 1.00 5.34 C ATOM 610 O GLU A 38 14.263 1.574 -0.133 1.00 22.02 O ATOM 611 CB GLU A 38 16.098 -0.688 1.459 1.00 64.04 C ATOM 612 CG GLU A 38 16.448 -1.258 2.841 1.00 53.30 C ATOM 613 CD GLU A 38 17.914 -1.686 2.935 1.00 33.40 C ATOM 614 OE1 GLU A 38 18.786 -0.824 3.183 1.00 64.34 O ATOM 615 OE2 GLU A 38 18.207 -2.882 2.728 1.00 33.23 O ATOM 0 H GLU A 38 14.281 -2.417 1.290 1.00 20.12 H new ATOM 0 HA GLU A 38 14.324 0.357 2.082 1.00 2.12 H new ATOM 0 HB2 GLU A 38 16.380 -1.413 0.695 1.00 64.04 H new ATOM 0 HB3 GLU A 38 16.694 0.208 1.284 1.00 64.04 H new ATOM 0 HG2 GLU A 38 16.240 -0.508 3.605 1.00 53.30 H new ATOM 0 HG3 GLU A 38 15.807 -2.114 3.052 1.00 53.30 H new ATOM 622 N LYS A 39 14.249 -0.474 -1.135 1.00 53.41 N ATOM 623 CA LYS A 39 13.917 -0.004 -2.500 1.00 73.02 C ATOM 624 C LYS A 39 12.525 0.658 -2.529 1.00 2.43 C ATOM 625 O LYS A 39 12.317 1.645 -3.245 1.00 24.34 O ATOM 626 CB LYS A 39 13.994 -1.184 -3.509 1.00 50.21 C ATOM 627 CG LYS A 39 13.558 -0.878 -4.967 1.00 63.23 C ATOM 628 CD LYS A 39 14.365 0.254 -5.631 1.00 73.32 C ATOM 629 CE LYS A 39 13.916 0.520 -7.075 1.00 22.32 C ATOM 630 NZ LYS A 39 14.610 1.700 -7.655 1.00 4.45 N ATOM 0 H LYS A 39 14.388 -1.483 -1.075 1.00 53.41 H new ATOM 0 HA LYS A 39 14.649 0.748 -2.795 1.00 73.02 H new ATOM 0 HB2 LYS A 39 15.021 -1.549 -3.529 1.00 50.21 H new ATOM 0 HB3 LYS A 39 13.374 -1.997 -3.131 1.00 50.21 H new ATOM 0 HG2 LYS A 39 13.660 -1.784 -5.565 1.00 63.23 H new ATOM 0 HG3 LYS A 39 12.501 -0.610 -4.972 1.00 63.23 H new ATOM 0 HD2 LYS A 39 14.256 1.167 -5.045 1.00 73.32 H new ATOM 0 HD3 LYS A 39 15.424 -0.005 -5.624 1.00 73.32 H new ATOM 0 HE2 LYS A 39 14.118 -0.359 -7.687 1.00 22.32 H new ATOM 0 HE3 LYS A 39 12.839 0.683 -7.097 1.00 22.32 H new ATOM 0 HZ1 LYS A 39 14.736 1.560 -8.678 1.00 4.45 H new ATOM 0 HZ2 LYS A 39 14.040 2.554 -7.490 1.00 4.45 H new ATOM 0 HZ3 LYS A 39 15.540 1.812 -7.204 1.00 4.45 H new ATOM 644 N VAL A 40 11.588 0.113 -1.726 1.00 70.24 N ATOM 645 CA VAL A 40 10.260 0.709 -1.515 1.00 51.43 C ATOM 646 C VAL A 40 10.406 2.167 -1.018 1.00 0.02 C ATOM 647 O VAL A 40 9.813 3.083 -1.588 1.00 11.30 O ATOM 648 CB VAL A 40 9.407 -0.116 -0.476 1.00 44.24 C ATOM 649 CG1 VAL A 40 8.047 0.554 -0.222 1.00 2.23 C ATOM 650 CG2 VAL A 40 9.210 -1.583 -0.925 1.00 71.33 C ATOM 0 H VAL A 40 11.734 -0.753 -1.207 1.00 70.24 H new ATOM 0 HA VAL A 40 9.738 0.693 -2.472 1.00 51.43 H new ATOM 0 HB VAL A 40 9.969 -0.128 0.458 1.00 44.24 H new ATOM 0 HG11 VAL A 40 7.480 -0.036 0.498 1.00 2.23 H new ATOM 0 HG12 VAL A 40 8.204 1.557 0.174 1.00 2.23 H new ATOM 0 HG13 VAL A 40 7.492 0.616 -1.158 1.00 2.23 H new ATOM 0 HG21 VAL A 40 8.617 -2.115 -0.181 1.00 71.33 H new ATOM 0 HG22 VAL A 40 8.692 -1.604 -1.884 1.00 71.33 H new ATOM 0 HG23 VAL A 40 10.182 -2.066 -1.027 1.00 71.33 H new ATOM 660 N LYS A 41 11.262 2.352 0.011 1.00 3.54 N ATOM 661 CA LYS A 41 11.510 3.666 0.654 1.00 44.24 C ATOM 662 C LYS A 41 12.161 4.664 -0.319 1.00 41.35 C ATOM 663 O LYS A 41 11.857 5.862 -0.277 1.00 71.44 O ATOM 664 CB LYS A 41 12.404 3.504 1.908 1.00 23.44 C ATOM 665 CG LYS A 41 11.834 2.554 2.970 1.00 23.01 C ATOM 666 CD LYS A 41 12.701 2.501 4.242 1.00 0.24 C ATOM 667 CE LYS A 41 12.177 1.476 5.248 1.00 31.13 C ATOM 668 NZ LYS A 41 12.825 1.597 6.583 1.00 74.12 N ATOM 0 H LYS A 41 11.804 1.592 0.422 1.00 3.54 H new ATOM 0 HA LYS A 41 10.540 4.064 0.952 1.00 44.24 H new ATOM 0 HB2 LYS A 41 13.383 3.138 1.598 1.00 23.44 H new ATOM 0 HB3 LYS A 41 12.558 4.484 2.359 1.00 23.44 H new ATOM 0 HG2 LYS A 41 10.826 2.873 3.235 1.00 23.01 H new ATOM 0 HG3 LYS A 41 11.751 1.552 2.549 1.00 23.01 H new ATOM 0 HD2 LYS A 41 13.727 2.252 3.972 1.00 0.24 H new ATOM 0 HD3 LYS A 41 12.724 3.487 4.707 1.00 0.24 H new ATOM 0 HE2 LYS A 41 11.100 1.600 5.359 1.00 31.13 H new ATOM 0 HE3 LYS A 41 12.344 0.472 4.858 1.00 31.13 H new ATOM 0 HZ1 LYS A 41 13.220 0.676 6.862 1.00 74.12 H new ATOM 0 HZ2 LYS A 41 13.589 2.301 6.536 1.00 74.12 H new ATOM 0 HZ3 LYS A 41 12.120 1.898 7.285 1.00 74.12 H new ATOM 682 N GLU A 42 13.052 4.144 -1.185 1.00 51.30 N ATOM 683 CA GLU A 42 13.670 4.920 -2.275 1.00 75.51 C ATOM 684 C GLU A 42 12.586 5.509 -3.187 1.00 63.33 C ATOM 685 O GLU A 42 12.599 6.691 -3.506 1.00 43.51 O ATOM 686 CB GLU A 42 14.626 4.028 -3.111 1.00 60.12 C ATOM 687 CG GLU A 42 15.815 3.448 -2.330 1.00 5.42 C ATOM 688 CD GLU A 42 16.765 4.520 -1.777 1.00 61.25 C ATOM 689 OE1 GLU A 42 17.506 5.134 -2.573 1.00 31.12 O ATOM 690 OE2 GLU A 42 16.783 4.760 -0.545 1.00 51.50 O ATOM 0 H GLU A 42 13.363 3.173 -1.148 1.00 51.30 H new ATOM 0 HA GLU A 42 14.246 5.731 -1.830 1.00 75.51 H new ATOM 0 HB2 GLU A 42 14.052 3.204 -3.536 1.00 60.12 H new ATOM 0 HB3 GLU A 42 15.009 4.614 -3.946 1.00 60.12 H new ATOM 0 HG2 GLU A 42 15.438 2.846 -1.503 1.00 5.42 H new ATOM 0 HG3 GLU A 42 16.376 2.778 -2.982 1.00 5.42 H new ATOM 697 N GLU A 43 11.624 4.665 -3.559 1.00 64.12 N ATOM 698 CA GLU A 43 10.520 5.058 -4.442 1.00 31.23 C ATOM 699 C GLU A 43 9.503 5.985 -3.742 1.00 63.53 C ATOM 700 O GLU A 43 8.897 6.841 -4.400 1.00 3.43 O ATOM 701 CB GLU A 43 9.823 3.795 -4.988 1.00 45.04 C ATOM 702 CG GLU A 43 10.751 2.885 -5.810 1.00 52.12 C ATOM 703 CD GLU A 43 11.416 3.608 -6.991 1.00 1.53 C ATOM 704 OE1 GLU A 43 12.644 3.798 -6.981 1.00 73.21 O ATOM 705 OE2 GLU A 43 10.710 4.003 -7.934 1.00 2.03 O ATOM 0 H GLU A 43 11.586 3.691 -3.259 1.00 64.12 H new ATOM 0 HA GLU A 43 10.942 5.631 -5.268 1.00 31.23 H new ATOM 0 HB2 GLU A 43 9.416 3.225 -4.153 1.00 45.04 H new ATOM 0 HB3 GLU A 43 8.980 4.096 -5.609 1.00 45.04 H new ATOM 0 HG2 GLU A 43 11.525 2.481 -5.157 1.00 52.12 H new ATOM 0 HG3 GLU A 43 10.178 2.038 -6.187 1.00 52.12 H new ATOM 712 N ILE A 44 9.324 5.799 -2.415 1.00 51.51 N ATOM 713 CA ILE A 44 8.416 6.623 -1.586 1.00 13.43 C ATOM 714 C ILE A 44 8.870 8.095 -1.617 1.00 44.54 C ATOM 715 O ILE A 44 8.068 9.002 -1.900 1.00 72.10 O ATOM 716 CB ILE A 44 8.347 6.096 -0.087 1.00 24.55 C ATOM 717 CG1 ILE A 44 7.596 4.724 -0.002 1.00 75.23 C ATOM 718 CG2 ILE A 44 7.709 7.135 0.876 1.00 21.25 C ATOM 719 CD1 ILE A 44 7.544 4.100 1.393 1.00 23.45 C ATOM 0 H ILE A 44 9.806 5.071 -1.888 1.00 51.51 H new ATOM 0 HA ILE A 44 7.413 6.545 -2.006 1.00 13.43 H new ATOM 0 HB ILE A 44 9.376 5.945 0.239 1.00 24.55 H new ATOM 0 HG12 ILE A 44 6.576 4.863 -0.360 1.00 75.23 H new ATOM 0 HG13 ILE A 44 8.078 4.020 -0.680 1.00 75.23 H new ATOM 0 HG21 ILE A 44 7.685 6.728 1.887 1.00 21.25 H new ATOM 0 HG22 ILE A 44 8.301 8.050 0.868 1.00 21.25 H new ATOM 0 HG23 ILE A 44 6.693 7.357 0.550 1.00 21.25 H new ATOM 0 HD11 ILE A 44 7.004 3.154 1.349 1.00 23.45 H new ATOM 0 HD12 ILE A 44 8.558 3.923 1.750 1.00 23.45 H new ATOM 0 HD13 ILE A 44 7.032 4.778 2.076 1.00 23.45 H new ATOM 731 N GLU A 45 10.177 8.313 -1.361 1.00 22.23 N ATOM 732 CA GLU A 45 10.747 9.666 -1.326 1.00 51.51 C ATOM 733 C GLU A 45 10.828 10.275 -2.737 1.00 55.24 C ATOM 734 O GLU A 45 10.700 11.485 -2.873 1.00 72.02 O ATOM 735 CB GLU A 45 12.113 9.694 -0.578 1.00 52.41 C ATOM 736 CG GLU A 45 13.262 8.826 -1.155 1.00 72.11 C ATOM 737 CD GLU A 45 14.071 9.468 -2.308 1.00 64.33 C ATOM 738 OE1 GLU A 45 14.106 10.715 -2.422 1.00 62.34 O ATOM 739 OE2 GLU A 45 14.720 8.728 -3.078 1.00 51.45 O ATOM 0 H GLU A 45 10.851 7.570 -1.177 1.00 22.23 H new ATOM 0 HA GLU A 45 10.071 10.299 -0.751 1.00 51.51 H new ATOM 0 HB2 GLU A 45 12.457 10.728 -0.544 1.00 52.41 H new ATOM 0 HB3 GLU A 45 11.939 9.381 0.452 1.00 52.41 H new ATOM 0 HG2 GLU A 45 13.949 8.581 -0.346 1.00 72.11 H new ATOM 0 HG3 GLU A 45 12.840 7.886 -1.511 1.00 72.11 H new ATOM 746 N LYS A 46 11.013 9.423 -3.779 1.00 14.41 N ATOM 747 CA LYS A 46 10.999 9.864 -5.200 1.00 4.52 C ATOM 748 C LYS A 46 9.613 10.395 -5.608 1.00 63.12 C ATOM 749 O LYS A 46 9.510 11.419 -6.294 1.00 64.31 O ATOM 750 CB LYS A 46 11.431 8.713 -6.160 1.00 43.23 C ATOM 751 CG LYS A 46 12.931 8.351 -6.096 1.00 21.10 C ATOM 752 CD LYS A 46 13.324 7.229 -7.090 1.00 12.45 C ATOM 753 CE LYS A 46 13.116 7.631 -8.560 1.00 4.42 C ATOM 754 NZ LYS A 46 13.909 8.836 -8.918 1.00 62.01 N ATOM 0 H LYS A 46 11.174 8.423 -3.661 1.00 14.41 H new ATOM 0 HA LYS A 46 11.722 10.675 -5.288 1.00 4.52 H new ATOM 0 HB2 LYS A 46 10.846 7.824 -5.926 1.00 43.23 H new ATOM 0 HB3 LYS A 46 11.183 8.998 -7.182 1.00 43.23 H new ATOM 0 HG2 LYS A 46 13.524 9.241 -6.308 1.00 21.10 H new ATOM 0 HG3 LYS A 46 13.180 8.036 -5.083 1.00 21.10 H new ATOM 0 HD2 LYS A 46 14.370 6.964 -6.936 1.00 12.45 H new ATOM 0 HD3 LYS A 46 12.734 6.338 -6.876 1.00 12.45 H new ATOM 0 HE2 LYS A 46 13.401 6.802 -9.208 1.00 4.42 H new ATOM 0 HE3 LYS A 46 12.058 7.825 -8.738 1.00 4.42 H new ATOM 0 HZ1 LYS A 46 13.865 8.988 -9.946 1.00 62.01 H new ATOM 0 HZ2 LYS A 46 13.519 9.666 -8.428 1.00 62.01 H new ATOM 0 HZ3 LYS A 46 14.899 8.698 -8.630 1.00 62.01 H new ATOM 768 N ALA A 47 8.552 9.699 -5.167 1.00 3.34 N ATOM 769 CA ALA A 47 7.157 10.125 -5.402 1.00 41.12 C ATOM 770 C ALA A 47 6.835 11.394 -4.592 1.00 42.05 C ATOM 771 O ALA A 47 6.019 12.211 -5.012 1.00 34.32 O ATOM 772 CB ALA A 47 6.179 9.000 -5.046 1.00 45.04 C ATOM 0 H ALA A 47 8.633 8.829 -4.640 1.00 3.34 H new ATOM 0 HA ALA A 47 7.045 10.354 -6.462 1.00 41.12 H new ATOM 0 HB1 ALA A 47 5.158 9.335 -5.227 1.00 45.04 H new ATOM 0 HB2 ALA A 47 6.389 8.127 -5.663 1.00 45.04 H new ATOM 0 HB3 ALA A 47 6.294 8.737 -3.994 1.00 45.04 H new ATOM 778 N ARG A 48 7.499 11.536 -3.427 1.00 44.33 N ATOM 779 CA ARG A 48 7.405 12.732 -2.570 1.00 25.43 C ATOM 780 C ARG A 48 8.137 13.937 -3.221 1.00 71.41 C ATOM 781 O ARG A 48 7.705 15.089 -3.061 1.00 55.50 O ATOM 782 CB ARG A 48 7.964 12.406 -1.149 1.00 54.20 C ATOM 783 CG ARG A 48 8.006 13.595 -0.163 1.00 3.43 C ATOM 784 CD ARG A 48 6.633 14.269 0.056 1.00 13.21 C ATOM 785 NE ARG A 48 6.753 15.485 0.882 1.00 74.23 N ATOM 786 CZ ARG A 48 6.901 16.734 0.409 1.00 21.12 C ATOM 787 NH1 ARG A 48 6.957 16.969 -0.902 1.00 44.43 N ATOM 788 NH2 ARG A 48 7.003 17.743 1.261 1.00 31.24 N ATOM 0 H ARG A 48 8.120 10.818 -3.053 1.00 44.33 H new ATOM 0 HA ARG A 48 6.359 13.018 -2.464 1.00 25.43 H new ATOM 0 HB2 ARG A 48 7.356 11.614 -0.711 1.00 54.20 H new ATOM 0 HB3 ARG A 48 8.974 12.010 -1.257 1.00 54.20 H new ATOM 0 HG2 ARG A 48 8.387 13.246 0.797 1.00 3.43 H new ATOM 0 HG3 ARG A 48 8.711 14.339 -0.534 1.00 3.43 H new ATOM 0 HD2 ARG A 48 6.194 14.525 -0.908 1.00 13.21 H new ATOM 0 HD3 ARG A 48 5.954 13.566 0.538 1.00 13.21 H new ATOM 0 HE ARG A 48 6.721 15.368 1.895 1.00 74.23 H new ATOM 0 HH11 ARG A 48 6.887 16.195 -1.562 1.00 44.43 H new ATOM 0 HH12 ARG A 48 7.070 17.923 -1.245 1.00 44.43 H new ATOM 0 HH21 ARG A 48 6.969 17.568 2.265 1.00 31.24 H new ATOM 0 HH22 ARG A 48 7.116 18.695 0.913 1.00 31.24 H new ATOM 802 N LYS A 49 9.220 13.658 -3.985 1.00 11.24 N ATOM 803 CA LYS A 49 9.932 14.692 -4.779 1.00 2.24 C ATOM 804 C LYS A 49 9.008 15.202 -5.900 1.00 63.31 C ATOM 805 O LYS A 49 8.889 16.409 -6.125 1.00 22.45 O ATOM 806 CB LYS A 49 11.255 14.146 -5.396 1.00 25.31 C ATOM 807 CG LYS A 49 12.316 13.678 -4.378 1.00 51.51 C ATOM 808 CD LYS A 49 12.793 14.797 -3.425 1.00 34.22 C ATOM 809 CE LYS A 49 13.744 14.267 -2.340 1.00 33.23 C ATOM 810 NZ LYS A 49 14.226 15.359 -1.450 1.00 64.23 N ATOM 0 H LYS A 49 9.621 12.724 -4.069 1.00 11.24 H new ATOM 0 HA LYS A 49 10.195 15.508 -4.106 1.00 2.24 H new ATOM 0 HB2 LYS A 49 11.012 13.310 -6.052 1.00 25.31 H new ATOM 0 HB3 LYS A 49 11.693 14.925 -6.020 1.00 25.31 H new ATOM 0 HG2 LYS A 49 11.905 12.860 -3.787 1.00 51.51 H new ATOM 0 HG3 LYS A 49 13.176 13.281 -4.918 1.00 51.51 H new ATOM 0 HD2 LYS A 49 13.298 15.572 -4.001 1.00 34.22 H new ATOM 0 HD3 LYS A 49 11.928 15.263 -2.952 1.00 34.22 H new ATOM 0 HE2 LYS A 49 13.232 13.511 -1.744 1.00 33.23 H new ATOM 0 HE3 LYS A 49 14.597 13.778 -2.811 1.00 33.23 H new ATOM 0 HZ1 LYS A 49 14.865 14.964 -0.731 1.00 64.23 H new ATOM 0 HZ2 LYS A 49 14.736 16.068 -2.015 1.00 64.23 H new ATOM 0 HZ3 LYS A 49 13.414 15.809 -0.982 1.00 64.23 H new ATOM 824 N GLN A 50 8.337 14.244 -6.572 1.00 24.14 N ATOM 825 CA GLN A 50 7.331 14.532 -7.611 1.00 35.40 C ATOM 826 C GLN A 50 6.080 15.178 -6.988 1.00 1.12 C ATOM 827 O GLN A 50 5.345 15.900 -7.661 1.00 51.31 O ATOM 828 CB GLN A 50 6.928 13.219 -8.344 1.00 31.13 C ATOM 829 CG GLN A 50 8.084 12.450 -9.021 1.00 53.43 C ATOM 830 CD GLN A 50 8.903 13.264 -10.033 1.00 12.31 C ATOM 831 OE1 GLN A 50 10.106 13.045 -10.182 1.00 43.31 O ATOM 832 NE2 GLN A 50 8.265 14.175 -10.759 1.00 11.30 N ATOM 0 H GLN A 50 8.479 13.247 -6.408 1.00 24.14 H new ATOM 0 HA GLN A 50 7.768 15.227 -8.328 1.00 35.40 H new ATOM 0 HB2 GLN A 50 6.447 12.556 -7.625 1.00 31.13 H new ATOM 0 HB3 GLN A 50 6.184 13.461 -9.102 1.00 31.13 H new ATOM 0 HG2 GLN A 50 8.756 12.080 -8.247 1.00 53.43 H new ATOM 0 HG3 GLN A 50 7.672 11.578 -9.528 1.00 53.43 H new ATOM 0 HE21 GLN A 50 7.268 14.336 -10.614 1.00 11.30 H new ATOM 0 HE22 GLN A 50 8.772 14.714 -11.461 1.00 11.30 H new ATOM 841 N GLY A 51 5.858 14.881 -5.690 1.00 22.20 N ATOM 842 CA GLY A 51 4.689 15.351 -4.945 1.00 31.22 C ATOM 843 C GLY A 51 3.420 14.567 -5.274 1.00 53.41 C ATOM 844 O GLY A 51 2.324 14.976 -4.894 1.00 43.43 O ATOM 0 H GLY A 51 6.492 14.306 -5.135 1.00 22.20 H new ATOM 0 HA2 GLY A 51 4.891 15.275 -3.877 1.00 31.22 H new ATOM 0 HA3 GLY A 51 4.525 16.406 -5.164 1.00 31.22 H new ATOM 848 N ARG A 52 3.580 13.447 -5.992 1.00 22.41 N ATOM 849 CA ARG A 52 2.469 12.583 -6.425 1.00 54.20 C ATOM 850 C ARG A 52 2.273 11.428 -5.415 1.00 4.22 C ATOM 851 O ARG A 52 3.162 11.170 -4.586 1.00 1.04 O ATOM 852 CB ARG A 52 2.754 12.025 -7.855 1.00 32.01 C ATOM 853 CG ARG A 52 3.922 11.019 -7.943 1.00 4.04 C ATOM 854 CD ARG A 52 4.068 10.400 -9.343 1.00 64.20 C ATOM 855 NE ARG A 52 4.357 11.399 -10.381 1.00 53.43 N ATOM 856 CZ ARG A 52 4.145 11.230 -11.695 1.00 52.01 C ATOM 857 NH1 ARG A 52 3.612 10.105 -12.173 1.00 45.32 N ATOM 858 NH2 ARG A 52 4.479 12.196 -12.530 1.00 32.30 N ATOM 0 H ARG A 52 4.495 13.110 -6.293 1.00 22.41 H new ATOM 0 HA ARG A 52 1.551 13.169 -6.460 1.00 54.20 H new ATOM 0 HB2 ARG A 52 1.850 11.543 -8.227 1.00 32.01 H new ATOM 0 HB3 ARG A 52 2.965 12.863 -8.520 1.00 32.01 H new ATOM 0 HG2 ARG A 52 4.851 11.522 -7.674 1.00 4.04 H new ATOM 0 HG3 ARG A 52 3.767 10.224 -7.213 1.00 4.04 H new ATOM 0 HD2 ARG A 52 4.867 9.659 -9.326 1.00 64.20 H new ATOM 0 HD3 ARG A 52 3.149 9.872 -9.599 1.00 64.20 H new ATOM 0 HE ARG A 52 4.749 12.291 -10.079 1.00 53.43 H new ATOM 0 HH11 ARG A 52 3.356 9.351 -11.536 1.00 45.32 H new ATOM 0 HH12 ARG A 52 3.460 9.999 -13.176 1.00 45.32 H new ATOM 0 HH21 ARG A 52 4.893 13.058 -12.174 1.00 32.30 H new ATOM 0 HH22 ARG A 52 4.323 12.081 -13.531 1.00 32.30 H new ATOM 872 N PRO A 53 1.102 10.722 -5.439 1.00 22.34 N ATOM 873 CA PRO A 53 0.911 9.491 -4.645 1.00 64.20 C ATOM 874 C PRO A 53 1.723 8.308 -5.211 1.00 73.21 C ATOM 875 O PRO A 53 2.278 8.389 -6.322 1.00 62.33 O ATOM 876 CB PRO A 53 -0.621 9.226 -4.725 1.00 72.11 C ATOM 877 CG PRO A 53 -1.208 10.476 -5.318 1.00 60.21 C ATOM 878 CD PRO A 53 -0.133 11.069 -6.187 1.00 64.11 C ATOM 0 HA PRO A 53 1.263 9.602 -3.620 1.00 64.20 H new ATOM 0 HB2 PRO A 53 -0.838 8.357 -5.345 1.00 72.11 H new ATOM 0 HB3 PRO A 53 -1.038 9.025 -3.738 1.00 72.11 H new ATOM 0 HG2 PRO A 53 -2.100 10.249 -5.902 1.00 60.21 H new ATOM 0 HG3 PRO A 53 -1.508 11.175 -4.537 1.00 60.21 H new ATOM 0 HD2 PRO A 53 -0.136 10.640 -7.189 1.00 64.11 H new ATOM 0 HD3 PRO A 53 -0.250 12.147 -6.302 1.00 64.11 H new ATOM 886 N ILE A 54 1.761 7.202 -4.457 1.00 52.22 N ATOM 887 CA ILE A 54 2.475 5.987 -4.860 1.00 2.41 C ATOM 888 C ILE A 54 1.802 4.742 -4.256 1.00 41.53 C ATOM 889 O ILE A 54 1.335 4.771 -3.118 1.00 62.24 O ATOM 890 CB ILE A 54 4.005 6.061 -4.486 1.00 42.55 C ATOM 891 CG1 ILE A 54 4.786 4.833 -5.056 1.00 21.52 C ATOM 892 CG2 ILE A 54 4.226 6.214 -2.956 1.00 34.24 C ATOM 893 CD1 ILE A 54 6.293 4.954 -4.978 1.00 15.33 C ATOM 0 H ILE A 54 1.298 7.126 -3.552 1.00 52.22 H new ATOM 0 HA ILE A 54 2.420 5.907 -5.946 1.00 2.41 H new ATOM 0 HB ILE A 54 4.407 6.959 -4.955 1.00 42.55 H new ATOM 0 HG12 ILE A 54 4.478 3.939 -4.514 1.00 21.52 H new ATOM 0 HG13 ILE A 54 4.500 4.688 -6.098 1.00 21.52 H new ATOM 0 HG21 ILE A 54 5.294 6.261 -2.746 1.00 34.24 H new ATOM 0 HG22 ILE A 54 3.747 7.130 -2.609 1.00 34.24 H new ATOM 0 HG23 ILE A 54 3.791 5.359 -2.438 1.00 34.24 H new ATOM 0 HD11 ILE A 54 6.752 4.058 -5.395 1.00 15.33 H new ATOM 0 HD12 ILE A 54 6.618 5.826 -5.545 1.00 15.33 H new ATOM 0 HD13 ILE A 54 6.596 5.065 -3.937 1.00 15.33 H new ATOM 905 N VAL A 55 1.707 3.673 -5.067 1.00 35.45 N ATOM 906 CA VAL A 55 1.212 2.356 -4.655 1.00 24.54 C ATOM 907 C VAL A 55 2.333 1.330 -4.890 1.00 1.03 C ATOM 908 O VAL A 55 2.822 1.183 -6.015 1.00 22.12 O ATOM 909 CB VAL A 55 -0.084 1.929 -5.454 1.00 4.05 C ATOM 910 CG1 VAL A 55 -0.602 0.556 -4.979 1.00 15.31 C ATOM 911 CG2 VAL A 55 -1.195 2.995 -5.343 1.00 33.13 C ATOM 0 H VAL A 55 1.980 3.706 -6.049 1.00 35.45 H new ATOM 0 HA VAL A 55 0.935 2.400 -3.602 1.00 24.54 H new ATOM 0 HB VAL A 55 0.196 1.845 -6.504 1.00 4.05 H new ATOM 0 HG11 VAL A 55 -1.494 0.288 -5.546 1.00 15.31 H new ATOM 0 HG12 VAL A 55 0.169 -0.198 -5.137 1.00 15.31 H new ATOM 0 HG13 VAL A 55 -0.848 0.607 -3.918 1.00 15.31 H new ATOM 0 HG21 VAL A 55 -2.070 2.668 -5.904 1.00 33.13 H new ATOM 0 HG22 VAL A 55 -1.465 3.131 -4.296 1.00 33.13 H new ATOM 0 HG23 VAL A 55 -0.835 3.940 -5.751 1.00 33.13 H new ATOM 921 N ILE A 56 2.745 0.651 -3.816 1.00 52.12 N ATOM 922 CA ILE A 56 3.793 -0.370 -3.847 1.00 34.23 C ATOM 923 C ILE A 56 3.135 -1.756 -3.757 1.00 61.00 C ATOM 924 O ILE A 56 2.355 -2.008 -2.841 1.00 14.25 O ATOM 925 CB ILE A 56 4.796 -0.198 -2.647 1.00 21.05 C ATOM 926 CG1 ILE A 56 5.365 1.258 -2.578 1.00 51.30 C ATOM 927 CG2 ILE A 56 5.944 -1.235 -2.742 1.00 62.05 C ATOM 928 CD1 ILE A 56 6.362 1.616 -3.672 1.00 5.00 C ATOM 0 H ILE A 56 2.353 0.798 -2.886 1.00 52.12 H new ATOM 0 HA ILE A 56 4.352 -0.265 -4.777 1.00 34.23 H new ATOM 0 HB ILE A 56 4.244 -0.378 -1.725 1.00 21.05 H new ATOM 0 HG12 ILE A 56 4.532 1.959 -2.624 1.00 51.30 H new ATOM 0 HG13 ILE A 56 5.846 1.398 -1.610 1.00 51.30 H new ATOM 0 HG21 ILE A 56 6.627 -1.100 -1.903 1.00 62.05 H new ATOM 0 HG22 ILE A 56 5.528 -2.242 -2.712 1.00 62.05 H new ATOM 0 HG23 ILE A 56 6.486 -1.094 -3.677 1.00 62.05 H new ATOM 0 HD11 ILE A 56 6.697 2.644 -3.537 1.00 5.00 H new ATOM 0 HD12 ILE A 56 7.219 0.945 -3.617 1.00 5.00 H new ATOM 0 HD13 ILE A 56 5.884 1.515 -4.647 1.00 5.00 H new ATOM 940 N PHE A 57 3.460 -2.627 -4.709 1.00 45.10 N ATOM 941 CA PHE A 57 2.976 -4.006 -4.756 1.00 13.23 C ATOM 942 C PHE A 57 4.107 -4.923 -4.299 1.00 71.32 C ATOM 943 O PHE A 57 5.079 -5.149 -5.029 1.00 63.34 O ATOM 944 CB PHE A 57 2.521 -4.357 -6.196 1.00 53.42 C ATOM 945 CG PHE A 57 1.424 -3.437 -6.720 1.00 34.41 C ATOM 946 CD1 PHE A 57 0.092 -3.654 -6.371 1.00 1.52 C ATOM 947 CD2 PHE A 57 1.725 -2.342 -7.538 1.00 50.40 C ATOM 948 CE1 PHE A 57 -0.900 -2.811 -6.819 1.00 41.10 C ATOM 949 CE2 PHE A 57 0.725 -1.503 -7.989 1.00 62.21 C ATOM 950 CZ PHE A 57 -0.585 -1.737 -7.626 1.00 15.32 C ATOM 0 H PHE A 57 4.079 -2.391 -5.485 1.00 45.10 H new ATOM 0 HA PHE A 57 2.117 -4.134 -4.097 1.00 13.23 H new ATOM 0 HB2 PHE A 57 3.380 -4.305 -6.865 1.00 53.42 H new ATOM 0 HB3 PHE A 57 2.163 -5.386 -6.216 1.00 53.42 H new ATOM 0 HD1 PHE A 57 -0.165 -4.493 -5.742 1.00 1.52 H new ATOM 0 HD2 PHE A 57 2.750 -2.151 -7.819 1.00 50.40 H new ATOM 0 HE1 PHE A 57 -1.927 -2.991 -6.538 1.00 41.10 H new ATOM 0 HE2 PHE A 57 0.968 -0.665 -8.625 1.00 62.21 H new ATOM 0 HZ PHE A 57 -1.366 -1.078 -7.974 1.00 15.32 H new ATOM 960 N ILE A 58 3.989 -5.411 -3.074 1.00 61.44 N ATOM 961 CA ILE A 58 4.984 -6.284 -2.459 1.00 22.31 C ATOM 962 C ILE A 58 4.453 -7.718 -2.486 1.00 34.14 C ATOM 963 O ILE A 58 3.469 -8.036 -1.795 1.00 72.25 O ATOM 964 CB ILE A 58 5.294 -5.866 -0.970 1.00 1.44 C ATOM 965 CG1 ILE A 58 5.472 -4.321 -0.850 1.00 13.00 C ATOM 966 CG2 ILE A 58 6.552 -6.614 -0.446 1.00 23.24 C ATOM 967 CD1 ILE A 58 5.543 -3.805 0.570 1.00 53.02 C ATOM 0 H ILE A 58 3.192 -5.211 -2.470 1.00 61.44 H new ATOM 0 HA ILE A 58 5.913 -6.201 -3.023 1.00 22.31 H new ATOM 0 HB ILE A 58 4.444 -6.152 -0.350 1.00 1.44 H new ATOM 0 HG12 ILE A 58 6.383 -4.031 -1.374 1.00 13.00 H new ATOM 0 HG13 ILE A 58 4.642 -3.832 -1.360 1.00 13.00 H new ATOM 0 HG21 ILE A 58 6.752 -6.314 0.583 1.00 23.24 H new ATOM 0 HG22 ILE A 58 6.378 -7.689 -0.483 1.00 23.24 H new ATOM 0 HG23 ILE A 58 7.410 -6.364 -1.070 1.00 23.24 H new ATOM 0 HD11 ILE A 58 5.667 -2.722 0.558 1.00 53.02 H new ATOM 0 HD12 ILE A 58 4.623 -4.059 1.096 1.00 53.02 H new ATOM 0 HD13 ILE A 58 6.391 -4.262 1.081 1.00 53.02 H new ATOM 979 N ARG A 59 5.075 -8.568 -3.311 1.00 71.32 N ATOM 980 CA ARG A 59 4.828 -10.006 -3.284 1.00 33.54 C ATOM 981 C ARG A 59 5.522 -10.600 -2.054 1.00 1.34 C ATOM 982 O ARG A 59 6.722 -10.365 -1.834 1.00 51.04 O ATOM 983 CB ARG A 59 5.330 -10.688 -4.578 1.00 71.32 C ATOM 984 CG ARG A 59 5.288 -12.230 -4.538 1.00 61.24 C ATOM 985 CD ARG A 59 5.747 -12.868 -5.850 1.00 1.12 C ATOM 986 NE ARG A 59 7.047 -12.351 -6.315 1.00 12.45 N ATOM 987 CZ ARG A 59 7.378 -12.147 -7.596 1.00 71.02 C ATOM 988 NH1 ARG A 59 6.514 -12.396 -8.578 1.00 42.40 N ATOM 989 NH2 ARG A 59 8.584 -11.699 -7.886 1.00 74.24 N ATOM 0 H ARG A 59 5.758 -8.277 -4.010 1.00 71.32 H new ATOM 0 HA ARG A 59 3.754 -10.184 -3.225 1.00 33.54 H new ATOM 0 HB2 ARG A 59 4.726 -10.341 -5.416 1.00 71.32 H new ATOM 0 HB3 ARG A 59 6.354 -10.369 -4.770 1.00 71.32 H new ATOM 0 HG2 ARG A 59 5.921 -12.585 -3.725 1.00 61.24 H new ATOM 0 HG3 ARG A 59 4.272 -12.556 -4.316 1.00 61.24 H new ATOM 0 HD2 ARG A 59 5.817 -13.948 -5.718 1.00 1.12 H new ATOM 0 HD3 ARG A 59 4.995 -12.689 -6.618 1.00 1.12 H new ATOM 0 HE ARG A 59 7.748 -12.132 -5.607 1.00 12.45 H new ATOM 0 HH11 ARG A 59 5.582 -12.748 -8.360 1.00 42.40 H new ATOM 0 HH12 ARG A 59 6.784 -12.234 -9.548 1.00 42.40 H new ATOM 0 HH21 ARG A 59 9.252 -11.512 -7.138 1.00 74.24 H new ATOM 0 HH22 ARG A 59 8.849 -11.539 -8.858 1.00 74.24 H new ATOM 1003 N GLY A 60 4.758 -11.347 -1.262 1.00 55.10 N ATOM 1004 CA GLY A 60 5.256 -11.943 -0.037 1.00 11.53 C ATOM 1005 C GLY A 60 5.170 -10.952 1.111 1.00 72.03 C ATOM 1006 O GLY A 60 4.082 -10.430 1.361 1.00 20.25 O ATOM 0 H GLY A 60 3.778 -11.553 -1.456 1.00 55.10 H new ATOM 0 HA2 GLY A 60 4.677 -12.835 0.201 1.00 11.53 H new ATOM 0 HA3 GLY A 60 6.290 -12.260 -0.174 1.00 11.53 H new ATOM 1010 N ALA A 61 6.320 -10.687 1.765 1.00 64.31 N ATOM 1011 CA ALA A 61 6.464 -9.772 2.926 1.00 53.14 C ATOM 1012 C ALA A 61 5.912 -10.386 4.236 1.00 0.32 C ATOM 1013 O ALA A 61 5.131 -11.346 4.230 1.00 12.25 O ATOM 1014 CB ALA A 61 5.859 -8.374 2.664 1.00 64.12 C ATOM 0 H ALA A 61 7.205 -11.116 1.494 1.00 64.31 H new ATOM 0 HA ALA A 61 7.537 -9.635 3.060 1.00 53.14 H new ATOM 0 HB1 ALA A 61 5.993 -7.748 3.546 1.00 64.12 H new ATOM 0 HB2 ALA A 61 6.361 -7.914 1.813 1.00 64.12 H new ATOM 0 HB3 ALA A 61 4.795 -8.473 2.448 1.00 64.12 H new ATOM 1020 N THR A 62 6.361 -9.808 5.356 1.00 34.11 N ATOM 1021 CA THR A 62 5.950 -10.182 6.718 1.00 71.24 C ATOM 1022 C THR A 62 6.065 -8.925 7.614 1.00 12.10 C ATOM 1023 O THR A 62 6.305 -7.836 7.083 1.00 33.11 O ATOM 1024 CB THR A 62 6.821 -11.379 7.254 1.00 34.40 C ATOM 1025 OG1 THR A 62 6.262 -11.890 8.478 1.00 44.42 O ATOM 1026 CG2 THR A 62 8.304 -10.994 7.476 1.00 62.54 C ATOM 0 H THR A 62 7.039 -9.046 5.342 1.00 34.11 H new ATOM 0 HA THR A 62 4.917 -10.530 6.726 1.00 71.24 H new ATOM 0 HB THR A 62 6.802 -12.150 6.484 1.00 34.40 H new ATOM 0 HG1 THR A 62 5.284 -11.846 8.434 1.00 44.42 H new ATOM 0 HG21 THR A 62 8.853 -11.860 7.846 1.00 62.54 H new ATOM 0 HG22 THR A 62 8.739 -10.664 6.533 1.00 62.54 H new ATOM 0 HG23 THR A 62 8.365 -10.187 8.206 1.00 62.54 H new ATOM 1034 N GLU A 63 5.909 -9.069 8.947 1.00 10.14 N ATOM 1035 CA GLU A 63 5.858 -7.917 9.886 1.00 4.10 C ATOM 1036 C GLU A 63 7.061 -6.976 9.740 1.00 24.31 C ATOM 1037 O GLU A 63 6.889 -5.787 9.457 1.00 42.52 O ATOM 1038 CB GLU A 63 5.731 -8.383 11.364 1.00 30.03 C ATOM 1039 CG GLU A 63 5.456 -7.226 12.345 1.00 34.12 C ATOM 1040 CD GLU A 63 5.481 -7.645 13.820 1.00 33.52 C ATOM 1041 OE1 GLU A 63 4.499 -8.263 14.292 1.00 10.11 O ATOM 1042 OE2 GLU A 63 6.479 -7.350 14.519 1.00 60.24 O ATOM 0 H GLU A 63 5.815 -9.976 9.404 1.00 10.14 H new ATOM 0 HA GLU A 63 4.963 -7.357 9.614 1.00 4.10 H new ATOM 0 HB2 GLU A 63 4.926 -9.114 11.440 1.00 30.03 H new ATOM 0 HB3 GLU A 63 6.650 -8.890 11.659 1.00 30.03 H new ATOM 0 HG2 GLU A 63 6.198 -6.444 12.187 1.00 34.12 H new ATOM 0 HG3 GLU A 63 4.482 -6.792 12.117 1.00 34.12 H new ATOM 1049 N GLU A 64 8.272 -7.539 9.882 1.00 11.45 N ATOM 1050 CA GLU A 64 9.526 -6.765 9.906 1.00 5.33 C ATOM 1051 C GLU A 64 9.797 -6.053 8.567 1.00 22.54 C ATOM 1052 O GLU A 64 10.596 -5.116 8.516 1.00 4.20 O ATOM 1053 CB GLU A 64 10.708 -7.685 10.322 1.00 70.12 C ATOM 1054 CG GLU A 64 11.136 -8.777 9.296 1.00 31.44 C ATOM 1055 CD GLU A 64 12.339 -8.370 8.420 1.00 51.33 C ATOM 1056 OE1 GLU A 64 12.150 -7.967 7.255 1.00 33.44 O ATOM 1057 OE2 GLU A 64 13.484 -8.427 8.915 1.00 42.34 O ATOM 0 H GLU A 64 8.410 -8.544 9.984 1.00 11.45 H new ATOM 0 HA GLU A 64 9.423 -5.976 10.651 1.00 5.33 H new ATOM 0 HB2 GLU A 64 11.573 -7.055 10.530 1.00 70.12 H new ATOM 0 HB3 GLU A 64 10.442 -8.180 11.256 1.00 70.12 H new ATOM 0 HG2 GLU A 64 11.384 -9.692 9.835 1.00 31.44 H new ATOM 0 HG3 GLU A 64 10.289 -9.007 8.650 1.00 31.44 H new ATOM 1064 N VAL A 65 9.158 -6.535 7.483 1.00 4.43 N ATOM 1065 CA VAL A 65 9.193 -5.872 6.170 1.00 62.02 C ATOM 1066 C VAL A 65 8.238 -4.661 6.169 1.00 64.22 C ATOM 1067 O VAL A 65 8.669 -3.502 6.041 1.00 2.41 O ATOM 1068 CB VAL A 65 8.784 -6.854 4.998 1.00 70.22 C ATOM 1069 CG1 VAL A 65 8.975 -6.196 3.606 1.00 61.21 C ATOM 1070 CG2 VAL A 65 9.529 -8.207 5.098 1.00 13.02 C ATOM 0 H VAL A 65 8.605 -7.392 7.495 1.00 4.43 H new ATOM 0 HA VAL A 65 10.219 -5.547 5.998 1.00 62.02 H new ATOM 0 HB VAL A 65 7.720 -7.064 5.112 1.00 70.22 H new ATOM 0 HG11 VAL A 65 8.684 -6.901 2.827 1.00 61.21 H new ATOM 0 HG12 VAL A 65 8.354 -5.303 3.538 1.00 61.21 H new ATOM 0 HG13 VAL A 65 10.022 -5.921 3.474 1.00 61.21 H new ATOM 0 HG21 VAL A 65 9.221 -8.853 4.276 1.00 13.02 H new ATOM 0 HG22 VAL A 65 10.604 -8.035 5.042 1.00 13.02 H new ATOM 0 HG23 VAL A 65 9.287 -8.686 6.047 1.00 13.02 H new ATOM 1080 N VAL A 66 6.940 -4.962 6.382 1.00 70.33 N ATOM 1081 CA VAL A 66 5.844 -4.000 6.199 1.00 55.32 C ATOM 1082 C VAL A 66 5.975 -2.821 7.181 1.00 23.23 C ATOM 1083 O VAL A 66 6.011 -1.674 6.751 1.00 44.21 O ATOM 1084 CB VAL A 66 4.433 -4.686 6.352 1.00 10.42 C ATOM 1085 CG1 VAL A 66 3.277 -3.690 6.064 1.00 62.15 C ATOM 1086 CG2 VAL A 66 4.321 -5.941 5.451 1.00 35.41 C ATOM 0 H VAL A 66 6.626 -5.883 6.687 1.00 70.33 H new ATOM 0 HA VAL A 66 5.920 -3.616 5.182 1.00 55.32 H new ATOM 0 HB VAL A 66 4.339 -5.006 7.390 1.00 10.42 H new ATOM 0 HG11 VAL A 66 2.320 -4.200 6.180 1.00 62.15 H new ATOM 0 HG12 VAL A 66 3.331 -2.857 6.765 1.00 62.15 H new ATOM 0 HG13 VAL A 66 3.367 -3.313 5.045 1.00 62.15 H new ATOM 0 HG21 VAL A 66 3.337 -6.393 5.578 1.00 35.41 H new ATOM 0 HG22 VAL A 66 4.457 -5.654 4.408 1.00 35.41 H new ATOM 0 HG23 VAL A 66 5.090 -6.661 5.732 1.00 35.41 H new ATOM 1096 N ARG A 67 6.108 -3.131 8.496 1.00 34.12 N ATOM 1097 CA ARG A 67 6.186 -2.101 9.570 1.00 55.44 C ATOM 1098 C ARG A 67 7.426 -1.202 9.397 1.00 30.53 C ATOM 1099 O ARG A 67 7.410 -0.032 9.782 1.00 60.54 O ATOM 1100 CB ARG A 67 6.203 -2.747 10.991 1.00 64.45 C ATOM 1101 CG ARG A 67 7.537 -3.417 11.395 1.00 61.31 C ATOM 1102 CD ARG A 67 7.494 -4.040 12.797 1.00 4.13 C ATOM 1103 NE ARG A 67 7.261 -3.041 13.855 1.00 31.04 N ATOM 1104 CZ ARG A 67 7.047 -3.329 15.148 1.00 5.33 C ATOM 1105 NH1 ARG A 67 7.013 -4.595 15.568 1.00 75.55 N ATOM 1106 NH2 ARG A 67 6.849 -2.342 16.016 1.00 42.50 N ATOM 0 H ARG A 67 6.164 -4.089 8.841 1.00 34.12 H new ATOM 0 HA ARG A 67 5.289 -1.488 9.479 1.00 55.44 H new ATOM 0 HB2 ARG A 67 5.965 -1.977 11.725 1.00 64.45 H new ATOM 0 HB3 ARG A 67 5.410 -3.493 11.043 1.00 64.45 H new ATOM 0 HG2 ARG A 67 7.784 -4.190 10.667 1.00 61.31 H new ATOM 0 HG3 ARG A 67 8.336 -2.676 11.357 1.00 61.31 H new ATOM 0 HD2 ARG A 67 6.705 -4.792 12.832 1.00 4.13 H new ATOM 0 HD3 ARG A 67 8.435 -4.556 12.990 1.00 4.13 H new ATOM 0 HE ARG A 67 7.263 -2.058 13.584 1.00 31.04 H new ATOM 0 HH11 ARG A 67 7.151 -5.357 14.904 1.00 75.55 H new ATOM 0 HH12 ARG A 67 6.850 -4.801 16.553 1.00 75.55 H new ATOM 0 HH21 ARG A 67 6.860 -1.373 15.698 1.00 42.50 H new ATOM 0 HH22 ARG A 67 6.686 -2.554 17.000 1.00 42.50 H new ATOM 1120 N ASP A 68 8.492 -1.779 8.800 1.00 62.31 N ATOM 1121 CA ASP A 68 9.759 -1.072 8.549 1.00 54.14 C ATOM 1122 C ASP A 68 9.570 -0.027 7.434 1.00 24.33 C ATOM 1123 O ASP A 68 10.142 1.056 7.480 1.00 42.52 O ATOM 1124 CB ASP A 68 10.883 -2.074 8.190 1.00 41.12 C ATOM 1125 CG ASP A 68 12.272 -1.419 8.119 1.00 75.41 C ATOM 1126 OD1 ASP A 68 12.845 -1.296 7.016 1.00 12.25 O ATOM 1127 OD2 ASP A 68 12.788 -1.001 9.175 1.00 61.31 O ATOM 0 H ASP A 68 8.494 -2.748 8.480 1.00 62.31 H new ATOM 0 HA ASP A 68 10.057 -0.552 9.459 1.00 54.14 H new ATOM 0 HB2 ASP A 68 10.901 -2.872 8.932 1.00 41.12 H new ATOM 0 HB3 ASP A 68 10.656 -2.537 7.230 1.00 41.12 H new ATOM 1132 N ILE A 69 8.752 -0.370 6.437 1.00 13.11 N ATOM 1133 CA ILE A 69 8.345 0.567 5.369 1.00 72.15 C ATOM 1134 C ILE A 69 7.385 1.647 5.916 1.00 44.00 C ATOM 1135 O ILE A 69 7.527 2.840 5.618 1.00 70.22 O ATOM 1136 CB ILE A 69 7.636 -0.209 4.210 1.00 35.20 C ATOM 1137 CG1 ILE A 69 8.576 -1.303 3.624 1.00 55.02 C ATOM 1138 CG2 ILE A 69 7.140 0.760 3.118 1.00 50.44 C ATOM 1139 CD1 ILE A 69 7.909 -2.254 2.651 1.00 45.13 C ATOM 0 H ILE A 69 8.349 -1.302 6.340 1.00 13.11 H new ATOM 0 HA ILE A 69 9.245 1.052 4.991 1.00 72.15 H new ATOM 0 HB ILE A 69 6.760 -0.712 4.620 1.00 35.20 H new ATOM 0 HG12 ILE A 69 9.410 -0.815 3.120 1.00 55.02 H new ATOM 0 HG13 ILE A 69 8.996 -1.882 4.447 1.00 55.02 H new ATOM 0 HG21 ILE A 69 6.651 0.195 2.325 1.00 50.44 H new ATOM 0 HG22 ILE A 69 6.430 1.464 3.552 1.00 50.44 H new ATOM 0 HG23 ILE A 69 7.987 1.307 2.705 1.00 50.44 H new ATOM 0 HD11 ILE A 69 8.639 -2.981 2.295 1.00 45.13 H new ATOM 0 HD12 ILE A 69 7.093 -2.775 3.153 1.00 45.13 H new ATOM 0 HD13 ILE A 69 7.514 -1.691 1.805 1.00 45.13 H new ATOM 1151 N VAL A 70 6.410 1.191 6.716 1.00 24.21 N ATOM 1152 CA VAL A 70 5.333 2.033 7.253 1.00 52.42 C ATOM 1153 C VAL A 70 5.894 3.123 8.191 1.00 70.24 C ATOM 1154 O VAL A 70 5.450 4.276 8.130 1.00 31.30 O ATOM 1155 CB VAL A 70 4.257 1.142 7.981 1.00 4.23 C ATOM 1156 CG1 VAL A 70 3.224 1.987 8.743 1.00 72.11 C ATOM 1157 CG2 VAL A 70 3.549 0.206 6.971 1.00 64.15 C ATOM 0 H VAL A 70 6.347 0.217 7.011 1.00 24.21 H new ATOM 0 HA VAL A 70 4.845 2.543 6.423 1.00 52.42 H new ATOM 0 HB VAL A 70 4.787 0.535 8.715 1.00 4.23 H new ATOM 0 HG11 VAL A 70 2.503 1.329 9.229 1.00 72.11 H new ATOM 0 HG12 VAL A 70 3.731 2.589 9.497 1.00 72.11 H new ATOM 0 HG13 VAL A 70 2.704 2.643 8.045 1.00 72.11 H new ATOM 0 HG21 VAL A 70 2.810 -0.401 7.494 1.00 64.15 H new ATOM 0 HG22 VAL A 70 3.053 0.804 6.207 1.00 64.15 H new ATOM 0 HG23 VAL A 70 4.286 -0.445 6.500 1.00 64.15 H new ATOM 1167 N GLU A 71 6.915 2.763 9.007 1.00 10.34 N ATOM 1168 CA GLU A 71 7.570 3.723 9.915 1.00 35.45 C ATOM 1169 C GLU A 71 8.267 4.835 9.119 1.00 2.52 C ATOM 1170 O GLU A 71 8.273 5.984 9.546 1.00 61.33 O ATOM 1171 CB GLU A 71 8.534 3.015 10.928 1.00 24.55 C ATOM 1172 CG GLU A 71 9.715 2.193 10.346 1.00 74.12 C ATOM 1173 CD GLU A 71 11.006 2.992 10.064 1.00 62.12 C ATOM 1174 OE1 GLU A 71 11.671 3.401 11.032 1.00 21.54 O ATOM 1175 OE2 GLU A 71 11.378 3.199 8.888 1.00 42.25 O ATOM 0 H GLU A 71 7.298 1.819 9.051 1.00 10.34 H new ATOM 0 HA GLU A 71 6.795 4.192 10.520 1.00 35.45 H new ATOM 0 HB2 GLU A 71 8.949 3.779 11.586 1.00 24.55 H new ATOM 0 HB3 GLU A 71 7.936 2.349 11.550 1.00 24.55 H new ATOM 0 HG2 GLU A 71 9.952 1.388 11.041 1.00 74.12 H new ATOM 0 HG3 GLU A 71 9.387 1.726 9.417 1.00 74.12 H new ATOM 1182 N TYR A 72 8.801 4.484 7.927 1.00 64.25 N ATOM 1183 CA TYR A 72 9.413 5.462 7.010 1.00 10.24 C ATOM 1184 C TYR A 72 8.366 6.464 6.509 1.00 20.20 C ATOM 1185 O TYR A 72 8.562 7.673 6.620 1.00 74.32 O ATOM 1186 CB TYR A 72 10.105 4.757 5.814 1.00 14.22 C ATOM 1187 CG TYR A 72 10.828 5.732 4.858 1.00 24.44 C ATOM 1188 CD1 TYR A 72 12.061 6.294 5.204 1.00 51.52 C ATOM 1189 CD2 TYR A 72 10.264 6.112 3.634 1.00 11.13 C ATOM 1190 CE1 TYR A 72 12.697 7.194 4.371 1.00 44.15 C ATOM 1191 CE2 TYR A 72 10.905 7.006 2.797 1.00 73.34 C ATOM 1192 CZ TYR A 72 12.117 7.545 3.174 1.00 2.23 C ATOM 1193 OH TYR A 72 12.753 8.454 2.357 1.00 1.04 O ATOM 0 H TYR A 72 8.818 3.525 7.580 1.00 64.25 H new ATOM 0 HA TYR A 72 10.176 6.006 7.567 1.00 10.24 H new ATOM 0 HB2 TYR A 72 10.826 4.034 6.196 1.00 14.22 H new ATOM 0 HB3 TYR A 72 9.358 4.196 5.252 1.00 14.22 H new ATOM 0 HD1 TYR A 72 12.525 6.019 6.140 1.00 51.52 H new ATOM 0 HD2 TYR A 72 9.311 5.699 3.339 1.00 11.13 H new ATOM 0 HE1 TYR A 72 13.647 7.621 4.659 1.00 44.15 H new ATOM 0 HE2 TYR A 72 10.459 7.281 1.853 1.00 73.34 H new ATOM 0 HH TYR A 72 13.105 7.993 1.567 1.00 1.04 H new ATOM 1203 N ALA A 73 7.238 5.935 5.993 1.00 5.32 N ATOM 1204 CA ALA A 73 6.144 6.756 5.433 1.00 42.33 C ATOM 1205 C ALA A 73 5.500 7.664 6.510 1.00 24.14 C ATOM 1206 O ALA A 73 4.996 8.748 6.196 1.00 53.20 O ATOM 1207 CB ALA A 73 5.099 5.849 4.764 1.00 12.10 C ATOM 0 H ALA A 73 7.060 4.932 5.952 1.00 5.32 H new ATOM 0 HA ALA A 73 6.565 7.418 4.677 1.00 42.33 H new ATOM 0 HB1 ALA A 73 4.296 6.461 4.354 1.00 12.10 H new ATOM 0 HB2 ALA A 73 5.570 5.282 3.961 1.00 12.10 H new ATOM 0 HB3 ALA A 73 4.689 5.160 5.502 1.00 12.10 H new ATOM 1213 N GLN A 74 5.542 7.214 7.782 1.00 73.12 N ATOM 1214 CA GLN A 74 5.056 8.001 8.936 1.00 23.14 C ATOM 1215 C GLN A 74 6.073 9.092 9.347 1.00 63.21 C ATOM 1216 O GLN A 74 5.672 10.203 9.699 1.00 33.05 O ATOM 1217 CB GLN A 74 4.744 7.079 10.144 1.00 43.30 C ATOM 1218 CG GLN A 74 3.526 6.157 9.948 1.00 31.24 C ATOM 1219 CD GLN A 74 3.220 5.312 11.187 1.00 54.22 C ATOM 1220 OE1 GLN A 74 3.724 4.200 11.340 1.00 22.45 O ATOM 1221 NE2 GLN A 74 2.384 5.833 12.075 1.00 45.25 N ATOM 0 H GLN A 74 5.912 6.299 8.038 1.00 73.12 H new ATOM 0 HA GLN A 74 4.135 8.495 8.626 1.00 23.14 H new ATOM 0 HB2 GLN A 74 5.620 6.464 10.350 1.00 43.30 H new ATOM 0 HB3 GLN A 74 4.576 7.700 11.024 1.00 43.30 H new ATOM 0 HG2 GLN A 74 2.653 6.762 9.701 1.00 31.24 H new ATOM 0 HG3 GLN A 74 3.707 5.498 9.099 1.00 31.24 H new ATOM 0 HE21 GLN A 74 1.984 6.758 11.917 1.00 45.25 H new ATOM 0 HE22 GLN A 74 2.141 5.309 12.916 1.00 45.25 H new ATOM 1230 N LYS A 75 7.386 8.771 9.291 1.00 61.42 N ATOM 1231 CA LYS A 75 8.468 9.740 9.618 1.00 41.32 C ATOM 1232 C LYS A 75 8.503 10.882 8.584 1.00 20.21 C ATOM 1233 O LYS A 75 8.749 12.044 8.931 1.00 4.14 O ATOM 1234 CB LYS A 75 9.854 9.039 9.697 1.00 33.35 C ATOM 1235 CG LYS A 75 10.052 8.130 10.934 1.00 1.52 C ATOM 1236 CD LYS A 75 11.425 7.411 10.937 1.00 74.53 C ATOM 1237 CE LYS A 75 11.646 6.546 9.685 1.00 23.45 C ATOM 1238 NZ LYS A 75 12.913 5.770 9.740 1.00 50.54 N ATOM 0 H LYS A 75 7.726 7.848 9.022 1.00 61.42 H new ATOM 0 HA LYS A 75 8.249 10.161 10.599 1.00 41.32 H new ATOM 0 HB2 LYS A 75 9.994 8.440 8.797 1.00 33.35 H new ATOM 0 HB3 LYS A 75 10.632 9.802 9.696 1.00 33.35 H new ATOM 0 HG2 LYS A 75 9.959 8.730 11.839 1.00 1.52 H new ATOM 0 HG3 LYS A 75 9.257 7.385 10.963 1.00 1.52 H new ATOM 0 HD2 LYS A 75 12.219 8.154 11.005 1.00 74.53 H new ATOM 0 HD3 LYS A 75 11.500 6.783 11.825 1.00 74.53 H new ATOM 0 HE2 LYS A 75 10.808 5.858 9.571 1.00 23.45 H new ATOM 0 HE3 LYS A 75 11.655 7.186 8.803 1.00 23.45 H new ATOM 0 HZ1 LYS A 75 13.240 5.570 8.773 1.00 50.54 H new ATOM 0 HZ2 LYS A 75 13.637 6.322 10.243 1.00 50.54 H new ATOM 0 HZ3 LYS A 75 12.750 4.874 10.243 1.00 50.54 H new ATOM 1252 N GLU A 76 8.225 10.530 7.313 1.00 50.22 N ATOM 1253 CA GLU A 76 8.074 11.503 6.213 1.00 54.10 C ATOM 1254 C GLU A 76 6.838 12.399 6.442 1.00 12.35 C ATOM 1255 O GLU A 76 6.780 13.529 5.947 1.00 13.21 O ATOM 1256 CB GLU A 76 7.958 10.758 4.854 1.00 20.30 C ATOM 1257 CG GLU A 76 9.190 9.924 4.445 1.00 44.43 C ATOM 1258 CD GLU A 76 10.473 10.750 4.257 1.00 2.13 C ATOM 1259 OE1 GLU A 76 10.771 11.171 3.119 1.00 53.13 O ATOM 1260 OE2 GLU A 76 11.194 10.989 5.252 1.00 60.13 O ATOM 0 H GLU A 76 8.099 9.561 7.020 1.00 50.22 H new ATOM 0 HA GLU A 76 8.958 12.141 6.191 1.00 54.10 H new ATOM 0 HB2 GLU A 76 7.092 10.098 4.895 1.00 20.30 H new ATOM 0 HB3 GLU A 76 7.763 11.492 4.073 1.00 20.30 H new ATOM 0 HG2 GLU A 76 9.369 9.163 5.205 1.00 44.43 H new ATOM 0 HG3 GLU A 76 8.968 9.400 3.515 1.00 44.43 H new ATOM 1267 N GLY A 77 5.872 11.881 7.226 1.00 74.43 N ATOM 1268 CA GLY A 77 4.644 12.600 7.558 1.00 51.22 C ATOM 1269 C GLY A 77 3.651 12.547 6.415 1.00 42.35 C ATOM 1270 O GLY A 77 3.037 13.555 6.071 1.00 0.35 O ATOM 0 H GLY A 77 5.929 10.952 7.643 1.00 74.43 H new ATOM 0 HA2 GLY A 77 4.196 12.166 8.452 1.00 51.22 H new ATOM 0 HA3 GLY A 77 4.879 13.639 7.791 1.00 51.22 H new ATOM 1274 N LEU A 78 3.524 11.353 5.812 1.00 33.01 N ATOM 1275 CA LEU A 78 2.667 11.108 4.637 1.00 74.32 C ATOM 1276 C LEU A 78 1.429 10.291 5.040 1.00 72.44 C ATOM 1277 O LEU A 78 1.397 9.683 6.120 1.00 23.12 O ATOM 1278 CB LEU A 78 3.484 10.371 3.532 1.00 3.32 C ATOM 1279 CG LEU A 78 4.809 11.070 3.082 1.00 34.43 C ATOM 1280 CD1 LEU A 78 5.520 10.287 1.954 1.00 63.05 C ATOM 1281 CD2 LEU A 78 4.565 12.538 2.675 1.00 53.11 C ATOM 0 H LEU A 78 4.019 10.520 6.130 1.00 33.01 H new ATOM 0 HA LEU A 78 2.326 12.063 4.238 1.00 74.32 H new ATOM 0 HB2 LEU A 78 3.727 9.372 3.893 1.00 3.32 H new ATOM 0 HB3 LEU A 78 2.846 10.247 2.657 1.00 3.32 H new ATOM 0 HG LEU A 78 5.476 11.072 3.944 1.00 34.43 H new ATOM 0 HD11 LEU A 78 6.435 10.807 1.671 1.00 63.05 H new ATOM 0 HD12 LEU A 78 5.766 9.285 2.306 1.00 63.05 H new ATOM 0 HD13 LEU A 78 4.861 10.216 1.089 1.00 63.05 H new ATOM 0 HD21 LEU A 78 5.507 12.992 2.368 1.00 53.11 H new ATOM 0 HD22 LEU A 78 3.858 12.573 1.846 1.00 53.11 H new ATOM 0 HD23 LEU A 78 4.157 13.088 3.523 1.00 53.11 H new ATOM 1293 N ARG A 79 0.400 10.312 4.178 1.00 51.53 N ATOM 1294 CA ARG A 79 -0.817 9.508 4.347 1.00 23.34 C ATOM 1295 C ARG A 79 -0.523 8.038 3.976 1.00 50.34 C ATOM 1296 O ARG A 79 -0.241 7.747 2.818 1.00 55.02 O ATOM 1297 CB ARG A 79 -1.950 10.084 3.450 1.00 51.33 C ATOM 1298 CG ARG A 79 -3.252 9.264 3.448 1.00 22.34 C ATOM 1299 CD ARG A 79 -3.971 9.231 4.807 1.00 24.21 C ATOM 1300 NE ARG A 79 -4.736 10.462 5.078 1.00 42.35 N ATOM 1301 CZ ARG A 79 -5.964 10.724 4.593 1.00 20.04 C ATOM 1302 NH1 ARG A 79 -6.586 9.850 3.800 1.00 14.32 N ATOM 1303 NH2 ARG A 79 -6.577 11.849 4.937 1.00 22.25 N ATOM 0 H ARG A 79 0.391 10.892 3.339 1.00 51.53 H new ATOM 0 HA ARG A 79 -1.142 9.546 5.387 1.00 23.34 H new ATOM 0 HB2 ARG A 79 -2.176 11.098 3.781 1.00 51.33 H new ATOM 0 HB3 ARG A 79 -1.582 10.157 2.427 1.00 51.33 H new ATOM 0 HG2 ARG A 79 -3.929 9.677 2.700 1.00 22.34 H new ATOM 0 HG3 ARG A 79 -3.026 8.242 3.143 1.00 22.34 H new ATOM 0 HD2 ARG A 79 -4.646 8.376 4.835 1.00 24.21 H new ATOM 0 HD3 ARG A 79 -3.236 9.084 5.598 1.00 24.21 H new ATOM 0 HE ARG A 79 -4.303 11.166 5.676 1.00 42.35 H new ATOM 0 HH11 ARG A 79 -6.131 8.971 3.554 1.00 14.32 H new ATOM 0 HH12 ARG A 79 -7.516 10.061 3.439 1.00 14.32 H new ATOM 0 HH21 ARG A 79 -6.118 12.509 5.565 1.00 22.25 H new ATOM 0 HH22 ARG A 79 -7.508 12.054 4.573 1.00 22.25 H new ATOM 1317 N VAL A 80 -0.605 7.127 4.965 1.00 63.15 N ATOM 1318 CA VAL A 80 -0.220 5.706 4.803 1.00 75.23 C ATOM 1319 C VAL A 80 -1.488 4.819 4.789 1.00 30.53 C ATOM 1320 O VAL A 80 -2.218 4.758 5.787 1.00 31.51 O ATOM 1321 CB VAL A 80 0.755 5.235 5.961 1.00 30.15 C ATOM 1322 CG1 VAL A 80 1.439 3.891 5.605 1.00 55.22 C ATOM 1323 CG2 VAL A 80 1.796 6.328 6.312 1.00 31.13 C ATOM 0 H VAL A 80 -0.940 7.353 5.901 1.00 63.15 H new ATOM 0 HA VAL A 80 0.309 5.604 3.856 1.00 75.23 H new ATOM 0 HB VAL A 80 0.150 5.071 6.852 1.00 30.15 H new ATOM 0 HG11 VAL A 80 2.102 3.593 6.418 1.00 55.22 H new ATOM 0 HG12 VAL A 80 0.679 3.124 5.457 1.00 55.22 H new ATOM 0 HG13 VAL A 80 2.018 4.009 4.689 1.00 55.22 H new ATOM 0 HG21 VAL A 80 2.446 5.968 7.110 1.00 31.13 H new ATOM 0 HG22 VAL A 80 2.395 6.556 5.431 1.00 31.13 H new ATOM 0 HG23 VAL A 80 1.280 7.229 6.643 1.00 31.13 H new ATOM 1333 N LEU A 81 -1.749 4.168 3.637 1.00 42.04 N ATOM 1334 CA LEU A 81 -2.857 3.209 3.452 1.00 4.50 C ATOM 1335 C LEU A 81 -2.239 1.830 3.177 1.00 22.31 C ATOM 1336 O LEU A 81 -1.694 1.615 2.097 1.00 0.11 O ATOM 1337 CB LEU A 81 -3.761 3.591 2.231 1.00 24.22 C ATOM 1338 CG LEU A 81 -4.394 5.019 2.173 1.00 42.43 C ATOM 1339 CD1 LEU A 81 -5.151 5.368 3.459 1.00 32.10 C ATOM 1340 CD2 LEU A 81 -3.354 6.090 1.812 1.00 55.32 C ATOM 0 H LEU A 81 -1.187 4.296 2.796 1.00 42.04 H new ATOM 0 HA LEU A 81 -3.476 3.214 4.349 1.00 4.50 H new ATOM 0 HB2 LEU A 81 -3.166 3.458 1.327 1.00 24.22 H new ATOM 0 HB3 LEU A 81 -4.576 2.868 2.186 1.00 24.22 H new ATOM 0 HG LEU A 81 -5.131 5.005 1.370 1.00 42.43 H new ATOM 0 HD11 LEU A 81 -5.573 6.369 3.372 1.00 32.10 H new ATOM 0 HD12 LEU A 81 -5.954 4.648 3.615 1.00 32.10 H new ATOM 0 HD13 LEU A 81 -4.465 5.336 4.305 1.00 32.10 H new ATOM 0 HD21 LEU A 81 -3.834 7.068 1.782 1.00 55.32 H new ATOM 0 HD22 LEU A 81 -2.563 6.097 2.562 1.00 55.32 H new ATOM 0 HD23 LEU A 81 -2.925 5.866 0.835 1.00 55.32 H new ATOM 1352 N VAL A 82 -2.329 0.907 4.129 1.00 74.31 N ATOM 1353 CA VAL A 82 -1.765 -0.440 3.981 1.00 24.03 C ATOM 1354 C VAL A 82 -2.908 -1.444 3.783 1.00 50.00 C ATOM 1355 O VAL A 82 -3.651 -1.737 4.723 1.00 21.41 O ATOM 1356 CB VAL A 82 -0.883 -0.846 5.225 1.00 21.13 C ATOM 1357 CG1 VAL A 82 -0.254 -2.256 5.050 1.00 61.31 C ATOM 1358 CG2 VAL A 82 0.194 0.229 5.504 1.00 55.11 C ATOM 0 H VAL A 82 -2.792 1.066 5.024 1.00 74.31 H new ATOM 0 HA VAL A 82 -1.111 -0.447 3.109 1.00 24.03 H new ATOM 0 HB VAL A 82 -1.537 -0.900 6.095 1.00 21.13 H new ATOM 0 HG11 VAL A 82 0.346 -2.498 5.927 1.00 61.31 H new ATOM 0 HG12 VAL A 82 -1.046 -2.996 4.936 1.00 61.31 H new ATOM 0 HG13 VAL A 82 0.380 -2.264 4.164 1.00 61.31 H new ATOM 0 HG21 VAL A 82 0.792 -0.070 6.365 1.00 55.11 H new ATOM 0 HG22 VAL A 82 0.840 0.332 4.632 1.00 55.11 H new ATOM 0 HG23 VAL A 82 -0.290 1.183 5.711 1.00 55.11 H new ATOM 1368 N ILE A 83 -3.067 -1.931 2.541 1.00 3.21 N ATOM 1369 CA ILE A 83 -4.020 -3.001 2.217 1.00 31.20 C ATOM 1370 C ILE A 83 -3.249 -4.322 2.080 1.00 11.32 C ATOM 1371 O ILE A 83 -2.334 -4.439 1.265 1.00 22.13 O ATOM 1372 CB ILE A 83 -4.846 -2.719 0.902 1.00 41.00 C ATOM 1373 CG1 ILE A 83 -5.789 -1.495 1.109 1.00 11.22 C ATOM 1374 CG2 ILE A 83 -5.653 -3.965 0.456 1.00 73.51 C ATOM 1375 CD1 ILE A 83 -6.819 -1.289 0.013 1.00 30.43 C ATOM 0 H ILE A 83 -2.539 -1.594 1.736 1.00 3.21 H new ATOM 0 HA ILE A 83 -4.746 -3.055 3.029 1.00 31.20 H new ATOM 0 HB ILE A 83 -4.139 -2.487 0.106 1.00 41.00 H new ATOM 0 HG12 ILE A 83 -6.310 -1.613 2.059 1.00 11.22 H new ATOM 0 HG13 ILE A 83 -5.180 -0.595 1.189 1.00 11.22 H new ATOM 0 HG21 ILE A 83 -6.209 -3.733 -0.452 1.00 73.51 H new ATOM 0 HG22 ILE A 83 -4.969 -4.791 0.261 1.00 73.51 H new ATOM 0 HG23 ILE A 83 -6.350 -4.249 1.245 1.00 73.51 H new ATOM 0 HD11 ILE A 83 -7.427 -0.415 0.245 1.00 30.43 H new ATOM 0 HD12 ILE A 83 -6.311 -1.135 -0.939 1.00 30.43 H new ATOM 0 HD13 ILE A 83 -7.459 -2.169 -0.055 1.00 30.43 H new ATOM 1387 N MET A 84 -3.620 -5.292 2.909 1.00 34.01 N ATOM 1388 CA MET A 84 -3.057 -6.639 2.900 1.00 42.11 C ATOM 1389 C MET A 84 -4.172 -7.609 2.489 1.00 14.52 C ATOM 1390 O MET A 84 -5.196 -7.710 3.177 1.00 23.41 O ATOM 1391 CB MET A 84 -2.487 -6.943 4.312 1.00 71.53 C ATOM 1392 CG MET A 84 -1.300 -6.046 4.709 1.00 51.01 C ATOM 1393 SD MET A 84 -0.850 -6.172 6.447 1.00 13.44 S ATOM 1394 CE MET A 84 -2.061 -5.100 7.232 1.00 11.13 C ATOM 0 H MET A 84 -4.337 -5.161 3.623 1.00 34.01 H new ATOM 0 HA MET A 84 -2.238 -6.743 2.188 1.00 42.11 H new ATOM 0 HB2 MET A 84 -3.282 -6.824 5.048 1.00 71.53 H new ATOM 0 HB3 MET A 84 -2.171 -7.986 4.349 1.00 71.53 H new ATOM 0 HG2 MET A 84 -0.436 -6.310 4.099 1.00 51.01 H new ATOM 0 HG3 MET A 84 -1.547 -5.009 4.481 1.00 51.01 H new ATOM 0 HE1 MET A 84 -1.547 -4.325 7.801 1.00 11.13 H new ATOM 0 HE2 MET A 84 -2.685 -4.635 6.468 1.00 11.13 H new ATOM 0 HE3 MET A 84 -2.687 -5.688 7.903 1.00 11.13 H new ATOM 1404 N VAL A 85 -3.986 -8.272 1.335 1.00 1.41 N ATOM 1405 CA VAL A 85 -4.955 -9.223 0.760 1.00 30.15 C ATOM 1406 C VAL A 85 -4.240 -10.552 0.512 1.00 43.42 C ATOM 1407 O VAL A 85 -3.326 -10.612 -0.314 1.00 55.54 O ATOM 1408 CB VAL A 85 -5.577 -8.689 -0.593 1.00 0.13 C ATOM 1409 CG1 VAL A 85 -6.550 -9.719 -1.228 1.00 41.30 C ATOM 1410 CG2 VAL A 85 -6.270 -7.325 -0.382 1.00 31.41 C ATOM 0 H VAL A 85 -3.146 -8.161 0.767 1.00 1.41 H new ATOM 0 HA VAL A 85 -5.777 -9.351 1.465 1.00 30.15 H new ATOM 0 HB VAL A 85 -4.755 -8.547 -1.295 1.00 0.13 H new ATOM 0 HG11 VAL A 85 -6.955 -9.313 -2.155 1.00 41.30 H new ATOM 0 HG12 VAL A 85 -6.013 -10.644 -1.440 1.00 41.30 H new ATOM 0 HG13 VAL A 85 -7.366 -9.924 -0.535 1.00 41.30 H new ATOM 0 HG21 VAL A 85 -6.689 -6.980 -1.327 1.00 31.41 H new ATOM 0 HG22 VAL A 85 -7.069 -7.432 0.352 1.00 31.41 H new ATOM 0 HG23 VAL A 85 -5.542 -6.599 -0.021 1.00 31.41 H new ATOM 1420 N ASP A 86 -4.669 -11.600 1.229 1.00 4.42 N ATOM 1421 CA ASP A 86 -4.065 -12.943 1.179 1.00 25.42 C ATOM 1422 C ASP A 86 -4.886 -13.917 2.047 1.00 71.34 C ATOM 1423 O ASP A 86 -5.531 -13.497 3.016 1.00 25.42 O ATOM 1424 CB ASP A 86 -2.579 -12.897 1.642 1.00 14.33 C ATOM 1425 CG ASP A 86 -1.924 -14.274 1.784 1.00 51.34 C ATOM 1426 OD1 ASP A 86 -1.439 -14.604 2.884 1.00 62.30 O ATOM 1427 OD2 ASP A 86 -1.893 -15.032 0.793 1.00 14.14 O ATOM 0 H ASP A 86 -5.459 -11.539 1.872 1.00 4.42 H new ATOM 0 HA ASP A 86 -4.079 -13.299 0.149 1.00 25.42 H new ATOM 0 HB2 ASP A 86 -2.006 -12.306 0.928 1.00 14.33 H new ATOM 0 HB3 ASP A 86 -2.524 -12.380 2.600 1.00 14.33 H new ATOM 1432 N GLN A 87 -4.825 -15.216 1.692 1.00 54.35 N ATOM 1433 CA GLN A 87 -5.632 -16.280 2.322 1.00 43.44 C ATOM 1434 C GLN A 87 -5.116 -16.633 3.726 1.00 11.43 C ATOM 1435 O GLN A 87 -5.890 -17.111 4.561 1.00 21.02 O ATOM 1436 CB GLN A 87 -5.643 -17.543 1.419 1.00 25.33 C ATOM 1437 CG GLN A 87 -6.103 -17.280 -0.032 1.00 2.20 C ATOM 1438 CD GLN A 87 -7.523 -16.692 -0.145 1.00 62.13 C ATOM 1439 OE1 GLN A 87 -8.399 -16.974 0.675 1.00 4.11 O ATOM 1440 NE2 GLN A 87 -7.768 -15.876 -1.166 1.00 4.54 N ATOM 0 H GLN A 87 -4.210 -15.559 0.954 1.00 54.35 H new ATOM 0 HA GLN A 87 -6.650 -15.905 2.432 1.00 43.44 H new ATOM 0 HB2 GLN A 87 -4.640 -17.970 1.399 1.00 25.33 H new ATOM 0 HB3 GLN A 87 -6.299 -18.290 1.866 1.00 25.33 H new ATOM 0 HG2 GLN A 87 -5.399 -16.596 -0.507 1.00 2.20 H new ATOM 0 HG3 GLN A 87 -6.063 -18.216 -0.590 1.00 2.20 H new ATOM 0 HE21 GLN A 87 -7.028 -15.657 -1.833 1.00 4.54 H new ATOM 0 HE22 GLN A 87 -8.696 -15.469 -1.283 1.00 4.54 H new ATOM 1449 N ASP A 88 -3.808 -16.419 3.978 1.00 70.10 N ATOM 1450 CA ASP A 88 -3.204 -16.616 5.316 1.00 15.30 C ATOM 1451 C ASP A 88 -3.489 -15.372 6.173 1.00 60.33 C ATOM 1452 O ASP A 88 -2.584 -14.618 6.545 1.00 52.34 O ATOM 1453 CB ASP A 88 -1.680 -16.912 5.209 1.00 0.43 C ATOM 1454 CG ASP A 88 -1.390 -18.175 4.388 1.00 41.35 C ATOM 1455 OD1 ASP A 88 -1.166 -18.069 3.169 1.00 64.31 O ATOM 1456 OD2 ASP A 88 -1.418 -19.290 4.951 1.00 35.02 O ATOM 0 H ASP A 88 -3.145 -16.108 3.268 1.00 70.10 H new ATOM 0 HA ASP A 88 -3.651 -17.487 5.796 1.00 15.30 H new ATOM 0 HB2 ASP A 88 -1.178 -16.060 4.751 1.00 0.43 H new ATOM 0 HB3 ASP A 88 -1.263 -17.028 6.209 1.00 0.43 H new ATOM 1461 N GLN A 89 -4.785 -15.197 6.480 1.00 64.31 N ATOM 1462 CA GLN A 89 -5.359 -13.989 7.097 1.00 12.43 C ATOM 1463 C GLN A 89 -4.801 -13.720 8.512 1.00 51.30 C ATOM 1464 O GLN A 89 -4.763 -12.569 8.952 1.00 42.41 O ATOM 1465 CB GLN A 89 -6.918 -14.112 7.113 1.00 14.14 C ATOM 1466 CG GLN A 89 -7.666 -12.958 7.819 1.00 35.11 C ATOM 1467 CD GLN A 89 -7.380 -11.577 7.234 1.00 31.03 C ATOM 1468 OE1 GLN A 89 -7.247 -11.397 6.022 1.00 72.32 O ATOM 1469 NE2 GLN A 89 -7.205 -10.610 8.106 1.00 14.33 N ATOM 0 H GLN A 89 -5.485 -15.916 6.300 1.00 64.31 H new ATOM 0 HA GLN A 89 -5.067 -13.129 6.495 1.00 12.43 H new ATOM 0 HB2 GLN A 89 -7.271 -14.176 6.084 1.00 14.14 H new ATOM 0 HB3 GLN A 89 -7.187 -15.049 7.601 1.00 14.14 H new ATOM 0 HG2 GLN A 89 -8.738 -13.148 7.765 1.00 35.11 H new ATOM 0 HG3 GLN A 89 -7.395 -12.956 8.875 1.00 35.11 H new ATOM 0 HE21 GLN A 89 -7.323 -10.794 9.102 1.00 14.33 H new ATOM 0 HE22 GLN A 89 -6.951 -9.675 7.787 1.00 14.33 H new ATOM 1478 N GLU A 90 -4.360 -14.778 9.209 1.00 42.12 N ATOM 1479 CA GLU A 90 -3.776 -14.659 10.565 1.00 1.42 C ATOM 1480 C GLU A 90 -2.460 -13.846 10.536 1.00 2.54 C ATOM 1481 O GLU A 90 -2.195 -13.038 11.439 1.00 1.31 O ATOM 1482 CB GLU A 90 -3.548 -16.065 11.163 1.00 1.41 C ATOM 1483 CG GLU A 90 -4.833 -16.909 11.267 1.00 33.22 C ATOM 1484 CD GLU A 90 -4.599 -18.275 11.921 1.00 31.13 C ATOM 1485 OE1 GLU A 90 -4.547 -19.300 11.211 1.00 60.45 O ATOM 1486 OE2 GLU A 90 -4.449 -18.323 13.157 1.00 42.41 O ATOM 0 H GLU A 90 -4.395 -15.735 8.858 1.00 42.12 H new ATOM 0 HA GLU A 90 -4.478 -14.119 11.201 1.00 1.42 H new ATOM 0 HB2 GLU A 90 -2.822 -16.598 10.549 1.00 1.41 H new ATOM 0 HB3 GLU A 90 -3.110 -15.961 12.156 1.00 1.41 H new ATOM 0 HG2 GLU A 90 -5.577 -16.359 11.843 1.00 33.22 H new ATOM 0 HG3 GLU A 90 -5.247 -17.056 10.269 1.00 33.22 H new ATOM 1493 N GLU A 91 -1.665 -14.060 9.465 1.00 71.13 N ATOM 1494 CA GLU A 91 -0.442 -13.278 9.183 1.00 30.05 C ATOM 1495 C GLU A 91 -0.806 -11.795 8.980 1.00 21.44 C ATOM 1496 O GLU A 91 -0.200 -10.914 9.588 1.00 44.41 O ATOM 1497 CB GLU A 91 0.265 -13.862 7.919 1.00 12.02 C ATOM 1498 CG GLU A 91 1.466 -13.058 7.359 1.00 51.32 C ATOM 1499 CD GLU A 91 2.648 -12.872 8.324 1.00 30.53 C ATOM 1500 OE1 GLU A 91 3.031 -13.838 9.013 1.00 41.33 O ATOM 1501 OE2 GLU A 91 3.228 -11.767 8.363 1.00 72.44 O ATOM 0 H GLU A 91 -1.854 -14.782 8.770 1.00 71.13 H new ATOM 0 HA GLU A 91 0.245 -13.345 10.027 1.00 30.05 H new ATOM 0 HB2 GLU A 91 0.610 -14.868 8.157 1.00 12.02 H new ATOM 0 HB3 GLU A 91 -0.478 -13.959 7.128 1.00 12.02 H new ATOM 0 HG2 GLU A 91 1.828 -13.559 6.461 1.00 51.32 H new ATOM 0 HG3 GLU A 91 1.111 -12.074 7.054 1.00 51.32 H new ATOM 1508 N LEU A 92 -1.853 -11.561 8.158 1.00 23.13 N ATOM 1509 CA LEU A 92 -2.365 -10.209 7.822 1.00 0.41 C ATOM 1510 C LEU A 92 -2.848 -9.462 9.079 1.00 62.02 C ATOM 1511 O LEU A 92 -2.597 -8.264 9.235 1.00 21.42 O ATOM 1512 CB LEU A 92 -3.543 -10.302 6.799 1.00 33.33 C ATOM 1513 CG LEU A 92 -3.187 -10.562 5.298 1.00 25.31 C ATOM 1514 CD1 LEU A 92 -2.312 -11.807 5.103 1.00 72.03 C ATOM 1515 CD2 LEU A 92 -4.476 -10.657 4.451 1.00 62.21 C ATOM 0 H LEU A 92 -2.373 -12.311 7.703 1.00 23.13 H new ATOM 0 HA LEU A 92 -1.539 -9.654 7.378 1.00 0.41 H new ATOM 0 HB2 LEU A 92 -4.210 -11.099 7.128 1.00 33.33 H new ATOM 0 HB3 LEU A 92 -4.108 -9.371 6.853 1.00 33.33 H new ATOM 0 HG LEU A 92 -2.596 -9.712 4.956 1.00 25.31 H new ATOM 0 HD11 LEU A 92 -2.097 -11.938 4.043 1.00 72.03 H new ATOM 0 HD12 LEU A 92 -1.378 -11.684 5.651 1.00 72.03 H new ATOM 0 HD13 LEU A 92 -2.839 -12.685 5.477 1.00 72.03 H new ATOM 0 HD21 LEU A 92 -4.214 -10.838 3.409 1.00 62.21 H new ATOM 0 HD22 LEU A 92 -5.093 -11.477 4.818 1.00 62.21 H new ATOM 0 HD23 LEU A 92 -5.032 -9.723 4.528 1.00 62.21 H new ATOM 1527 N GLU A 93 -3.541 -10.202 9.959 1.00 10.34 N ATOM 1528 CA GLU A 93 -4.174 -9.662 11.169 1.00 43.00 C ATOM 1529 C GLU A 93 -3.122 -9.219 12.200 1.00 73.12 C ATOM 1530 O GLU A 93 -3.341 -8.255 12.936 1.00 74.51 O ATOM 1531 CB GLU A 93 -5.124 -10.724 11.771 1.00 12.11 C ATOM 1532 CG GLU A 93 -5.905 -10.239 13.005 1.00 14.12 C ATOM 1533 CD GLU A 93 -6.891 -11.282 13.537 1.00 0.43 C ATOM 1534 OE1 GLU A 93 -6.484 -12.132 14.349 1.00 62.32 O ATOM 1535 OE2 GLU A 93 -8.073 -11.270 13.126 1.00 5.22 O ATOM 0 H GLU A 93 -3.678 -11.206 9.847 1.00 10.34 H new ATOM 0 HA GLU A 93 -4.752 -8.778 10.897 1.00 43.00 H new ATOM 0 HB2 GLU A 93 -5.833 -11.038 11.005 1.00 12.11 H new ATOM 0 HB3 GLU A 93 -4.542 -11.604 12.045 1.00 12.11 H new ATOM 0 HG2 GLU A 93 -5.200 -9.977 13.794 1.00 14.12 H new ATOM 0 HG3 GLU A 93 -6.449 -9.330 12.749 1.00 14.12 H new ATOM 1542 N ARG A 94 -1.976 -9.929 12.225 1.00 70.44 N ATOM 1543 CA ARG A 94 -0.839 -9.574 13.098 1.00 34.54 C ATOM 1544 C ARG A 94 -0.251 -8.215 12.685 1.00 53.33 C ATOM 1545 O ARG A 94 0.035 -7.362 13.541 1.00 63.30 O ATOM 1546 CB ARG A 94 0.265 -10.663 13.044 1.00 73.15 C ATOM 1547 CG ARG A 94 1.515 -10.363 13.917 1.00 21.02 C ATOM 1548 CD ARG A 94 1.186 -10.186 15.411 1.00 42.12 C ATOM 1549 NE ARG A 94 2.389 -9.941 16.228 1.00 44.30 N ATOM 1550 CZ ARG A 94 2.528 -10.290 17.518 1.00 31.11 C ATOM 1551 NH1 ARG A 94 1.542 -10.911 18.164 1.00 23.11 N ATOM 1552 NH2 ARG A 94 3.660 -10.026 18.151 1.00 33.23 N ATOM 0 H ARG A 94 -1.813 -10.754 11.648 1.00 70.44 H new ATOM 0 HA ARG A 94 -1.210 -9.507 14.121 1.00 34.54 H new ATOM 0 HB2 ARG A 94 -0.165 -11.613 13.363 1.00 73.15 H new ATOM 0 HB3 ARG A 94 0.583 -10.788 12.009 1.00 73.15 H new ATOM 0 HG2 ARG A 94 2.232 -11.176 13.804 1.00 21.02 H new ATOM 0 HG3 ARG A 94 1.998 -9.458 13.549 1.00 21.02 H new ATOM 0 HD2 ARG A 94 0.493 -9.353 15.531 1.00 42.12 H new ATOM 0 HD3 ARG A 94 0.678 -11.079 15.776 1.00 42.12 H new ATOM 0 HE ARG A 94 3.175 -9.471 15.780 1.00 44.30 H new ATOM 0 HH11 ARG A 94 0.671 -11.126 17.679 1.00 23.11 H new ATOM 0 HH12 ARG A 94 1.658 -11.171 19.143 1.00 23.11 H new ATOM 0 HH21 ARG A 94 4.422 -9.559 17.659 1.00 33.23 H new ATOM 0 HH22 ARG A 94 3.770 -10.289 19.130 1.00 33.23 H new ATOM 1566 N ILE A 95 -0.092 -8.022 11.362 1.00 14.44 N ATOM 1567 CA ILE A 95 0.467 -6.774 10.802 1.00 40.33 C ATOM 1568 C ILE A 95 -0.517 -5.620 11.055 1.00 11.34 C ATOM 1569 O ILE A 95 -0.126 -4.528 11.454 1.00 31.54 O ATOM 1570 CB ILE A 95 0.751 -6.864 9.251 1.00 54.22 C ATOM 1571 CG1 ILE A 95 1.293 -8.258 8.827 1.00 32.00 C ATOM 1572 CG2 ILE A 95 1.720 -5.746 8.800 1.00 35.42 C ATOM 1573 CD1 ILE A 95 2.499 -8.744 9.597 1.00 22.31 C ATOM 0 H ILE A 95 -0.343 -8.716 10.658 1.00 14.44 H new ATOM 0 HA ILE A 95 1.421 -6.602 11.301 1.00 40.33 H new ATOM 0 HB ILE A 95 -0.206 -6.723 8.748 1.00 54.22 H new ATOM 0 HG12 ILE A 95 0.493 -8.990 8.938 1.00 32.00 H new ATOM 0 HG13 ILE A 95 1.549 -8.223 7.768 1.00 32.00 H new ATOM 0 HG21 ILE A 95 1.899 -5.830 7.728 1.00 35.42 H new ATOM 0 HG22 ILE A 95 1.280 -4.773 9.019 1.00 35.42 H new ATOM 0 HG23 ILE A 95 2.665 -5.846 9.335 1.00 35.42 H new ATOM 0 HD11 ILE A 95 2.798 -9.724 9.225 1.00 22.31 H new ATOM 0 HD12 ILE A 95 3.321 -8.040 9.467 1.00 22.31 H new ATOM 0 HD13 ILE A 95 2.249 -8.819 10.655 1.00 22.31 H new ATOM 1585 N TYR A 96 -1.803 -5.927 10.830 1.00 10.35 N ATOM 1586 CA TYR A 96 -2.931 -5.011 11.048 1.00 15.15 C ATOM 1587 C TYR A 96 -2.953 -4.520 12.502 1.00 3.13 C ATOM 1588 O TYR A 96 -3.085 -3.334 12.744 1.00 11.44 O ATOM 1589 CB TYR A 96 -4.250 -5.775 10.709 1.00 11.03 C ATOM 1590 CG TYR A 96 -5.574 -4.997 10.871 1.00 33.30 C ATOM 1591 CD1 TYR A 96 -6.196 -4.401 9.774 1.00 41.42 C ATOM 1592 CD2 TYR A 96 -6.213 -4.885 12.114 1.00 35.41 C ATOM 1593 CE1 TYR A 96 -7.394 -3.732 9.906 1.00 5.45 C ATOM 1594 CE2 TYR A 96 -7.412 -4.207 12.245 1.00 35.12 C ATOM 1595 CZ TYR A 96 -7.993 -3.633 11.138 1.00 54.00 C ATOM 1596 OH TYR A 96 -9.190 -2.964 11.256 1.00 72.33 O ATOM 0 H TYR A 96 -2.094 -6.841 10.483 1.00 10.35 H new ATOM 0 HA TYR A 96 -2.830 -4.136 10.406 1.00 15.15 H new ATOM 0 HB2 TYR A 96 -4.185 -6.121 9.678 1.00 11.03 H new ATOM 0 HB3 TYR A 96 -4.299 -6.662 11.341 1.00 11.03 H new ATOM 0 HD1 TYR A 96 -5.730 -4.465 8.802 1.00 41.42 H new ATOM 0 HD2 TYR A 96 -5.761 -5.336 12.985 1.00 35.41 H new ATOM 0 HE1 TYR A 96 -7.862 -3.286 9.041 1.00 5.45 H new ATOM 0 HE2 TYR A 96 -7.889 -4.129 13.211 1.00 35.12 H new ATOM 0 HH TYR A 96 -9.485 -2.983 12.191 1.00 72.33 H new ATOM 1606 N GLU A 97 -2.791 -5.472 13.440 1.00 5.20 N ATOM 1607 CA GLU A 97 -2.875 -5.238 14.899 1.00 53.52 C ATOM 1608 C GLU A 97 -1.805 -4.226 15.368 1.00 23.14 C ATOM 1609 O GLU A 97 -2.108 -3.272 16.108 1.00 21.43 O ATOM 1610 CB GLU A 97 -2.698 -6.591 15.642 1.00 62.41 C ATOM 1611 CG GLU A 97 -2.975 -6.537 17.152 1.00 14.32 C ATOM 1612 CD GLU A 97 -2.591 -7.833 17.871 1.00 42.04 C ATOM 1613 OE1 GLU A 97 -3.376 -8.800 17.834 1.00 3.41 O ATOM 1614 OE2 GLU A 97 -1.495 -7.895 18.467 1.00 62.41 O ATOM 0 H GLU A 97 -2.594 -6.444 13.203 1.00 5.20 H new ATOM 0 HA GLU A 97 -3.852 -4.814 15.130 1.00 53.52 H new ATOM 0 HB2 GLU A 97 -3.363 -7.327 15.191 1.00 62.41 H new ATOM 0 HB3 GLU A 97 -1.679 -6.945 15.486 1.00 62.41 H new ATOM 0 HG2 GLU A 97 -2.421 -5.706 17.589 1.00 14.32 H new ATOM 0 HG3 GLU A 97 -4.034 -6.336 17.316 1.00 14.32 H new ATOM 1621 N GLN A 98 -0.557 -4.454 14.906 1.00 62.24 N ATOM 1622 CA GLN A 98 0.593 -3.564 15.181 1.00 62.13 C ATOM 1623 C GLN A 98 0.364 -2.164 14.565 1.00 64.24 C ATOM 1624 O GLN A 98 0.407 -1.147 15.272 1.00 45.43 O ATOM 1625 CB GLN A 98 1.908 -4.210 14.622 1.00 14.00 C ATOM 1626 CG GLN A 98 3.153 -3.279 14.590 1.00 24.32 C ATOM 1627 CD GLN A 98 3.570 -2.721 15.959 1.00 32.13 C ATOM 1628 OE1 GLN A 98 3.437 -3.372 16.991 1.00 53.11 O ATOM 1629 NE2 GLN A 98 4.061 -1.498 15.981 1.00 63.51 N ATOM 0 H GLN A 98 -0.317 -5.262 14.331 1.00 62.24 H new ATOM 0 HA GLN A 98 0.692 -3.440 16.259 1.00 62.13 H new ATOM 0 HB2 GLN A 98 2.147 -5.085 15.226 1.00 14.00 H new ATOM 0 HB3 GLN A 98 1.715 -4.564 13.609 1.00 14.00 H new ATOM 0 HG2 GLN A 98 3.992 -3.831 14.166 1.00 24.32 H new ATOM 0 HG3 GLN A 98 2.949 -2.445 13.919 1.00 24.32 H new ATOM 0 HE21 GLN A 98 4.163 -0.974 15.112 1.00 63.51 H new ATOM 0 HE22 GLN A 98 4.339 -1.076 16.867 1.00 63.51 H new ATOM 1638 N LEU A 99 0.078 -2.151 13.251 1.00 24.14 N ATOM 1639 CA LEU A 99 -0.053 -0.924 12.433 1.00 60.25 C ATOM 1640 C LEU A 99 -1.283 -0.082 12.831 1.00 23.32 C ATOM 1641 O LEU A 99 -1.282 1.143 12.665 1.00 74.43 O ATOM 1642 CB LEU A 99 -0.104 -1.308 10.921 1.00 63.22 C ATOM 1643 CG LEU A 99 1.258 -1.503 10.166 1.00 64.34 C ATOM 1644 CD1 LEU A 99 2.234 -2.441 10.909 1.00 61.11 C ATOM 1645 CD2 LEU A 99 1.010 -1.993 8.717 1.00 72.44 C ATOM 0 H LEU A 99 -0.072 -3.006 12.715 1.00 24.14 H new ATOM 0 HA LEU A 99 0.821 -0.300 12.620 1.00 60.25 H new ATOM 0 HB2 LEU A 99 -0.672 -2.234 10.830 1.00 63.22 H new ATOM 0 HB3 LEU A 99 -0.668 -0.535 10.399 1.00 63.22 H new ATOM 0 HG LEU A 99 1.741 -0.527 10.133 1.00 64.34 H new ATOM 0 HD11 LEU A 99 3.156 -2.534 10.336 1.00 61.11 H new ATOM 0 HD12 LEU A 99 2.458 -2.028 11.892 1.00 61.11 H new ATOM 0 HD13 LEU A 99 1.777 -3.424 11.024 1.00 61.11 H new ATOM 0 HD21 LEU A 99 1.965 -2.123 8.208 1.00 72.44 H new ATOM 0 HD22 LEU A 99 0.479 -2.945 8.741 1.00 72.44 H new ATOM 0 HD23 LEU A 99 0.411 -1.257 8.181 1.00 72.44 H new ATOM 1657 N LYS A 100 -2.324 -0.739 13.371 1.00 61.51 N ATOM 1658 CA LYS A 100 -3.554 -0.058 13.827 1.00 2.33 C ATOM 1659 C LYS A 100 -3.205 0.794 15.068 1.00 32.22 C ATOM 1660 O LYS A 100 -3.679 1.922 15.217 1.00 23.13 O ATOM 1661 CB LYS A 100 -4.695 -1.102 14.140 1.00 64.42 C ATOM 1662 CG LYS A 100 -6.112 -0.696 13.668 1.00 34.34 C ATOM 1663 CD LYS A 100 -6.648 0.569 14.369 1.00 31.14 C ATOM 1664 CE LYS A 100 -8.006 1.029 13.821 1.00 62.23 C ATOM 1665 NZ LYS A 100 -8.459 2.288 14.470 1.00 42.44 N ATOM 0 H LYS A 100 -2.340 -1.750 13.504 1.00 61.51 H new ATOM 0 HA LYS A 100 -3.935 0.591 13.039 1.00 2.33 H new ATOM 0 HB2 LYS A 100 -4.433 -2.052 13.674 1.00 64.42 H new ATOM 0 HB3 LYS A 100 -4.724 -1.272 15.216 1.00 64.42 H new ATOM 0 HG2 LYS A 100 -6.094 -0.527 12.591 1.00 34.34 H new ATOM 0 HG3 LYS A 100 -6.799 -1.523 13.850 1.00 34.34 H new ATOM 0 HD2 LYS A 100 -6.741 0.374 15.437 1.00 31.14 H new ATOM 0 HD3 LYS A 100 -5.924 1.376 14.254 1.00 31.14 H new ATOM 0 HE2 LYS A 100 -7.932 1.180 12.744 1.00 62.23 H new ATOM 0 HE3 LYS A 100 -8.748 0.248 13.983 1.00 62.23 H new ATOM 0 HZ1 LYS A 100 -9.379 2.570 14.076 1.00 42.44 H new ATOM 0 HZ2 LYS A 100 -8.553 2.136 15.495 1.00 42.44 H new ATOM 0 HZ3 LYS A 100 -7.762 3.040 14.294 1.00 42.44 H new ATOM 1679 N LYS A 101 -2.330 0.232 15.926 1.00 63.13 N ATOM 1680 CA LYS A 101 -1.814 0.909 17.129 1.00 50.04 C ATOM 1681 C LYS A 101 -0.838 2.057 16.757 1.00 34.22 C ATOM 1682 O LYS A 101 -0.748 3.060 17.475 1.00 30.42 O ATOM 1683 CB LYS A 101 -1.120 -0.124 18.053 1.00 74.12 C ATOM 1684 CG LYS A 101 -0.746 0.417 19.454 1.00 13.23 C ATOM 1685 CD LYS A 101 -0.044 -0.634 20.344 1.00 60.02 C ATOM 1686 CE LYS A 101 -0.852 -1.936 20.502 1.00 63.11 C ATOM 1687 NZ LYS A 101 -2.230 -1.704 21.015 1.00 32.32 N ATOM 0 H LYS A 101 -1.960 -0.710 15.801 1.00 63.13 H new ATOM 0 HA LYS A 101 -2.654 1.356 17.661 1.00 50.04 H new ATOM 0 HB2 LYS A 101 -1.778 -0.984 18.174 1.00 74.12 H new ATOM 0 HB3 LYS A 101 -0.215 -0.481 17.562 1.00 74.12 H new ATOM 0 HG2 LYS A 101 -0.093 1.282 19.340 1.00 13.23 H new ATOM 0 HG3 LYS A 101 -1.649 0.764 19.956 1.00 13.23 H new ATOM 0 HD2 LYS A 101 0.931 -0.869 19.917 1.00 60.02 H new ATOM 0 HD3 LYS A 101 0.135 -0.204 21.329 1.00 60.02 H new ATOM 0 HE2 LYS A 101 -0.909 -2.442 19.538 1.00 63.11 H new ATOM 0 HE3 LYS A 101 -0.324 -2.605 21.182 1.00 63.11 H new ATOM 0 HZ1 LYS A 101 -2.715 -2.617 21.133 1.00 32.32 H new ATOM 0 HZ2 LYS A 101 -2.181 -1.216 21.932 1.00 32.32 H new ATOM 0 HZ3 LYS A 101 -2.758 -1.117 20.338 1.00 32.32 H new ATOM 1701 N ASP A 102 -0.109 1.886 15.621 1.00 23.13 N ATOM 1702 CA ASP A 102 0.747 2.954 15.034 1.00 43.44 C ATOM 1703 C ASP A 102 -0.119 4.122 14.505 1.00 0.35 C ATOM 1704 O ASP A 102 0.399 5.220 14.260 1.00 21.14 O ATOM 1705 CB ASP A 102 1.652 2.409 13.880 1.00 5.25 C ATOM 1706 CG ASP A 102 2.752 1.427 14.337 1.00 2.11 C ATOM 1707 OD1 ASP A 102 3.658 1.843 15.096 1.00 64.11 O ATOM 1708 OD2 ASP A 102 2.732 0.247 13.937 1.00 44.33 O ATOM 0 H ASP A 102 -0.097 1.014 15.091 1.00 23.13 H new ATOM 0 HA ASP A 102 1.395 3.316 15.832 1.00 43.44 H new ATOM 0 HB2 ASP A 102 1.020 1.910 13.145 1.00 5.25 H new ATOM 0 HB3 ASP A 102 2.123 3.253 13.376 1.00 5.25 H new ATOM 1713 N GLY A 103 -1.435 3.861 14.314 1.00 4.43 N ATOM 1714 CA GLY A 103 -2.407 4.868 13.854 1.00 61.01 C ATOM 1715 C GLY A 103 -2.507 4.920 12.334 1.00 65.23 C ATOM 1716 O GLY A 103 -2.918 5.929 11.762 1.00 50.54 O ATOM 0 H GLY A 103 -1.848 2.942 14.477 1.00 4.43 H new ATOM 0 HA2 GLY A 103 -3.387 4.642 14.273 1.00 61.01 H new ATOM 0 HA3 GLY A 103 -2.117 5.849 14.231 1.00 61.01 H new ATOM 1720 N VAL A 104 -2.122 3.815 11.696 1.00 2.23 N ATOM 1721 CA VAL A 104 -2.062 3.675 10.231 1.00 3.22 C ATOM 1722 C VAL A 104 -3.379 3.110 9.709 1.00 31.31 C ATOM 1723 O VAL A 104 -3.955 2.223 10.356 1.00 24.54 O ATOM 1724 CB VAL A 104 -0.886 2.711 9.837 1.00 30.20 C ATOM 1725 CG1 VAL A 104 -0.749 2.541 8.308 1.00 42.12 C ATOM 1726 CG2 VAL A 104 0.426 3.196 10.475 1.00 54.45 C ATOM 0 H VAL A 104 -1.835 2.970 12.190 1.00 2.23 H new ATOM 0 HA VAL A 104 -1.890 4.656 9.788 1.00 3.22 H new ATOM 0 HB VAL A 104 -1.120 1.721 10.229 1.00 30.20 H new ATOM 0 HG11 VAL A 104 0.078 1.865 8.090 1.00 42.12 H new ATOM 0 HG12 VAL A 104 -1.673 2.127 7.904 1.00 42.12 H new ATOM 0 HG13 VAL A 104 -0.556 3.511 7.850 1.00 42.12 H new ATOM 0 HG21 VAL A 104 1.237 2.522 10.197 1.00 54.45 H new ATOM 0 HG22 VAL A 104 0.653 4.202 10.121 1.00 54.45 H new ATOM 0 HG23 VAL A 104 0.320 3.208 11.560 1.00 54.45 H new ATOM 1736 N ASP A 105 -3.843 3.597 8.538 1.00 21.11 N ATOM 1737 CA ASP A 105 -5.070 3.086 7.924 1.00 55.23 C ATOM 1738 C ASP A 105 -4.773 1.717 7.319 1.00 15.30 C ATOM 1739 O ASP A 105 -4.104 1.620 6.291 1.00 42.14 O ATOM 1740 CB ASP A 105 -5.600 4.029 6.827 1.00 40.44 C ATOM 1741 CG ASP A 105 -6.982 3.587 6.295 1.00 71.54 C ATOM 1742 OD1 ASP A 105 -7.977 3.742 7.035 1.00 24.24 O ATOM 1743 OD2 ASP A 105 -7.098 3.124 5.133 1.00 12.22 O ATOM 0 H ASP A 105 -3.384 4.338 8.008 1.00 21.11 H new ATOM 0 HA ASP A 105 -5.839 3.015 8.693 1.00 55.23 H new ATOM 0 HB2 ASP A 105 -5.672 5.041 7.224 1.00 40.44 H new ATOM 0 HB3 ASP A 105 -4.888 4.060 6.002 1.00 40.44 H new ATOM 1748 N VAL A 106 -5.259 0.672 7.972 1.00 31.34 N ATOM 1749 CA VAL A 106 -5.007 -0.713 7.569 1.00 11.11 C ATOM 1750 C VAL A 106 -6.317 -1.417 7.228 1.00 44.45 C ATOM 1751 O VAL A 106 -7.334 -1.267 7.919 1.00 10.42 O ATOM 1752 CB VAL A 106 -4.195 -1.498 8.669 1.00 43.33 C ATOM 1753 CG1 VAL A 106 -2.697 -1.150 8.596 1.00 41.42 C ATOM 1754 CG2 VAL A 106 -4.737 -1.220 10.095 1.00 22.12 C ATOM 0 H VAL A 106 -5.844 0.757 8.803 1.00 31.34 H new ATOM 0 HA VAL A 106 -4.389 -0.697 6.671 1.00 11.11 H new ATOM 0 HB VAL A 106 -4.323 -2.561 8.464 1.00 43.33 H new ATOM 0 HG11 VAL A 106 -2.157 -1.703 9.364 1.00 41.42 H new ATOM 0 HG12 VAL A 106 -2.308 -1.419 7.614 1.00 41.42 H new ATOM 0 HG13 VAL A 106 -2.564 -0.080 8.758 1.00 41.42 H new ATOM 0 HG21 VAL A 106 -4.150 -1.780 10.823 1.00 22.12 H new ATOM 0 HG22 VAL A 106 -4.662 -0.154 10.311 1.00 22.12 H new ATOM 0 HG23 VAL A 106 -5.780 -1.530 10.155 1.00 22.12 H new ATOM 1764 N ARG A 107 -6.270 -2.161 6.121 1.00 21.15 N ATOM 1765 CA ARG A 107 -7.400 -2.893 5.557 1.00 32.34 C ATOM 1766 C ARG A 107 -6.924 -4.304 5.215 1.00 40.33 C ATOM 1767 O ARG A 107 -6.020 -4.474 4.397 1.00 20.35 O ATOM 1768 CB ARG A 107 -7.933 -2.176 4.275 1.00 52.14 C ATOM 1769 CG ARG A 107 -8.372 -0.711 4.503 1.00 54.31 C ATOM 1770 CD ARG A 107 -8.862 -0.005 3.225 1.00 25.54 C ATOM 1771 NE ARG A 107 -9.371 1.342 3.516 1.00 63.01 N ATOM 1772 CZ ARG A 107 -10.344 1.966 2.841 1.00 42.01 C ATOM 1773 NH1 ARG A 107 -10.926 1.391 1.791 1.00 62.33 N ATOM 1774 NH2 ARG A 107 -10.754 3.146 3.248 1.00 24.10 N ATOM 0 H ARG A 107 -5.415 -2.273 5.576 1.00 21.15 H new ATOM 0 HA ARG A 107 -8.216 -2.933 6.278 1.00 32.34 H new ATOM 0 HB2 ARG A 107 -7.155 -2.196 3.512 1.00 52.14 H new ATOM 0 HB3 ARG A 107 -8.779 -2.740 3.882 1.00 52.14 H new ATOM 0 HG2 ARG A 107 -9.169 -0.691 5.246 1.00 54.31 H new ATOM 0 HG3 ARG A 107 -7.535 -0.151 4.919 1.00 54.31 H new ATOM 0 HD2 ARG A 107 -8.044 0.061 2.508 1.00 25.54 H new ATOM 0 HD3 ARG A 107 -9.648 -0.599 2.758 1.00 25.54 H new ATOM 0 HE ARG A 107 -8.948 1.843 4.297 1.00 63.01 H new ATOM 0 HH11 ARG A 107 -10.632 0.462 1.490 1.00 62.33 H new ATOM 0 HH12 ARG A 107 -11.666 1.880 1.287 1.00 62.33 H new ATOM 0 HH21 ARG A 107 -10.332 3.577 4.070 1.00 24.10 H new ATOM 0 HH22 ARG A 107 -11.495 3.631 2.742 1.00 24.10 H new ATOM 1788 N VAL A 108 -7.524 -5.308 5.855 1.00 20.43 N ATOM 1789 CA VAL A 108 -7.192 -6.726 5.630 1.00 13.51 C ATOM 1790 C VAL A 108 -8.436 -7.469 5.134 1.00 12.42 C ATOM 1791 O VAL A 108 -9.536 -7.248 5.652 1.00 13.33 O ATOM 1792 CB VAL A 108 -6.629 -7.408 6.930 1.00 75.52 C ATOM 1793 CG1 VAL A 108 -5.213 -6.894 7.250 1.00 41.05 C ATOM 1794 CG2 VAL A 108 -7.583 -7.226 8.140 1.00 32.22 C ATOM 0 H VAL A 108 -8.258 -5.166 6.549 1.00 20.43 H new ATOM 0 HA VAL A 108 -6.408 -6.776 4.874 1.00 13.51 H new ATOM 0 HB VAL A 108 -6.564 -8.479 6.735 1.00 75.52 H new ATOM 0 HG11 VAL A 108 -4.845 -7.380 8.153 1.00 41.05 H new ATOM 0 HG12 VAL A 108 -4.547 -7.122 6.418 1.00 41.05 H new ATOM 0 HG13 VAL A 108 -5.244 -5.816 7.405 1.00 41.05 H new ATOM 0 HG21 VAL A 108 -7.155 -7.712 9.017 1.00 32.22 H new ATOM 0 HG22 VAL A 108 -7.715 -6.163 8.343 1.00 32.22 H new ATOM 0 HG23 VAL A 108 -8.550 -7.674 7.912 1.00 32.22 H new ATOM 1804 N THR A 109 -8.264 -8.319 4.110 1.00 70.14 N ATOM 1805 CA THR A 109 -9.361 -9.114 3.547 1.00 33.42 C ATOM 1806 C THR A 109 -8.816 -10.204 2.616 1.00 30.51 C ATOM 1807 O THR A 109 -8.007 -9.923 1.729 1.00 65.34 O ATOM 1808 CB THR A 109 -10.409 -8.211 2.777 1.00 1.53 C ATOM 1809 OG1 THR A 109 -11.462 -9.011 2.223 1.00 60.32 O ATOM 1810 CG2 THR A 109 -9.786 -7.344 1.656 1.00 35.43 C ATOM 0 H THR A 109 -7.365 -8.473 3.653 1.00 70.14 H new ATOM 0 HA THR A 109 -9.880 -9.586 4.381 1.00 33.42 H new ATOM 0 HB THR A 109 -10.806 -7.528 3.528 1.00 1.53 H new ATOM 0 HG1 THR A 109 -12.241 -8.445 2.041 1.00 60.32 H new ATOM 0 HG21 THR A 109 -10.567 -6.754 1.176 1.00 35.43 H new ATOM 0 HG22 THR A 109 -9.039 -6.676 2.085 1.00 35.43 H new ATOM 0 HG23 THR A 109 -9.313 -7.990 0.917 1.00 35.43 H new ATOM 1818 N ASP A 110 -9.219 -11.462 2.846 1.00 62.51 N ATOM 1819 CA ASP A 110 -9.053 -12.525 1.849 1.00 73.25 C ATOM 1820 C ASP A 110 -10.312 -12.536 0.959 1.00 2.51 C ATOM 1821 O ASP A 110 -11.300 -13.202 1.259 1.00 13.13 O ATOM 1822 CB ASP A 110 -8.775 -13.902 2.532 1.00 21.12 C ATOM 1823 CG ASP A 110 -9.763 -14.273 3.656 1.00 34.55 C ATOM 1824 OD1 ASP A 110 -9.552 -13.846 4.811 1.00 35.32 O ATOM 1825 OD2 ASP A 110 -10.736 -15.011 3.398 1.00 63.15 O ATOM 0 H ASP A 110 -9.662 -11.766 3.713 1.00 62.51 H new ATOM 0 HA ASP A 110 -8.181 -12.335 1.223 1.00 73.25 H new ATOM 0 HB2 ASP A 110 -8.802 -14.682 1.771 1.00 21.12 H new ATOM 0 HB3 ASP A 110 -7.765 -13.892 2.943 1.00 21.12 H new ATOM 1830 N ASN A 111 -10.266 -11.732 -0.117 1.00 21.33 N ATOM 1831 CA ASN A 111 -11.371 -11.576 -1.087 1.00 15.41 C ATOM 1832 C ASN A 111 -10.849 -10.810 -2.309 1.00 32.31 C ATOM 1833 O ASN A 111 -10.068 -9.861 -2.167 1.00 41.44 O ATOM 1834 CB ASN A 111 -12.625 -10.847 -0.469 1.00 42.02 C ATOM 1835 CG ASN A 111 -13.834 -11.779 -0.234 1.00 21.02 C ATOM 1836 OD1 ASN A 111 -14.645 -11.994 -1.134 1.00 3.31 O ATOM 1837 ND2 ASN A 111 -13.980 -12.324 0.962 1.00 5.35 N ATOM 0 H ASN A 111 -9.450 -11.163 -0.343 1.00 21.33 H new ATOM 0 HA ASN A 111 -11.710 -12.570 -1.379 1.00 15.41 H new ATOM 0 HB2 ASN A 111 -12.339 -10.392 0.479 1.00 42.02 H new ATOM 0 HB3 ASN A 111 -12.926 -10.037 -1.133 1.00 42.02 H new ATOM 0 HD21 ASN A 111 -14.775 -12.934 1.151 1.00 5.35 H new ATOM 0 HD22 ASN A 111 -13.297 -12.134 1.696 1.00 5.35 H new ATOM 1844 N GLU A 112 -11.296 -11.235 -3.501 1.00 23.53 N ATOM 1845 CA GLU A 112 -10.854 -10.665 -4.782 1.00 42.14 C ATOM 1846 C GLU A 112 -11.515 -9.298 -5.032 1.00 32.45 C ATOM 1847 O GLU A 112 -10.833 -8.308 -5.333 1.00 45.34 O ATOM 1848 CB GLU A 112 -11.187 -11.643 -5.938 1.00 61.23 C ATOM 1849 CG GLU A 112 -10.494 -11.313 -7.271 1.00 54.32 C ATOM 1850 CD GLU A 112 -8.963 -11.386 -7.179 1.00 13.31 C ATOM 1851 OE1 GLU A 112 -8.282 -10.370 -7.455 1.00 61.02 O ATOM 1852 OE2 GLU A 112 -8.440 -12.471 -6.832 1.00 23.34 O ATOM 0 H GLU A 112 -11.977 -11.987 -3.603 1.00 23.53 H new ATOM 0 HA GLU A 112 -9.775 -10.516 -4.740 1.00 42.14 H new ATOM 0 HB2 GLU A 112 -10.905 -12.652 -5.636 1.00 61.23 H new ATOM 0 HB3 GLU A 112 -12.266 -11.647 -6.095 1.00 61.23 H new ATOM 0 HG2 GLU A 112 -10.841 -12.006 -8.037 1.00 54.32 H new ATOM 0 HG3 GLU A 112 -10.787 -10.313 -7.590 1.00 54.32 H new ATOM 1859 N ASP A 113 -12.857 -9.260 -4.894 1.00 53.33 N ATOM 1860 CA ASP A 113 -13.645 -8.037 -5.130 1.00 23.15 C ATOM 1861 C ASP A 113 -13.322 -6.971 -4.067 1.00 72.04 C ATOM 1862 O ASP A 113 -12.985 -5.840 -4.426 1.00 22.35 O ATOM 1863 CB ASP A 113 -15.171 -8.322 -5.156 1.00 72.24 C ATOM 1864 CG ASP A 113 -15.613 -9.218 -6.321 1.00 63.33 C ATOM 1865 OD1 ASP A 113 -15.955 -8.684 -7.401 1.00 31.14 O ATOM 1866 OD2 ASP A 113 -15.604 -10.458 -6.175 1.00 1.23 O ATOM 0 H ASP A 113 -13.417 -10.067 -4.619 1.00 53.33 H new ATOM 0 HA ASP A 113 -13.364 -7.659 -6.113 1.00 23.15 H new ATOM 0 HB2 ASP A 113 -15.459 -8.794 -4.217 1.00 72.24 H new ATOM 0 HB3 ASP A 113 -15.707 -7.375 -5.214 1.00 72.24 H new ATOM 1871 N GLU A 114 -13.388 -7.365 -2.763 1.00 31.32 N ATOM 1872 CA GLU A 114 -13.088 -6.458 -1.620 1.00 20.33 C ATOM 1873 C GLU A 114 -11.722 -5.764 -1.779 1.00 21.12 C ATOM 1874 O GLU A 114 -11.602 -4.573 -1.493 1.00 44.11 O ATOM 1875 CB GLU A 114 -13.124 -7.206 -0.254 1.00 64.11 C ATOM 1876 CG GLU A 114 -14.530 -7.533 0.286 1.00 14.24 C ATOM 1877 CD GLU A 114 -15.393 -6.285 0.562 1.00 33.11 C ATOM 1878 OE1 GLU A 114 -16.402 -6.071 -0.139 1.00 11.30 O ATOM 1879 OE2 GLU A 114 -15.060 -5.511 1.485 1.00 52.01 O ATOM 0 H GLU A 114 -13.648 -8.309 -2.479 1.00 31.32 H new ATOM 0 HA GLU A 114 -13.873 -5.701 -1.628 1.00 20.33 H new ATOM 0 HB2 GLU A 114 -12.567 -8.137 -0.355 1.00 64.11 H new ATOM 0 HB3 GLU A 114 -12.601 -6.600 0.486 1.00 64.11 H new ATOM 0 HG2 GLU A 114 -15.047 -8.170 -0.432 1.00 14.24 H new ATOM 0 HG3 GLU A 114 -14.431 -8.107 1.207 1.00 14.24 H new ATOM 1886 N ALA A 115 -10.722 -6.522 -2.276 1.00 41.01 N ATOM 1887 CA ALA A 115 -9.369 -6.005 -2.568 1.00 72.43 C ATOM 1888 C ALA A 115 -9.439 -4.752 -3.465 1.00 62.52 C ATOM 1889 O ALA A 115 -8.919 -3.685 -3.117 1.00 0.42 O ATOM 1890 CB ALA A 115 -8.528 -7.099 -3.254 1.00 62.02 C ATOM 0 H ALA A 115 -10.831 -7.514 -2.487 1.00 41.01 H new ATOM 0 HA ALA A 115 -8.897 -5.724 -1.626 1.00 72.43 H new ATOM 0 HB1 ALA A 115 -7.532 -6.712 -3.467 1.00 62.02 H new ATOM 0 HB2 ALA A 115 -8.448 -7.964 -2.595 1.00 62.02 H new ATOM 0 HB3 ALA A 115 -9.008 -7.396 -4.186 1.00 62.02 H new ATOM 1896 N LYS A 116 -10.184 -4.897 -4.579 1.00 14.31 N ATOM 1897 CA LYS A 116 -10.309 -3.880 -5.640 1.00 10.22 C ATOM 1898 C LYS A 116 -11.182 -2.692 -5.197 1.00 13.10 C ATOM 1899 O LYS A 116 -10.930 -1.557 -5.614 1.00 11.25 O ATOM 1900 CB LYS A 116 -10.905 -4.531 -6.919 1.00 21.30 C ATOM 1901 CG LYS A 116 -10.128 -5.774 -7.396 1.00 11.23 C ATOM 1902 CD LYS A 116 -10.799 -6.489 -8.585 1.00 53.45 C ATOM 1903 CE LYS A 116 -10.155 -7.846 -8.877 1.00 14.51 C ATOM 1904 NZ LYS A 116 -10.818 -8.539 -10.010 1.00 15.23 N ATOM 0 H LYS A 116 -10.725 -5.740 -4.769 1.00 14.31 H new ATOM 0 HA LYS A 116 -9.312 -3.493 -5.852 1.00 10.22 H new ATOM 0 HB2 LYS A 116 -11.940 -4.812 -6.725 1.00 21.30 H new ATOM 0 HB3 LYS A 116 -10.920 -3.792 -7.720 1.00 21.30 H new ATOM 0 HG2 LYS A 116 -9.119 -5.477 -7.682 1.00 11.23 H new ATOM 0 HG3 LYS A 116 -10.031 -6.475 -6.567 1.00 11.23 H new ATOM 0 HD2 LYS A 116 -11.859 -6.629 -8.372 1.00 53.45 H new ATOM 0 HD3 LYS A 116 -10.733 -5.858 -9.471 1.00 53.45 H new ATOM 0 HE2 LYS A 116 -9.099 -7.705 -9.105 1.00 14.51 H new ATOM 0 HE3 LYS A 116 -10.208 -8.473 -7.987 1.00 14.51 H new ATOM 0 HZ1 LYS A 116 -10.959 -9.541 -9.770 1.00 15.23 H new ATOM 0 HZ2 LYS A 116 -11.740 -8.095 -10.197 1.00 15.23 H new ATOM 0 HZ3 LYS A 116 -10.221 -8.467 -10.858 1.00 15.23 H new ATOM 1918 N LYS A 117 -12.204 -2.965 -4.349 1.00 71.40 N ATOM 1919 CA LYS A 117 -13.148 -1.927 -3.865 1.00 14.21 C ATOM 1920 C LYS A 117 -12.408 -0.965 -2.932 1.00 51.31 C ATOM 1921 O LYS A 117 -12.393 0.249 -3.154 1.00 31.21 O ATOM 1922 CB LYS A 117 -14.364 -2.549 -3.104 1.00 41.12 C ATOM 1923 CG LYS A 117 -15.154 -3.674 -3.819 1.00 52.43 C ATOM 1924 CD LYS A 117 -15.752 -3.312 -5.212 1.00 51.25 C ATOM 1925 CE LYS A 117 -14.783 -3.559 -6.383 1.00 2.42 C ATOM 1926 NZ LYS A 117 -15.449 -3.399 -7.701 1.00 2.22 N ATOM 0 H LYS A 117 -12.396 -3.898 -3.985 1.00 71.40 H new ATOM 0 HA LYS A 117 -13.534 -1.397 -4.736 1.00 14.21 H new ATOM 0 HB2 LYS A 117 -14.001 -2.943 -2.155 1.00 41.12 H new ATOM 0 HB3 LYS A 117 -15.061 -1.745 -2.869 1.00 41.12 H new ATOM 0 HG2 LYS A 117 -14.494 -4.533 -3.942 1.00 52.43 H new ATOM 0 HG3 LYS A 117 -15.969 -3.989 -3.167 1.00 52.43 H new ATOM 0 HD2 LYS A 117 -16.658 -3.896 -5.372 1.00 51.25 H new ATOM 0 HD3 LYS A 117 -16.046 -2.262 -5.210 1.00 51.25 H new ATOM 0 HE2 LYS A 117 -13.946 -2.864 -6.313 1.00 2.42 H new ATOM 0 HE3 LYS A 117 -14.370 -4.565 -6.305 1.00 2.42 H new ATOM 0 HZ1 LYS A 117 -14.761 -3.574 -8.461 1.00 2.22 H new ATOM 0 HZ2 LYS A 117 -16.232 -4.079 -7.779 1.00 2.22 H new ATOM 0 HZ3 LYS A 117 -15.821 -2.432 -7.787 1.00 2.22 H new ATOM 1940 N ARG A 118 -11.752 -1.561 -1.913 1.00 3.00 N ATOM 1941 CA ARG A 118 -11.000 -0.832 -0.882 1.00 2.13 C ATOM 1942 C ARG A 118 -9.817 -0.080 -1.505 1.00 51.33 C ATOM 1943 O ARG A 118 -9.467 1.011 -1.050 1.00 1.41 O ATOM 1944 CB ARG A 118 -10.497 -1.807 0.225 1.00 60.22 C ATOM 1945 CG ARG A 118 -11.603 -2.639 0.911 1.00 11.15 C ATOM 1946 CD ARG A 118 -12.688 -1.786 1.581 1.00 31.45 C ATOM 1947 NE ARG A 118 -13.804 -2.609 2.069 1.00 43.22 N ATOM 1948 CZ ARG A 118 -14.998 -2.142 2.447 1.00 12.53 C ATOM 1949 NH1 ARG A 118 -15.281 -0.843 2.388 1.00 60.02 N ATOM 1950 NH2 ARG A 118 -15.931 -2.997 2.818 1.00 20.31 N ATOM 0 H ARG A 118 -11.733 -2.573 -1.786 1.00 3.00 H new ATOM 0 HA ARG A 118 -11.671 -0.105 -0.424 1.00 2.13 H new ATOM 0 HB2 ARG A 118 -9.770 -2.489 -0.215 1.00 60.22 H new ATOM 0 HB3 ARG A 118 -9.972 -1.230 0.986 1.00 60.22 H new ATOM 0 HG2 ARG A 118 -12.069 -3.289 0.170 1.00 11.15 H new ATOM 0 HG3 ARG A 118 -11.147 -3.286 1.660 1.00 11.15 H new ATOM 0 HD2 ARG A 118 -12.253 -1.233 2.413 1.00 31.45 H new ATOM 0 HD3 ARG A 118 -13.063 -1.050 0.870 1.00 31.45 H new ATOM 0 HE ARG A 118 -13.655 -3.617 2.123 1.00 43.22 H new ATOM 0 HH11 ARG A 118 -14.581 -0.183 2.049 1.00 60.02 H new ATOM 0 HH12 ARG A 118 -16.198 -0.507 2.681 1.00 60.02 H new ATOM 0 HH21 ARG A 118 -15.736 -3.998 2.814 1.00 20.31 H new ATOM 0 HH22 ARG A 118 -16.848 -2.657 3.109 1.00 20.31 H new ATOM 1964 N LEU A 119 -9.212 -0.690 -2.549 1.00 0.32 N ATOM 1965 CA LEU A 119 -8.087 -0.095 -3.297 1.00 15.04 C ATOM 1966 C LEU A 119 -8.567 1.173 -4.027 1.00 2.33 C ATOM 1967 O LEU A 119 -7.939 2.226 -3.923 1.00 2.01 O ATOM 1968 CB LEU A 119 -7.473 -1.127 -4.309 1.00 44.04 C ATOM 1969 CG LEU A 119 -5.930 -1.009 -4.592 1.00 33.13 C ATOM 1970 CD1 LEU A 119 -5.524 0.359 -5.194 1.00 31.23 C ATOM 1971 CD2 LEU A 119 -5.118 -1.320 -3.308 1.00 0.20 C ATOM 0 H LEU A 119 -9.491 -1.608 -2.895 1.00 0.32 H new ATOM 0 HA LEU A 119 -7.301 0.178 -2.593 1.00 15.04 H new ATOM 0 HB2 LEU A 119 -7.674 -2.131 -3.935 1.00 44.04 H new ATOM 0 HB3 LEU A 119 -8.001 -1.028 -5.257 1.00 44.04 H new ATOM 0 HG LEU A 119 -5.691 -1.754 -5.351 1.00 33.13 H new ATOM 0 HD11 LEU A 119 -4.448 0.376 -5.366 1.00 31.23 H new ATOM 0 HD12 LEU A 119 -6.045 0.509 -6.140 1.00 31.23 H new ATOM 0 HD13 LEU A 119 -5.793 1.156 -4.501 1.00 31.23 H new ATOM 0 HD21 LEU A 119 -4.053 -1.234 -3.521 1.00 0.20 H new ATOM 0 HD22 LEU A 119 -5.390 -0.612 -2.525 1.00 0.20 H new ATOM 0 HD23 LEU A 119 -5.340 -2.333 -2.973 1.00 0.20 H new ATOM 1983 N LYS A 120 -9.702 1.048 -4.738 1.00 72.54 N ATOM 1984 CA LYS A 120 -10.311 2.151 -5.508 1.00 35.34 C ATOM 1985 C LYS A 120 -10.695 3.317 -4.566 1.00 50.45 C ATOM 1986 O LYS A 120 -10.561 4.498 -4.925 1.00 33.54 O ATOM 1987 CB LYS A 120 -11.538 1.601 -6.308 1.00 44.02 C ATOM 1988 CG LYS A 120 -12.143 2.547 -7.388 1.00 75.35 C ATOM 1989 CD LYS A 120 -13.108 3.615 -6.825 1.00 32.10 C ATOM 1990 CE LYS A 120 -14.325 2.990 -6.122 1.00 21.23 C ATOM 1991 NZ LYS A 120 -15.148 4.016 -5.437 1.00 65.23 N ATOM 0 H LYS A 120 -10.226 0.175 -4.796 1.00 72.54 H new ATOM 0 HA LYS A 120 -9.593 2.550 -6.225 1.00 35.34 H new ATOM 0 HB2 LYS A 120 -11.239 0.673 -6.796 1.00 44.02 H new ATOM 0 HB3 LYS A 120 -12.324 1.348 -5.596 1.00 44.02 H new ATOM 0 HG2 LYS A 120 -11.330 3.049 -7.912 1.00 75.35 H new ATOM 0 HG3 LYS A 120 -12.675 1.945 -8.125 1.00 75.35 H new ATOM 0 HD2 LYS A 120 -12.572 4.251 -6.121 1.00 32.10 H new ATOM 0 HD3 LYS A 120 -13.450 4.256 -7.637 1.00 32.10 H new ATOM 0 HE2 LYS A 120 -14.936 2.462 -6.854 1.00 21.23 H new ATOM 0 HE3 LYS A 120 -13.986 2.251 -5.396 1.00 21.23 H new ATOM 0 HZ1 LYS A 120 -15.857 3.548 -4.837 1.00 65.23 H new ATOM 0 HZ2 LYS A 120 -14.536 4.615 -4.847 1.00 65.23 H new ATOM 0 HZ3 LYS A 120 -15.629 4.606 -6.146 1.00 65.23 H new ATOM 2005 N GLU A 121 -11.149 2.959 -3.349 1.00 54.55 N ATOM 2006 CA GLU A 121 -11.462 3.923 -2.275 1.00 1.31 C ATOM 2007 C GLU A 121 -10.224 4.758 -1.883 1.00 32.22 C ATOM 2008 O GLU A 121 -10.360 5.937 -1.563 1.00 51.43 O ATOM 2009 CB GLU A 121 -12.015 3.176 -1.035 1.00 42.41 C ATOM 2010 CG GLU A 121 -13.434 2.594 -1.215 1.00 24.43 C ATOM 2011 CD GLU A 121 -13.854 1.657 -0.069 1.00 12.42 C ATOM 2012 OE1 GLU A 121 -13.724 2.053 1.111 1.00 71.22 O ATOM 2013 OE2 GLU A 121 -14.298 0.518 -0.336 1.00 0.24 O ATOM 0 H GLU A 121 -11.310 1.988 -3.082 1.00 54.55 H new ATOM 0 HA GLU A 121 -12.221 4.609 -2.652 1.00 1.31 H new ATOM 0 HB2 GLU A 121 -11.333 2.364 -0.782 1.00 42.41 H new ATOM 0 HB3 GLU A 121 -12.023 3.862 -0.188 1.00 42.41 H new ATOM 0 HG2 GLU A 121 -14.149 3.413 -1.287 1.00 24.43 H new ATOM 0 HG3 GLU A 121 -13.479 2.048 -2.157 1.00 24.43 H new ATOM 2020 N LEU A 122 -9.018 4.139 -1.939 1.00 71.53 N ATOM 2021 CA LEU A 122 -7.742 4.808 -1.573 1.00 3.34 C ATOM 2022 C LEU A 122 -7.383 5.918 -2.571 1.00 4.34 C ATOM 2023 O LEU A 122 -6.803 6.941 -2.185 1.00 73.14 O ATOM 2024 CB LEU A 122 -6.559 3.813 -1.499 1.00 14.34 C ATOM 2025 CG LEU A 122 -6.739 2.585 -0.567 1.00 5.22 C ATOM 2026 CD1 LEU A 122 -5.417 1.820 -0.461 1.00 32.12 C ATOM 2027 CD2 LEU A 122 -7.308 2.966 0.828 1.00 60.32 C ATOM 0 H LEU A 122 -8.902 3.170 -2.236 1.00 71.53 H new ATOM 0 HA LEU A 122 -7.905 5.239 -0.585 1.00 3.34 H new ATOM 0 HB2 LEU A 122 -6.357 3.449 -2.506 1.00 14.34 H new ATOM 0 HB3 LEU A 122 -5.674 4.360 -1.174 1.00 14.34 H new ATOM 0 HG LEU A 122 -7.487 1.930 -1.014 1.00 5.22 H new ATOM 0 HD11 LEU A 122 -5.547 0.958 0.194 1.00 32.12 H new ATOM 0 HD12 LEU A 122 -5.113 1.481 -1.451 1.00 32.12 H new ATOM 0 HD13 LEU A 122 -4.649 2.476 -0.050 1.00 32.12 H new ATOM 0 HD21 LEU A 122 -7.412 2.067 1.436 1.00 60.32 H new ATOM 0 HD22 LEU A 122 -6.628 3.661 1.321 1.00 60.32 H new ATOM 0 HD23 LEU A 122 -8.283 3.437 0.707 1.00 60.32 H new ATOM 2039 N LEU A 123 -7.730 5.695 -3.855 1.00 44.10 N ATOM 2040 CA LEU A 123 -7.561 6.708 -4.922 1.00 13.32 C ATOM 2041 C LEU A 123 -8.388 7.974 -4.599 1.00 63.34 C ATOM 2042 O LEU A 123 -7.955 9.100 -4.863 1.00 71.04 O ATOM 2043 CB LEU A 123 -7.948 6.146 -6.324 1.00 21.40 C ATOM 2044 CG LEU A 123 -6.908 5.190 -7.022 1.00 43.42 C ATOM 2045 CD1 LEU A 123 -5.484 5.803 -7.039 1.00 23.22 C ATOM 2046 CD2 LEU A 123 -6.902 3.772 -6.413 1.00 55.32 C ATOM 0 H LEU A 123 -8.132 4.816 -4.182 1.00 44.10 H new ATOM 0 HA LEU A 123 -6.505 6.974 -4.958 1.00 13.32 H new ATOM 0 HB2 LEU A 123 -8.890 5.607 -6.225 1.00 21.40 H new ATOM 0 HB3 LEU A 123 -8.132 6.990 -6.989 1.00 21.40 H new ATOM 0 HG LEU A 123 -7.236 5.086 -8.056 1.00 43.42 H new ATOM 0 HD11 LEU A 123 -4.797 5.113 -7.529 1.00 23.22 H new ATOM 0 HD12 LEU A 123 -5.501 6.747 -7.584 1.00 23.22 H new ATOM 0 HD13 LEU A 123 -5.152 5.981 -6.016 1.00 23.22 H new ATOM 0 HD21 LEU A 123 -6.167 3.156 -6.932 1.00 55.32 H new ATOM 0 HD22 LEU A 123 -6.644 3.831 -5.356 1.00 55.32 H new ATOM 0 HD23 LEU A 123 -7.891 3.326 -6.521 1.00 55.32 H new ATOM 2058 N GLU A 124 -9.555 7.753 -3.977 1.00 53.44 N ATOM 2059 CA GLU A 124 -10.453 8.821 -3.508 1.00 4.44 C ATOM 2060 C GLU A 124 -9.950 9.400 -2.171 1.00 50.10 C ATOM 2061 O GLU A 124 -10.190 10.568 -1.865 1.00 43.03 O ATOM 2062 CB GLU A 124 -11.889 8.269 -3.345 1.00 12.10 C ATOM 2063 CG GLU A 124 -12.443 7.588 -4.608 1.00 50.41 C ATOM 2064 CD GLU A 124 -13.870 7.061 -4.418 1.00 35.41 C ATOM 2065 OE1 GLU A 124 -14.823 7.657 -4.969 1.00 44.11 O ATOM 2066 OE2 GLU A 124 -14.045 6.057 -3.698 1.00 1.14 O ATOM 0 H GLU A 124 -9.907 6.816 -3.782 1.00 53.44 H new ATOM 0 HA GLU A 124 -10.462 9.621 -4.248 1.00 4.44 H new ATOM 0 HB2 GLU A 124 -11.901 7.553 -2.523 1.00 12.10 H new ATOM 0 HB3 GLU A 124 -12.552 9.087 -3.065 1.00 12.10 H new ATOM 0 HG2 GLU A 124 -12.429 8.298 -5.435 1.00 50.41 H new ATOM 0 HG3 GLU A 124 -11.789 6.762 -4.887 1.00 50.41 H new ATOM 2073 N LYS A 125 -9.243 8.562 -1.380 1.00 73.43 N ATOM 2074 CA LYS A 125 -8.602 8.993 -0.121 1.00 72.23 C ATOM 2075 C LYS A 125 -7.341 9.828 -0.387 1.00 5.31 C ATOM 2076 O LYS A 125 -6.774 10.410 0.541 1.00 53.04 O ATOM 2077 CB LYS A 125 -8.274 7.789 0.800 1.00 51.02 C ATOM 2078 CG LYS A 125 -9.514 7.009 1.286 1.00 42.13 C ATOM 2079 CD LYS A 125 -9.187 6.011 2.413 1.00 73.10 C ATOM 2080 CE LYS A 125 -8.724 6.712 3.699 1.00 53.52 C ATOM 2081 NZ LYS A 125 -8.463 5.741 4.789 1.00 30.50 N ATOM 0 H LYS A 125 -9.102 7.575 -1.596 1.00 73.43 H new ATOM 0 HA LYS A 125 -9.323 9.624 0.399 1.00 72.23 H new ATOM 0 HB2 LYS A 125 -7.615 7.105 0.265 1.00 51.02 H new ATOM 0 HB3 LYS A 125 -7.722 8.150 1.668 1.00 51.02 H new ATOM 0 HG2 LYS A 125 -10.266 7.715 1.639 1.00 42.13 H new ATOM 0 HG3 LYS A 125 -9.951 6.470 0.445 1.00 42.13 H new ATOM 0 HD2 LYS A 125 -10.069 5.408 2.628 1.00 73.10 H new ATOM 0 HD3 LYS A 125 -8.409 5.327 2.075 1.00 73.10 H new ATOM 0 HE2 LYS A 125 -7.818 7.284 3.496 1.00 53.52 H new ATOM 0 HE3 LYS A 125 -9.485 7.424 4.020 1.00 53.52 H new ATOM 0 HZ1 LYS A 125 -7.808 6.161 5.479 1.00 30.50 H new ATOM 0 HZ2 LYS A 125 -9.358 5.502 5.262 1.00 30.50 H new ATOM 0 HZ3 LYS A 125 -8.040 4.878 4.391 1.00 30.50 H new ATOM 2095 N VAL A 126 -6.880 9.835 -1.643 1.00 45.51 N ATOM 2096 CA VAL A 126 -5.955 10.858 -2.141 1.00 20.53 C ATOM 2097 C VAL A 126 -6.762 12.149 -2.407 1.00 12.53 C ATOM 2098 O VAL A 126 -6.482 13.219 -1.851 1.00 31.35 O ATOM 2099 CB VAL A 126 -5.238 10.407 -3.473 1.00 23.54 C ATOM 2100 CG1 VAL A 126 -4.280 11.502 -3.983 1.00 33.24 C ATOM 2101 CG2 VAL A 126 -4.502 9.057 -3.300 1.00 50.34 C ATOM 0 H VAL A 126 -7.136 9.135 -2.339 1.00 45.51 H new ATOM 0 HA VAL A 126 -5.181 11.022 -1.392 1.00 20.53 H new ATOM 0 HB VAL A 126 -6.012 10.258 -4.226 1.00 23.54 H new ATOM 0 HG11 VAL A 126 -3.799 11.166 -4.902 1.00 33.24 H new ATOM 0 HG12 VAL A 126 -4.843 12.414 -4.181 1.00 33.24 H new ATOM 0 HG13 VAL A 126 -3.520 11.701 -3.228 1.00 33.24 H new ATOM 0 HG21 VAL A 126 -4.022 8.782 -4.239 1.00 50.34 H new ATOM 0 HG22 VAL A 126 -3.747 9.152 -2.520 1.00 50.34 H new ATOM 0 HG23 VAL A 126 -5.219 8.285 -3.019 1.00 50.34 H new ATOM 2111 N LEU A 127 -7.821 11.991 -3.224 1.00 12.42 N ATOM 2112 CA LEU A 127 -8.602 13.110 -3.788 1.00 21.14 C ATOM 2113 C LEU A 127 -9.493 13.820 -2.750 1.00 12.13 C ATOM 2114 O LEU A 127 -10.076 14.860 -3.063 1.00 72.51 O ATOM 2115 CB LEU A 127 -9.444 12.604 -4.992 1.00 1.53 C ATOM 2116 CG LEU A 127 -8.626 12.006 -6.185 1.00 72.30 C ATOM 2117 CD1 LEU A 127 -9.557 11.462 -7.290 1.00 73.21 C ATOM 2118 CD2 LEU A 127 -7.598 13.024 -6.749 1.00 73.23 C ATOM 0 H LEU A 127 -8.162 11.075 -3.514 1.00 12.42 H new ATOM 0 HA LEU A 127 -7.889 13.862 -4.127 1.00 21.14 H new ATOM 0 HB2 LEU A 127 -10.138 11.844 -4.633 1.00 1.53 H new ATOM 0 HB3 LEU A 127 -10.045 13.433 -5.366 1.00 1.53 H new ATOM 0 HG LEU A 127 -8.056 11.163 -5.795 1.00 72.30 H new ATOM 0 HD11 LEU A 127 -8.957 11.054 -8.103 1.00 73.21 H new ATOM 0 HD12 LEU A 127 -10.191 10.677 -6.878 1.00 73.21 H new ATOM 0 HD13 LEU A 127 -10.182 12.270 -7.670 1.00 73.21 H new ATOM 0 HD21 LEU A 127 -7.051 12.569 -7.575 1.00 73.23 H new ATOM 0 HD22 LEU A 127 -8.122 13.911 -7.105 1.00 73.23 H new ATOM 0 HD23 LEU A 127 -6.898 13.307 -5.963 1.00 73.23 H new ATOM 2130 N GLU A 128 -9.579 13.279 -1.517 1.00 50.03 N ATOM 2131 CA GLU A 128 -10.333 13.919 -0.412 1.00 53.31 C ATOM 2132 C GLU A 128 -9.691 15.277 -0.027 1.00 44.12 C ATOM 2133 O GLU A 128 -10.386 16.213 0.368 1.00 11.41 O ATOM 2134 CB GLU A 128 -10.429 12.980 0.824 1.00 71.00 C ATOM 2135 CG GLU A 128 -9.072 12.553 1.413 1.00 12.54 C ATOM 2136 CD GLU A 128 -9.194 11.806 2.753 1.00 51.33 C ATOM 2137 OE1 GLU A 128 -9.260 12.472 3.803 1.00 73.24 O ATOM 2138 OE2 GLU A 128 -9.216 10.564 2.769 1.00 44.53 O ATOM 0 H GLU A 128 -9.135 12.398 -1.258 1.00 50.03 H new ATOM 0 HA GLU A 128 -11.348 14.107 -0.763 1.00 53.31 H new ATOM 0 HB2 GLU A 128 -11.005 13.482 1.601 1.00 71.00 H new ATOM 0 HB3 GLU A 128 -10.985 12.086 0.542 1.00 71.00 H new ATOM 0 HG2 GLU A 128 -8.558 11.914 0.695 1.00 12.54 H new ATOM 0 HG3 GLU A 128 -8.451 13.438 1.554 1.00 12.54 H new ATOM 2145 N HIS A 129 -8.350 15.364 -0.162 1.00 55.30 N ATOM 2146 CA HIS A 129 -7.579 16.615 0.031 1.00 34.52 C ATOM 2147 C HIS A 129 -6.790 16.945 -1.246 1.00 32.04 C ATOM 2148 O HIS A 129 -5.700 17.524 -1.207 1.00 2.20 O ATOM 2149 CB HIS A 129 -6.661 16.509 1.278 1.00 14.22 C ATOM 2150 CG HIS A 129 -7.411 16.418 2.579 1.00 33.14 C ATOM 2151 ND1 HIS A 129 -7.879 17.526 3.254 1.00 55.32 N ATOM 2152 CD2 HIS A 129 -7.816 15.350 3.307 1.00 1.42 C ATOM 2153 CE1 HIS A 129 -8.525 17.143 4.332 1.00 35.35 C ATOM 2154 NE2 HIS A 129 -8.502 15.829 4.388 1.00 14.53 N ATOM 0 H HIS A 129 -7.767 14.564 -0.409 1.00 55.30 H new ATOM 0 HA HIS A 129 -8.269 17.438 0.217 1.00 34.52 H new ATOM 0 HB2 HIS A 129 -6.024 15.631 1.175 1.00 14.22 H new ATOM 0 HB3 HIS A 129 -6.004 17.378 1.308 1.00 14.22 H new ATOM 0 HD2 HIS A 129 -7.631 14.311 3.076 1.00 1.42 H new ATOM 0 HE1 HIS A 129 -8.996 17.797 5.051 1.00 35.35 H new ATOM 0 HE2 HIS A 129 -8.927 15.260 5.120 1.00 14.53 H new ATOM 2163 N HIS A 130 -7.376 16.572 -2.390 1.00 50.30 N ATOM 2164 CA HIS A 130 -6.940 16.991 -3.726 1.00 53.15 C ATOM 2165 C HIS A 130 -8.204 17.302 -4.533 1.00 42.44 C ATOM 2166 O HIS A 130 -8.708 16.442 -5.264 1.00 35.22 O ATOM 2167 CB HIS A 130 -6.070 15.906 -4.430 1.00 60.12 C ATOM 2168 CG HIS A 130 -4.680 15.752 -3.882 1.00 13.51 C ATOM 2169 ND1 HIS A 130 -4.286 14.701 -3.084 1.00 1.44 N ATOM 2170 CD2 HIS A 130 -3.576 16.516 -4.050 1.00 33.45 C ATOM 2171 CE1 HIS A 130 -3.009 14.821 -2.794 1.00 31.44 C ATOM 2172 NE2 HIS A 130 -2.558 15.913 -3.369 1.00 23.11 N ATOM 0 H HIS A 130 -8.187 15.954 -2.412 1.00 50.30 H new ATOM 0 HA HIS A 130 -6.302 17.871 -3.650 1.00 53.15 H new ATOM 0 HB2 HIS A 130 -6.582 14.947 -4.355 1.00 60.12 H new ATOM 0 HB3 HIS A 130 -6.001 16.149 -5.490 1.00 60.12 H new ATOM 0 HD1 HIS A 130 -4.892 13.945 -2.766 1.00 1.44 H new ATOM 0 HD2 HIS A 130 -3.512 17.433 -4.617 1.00 33.45 H new ATOM 0 HE1 HIS A 130 -2.431 14.140 -2.188 1.00 31.44 H new ATOM 2181 N HIS A 131 -8.742 18.522 -4.318 1.00 40.11 N ATOM 2182 CA HIS A 131 -9.988 18.994 -4.950 1.00 11.23 C ATOM 2183 C HIS A 131 -9.869 18.929 -6.480 1.00 15.50 C ATOM 2184 O HIS A 131 -10.699 18.310 -7.157 1.00 55.14 O ATOM 2185 CB HIS A 131 -10.323 20.438 -4.483 1.00 12.41 C ATOM 2186 CG HIS A 131 -11.576 21.023 -5.101 1.00 74.51 C ATOM 2187 ND1 HIS A 131 -11.561 21.936 -6.140 1.00 22.51 N ATOM 2188 CD2 HIS A 131 -12.886 20.788 -4.840 1.00 73.22 C ATOM 2189 CE1 HIS A 131 -12.800 22.237 -6.477 1.00 21.14 C ATOM 2190 NE2 HIS A 131 -13.621 21.556 -5.707 1.00 43.22 N ATOM 0 H HIS A 131 -8.319 19.210 -3.696 1.00 40.11 H new ATOM 0 HA HIS A 131 -10.804 18.340 -4.642 1.00 11.23 H new ATOM 0 HB2 HIS A 131 -10.433 20.439 -3.399 1.00 12.41 H new ATOM 0 HB3 HIS A 131 -9.480 21.087 -4.718 1.00 12.41 H new ATOM 0 HD2 HIS A 131 -13.278 20.119 -4.088 1.00 73.22 H new ATOM 0 HE1 HIS A 131 -13.092 22.927 -7.255 1.00 21.14 H new ATOM 0 HE2 HIS A 131 -14.639 21.593 -5.748 1.00 43.22 H new ATOM 2199 N HIS A 132 -8.809 19.559 -7.001 1.00 23.11 N ATOM 2200 CA HIS A 132 -8.500 19.547 -8.433 1.00 70.41 C ATOM 2201 C HIS A 132 -7.587 18.353 -8.760 1.00 43.45 C ATOM 2202 O HIS A 132 -8.062 17.316 -9.239 1.00 12.43 O ATOM 2203 CB HIS A 132 -7.868 20.901 -8.868 1.00 44.32 C ATOM 2204 CG HIS A 132 -7.554 20.982 -10.343 1.00 44.01 C ATOM 2205 ND1 HIS A 132 -8.524 21.169 -11.306 1.00 21.23 N ATOM 2206 CD2 HIS A 132 -6.381 20.875 -11.020 1.00 14.12 C ATOM 2207 CE1 HIS A 132 -7.963 21.171 -12.497 1.00 4.13 C ATOM 2208 NE2 HIS A 132 -6.669 20.994 -12.349 1.00 73.15 N ATOM 0 H HIS A 132 -8.143 20.091 -6.441 1.00 23.11 H new ATOM 0 HA HIS A 132 -9.423 19.428 -9.001 1.00 70.41 H new ATOM 0 HB2 HIS A 132 -8.550 21.710 -8.606 1.00 44.32 H new ATOM 0 HB3 HIS A 132 -6.951 21.062 -8.302 1.00 44.32 H new ATOM 0 HD2 HIS A 132 -5.403 20.724 -10.587 1.00 14.12 H new ATOM 0 HE1 HIS A 132 -8.479 21.297 -13.437 1.00 4.13 H new ATOM 0 HE2 HIS A 132 -5.988 20.952 -13.107 1.00 73.15 H new ATOM 2217 N HIS A 133 -6.287 18.497 -8.437 1.00 71.42 N ATOM 2218 CA HIS A 133 -5.229 17.534 -8.797 1.00 55.04 C ATOM 2219 C HIS A 133 -3.873 18.081 -8.341 1.00 0.23 C ATOM 2220 O HIS A 133 -3.729 19.294 -8.136 1.00 13.41 O ATOM 2221 CB HIS A 133 -5.185 17.307 -10.340 1.00 21.44 C ATOM 2222 CG HIS A 133 -4.316 16.163 -10.783 1.00 5.11 C ATOM 2223 ND1 HIS A 133 -3.105 16.317 -11.430 1.00 31.41 N ATOM 2224 CD2 HIS A 133 -4.509 14.829 -10.686 1.00 71.25 C ATOM 2225 CE1 HIS A 133 -2.600 15.130 -11.701 1.00 42.22 C ATOM 2226 NE2 HIS A 133 -3.434 14.212 -11.260 1.00 45.54 N ATOM 0 H HIS A 133 -5.938 19.298 -7.911 1.00 71.42 H new ATOM 0 HA HIS A 133 -5.445 16.585 -8.306 1.00 55.04 H new ATOM 0 HB2 HIS A 133 -6.200 17.133 -10.697 1.00 21.44 H new ATOM 0 HB3 HIS A 133 -4.831 18.220 -10.818 1.00 21.44 H new ATOM 0 HD1 HIS A 133 -2.670 17.210 -11.662 1.00 31.41 H new ATOM 0 HD2 HIS A 133 -5.360 14.339 -10.236 1.00 71.25 H new ATOM 0 HE1 HIS A 133 -1.661 14.942 -12.200 1.00 42.22 H new ATOM 2235 N HIS A 134 -2.878 17.188 -8.186 1.00 23.10 N ATOM 2236 CA HIS A 134 -1.472 17.593 -8.020 1.00 21.42 C ATOM 2237 C HIS A 134 -0.748 17.397 -9.377 1.00 73.02 C ATOM 2238 O HIS A 134 -0.758 18.327 -10.210 1.00 40.53 O ATOM 2239 CB HIS A 134 -0.773 16.804 -6.868 1.00 71.22 C ATOM 2240 CG HIS A 134 0.617 17.317 -6.574 1.00 2.12 C ATOM 2241 ND1 HIS A 134 1.715 16.965 -7.324 1.00 42.35 N ATOM 2242 CD2 HIS A 134 1.067 18.217 -5.664 1.00 21.14 C ATOM 2243 CE1 HIS A 134 2.770 17.624 -6.895 1.00 73.12 C ATOM 2244 NE2 HIS A 134 2.409 18.393 -5.889 1.00 31.23 N ATOM 2245 OXT HIS A 134 -0.237 16.289 -9.636 1.00 37.08 O ATOM 0 H HIS A 134 -3.024 16.179 -8.172 1.00 23.10 H new ATOM 0 HA HIS A 134 -1.425 18.643 -7.730 1.00 21.42 H new ATOM 0 HB2 HIS A 134 -1.380 16.872 -5.965 1.00 71.22 H new ATOM 0 HB3 HIS A 134 -0.718 15.749 -7.136 1.00 71.22 H new ATOM 0 HD2 HIS A 134 0.477 18.705 -4.902 1.00 21.14 H new ATOM 0 HE1 HIS A 134 3.768 17.547 -7.301 1.00 73.12 H new ATOM 0 HE2 HIS A 134 3.024 19.015 -5.365 1.00 31.23 H new TER 2254 HIS A 134