USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot 136:sc= 0.48 USER MOD Set 1.2: A 79 CYS SG : rot 116:sc= 0.683 USER MOD Set 1.3: A 93 CYS SG : rot 130:sc= 1.37 USER MOD Set 1.4: A 96 CYS SG : rot -40:sc= 1.34 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.339 K(o=3.5,f=2.6) USER MOD Set 2.1: A 19 HIS :FLIP no HE2:sc= -5.47! C(o=-8!,f=-5.8!) USER MOD Set 2.2: A 116 MET CE :methyl -164:sc= -0.334 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 81:sc= 0.00117 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.18) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0256 K(o=-0.026,f=-1.3) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -178:sc= -0.0712 (180deg=-0.084) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 1.16 (180deg=1.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.02 USER MOD Single : A 57 SER OG : rot 140:sc= 0.159 USER MOD Single : A 60 CYS SG : rot 180:sc= -0.111 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0.82 (180deg=0.606) USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00447) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.0568 X(o=-0.057,f=-0.44) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 108:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= 1.76 K(o=1.8,f=-0.059) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 109 MET CE :methyl -165:sc= -0.257 (180deg=-0.832) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.888 9.794 -2.789 1.00 0.00 N ATOM 39 CA HIS A 4 -15.695 8.340 -2.767 1.00 0.00 C ATOM 40 C HIS A 4 -14.439 7.932 -3.560 1.00 0.00 C ATOM 41 O HIS A 4 -13.436 7.526 -2.972 1.00 0.00 O ATOM 42 CB HIS A 4 -16.979 7.645 -3.251 1.00 0.00 C ATOM 43 CG HIS A 4 -16.910 6.139 -3.165 1.00 0.00 C ATOM 44 ND1 HIS A 4 -17.139 5.385 -2.034 1.00 0.00 N ATOM 45 CD2 HIS A 4 -16.608 5.279 -4.186 1.00 0.00 C ATOM 46 CE1 HIS A 4 -16.978 4.091 -2.364 1.00 0.00 C ATOM 47 NE2 HIS A 4 -16.654 3.979 -3.666 1.00 0.00 N ATOM 0 HA HIS A 4 -15.512 8.008 -1.745 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.822 7.998 -2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.174 7.935 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.377 5.552 -5.205 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.092 3.261 -1.682 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -16.476 3.114 -4.176 1.00 0.00 H new ATOM 55 N GLU A 5 -14.456 8.061 -4.892 1.00 0.00 N ATOM 56 CA GLU A 5 -13.325 7.675 -5.759 1.00 0.00 C ATOM 57 C GLU A 5 -12.082 8.574 -5.596 1.00 0.00 C ATOM 58 O GLU A 5 -10.951 8.092 -5.678 1.00 0.00 O ATOM 59 CB GLU A 5 -13.789 7.599 -7.226 1.00 0.00 C ATOM 60 CG GLU A 5 -14.167 8.947 -7.859 1.00 0.00 C ATOM 61 CD GLU A 5 -14.821 8.740 -9.240 1.00 0.00 C ATOM 62 OE1 GLU A 5 -14.099 8.461 -10.228 1.00 0.00 O ATOM 63 OE2 GLU A 5 -16.069 8.845 -9.346 1.00 0.00 O ATOM 0 H GLU A 5 -15.254 8.436 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.000 6.686 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.995 7.146 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.650 6.933 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.854 9.482 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.277 9.567 -7.963 1.00 0.00 H new ATOM 70 N TYR A 6 -12.276 9.869 -5.320 1.00 0.00 N ATOM 71 CA TYR A 6 -11.199 10.852 -5.128 1.00 0.00 C ATOM 72 C TYR A 6 -10.645 10.904 -3.691 1.00 0.00 C ATOM 73 O TYR A 6 -9.686 11.634 -3.434 1.00 0.00 O ATOM 74 CB TYR A 6 -11.688 12.241 -5.569 1.00 0.00 C ATOM 75 CG TYR A 6 -12.097 12.325 -7.029 1.00 0.00 C ATOM 76 CD1 TYR A 6 -11.133 12.136 -8.041 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.432 12.609 -7.379 1.00 0.00 C ATOM 78 CE1 TYR A 6 -11.502 12.233 -9.396 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.806 12.711 -8.732 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.839 12.523 -9.747 1.00 0.00 C ATOM 81 OH TYR A 6 -13.186 12.631 -11.059 1.00 0.00 O ATOM 0 H TYR A 6 -13.207 10.274 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.365 10.527 -5.750 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.537 12.528 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.897 12.968 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -10.109 11.916 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -14.172 12.749 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.762 12.085 -10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.830 12.932 -8.995 1.00 0.00 H new ATOM 0 HH TYR A 6 -14.143 12.832 -11.129 1.00 0.00 H new ATOM 91 N SER A 7 -11.210 10.142 -2.748 1.00 0.00 N ATOM 92 CA SER A 7 -10.846 10.196 -1.322 1.00 0.00 C ATOM 93 C SER A 7 -9.388 9.808 -1.037 1.00 0.00 C ATOM 94 O SER A 7 -8.768 10.407 -0.159 1.00 0.00 O ATOM 95 CB SER A 7 -11.793 9.327 -0.491 1.00 0.00 C ATOM 96 OG SER A 7 -13.117 9.814 -0.633 1.00 0.00 O ATOM 0 H SER A 7 -11.942 9.462 -2.953 1.00 0.00 H new ATOM 0 HA SER A 7 -10.948 11.241 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.737 8.289 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.496 9.345 0.558 1.00 0.00 H new ATOM 0 HG SER A 7 -13.728 9.260 -0.104 1.00 0.00 H new ATOM 102 N VAL A 8 -8.800 8.873 -1.798 1.00 0.00 N ATOM 103 CA VAL A 8 -7.339 8.634 -1.779 1.00 0.00 C ATOM 104 C VAL A 8 -6.603 9.826 -2.383 1.00 0.00 C ATOM 105 O VAL A 8 -5.670 10.362 -1.789 1.00 0.00 O ATOM 106 CB VAL A 8 -6.908 7.380 -2.572 1.00 0.00 C ATOM 107 CG1 VAL A 8 -5.447 7.025 -2.274 1.00 0.00 C ATOM 108 CG2 VAL A 8 -7.742 6.143 -2.266 1.00 0.00 C ATOM 0 H VAL A 8 -9.311 8.265 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.083 8.485 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.054 7.647 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.165 6.139 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.805 7.859 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.331 6.824 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.380 5.304 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.658 5.900 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.786 6.338 -2.512 1.00 0.00 H new ATOM 118 N VAL A 9 -7.021 10.217 -3.591 1.00 0.00 N ATOM 119 CA VAL A 9 -6.330 11.154 -4.472 1.00 0.00 C ATOM 120 C VAL A 9 -6.068 12.486 -3.765 1.00 0.00 C ATOM 121 O VAL A 9 -4.915 12.851 -3.538 1.00 0.00 O ATOM 122 CB VAL A 9 -7.136 11.372 -5.768 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.348 12.225 -6.762 1.00 0.00 C ATOM 124 CG2 VAL A 9 -7.492 10.048 -6.460 1.00 0.00 C ATOM 0 H VAL A 9 -7.891 9.871 -3.997 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.365 10.721 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.054 11.879 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.937 12.365 -7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.131 13.196 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.413 11.723 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.059 10.253 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.577 9.514 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.093 9.436 -5.787 1.00 0.00 H new ATOM 134 N SER A 10 -7.135 13.190 -3.373 1.00 0.00 N ATOM 135 CA SER A 10 -7.084 14.475 -2.664 1.00 0.00 C ATOM 136 C SER A 10 -6.341 14.388 -1.327 1.00 0.00 C ATOM 137 O SER A 10 -5.628 15.322 -0.952 1.00 0.00 O ATOM 138 CB SER A 10 -8.503 14.996 -2.410 1.00 0.00 C ATOM 139 OG SER A 10 -9.221 15.090 -3.629 1.00 0.00 O ATOM 0 H SER A 10 -8.089 12.872 -3.545 1.00 0.00 H new ATOM 0 HA SER A 10 -6.533 15.161 -3.308 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.025 14.329 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.458 15.974 -1.931 1.00 0.00 H new ATOM 0 HG SER A 10 -10.126 15.422 -3.451 1.00 0.00 H new ATOM 145 N SER A 11 -6.462 13.255 -0.621 1.00 0.00 N ATOM 146 CA SER A 11 -5.731 13.003 0.630 1.00 0.00 C ATOM 147 C SER A 11 -4.216 12.967 0.399 1.00 0.00 C ATOM 148 O SER A 11 -3.470 13.607 1.142 1.00 0.00 O ATOM 149 CB SER A 11 -6.220 11.711 1.295 1.00 0.00 C ATOM 150 OG SER A 11 -5.612 11.541 2.565 1.00 0.00 O ATOM 0 H SER A 11 -7.070 12.486 -0.901 1.00 0.00 H new ATOM 0 HA SER A 11 -5.937 13.832 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.304 11.741 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.988 10.858 0.658 1.00 0.00 H new ATOM 0 HG SER A 11 -5.937 10.712 2.975 1.00 0.00 H new ATOM 156 N LEU A 12 -3.745 12.309 -0.667 1.00 0.00 N ATOM 157 CA LEU A 12 -2.331 12.299 -1.060 1.00 0.00 C ATOM 158 C LEU A 12 -1.793 13.699 -1.393 1.00 0.00 C ATOM 159 O LEU A 12 -0.692 14.038 -0.961 1.00 0.00 O ATOM 160 CB LEU A 12 -2.105 11.319 -2.231 1.00 0.00 C ATOM 161 CG LEU A 12 -1.397 10.008 -1.849 1.00 0.00 C ATOM 162 CD1 LEU A 12 0.040 10.243 -1.373 1.00 0.00 C ATOM 163 CD2 LEU A 12 -2.163 9.226 -0.781 1.00 0.00 C ATOM 0 H LEU A 12 -4.342 11.762 -1.288 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.762 11.954 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.071 11.078 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.517 11.822 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.369 9.414 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.498 9.288 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.614 10.718 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.032 10.890 -0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.624 8.309 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.256 9.834 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.156 8.977 -1.155 1.00 0.00 H new ATOM 175 N ILE A 13 -2.568 14.530 -2.103 1.00 0.00 N ATOM 176 CA ILE A 13 -2.189 15.934 -2.361 1.00 0.00 C ATOM 177 C ILE A 13 -1.974 16.686 -1.038 1.00 0.00 C ATOM 178 O ILE A 13 -0.930 17.308 -0.832 1.00 0.00 O ATOM 179 CB ILE A 13 -3.214 16.698 -3.236 1.00 0.00 C ATOM 180 CG1 ILE A 13 -3.744 15.947 -4.470 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.586 18.017 -3.711 1.00 0.00 C ATOM 182 CD1 ILE A 13 -2.683 15.356 -5.405 1.00 0.00 C ATOM 0 H ILE A 13 -3.462 14.258 -2.511 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.257 15.896 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.077 16.844 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.390 15.138 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.367 16.631 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.302 18.560 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.318 18.624 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.692 17.804 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.173 14.851 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.049 16.156 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.072 14.640 -4.855 1.00 0.00 H new ATOM 194 N ALA A 14 -2.947 16.600 -0.124 1.00 0.00 N ATOM 195 CA ALA A 14 -2.884 17.221 1.200 1.00 0.00 C ATOM 196 C ALA A 14 -1.704 16.701 2.047 1.00 0.00 C ATOM 197 O ALA A 14 -1.036 17.484 2.720 1.00 0.00 O ATOM 198 CB ALA A 14 -4.227 17.009 1.907 1.00 0.00 C ATOM 0 H ALA A 14 -3.814 16.088 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.701 18.288 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.194 17.467 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.023 17.468 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.420 15.941 2.008 1.00 0.00 H new ATOM 204 N LEU A 15 -1.411 15.398 1.994 1.00 0.00 N ATOM 205 CA LEU A 15 -0.279 14.752 2.668 1.00 0.00 C ATOM 206 C LEU A 15 1.066 15.326 2.182 1.00 0.00 C ATOM 207 O LEU A 15 1.888 15.736 3.005 1.00 0.00 O ATOM 208 CB LEU A 15 -0.422 13.228 2.473 1.00 0.00 C ATOM 209 CG LEU A 15 0.422 12.337 3.402 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.128 10.910 3.345 1.00 0.00 C ATOM 211 CD2 LEU A 15 1.897 12.281 3.007 1.00 0.00 C ATOM 0 H LEU A 15 -1.977 14.739 1.460 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.289 14.960 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.471 12.963 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.162 12.990 1.442 1.00 0.00 H new ATOM 0 HG LEU A 15 0.358 12.770 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.461 10.267 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.167 10.907 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.070 10.538 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.436 11.637 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.988 11.882 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.321 13.285 3.040 1.00 0.00 H new ATOM 223 N CYS A 16 1.286 15.409 0.866 1.00 0.00 N ATOM 224 CA CYS A 16 2.492 16.028 0.308 1.00 0.00 C ATOM 225 C CYS A 16 2.604 17.528 0.632 1.00 0.00 C ATOM 226 O CYS A 16 3.685 18.010 0.975 1.00 0.00 O ATOM 227 CB CYS A 16 2.585 15.775 -1.201 1.00 0.00 C ATOM 228 SG CYS A 16 2.736 13.994 -1.537 1.00 0.00 S ATOM 0 H CYS A 16 0.639 15.052 0.163 1.00 0.00 H new ATOM 0 HA CYS A 16 3.343 15.550 0.793 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.700 16.172 -1.698 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.445 16.303 -1.612 1.00 0.00 H new ATOM 0 HG CYS A 16 1.561 13.441 -1.481 1.00 0.00 H new ATOM 234 N GLU A 17 1.496 18.273 0.584 1.00 0.00 N ATOM 235 CA GLU A 17 1.452 19.672 1.032 1.00 0.00 C ATOM 236 C GLU A 17 1.876 19.805 2.508 1.00 0.00 C ATOM 237 O GLU A 17 2.722 20.642 2.825 1.00 0.00 O ATOM 238 CB GLU A 17 0.055 20.257 0.756 1.00 0.00 C ATOM 239 CG GLU A 17 -0.015 21.792 0.809 1.00 0.00 C ATOM 240 CD GLU A 17 -0.011 22.393 2.233 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.750 21.898 3.118 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.681 23.417 2.452 1.00 0.00 O ATOM 0 H GLU A 17 0.603 17.925 0.234 1.00 0.00 H new ATOM 0 HA GLU A 17 2.176 20.256 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.276 19.925 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.646 19.849 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.831 22.199 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.919 22.118 0.295 1.00 0.00 H new ATOM 249 N GLU A 18 1.359 18.946 3.395 1.00 0.00 N ATOM 250 CA GLU A 18 1.663 18.925 4.831 1.00 0.00 C ATOM 251 C GLU A 18 3.150 18.639 5.092 1.00 0.00 C ATOM 252 O GLU A 18 3.788 19.371 5.850 1.00 0.00 O ATOM 253 CB GLU A 18 0.762 17.896 5.543 1.00 0.00 C ATOM 254 CG GLU A 18 0.783 17.989 7.078 1.00 0.00 C ATOM 255 CD GLU A 18 -0.080 19.154 7.609 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.324 19.002 7.688 1.00 0.00 O ATOM 257 OE2 GLU A 18 0.476 20.217 7.976 1.00 0.00 O ATOM 0 H GLU A 18 0.695 18.221 3.123 1.00 0.00 H new ATOM 0 HA GLU A 18 1.455 19.914 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.263 18.028 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.072 16.894 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.423 17.051 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.811 18.118 7.417 1.00 0.00 H new ATOM 264 N HIS A 19 3.745 17.621 4.456 1.00 0.00 N ATOM 265 CA HIS A 19 5.175 17.362 4.653 1.00 0.00 C ATOM 266 C HIS A 19 6.063 18.507 4.146 1.00 0.00 C ATOM 267 O HIS A 19 7.091 18.799 4.756 1.00 0.00 O ATOM 268 CB HIS A 19 5.595 15.982 4.127 1.00 0.00 C ATOM 269 CG HIS A 19 5.637 15.715 2.639 1.00 0.00 C ATOM 270 ND1 HIS A 19 6.242 16.460 1.658 1.00 0.00 N flip ATOM 271 CD2 HIS A 19 5.296 14.509 2.066 1.00 0.00 C flip ATOM 272 CE1 HIS A 19 6.260 15.701 0.489 1.00 0.00 C flip ATOM 273 NE2 HIS A 19 5.678 14.531 0.775 1.00 0.00 N flip ATOM 0 H HIS A 19 3.273 16.980 3.818 1.00 0.00 H new ATOM 0 HA HIS A 19 5.339 17.330 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 19 6.590 15.775 4.521 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.919 15.249 4.568 1.00 0.00 H new ATOM 0 HD1 HIS A 19 6.613 17.404 1.765 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.806 13.687 2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.666 16.000 -0.466 1.00 0.00 H new ATOM 281 N ALA A 20 5.664 19.199 3.076 1.00 0.00 N ATOM 282 CA ALA A 20 6.469 20.259 2.476 1.00 0.00 C ATOM 283 C ALA A 20 6.523 21.542 3.322 1.00 0.00 C ATOM 284 O ALA A 20 7.551 22.216 3.304 1.00 0.00 O ATOM 285 CB ALA A 20 5.980 20.533 1.056 1.00 0.00 C ATOM 0 H ALA A 20 4.774 19.038 2.604 1.00 0.00 H new ATOM 0 HA ALA A 20 7.499 19.905 2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.582 21.325 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.072 19.626 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.936 20.844 1.084 1.00 0.00 H new ATOM 291 N LYS A 21 5.482 21.857 4.107 1.00 0.00 N ATOM 292 CA LYS A 21 5.536 22.901 5.153 1.00 0.00 C ATOM 293 C LYS A 21 6.210 22.422 6.446 1.00 0.00 C ATOM 294 O LYS A 21 6.864 23.220 7.116 1.00 0.00 O ATOM 295 CB LYS A 21 4.133 23.474 5.444 1.00 0.00 C ATOM 296 CG LYS A 21 3.126 22.398 5.868 1.00 0.00 C ATOM 297 CD LYS A 21 1.763 22.937 6.317 1.00 0.00 C ATOM 298 CE LYS A 21 1.782 23.356 7.794 1.00 0.00 C ATOM 299 NZ LYS A 21 0.517 22.971 8.468 1.00 0.00 N ATOM 0 H LYS A 21 4.575 21.396 4.038 1.00 0.00 H new ATOM 0 HA LYS A 21 6.161 23.699 4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.208 24.224 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.762 23.982 4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.974 21.713 5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.558 21.817 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.487 23.791 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.000 22.173 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.626 22.886 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.926 24.434 7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.597 23.156 9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.269 23.528 8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.335 21.959 8.313 1.00 0.00 H new ATOM 313 N LYS A 22 6.095 21.131 6.795 1.00 0.00 N ATOM 314 CA LYS A 22 6.622 20.556 8.052 1.00 0.00 C ATOM 315 C LYS A 22 8.146 20.425 8.008 1.00 0.00 C ATOM 316 O LYS A 22 8.840 20.805 8.950 1.00 0.00 O ATOM 317 CB LYS A 22 5.935 19.201 8.318 1.00 0.00 C ATOM 318 CG LYS A 22 6.301 18.531 9.654 1.00 0.00 C ATOM 319 CD LYS A 22 5.873 19.357 10.881 1.00 0.00 C ATOM 320 CE LYS A 22 6.035 18.582 12.198 1.00 0.00 C ATOM 321 NZ LYS A 22 7.461 18.346 12.551 1.00 0.00 N ATOM 0 H LYS A 22 5.627 20.443 6.205 1.00 0.00 H new ATOM 0 HA LYS A 22 6.395 21.230 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.855 19.347 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.188 18.518 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.830 17.549 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.378 18.370 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.467 20.270 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.832 19.659 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.552 19.136 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.521 17.624 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.514 17.820 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.918 17.794 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.948 19.259 12.656 1.00 0.00 H new ATOM 335 N ASN A 23 8.655 19.934 6.880 1.00 0.00 N ATOM 336 CA ASN A 23 10.083 19.869 6.541 1.00 0.00 C ATOM 337 C ASN A 23 10.621 21.181 5.934 1.00 0.00 C ATOM 338 O ASN A 23 11.824 21.308 5.706 1.00 0.00 O ATOM 339 CB ASN A 23 10.280 18.663 5.600 1.00 0.00 C ATOM 340 CG ASN A 23 11.741 18.279 5.402 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.332 18.485 4.353 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.368 17.693 6.399 1.00 0.00 N ATOM 0 H ASN A 23 8.062 19.553 6.143 1.00 0.00 H new ATOM 0 HA ASN A 23 10.667 19.736 7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.739 17.806 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.838 18.893 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.343 17.413 6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.879 17.519 7.277 1.00 0.00 H new ATOM 349 N GLN A 24 9.742 22.163 5.688 1.00 0.00 N ATOM 350 CA GLN A 24 10.026 23.452 5.030 1.00 0.00 C ATOM 351 C GLN A 24 10.680 23.280 3.636 1.00 0.00 C ATOM 352 O GLN A 24 11.494 24.096 3.196 1.00 0.00 O ATOM 353 CB GLN A 24 10.812 24.365 5.992 1.00 0.00 C ATOM 354 CG GLN A 24 10.071 24.628 7.317 1.00 0.00 C ATOM 355 CD GLN A 24 11.015 25.175 8.382 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.218 26.375 8.529 1.00 0.00 O ATOM 357 NE2 GLN A 24 11.637 24.316 9.165 1.00 0.00 N ATOM 0 H GLN A 24 8.761 22.078 5.956 1.00 0.00 H new ATOM 0 HA GLN A 24 9.083 23.953 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.778 23.909 6.207 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.011 25.317 5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.260 25.337 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.617 23.703 7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.477 23.315 9.053 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.279 24.652 9.883 1.00 0.00 H new ATOM 366 N ALA A 25 10.343 22.179 2.952 1.00 0.00 N ATOM 367 CA ALA A 25 10.856 21.794 1.639 1.00 0.00 C ATOM 368 C ALA A 25 10.244 22.626 0.497 1.00 0.00 C ATOM 369 O ALA A 25 10.931 22.966 -0.465 1.00 0.00 O ATOM 370 CB ALA A 25 10.550 20.303 1.448 1.00 0.00 C ATOM 0 H ALA A 25 9.673 21.503 3.320 1.00 0.00 H new ATOM 0 HA ALA A 25 11.929 21.984 1.602 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.919 19.977 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.040 19.727 2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.473 20.143 1.499 1.00 0.00 H new ATOM 376 N HIS A 26 8.945 22.939 0.607 1.00 0.00 N ATOM 377 CA HIS A 26 8.107 23.718 -0.323 1.00 0.00 C ATOM 378 C HIS A 26 8.076 23.261 -1.807 1.00 0.00 C ATOM 379 O HIS A 26 7.406 23.890 -2.627 1.00 0.00 O ATOM 380 CB HIS A 26 8.425 25.214 -0.155 1.00 0.00 C ATOM 381 CG HIS A 26 8.389 25.697 1.280 1.00 0.00 C ATOM 382 ND1 HIS A 26 9.355 26.461 1.898 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.415 25.434 2.208 1.00 0.00 C ATOM 384 CE1 HIS A 26 8.975 26.657 3.173 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.799 26.048 3.408 1.00 0.00 N ATOM 0 H HIS A 26 8.406 22.629 1.416 1.00 0.00 H new ATOM 0 HA HIS A 26 7.077 23.514 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.413 25.413 -0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.711 25.794 -0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.516 24.859 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.534 27.223 3.904 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.286 26.035 4.289 1.00 0.00 H new ATOM 393 N LYS A 27 8.744 22.154 -2.156 1.00 0.00 N ATOM 394 CA LYS A 27 8.697 21.423 -3.438 1.00 0.00 C ATOM 395 C LYS A 27 8.837 19.914 -3.191 1.00 0.00 C ATOM 396 O LYS A 27 9.252 19.496 -2.109 1.00 0.00 O ATOM 397 CB LYS A 27 9.824 21.912 -4.375 1.00 0.00 C ATOM 398 CG LYS A 27 9.583 23.328 -4.926 1.00 0.00 C ATOM 399 CD LYS A 27 10.610 23.747 -5.988 1.00 0.00 C ATOM 400 CE LYS A 27 12.007 23.960 -5.388 1.00 0.00 C ATOM 401 NZ LYS A 27 12.976 24.425 -6.416 1.00 0.00 N ATOM 0 H LYS A 27 9.384 21.707 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 27 7.736 21.616 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.770 21.896 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.922 21.217 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.583 23.378 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.611 24.041 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.662 22.983 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.278 24.667 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.950 24.692 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.361 23.028 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.910 24.559 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.047 23.715 -7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.650 25.327 -6.818 1.00 0.00 H new ATOM 415 N ILE A 28 8.533 19.105 -4.206 1.00 0.00 N ATOM 416 CA ILE A 28 8.588 17.631 -4.178 1.00 0.00 C ATOM 417 C ILE A 28 9.659 17.112 -5.156 1.00 0.00 C ATOM 418 O ILE A 28 10.012 17.779 -6.128 1.00 0.00 O ATOM 419 CB ILE A 28 7.187 17.053 -4.511 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.034 17.679 -3.689 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.139 15.518 -4.370 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.098 17.401 -2.186 1.00 0.00 C ATOM 0 H ILE A 28 8.229 19.467 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 28 8.870 17.298 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 28 7.029 17.325 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.038 18.758 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.086 17.304 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.138 15.161 -4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.861 15.067 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.384 15.239 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.252 17.878 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.061 16.325 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.027 17.802 -1.781 1.00 0.00 H new ATOM 434 N GLU A 29 10.161 15.898 -4.921 1.00 0.00 N ATOM 435 CA GLU A 29 10.937 15.098 -5.880 1.00 0.00 C ATOM 436 C GLU A 29 10.174 13.819 -6.269 1.00 0.00 C ATOM 437 O GLU A 29 9.995 13.558 -7.460 1.00 0.00 O ATOM 438 CB GLU A 29 12.336 14.818 -5.306 1.00 0.00 C ATOM 439 CG GLU A 29 13.375 14.363 -6.345 1.00 0.00 C ATOM 440 CD GLU A 29 13.264 12.875 -6.737 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.488 12.000 -5.870 1.00 0.00 O ATOM 442 OE2 GLU A 29 13.000 12.567 -7.924 1.00 0.00 O ATOM 0 H GLU A 29 10.036 15.425 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 29 11.073 15.659 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.701 15.721 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.252 14.051 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.267 14.973 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.374 14.550 -5.950 1.00 0.00 H new ATOM 449 N ARG A 30 9.664 13.050 -5.289 1.00 0.00 N ATOM 450 CA ARG A 30 8.893 11.819 -5.524 1.00 0.00 C ATOM 451 C ARG A 30 7.841 11.516 -4.454 1.00 0.00 C ATOM 452 O ARG A 30 7.944 11.958 -3.312 1.00 0.00 O ATOM 453 CB ARG A 30 9.882 10.634 -5.621 1.00 0.00 C ATOM 454 CG ARG A 30 9.506 9.609 -6.700 1.00 0.00 C ATOM 455 CD ARG A 30 9.668 10.170 -8.119 1.00 0.00 C ATOM 456 NE ARG A 30 11.074 10.451 -8.444 1.00 0.00 N ATOM 457 CZ ARG A 30 11.970 9.630 -8.952 1.00 0.00 C ATOM 458 NH1 ARG A 30 11.705 8.395 -9.279 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.177 10.072 -9.129 1.00 0.00 N ATOM 0 H ARG A 30 9.778 13.271 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 30 8.339 11.967 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.880 11.020 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.930 10.132 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.130 8.722 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.473 9.292 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.265 9.457 -8.839 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.084 11.085 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 30 11.396 11.400 -8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.765 8.022 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.438 7.802 -9.669 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.411 11.032 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.892 9.459 -9.521 1.00 0.00 H new ATOM 473 N VAL A 31 6.904 10.637 -4.797 1.00 0.00 N ATOM 474 CA VAL A 31 6.121 9.811 -3.865 1.00 0.00 C ATOM 475 C VAL A 31 6.092 8.362 -4.353 1.00 0.00 C ATOM 476 O VAL A 31 6.120 8.112 -5.557 1.00 0.00 O ATOM 477 CB VAL A 31 4.717 10.405 -3.647 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.872 10.515 -4.915 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.917 9.629 -2.593 1.00 0.00 C ATOM 0 H VAL A 31 6.654 10.469 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 31 6.602 9.811 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 31 4.918 11.417 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.900 10.943 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.379 11.157 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.733 9.524 -5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.934 10.085 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.800 8.594 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.447 9.656 -1.641 1.00 0.00 H new ATOM 489 N VAL A 32 6.058 7.409 -3.424 1.00 0.00 N ATOM 490 CA VAL A 32 6.144 5.963 -3.662 1.00 0.00 C ATOM 491 C VAL A 32 4.950 5.285 -2.995 1.00 0.00 C ATOM 492 O VAL A 32 4.870 5.236 -1.765 1.00 0.00 O ATOM 493 CB VAL A 32 7.483 5.393 -3.145 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.612 3.909 -3.507 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.690 6.124 -3.754 1.00 0.00 C ATOM 0 H VAL A 32 5.965 7.632 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 32 6.114 5.766 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 32 7.480 5.531 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.562 3.525 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.792 3.351 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.574 3.794 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.612 5.692 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.670 6.018 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.645 7.181 -3.492 1.00 0.00 H new ATOM 505 N VAL A 33 3.994 4.799 -3.791 1.00 0.00 N ATOM 506 CA VAL A 33 2.769 4.139 -3.305 1.00 0.00 C ATOM 507 C VAL A 33 2.897 2.613 -3.335 1.00 0.00 C ATOM 508 O VAL A 33 3.459 2.045 -4.269 1.00 0.00 O ATOM 509 CB VAL A 33 1.530 4.650 -4.072 1.00 0.00 C ATOM 510 CG1 VAL A 33 1.384 4.080 -5.486 1.00 0.00 C ATOM 511 CG2 VAL A 33 0.241 4.367 -3.295 1.00 0.00 C ATOM 0 H VAL A 33 4.046 4.852 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 33 2.630 4.408 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 33 1.693 5.723 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.489 4.491 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.258 4.349 -6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.301 2.994 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.614 4.738 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.136 3.293 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.282 4.868 -2.328 1.00 0.00 H new ATOM 521 N GLY A 34 2.351 1.945 -2.320 1.00 0.00 N ATOM 522 CA GLY A 34 2.251 0.494 -2.187 1.00 0.00 C ATOM 523 C GLY A 34 0.832 0.012 -2.485 1.00 0.00 C ATOM 524 O GLY A 34 -0.129 0.437 -1.836 1.00 0.00 O ATOM 0 H GLY A 34 1.943 2.432 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.953 0.014 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.535 0.198 -1.177 1.00 0.00 H new ATOM 528 N ILE A 35 0.690 -0.854 -3.490 1.00 0.00 N ATOM 529 CA ILE A 35 -0.587 -1.426 -3.939 1.00 0.00 C ATOM 530 C ILE A 35 -0.460 -2.952 -3.951 1.00 0.00 C ATOM 531 O ILE A 35 0.479 -3.492 -4.535 1.00 0.00 O ATOM 532 CB ILE A 35 -1.003 -0.865 -5.322 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.022 0.683 -5.303 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.379 -1.435 -5.724 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.534 1.334 -6.590 1.00 0.00 C ATOM 0 H ILE A 35 1.485 -1.189 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.381 -1.141 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.269 -1.175 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.645 1.015 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.012 1.042 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.667 -1.038 -6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.321 -2.522 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.123 -1.149 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.511 2.419 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.899 1.038 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.557 1.010 -6.780 1.00 0.00 H new ATOM 547 N GLY A 36 -1.386 -3.646 -3.288 1.00 0.00 N ATOM 548 CA GLY A 36 -1.396 -5.114 -3.208 1.00 0.00 C ATOM 549 C GLY A 36 -1.531 -5.773 -4.586 1.00 0.00 C ATOM 550 O GLY A 36 -2.248 -5.281 -5.460 1.00 0.00 O ATOM 0 H GLY A 36 -2.157 -3.205 -2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.476 -5.456 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.221 -5.435 -2.572 1.00 0.00 H new ATOM 554 N GLU A 37 -0.871 -6.913 -4.797 1.00 0.00 N ATOM 555 CA GLU A 37 -0.727 -7.517 -6.133 1.00 0.00 C ATOM 556 C GLU A 37 -1.997 -8.268 -6.592 1.00 0.00 C ATOM 557 O GLU A 37 -2.066 -8.762 -7.720 1.00 0.00 O ATOM 558 CB GLU A 37 0.551 -8.378 -6.211 1.00 0.00 C ATOM 559 CG GLU A 37 0.560 -9.585 -5.261 1.00 0.00 C ATOM 560 CD GLU A 37 1.827 -10.459 -5.366 1.00 0.00 C ATOM 561 OE1 GLU A 37 2.489 -10.485 -6.431 1.00 0.00 O ATOM 562 OE2 GLU A 37 2.137 -11.169 -4.380 1.00 0.00 O ATOM 0 H GLU A 37 -0.421 -7.446 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.610 -6.704 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.673 -8.735 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.413 -7.749 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.462 -9.228 -4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.313 -10.203 -5.468 1.00 0.00 H new ATOM 569 N ARG A 38 -3.010 -8.333 -5.715 1.00 0.00 N ATOM 570 CA ARG A 38 -4.365 -8.878 -5.923 1.00 0.00 C ATOM 571 C ARG A 38 -5.473 -7.809 -5.872 1.00 0.00 C ATOM 572 O ARG A 38 -6.634 -8.130 -6.128 1.00 0.00 O ATOM 573 CB ARG A 38 -4.629 -9.966 -4.860 1.00 0.00 C ATOM 574 CG ARG A 38 -4.219 -11.394 -5.247 1.00 0.00 C ATOM 575 CD ARG A 38 -2.789 -11.556 -5.762 1.00 0.00 C ATOM 576 NE ARG A 38 -2.414 -12.978 -5.905 1.00 0.00 N ATOM 577 CZ ARG A 38 -1.349 -13.462 -6.517 1.00 0.00 C ATOM 578 NH1 ARG A 38 -0.531 -12.701 -7.188 1.00 0.00 N ATOM 579 NH2 ARG A 38 -1.088 -14.735 -6.465 1.00 0.00 N ATOM 0 H ARG A 38 -2.896 -7.978 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.398 -9.296 -6.929 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.100 -9.691 -3.948 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.693 -9.965 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.347 -12.038 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.905 -11.754 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.691 -11.056 -6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.098 -11.065 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.046 -13.660 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.704 -11.698 -7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.283 -13.108 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.707 -15.362 -5.951 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.265 -15.107 -6.939 1.00 0.00 H new ATOM 593 N SER A 39 -5.151 -6.554 -5.540 1.00 0.00 N ATOM 594 CA SER A 39 -6.133 -5.512 -5.188 1.00 0.00 C ATOM 595 C SER A 39 -6.959 -4.973 -6.364 1.00 0.00 C ATOM 596 O SER A 39 -7.969 -4.308 -6.137 1.00 0.00 O ATOM 597 CB SER A 39 -5.428 -4.342 -4.492 1.00 0.00 C ATOM 598 OG SER A 39 -4.744 -4.815 -3.345 1.00 0.00 O ATOM 0 H SER A 39 -4.186 -6.224 -5.507 1.00 0.00 H new ATOM 0 HA SER A 39 -6.843 -6.004 -4.523 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.725 -3.868 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.156 -3.583 -4.207 1.00 0.00 H new ATOM 0 HG SER A 39 -4.292 -4.067 -2.902 1.00 0.00 H new ATOM 604 N ALA A 40 -6.546 -5.245 -7.610 1.00 0.00 N ATOM 605 CA ALA A 40 -7.196 -4.890 -8.883 1.00 0.00 C ATOM 606 C ALA A 40 -7.470 -3.384 -9.144 1.00 0.00 C ATOM 607 O ALA A 40 -7.952 -3.027 -10.223 1.00 0.00 O ATOM 608 CB ALA A 40 -8.441 -5.774 -9.059 1.00 0.00 C ATOM 0 H ALA A 40 -5.680 -5.760 -7.768 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.464 -5.096 -9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.935 -5.524 -9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.144 -6.823 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.129 -5.603 -8.231 1.00 0.00 H new ATOM 614 N MET A 41 -7.139 -2.490 -8.205 1.00 0.00 N ATOM 615 CA MET A 41 -7.176 -1.031 -8.365 1.00 0.00 C ATOM 616 C MET A 41 -6.103 -0.573 -9.364 1.00 0.00 C ATOM 617 O MET A 41 -4.905 -0.712 -9.111 1.00 0.00 O ATOM 618 CB MET A 41 -6.991 -0.341 -7.003 1.00 0.00 C ATOM 619 CG MET A 41 -8.236 -0.507 -6.122 1.00 0.00 C ATOM 620 SD MET A 41 -8.142 0.300 -4.498 1.00 0.00 S ATOM 621 CE MET A 41 -7.054 -0.858 -3.626 1.00 0.00 C ATOM 0 H MET A 41 -6.826 -2.774 -7.277 1.00 0.00 H new ATOM 0 HA MET A 41 -8.150 -0.746 -8.762 1.00 0.00 H new ATOM 0 HB2 MET A 41 -6.124 -0.762 -6.494 1.00 0.00 H new ATOM 0 HB3 MET A 41 -6.788 0.719 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 41 -9.098 -0.110 -6.659 1.00 0.00 H new ATOM 0 HG3 MET A 41 -8.417 -1.571 -5.972 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.921 -0.527 -2.596 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.500 -1.852 -3.633 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.085 -0.892 -4.124 1.00 0.00 H new ATOM 631 N ASP A 42 -6.530 -0.064 -10.521 1.00 0.00 N ATOM 632 CA ASP A 42 -5.652 0.365 -11.616 1.00 0.00 C ATOM 633 C ASP A 42 -4.717 1.523 -11.211 1.00 0.00 C ATOM 634 O ASP A 42 -5.138 2.674 -11.065 1.00 0.00 O ATOM 635 CB ASP A 42 -6.495 0.719 -12.852 1.00 0.00 C ATOM 636 CG ASP A 42 -5.643 1.132 -14.067 1.00 0.00 C ATOM 637 OD1 ASP A 42 -4.406 0.924 -14.057 1.00 0.00 O ATOM 638 OD2 ASP A 42 -6.217 1.681 -15.035 1.00 0.00 O ATOM 0 H ASP A 42 -7.520 0.065 -10.730 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.997 -0.470 -11.864 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.111 -0.139 -13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.175 1.532 -12.600 1.00 0.00 H new ATOM 643 N LYS A 43 -3.423 1.219 -11.070 1.00 0.00 N ATOM 644 CA LYS A 43 -2.341 2.184 -10.831 1.00 0.00 C ATOM 645 C LYS A 43 -2.292 3.333 -11.842 1.00 0.00 C ATOM 646 O LYS A 43 -1.997 4.464 -11.456 1.00 0.00 O ATOM 647 CB LYS A 43 -1.002 1.434 -10.773 1.00 0.00 C ATOM 648 CG LYS A 43 -0.643 0.652 -12.047 1.00 0.00 C ATOM 649 CD LYS A 43 0.635 -0.188 -11.934 1.00 0.00 C ATOM 650 CE LYS A 43 0.524 -1.272 -10.854 1.00 0.00 C ATOM 651 NZ LYS A 43 1.680 -2.202 -10.898 1.00 0.00 N ATOM 0 H LYS A 43 -3.086 0.258 -11.121 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.545 2.665 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.208 2.153 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.027 0.740 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.474 -0.005 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.529 1.356 -12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.846 -0.656 -12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.478 0.465 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.469 -0.804 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.401 -1.832 -10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.558 -2.942 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.737 -2.641 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.557 -1.676 -10.708 1.00 0.00 H new ATOM 665 N SER A 44 -2.606 3.064 -13.113 1.00 0.00 N ATOM 666 CA SER A 44 -2.642 4.062 -14.191 1.00 0.00 C ATOM 667 C SER A 44 -3.756 5.089 -13.962 1.00 0.00 C ATOM 668 O SER A 44 -3.526 6.291 -14.095 1.00 0.00 O ATOM 669 CB SER A 44 -2.809 3.373 -15.552 1.00 0.00 C ATOM 670 OG SER A 44 -2.475 4.256 -16.613 1.00 0.00 O ATOM 0 H SER A 44 -2.848 2.125 -13.430 1.00 0.00 H new ATOM 0 HA SER A 44 -1.693 4.598 -14.186 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.174 2.488 -15.596 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.838 3.032 -15.668 1.00 0.00 H new ATOM 0 HG SER A 44 -2.587 3.795 -17.470 1.00 0.00 H new ATOM 676 N LEU A 45 -4.946 4.637 -13.545 1.00 0.00 N ATOM 677 CA LEU A 45 -6.043 5.501 -13.100 1.00 0.00 C ATOM 678 C LEU A 45 -5.607 6.336 -11.890 1.00 0.00 C ATOM 679 O LEU A 45 -5.703 7.561 -11.929 1.00 0.00 O ATOM 680 CB LEU A 45 -7.291 4.637 -12.817 1.00 0.00 C ATOM 681 CG LEU A 45 -8.637 5.360 -12.615 1.00 0.00 C ATOM 682 CD1 LEU A 45 -8.727 6.211 -11.346 1.00 0.00 C ATOM 683 CD2 LEU A 45 -9.027 6.223 -13.816 1.00 0.00 C ATOM 0 H LEU A 45 -5.175 3.644 -13.507 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.306 6.210 -13.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.408 3.937 -13.644 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.092 4.044 -11.924 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.344 4.538 -12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.710 6.680 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.578 5.577 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.958 6.983 -11.370 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.983 6.709 -13.620 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.262 6.981 -13.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.115 5.595 -14.702 1.00 0.00 H new ATOM 695 N PHE A 46 -5.088 5.692 -10.838 1.00 0.00 N ATOM 696 CA PHE A 46 -4.669 6.365 -9.605 1.00 0.00 C ATOM 697 C PHE A 46 -3.664 7.506 -9.852 1.00 0.00 C ATOM 698 O PHE A 46 -3.919 8.647 -9.457 1.00 0.00 O ATOM 699 CB PHE A 46 -4.109 5.346 -8.602 1.00 0.00 C ATOM 700 CG PHE A 46 -3.555 6.001 -7.349 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.397 6.806 -6.556 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.189 5.880 -7.020 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.883 7.487 -5.440 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.684 6.551 -5.890 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.527 7.353 -5.103 1.00 0.00 C ATOM 0 H PHE A 46 -4.946 4.682 -10.819 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.559 6.830 -9.181 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.897 4.646 -8.323 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.321 4.765 -9.082 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.443 6.900 -6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.534 5.276 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.530 8.112 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.642 6.448 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.132 7.866 -4.239 1.00 0.00 H new ATOM 715 N VAL A 47 -2.540 7.232 -10.526 1.00 0.00 N ATOM 716 CA VAL A 47 -1.560 8.278 -10.868 1.00 0.00 C ATOM 717 C VAL A 47 -2.144 9.358 -11.753 1.00 0.00 C ATOM 718 O VAL A 47 -1.924 10.538 -11.499 1.00 0.00 O ATOM 719 CB VAL A 47 -0.286 7.702 -11.488 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.392 7.122 -12.898 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.855 8.720 -11.501 1.00 0.00 C ATOM 0 H VAL A 47 -2.284 6.298 -10.846 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.288 8.744 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.088 6.862 -10.822 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.583 6.750 -13.213 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.111 6.303 -12.901 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.723 7.899 -13.587 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.740 8.269 -11.950 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.558 9.592 -12.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.082 9.025 -10.480 1.00 0.00 H new ATOM 731 N SER A 48 -2.934 8.979 -12.754 1.00 0.00 N ATOM 732 CA SER A 48 -3.569 9.953 -13.635 1.00 0.00 C ATOM 733 C SER A 48 -4.512 10.893 -12.862 1.00 0.00 C ATOM 734 O SER A 48 -4.567 12.091 -13.145 1.00 0.00 O ATOM 735 CB SER A 48 -4.293 9.222 -14.764 1.00 0.00 C ATOM 736 OG SER A 48 -4.818 10.132 -15.715 1.00 0.00 O ATOM 0 H SER A 48 -3.149 8.007 -12.974 1.00 0.00 H new ATOM 0 HA SER A 48 -2.797 10.588 -14.070 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.604 8.536 -15.256 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.101 8.619 -14.350 1.00 0.00 H new ATOM 0 HG SER A 48 -5.274 9.635 -16.426 1.00 0.00 H new ATOM 742 N ALA A 49 -5.179 10.389 -11.816 1.00 0.00 N ATOM 743 CA ALA A 49 -6.012 11.193 -10.919 1.00 0.00 C ATOM 744 C ALA A 49 -5.170 12.177 -10.084 1.00 0.00 C ATOM 745 O ALA A 49 -5.507 13.359 -10.001 1.00 0.00 O ATOM 746 CB ALA A 49 -6.866 10.275 -10.034 1.00 0.00 C ATOM 0 H ALA A 49 -5.154 9.400 -11.568 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.682 11.803 -11.526 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.483 10.881 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.508 9.658 -10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.215 9.634 -9.440 1.00 0.00 H new ATOM 752 N PHE A 50 -4.054 11.721 -9.504 1.00 0.00 N ATOM 753 CA PHE A 50 -3.079 12.571 -8.804 1.00 0.00 C ATOM 754 C PHE A 50 -2.500 13.674 -9.716 1.00 0.00 C ATOM 755 O PHE A 50 -2.459 14.843 -9.331 1.00 0.00 O ATOM 756 CB PHE A 50 -1.999 11.651 -8.215 1.00 0.00 C ATOM 757 CG PHE A 50 -0.790 12.331 -7.598 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.341 12.600 -8.394 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.762 12.637 -6.224 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.494 13.162 -7.821 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.398 13.186 -5.646 1.00 0.00 C ATOM 762 CZ PHE A 50 1.527 13.442 -6.444 1.00 0.00 C ATOM 0 H PHE A 50 -3.797 10.734 -9.507 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.569 13.117 -7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.463 11.025 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.650 10.986 -9.005 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.321 12.373 -9.450 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.632 12.450 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.354 13.379 -8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.421 13.411 -4.590 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.420 13.854 -5.999 1.00 0.00 H new ATOM 772 N GLU A 51 -2.118 13.337 -10.952 1.00 0.00 N ATOM 773 CA GLU A 51 -1.601 14.272 -11.968 1.00 0.00 C ATOM 774 C GLU A 51 -2.623 15.336 -12.403 1.00 0.00 C ATOM 775 O GLU A 51 -2.243 16.422 -12.843 1.00 0.00 O ATOM 776 CB GLU A 51 -1.149 13.498 -13.215 1.00 0.00 C ATOM 777 CG GLU A 51 0.087 12.638 -12.956 1.00 0.00 C ATOM 778 CD GLU A 51 1.368 13.491 -12.886 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.971 13.761 -13.955 1.00 0.00 O ATOM 780 OE2 GLU A 51 1.769 13.885 -11.764 1.00 0.00 O ATOM 0 H GLU A 51 -2.160 12.375 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.765 14.790 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.964 12.862 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.935 14.203 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.039 12.092 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.187 11.896 -13.748 1.00 0.00 H new ATOM 787 N THR A 52 -3.916 15.047 -12.270 1.00 0.00 N ATOM 788 CA THR A 52 -4.992 16.051 -12.336 1.00 0.00 C ATOM 789 C THR A 52 -5.041 16.895 -11.054 1.00 0.00 C ATOM 790 O THR A 52 -4.902 18.119 -11.105 1.00 0.00 O ATOM 791 CB THR A 52 -6.355 15.388 -12.617 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.345 14.753 -13.879 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.516 16.379 -12.637 1.00 0.00 C ATOM 0 H THR A 52 -4.257 14.099 -12.111 1.00 0.00 H new ATOM 0 HA THR A 52 -4.771 16.721 -13.167 1.00 0.00 H new ATOM 0 HB THR A 52 -6.502 14.679 -11.802 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.822 13.926 -13.825 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.445 15.847 -12.840 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.587 16.876 -11.670 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.346 17.123 -13.416 1.00 0.00 H new ATOM 801 N PHE A 53 -5.248 16.266 -9.892 1.00 0.00 N ATOM 802 CA PHE A 53 -5.559 16.947 -8.625 1.00 0.00 C ATOM 803 C PHE A 53 -4.404 17.751 -7.989 1.00 0.00 C ATOM 804 O PHE A 53 -4.665 18.598 -7.132 1.00 0.00 O ATOM 805 CB PHE A 53 -6.165 15.939 -7.631 1.00 0.00 C ATOM 806 CG PHE A 53 -7.641 16.167 -7.375 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.052 17.289 -6.627 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.608 15.285 -7.897 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.419 17.534 -6.411 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.976 15.534 -7.682 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.381 16.658 -6.942 1.00 0.00 C ATOM 0 H PHE A 53 -5.204 15.251 -9.801 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.288 17.716 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.021 14.929 -8.015 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.625 16.001 -6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.314 17.963 -6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.299 14.418 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.730 18.395 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.716 14.860 -8.087 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.432 16.849 -6.781 1.00 0.00 H new ATOM 821 N ARG A 54 -3.149 17.569 -8.429 1.00 0.00 N ATOM 822 CA ARG A 54 -1.959 18.334 -7.987 1.00 0.00 C ATOM 823 C ARG A 54 -2.095 19.858 -8.089 1.00 0.00 C ATOM 824 O ARG A 54 -1.435 20.580 -7.347 1.00 0.00 O ATOM 825 CB ARG A 54 -0.706 17.836 -8.734 1.00 0.00 C ATOM 826 CG ARG A 54 -0.740 18.115 -10.245 1.00 0.00 C ATOM 827 CD ARG A 54 0.465 17.525 -10.991 1.00 0.00 C ATOM 828 NE ARG A 54 0.251 17.636 -12.444 1.00 0.00 N ATOM 829 CZ ARG A 54 1.021 18.133 -13.393 1.00 0.00 C ATOM 830 NH1 ARG A 54 2.210 18.616 -13.176 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.579 18.163 -14.618 1.00 0.00 N ATOM 0 H ARG A 54 -2.921 16.861 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.860 18.140 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.176 18.312 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.600 16.763 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.658 17.702 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.770 19.192 -10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.375 18.053 -10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.602 16.480 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.642 17.267 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.593 18.623 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.759 18.987 -13.951 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.352 17.805 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.163 18.544 -15.362 1.00 0.00 H new ATOM 845 N GLU A 55 -2.975 20.343 -8.963 1.00 0.00 N ATOM 846 CA GLU A 55 -3.298 21.764 -9.164 1.00 0.00 C ATOM 847 C GLU A 55 -3.924 22.437 -7.931 1.00 0.00 C ATOM 848 O GLU A 55 -3.843 23.656 -7.775 1.00 0.00 O ATOM 849 CB GLU A 55 -4.284 21.882 -10.331 1.00 0.00 C ATOM 850 CG GLU A 55 -3.652 21.491 -11.669 1.00 0.00 C ATOM 851 CD GLU A 55 -3.233 22.730 -12.484 1.00 0.00 C ATOM 852 OE1 GLU A 55 -2.191 23.347 -12.160 1.00 0.00 O ATOM 853 OE2 GLU A 55 -3.945 23.098 -13.451 1.00 0.00 O ATOM 0 H GLU A 55 -3.509 19.732 -9.581 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.356 22.275 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.147 21.245 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.651 22.907 -10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.781 20.861 -11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.361 20.898 -12.247 1.00 0.00 H new ATOM 860 N GLU A 56 -4.543 21.651 -7.045 1.00 0.00 N ATOM 861 CA GLU A 56 -5.058 22.119 -5.747 1.00 0.00 C ATOM 862 C GLU A 56 -3.934 22.544 -4.770 1.00 0.00 C ATOM 863 O GLU A 56 -4.150 23.385 -3.893 1.00 0.00 O ATOM 864 CB GLU A 56 -5.950 21.020 -5.140 1.00 0.00 C ATOM 865 CG GLU A 56 -6.739 21.503 -3.915 1.00 0.00 C ATOM 866 CD GLU A 56 -7.800 20.471 -3.488 1.00 0.00 C ATOM 867 OE1 GLU A 56 -7.474 19.555 -2.696 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.972 20.590 -3.919 1.00 0.00 O ATOM 0 H GLU A 56 -4.705 20.657 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.648 23.019 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.647 20.664 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.329 20.171 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.053 21.686 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.224 22.452 -4.143 1.00 0.00 H new ATOM 875 N SER A 57 -2.724 21.995 -4.929 1.00 0.00 N ATOM 876 CA SER A 57 -1.511 22.367 -4.189 1.00 0.00 C ATOM 877 C SER A 57 -0.776 23.562 -4.820 1.00 0.00 C ATOM 878 O SER A 57 -1.121 24.034 -5.905 1.00 0.00 O ATOM 879 CB SER A 57 -0.573 21.157 -4.185 1.00 0.00 C ATOM 880 OG SER A 57 0.489 21.310 -3.258 1.00 0.00 O ATOM 0 H SER A 57 -2.556 21.249 -5.604 1.00 0.00 H new ATOM 0 HA SER A 57 -1.804 22.662 -3.181 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.141 20.259 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.163 21.013 -5.185 1.00 0.00 H new ATOM 0 HG SER A 57 0.655 20.456 -2.807 1.00 0.00 H new ATOM 886 N LEU A 58 0.310 23.998 -4.178 1.00 0.00 N ATOM 887 CA LEU A 58 1.418 24.714 -4.814 1.00 0.00 C ATOM 888 C LEU A 58 2.622 23.792 -5.042 1.00 0.00 C ATOM 889 O LEU A 58 3.224 23.834 -6.116 1.00 0.00 O ATOM 890 CB LEU A 58 1.820 25.927 -3.949 1.00 0.00 C ATOM 891 CG LEU A 58 0.979 27.214 -4.078 1.00 0.00 C ATOM 892 CD1 LEU A 58 0.986 27.775 -5.502 1.00 0.00 C ATOM 893 CD2 LEU A 58 -0.474 27.050 -3.629 1.00 0.00 C ATOM 0 H LEU A 58 0.447 23.859 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 58 1.084 25.065 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.797 25.616 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.854 26.178 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 58 1.468 27.916 -3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.380 28.680 -5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.009 28.011 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.574 27.034 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.001 27.997 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.958 26.285 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.499 26.751 -2.581 1.00 0.00 H new ATOM 905 N VAL A 59 2.958 22.948 -4.063 1.00 0.00 N ATOM 906 CA VAL A 59 4.165 22.102 -4.050 1.00 0.00 C ATOM 907 C VAL A 59 4.016 20.870 -4.942 1.00 0.00 C ATOM 908 O VAL A 59 4.989 20.419 -5.546 1.00 0.00 O ATOM 909 CB VAL A 59 4.562 21.687 -2.611 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.454 22.863 -1.627 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.740 20.531 -2.020 1.00 0.00 C ATOM 0 H VAL A 59 2.383 22.827 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 59 4.970 22.712 -4.460 1.00 0.00 H new ATOM 0 HB VAL A 59 5.593 21.351 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.741 22.530 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.118 23.667 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.427 23.227 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.091 20.313 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.688 20.814 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.857 19.645 -2.644 1.00 0.00 H new ATOM 921 N CYS A 60 2.798 20.326 -5.043 1.00 0.00 N ATOM 922 CA CYS A 60 2.541 19.031 -5.669 1.00 0.00 C ATOM 923 C CYS A 60 2.574 19.102 -7.202 1.00 0.00 C ATOM 924 O CYS A 60 2.669 18.060 -7.853 1.00 0.00 O ATOM 925 CB CYS A 60 1.195 18.500 -5.155 1.00 0.00 C ATOM 926 SG CYS A 60 1.108 16.702 -5.360 1.00 0.00 S ATOM 0 H CYS A 60 1.957 20.780 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 60 3.339 18.342 -5.392 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.072 18.759 -4.103 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.378 18.975 -5.698 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.036 16.270 -4.919 1.00 0.00 H new ATOM 932 N LYS A 61 2.505 20.309 -7.797 1.00 0.00 N ATOM 933 CA LYS A 61 2.549 20.445 -9.265 1.00 0.00 C ATOM 934 C LYS A 61 3.825 19.854 -9.872 1.00 0.00 C ATOM 935 O LYS A 61 3.754 19.145 -10.875 1.00 0.00 O ATOM 936 CB LYS A 61 2.356 21.897 -9.731 1.00 0.00 C ATOM 937 CG LYS A 61 0.888 22.359 -9.678 1.00 0.00 C ATOM 938 CD LYS A 61 0.516 23.225 -8.467 1.00 0.00 C ATOM 939 CE LYS A 61 0.846 24.722 -8.624 1.00 0.00 C ATOM 940 NZ LYS A 61 2.304 25.024 -8.587 1.00 0.00 N ATOM 0 H LYS A 61 2.420 21.191 -7.292 1.00 0.00 H new ATOM 0 HA LYS A 61 1.704 19.863 -9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.961 22.556 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.725 21.997 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.668 22.920 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.247 21.478 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.552 23.120 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.036 22.842 -7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.435 25.078 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.349 25.279 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.444 26.053 -8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.732 24.568 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.755 24.663 -9.451 1.00 0.00 H new ATOM 954 N ASP A 62 4.973 20.113 -9.249 1.00 0.00 N ATOM 955 CA ASP A 62 6.282 19.580 -9.641 1.00 0.00 C ATOM 956 C ASP A 62 6.613 18.316 -8.820 1.00 0.00 C ATOM 957 O ASP A 62 7.436 18.343 -7.905 1.00 0.00 O ATOM 958 CB ASP A 62 7.349 20.679 -9.512 1.00 0.00 C ATOM 959 CG ASP A 62 7.133 21.808 -10.532 1.00 0.00 C ATOM 960 OD1 ASP A 62 7.480 21.618 -11.723 1.00 0.00 O ATOM 961 OD2 ASP A 62 6.615 22.883 -10.144 1.00 0.00 O ATOM 0 H ASP A 62 5.022 20.719 -8.430 1.00 0.00 H new ATOM 0 HA ASP A 62 6.263 19.273 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.326 21.091 -8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.338 20.244 -9.656 1.00 0.00 H new ATOM 966 N ALA A 63 5.948 17.203 -9.144 1.00 0.00 N ATOM 967 CA ALA A 63 6.125 15.885 -8.522 1.00 0.00 C ATOM 968 C ALA A 63 6.001 14.739 -9.546 1.00 0.00 C ATOM 969 O ALA A 63 5.473 14.931 -10.644 1.00 0.00 O ATOM 970 CB ALA A 63 5.070 15.729 -7.415 1.00 0.00 C ATOM 0 H ALA A 63 5.241 17.194 -9.879 1.00 0.00 H new ATOM 0 HA ALA A 63 7.130 15.825 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.184 14.755 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.204 16.514 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.073 15.807 -7.849 1.00 0.00 H new ATOM 976 N ILE A 64 6.430 13.533 -9.157 1.00 0.00 N ATOM 977 CA ILE A 64 6.187 12.255 -9.850 1.00 0.00 C ATOM 978 C ILE A 64 5.794 11.194 -8.805 1.00 0.00 C ATOM 979 O ILE A 64 6.334 11.168 -7.696 1.00 0.00 O ATOM 980 CB ILE A 64 7.427 11.824 -10.678 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.797 12.791 -11.822 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.319 10.383 -11.219 1.00 0.00 C ATOM 983 CD1 ILE A 64 6.795 12.830 -12.978 1.00 0.00 C ATOM 0 H ILE A 64 6.984 13.412 -8.309 1.00 0.00 H new ATOM 0 HA ILE A 64 5.368 12.370 -10.561 1.00 0.00 H new ATOM 0 HB ILE A 64 8.242 11.862 -9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.896 13.796 -11.412 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.774 12.509 -12.215 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.216 10.140 -11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.220 9.688 -10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.445 10.302 -11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.139 13.536 -13.734 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.711 11.837 -13.421 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.820 13.144 -12.604 1.00 0.00 H new ATOM 995 N LEU A 65 4.861 10.309 -9.169 1.00 0.00 N ATOM 996 CA LEU A 65 4.273 9.265 -8.324 1.00 0.00 C ATOM 997 C LEU A 65 4.643 7.881 -8.880 1.00 0.00 C ATOM 998 O LEU A 65 4.168 7.468 -9.938 1.00 0.00 O ATOM 999 CB LEU A 65 2.761 9.556 -8.188 1.00 0.00 C ATOM 1000 CG LEU A 65 1.809 8.379 -7.893 1.00 0.00 C ATOM 1001 CD1 LEU A 65 2.139 7.527 -6.669 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.401 8.931 -7.667 1.00 0.00 C ATOM 0 H LEU A 65 4.475 10.301 -10.113 1.00 0.00 H new ATOM 0 HA LEU A 65 4.674 9.265 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.635 10.291 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.429 10.027 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 65 1.909 7.729 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.399 6.733 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.129 7.087 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.125 8.152 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.283 8.109 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.411 9.619 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.070 9.459 -8.561 1.00 0.00 H new ATOM 1014 N ASP A 66 5.537 7.189 -8.170 1.00 0.00 N ATOM 1015 CA ASP A 66 5.982 5.824 -8.480 1.00 0.00 C ATOM 1016 C ASP A 66 5.130 4.765 -7.758 1.00 0.00 C ATOM 1017 O ASP A 66 4.716 4.951 -6.612 1.00 0.00 O ATOM 1018 CB ASP A 66 7.464 5.648 -8.097 1.00 0.00 C ATOM 1019 CG ASP A 66 8.425 6.198 -9.164 1.00 0.00 C ATOM 1020 OD1 ASP A 66 8.316 5.792 -10.347 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.330 6.994 -8.817 1.00 0.00 O ATOM 0 H ASP A 66 5.986 7.572 -7.338 1.00 0.00 H new ATOM 0 HA ASP A 66 5.860 5.677 -9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.652 6.154 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.671 4.589 -7.940 1.00 0.00 H new ATOM 1026 N ILE A 67 4.906 3.627 -8.421 1.00 0.00 N ATOM 1027 CA ILE A 67 4.113 2.494 -7.920 1.00 0.00 C ATOM 1028 C ILE A 67 5.030 1.337 -7.483 1.00 0.00 C ATOM 1029 O ILE A 67 6.018 1.027 -8.154 1.00 0.00 O ATOM 1030 CB ILE A 67 3.128 1.983 -9.003 1.00 0.00 C ATOM 1031 CG1 ILE A 67 2.431 3.059 -9.878 1.00 0.00 C ATOM 1032 CG2 ILE A 67 2.076 1.075 -8.340 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.290 3.846 -9.221 1.00 0.00 C ATOM 0 H ILE A 67 5.284 3.461 -9.354 1.00 0.00 H new ATOM 0 HA ILE A 67 3.544 2.848 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 67 3.752 1.439 -9.713 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.187 3.770 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.038 2.571 -10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.380 0.712 -9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.573 0.228 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.530 1.642 -7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.886 4.565 -9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.502 3.158 -8.915 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.669 4.375 -8.347 1.00 0.00 H new ATOM 1045 N VAL A 68 4.661 0.651 -6.399 1.00 0.00 N ATOM 1046 CA VAL A 68 5.271 -0.589 -5.890 1.00 0.00 C ATOM 1047 C VAL A 68 4.185 -1.644 -5.675 1.00 0.00 C ATOM 1048 O VAL A 68 3.235 -1.443 -4.915 1.00 0.00 O ATOM 1049 CB VAL A 68 6.055 -0.340 -4.586 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.634 -1.632 -3.992 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.231 0.612 -4.838 1.00 0.00 C ATOM 0 H VAL A 68 3.883 0.960 -5.816 1.00 0.00 H new ATOM 0 HA VAL A 68 5.983 -0.952 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 68 5.340 0.090 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.176 -1.400 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.823 -2.325 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.315 -2.090 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.773 0.776 -3.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.903 0.173 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.855 1.564 -5.211 1.00 0.00 H new ATOM 1061 N ASP A 69 4.326 -2.775 -6.361 1.00 0.00 N ATOM 1062 CA ASP A 69 3.485 -3.966 -6.193 1.00 0.00 C ATOM 1063 C ASP A 69 3.840 -4.703 -4.886 1.00 0.00 C ATOM 1064 O ASP A 69 4.839 -5.424 -4.809 1.00 0.00 O ATOM 1065 CB ASP A 69 3.626 -4.888 -7.413 1.00 0.00 C ATOM 1066 CG ASP A 69 3.117 -4.209 -8.691 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.883 -4.142 -8.900 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.941 -3.716 -9.497 1.00 0.00 O ATOM 0 H ASP A 69 5.048 -2.896 -7.071 1.00 0.00 H new ATOM 0 HA ASP A 69 2.443 -3.655 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.672 -5.168 -7.540 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.068 -5.808 -7.241 1.00 0.00 H new ATOM 1073 N GLU A 70 3.046 -4.497 -3.834 1.00 0.00 N ATOM 1074 CA GLU A 70 3.184 -5.209 -2.559 1.00 0.00 C ATOM 1075 C GLU A 70 2.737 -6.673 -2.678 1.00 0.00 C ATOM 1076 O GLU A 70 1.719 -6.982 -3.305 1.00 0.00 O ATOM 1077 CB GLU A 70 2.354 -4.536 -1.454 1.00 0.00 C ATOM 1078 CG GLU A 70 3.007 -3.277 -0.878 1.00 0.00 C ATOM 1079 CD GLU A 70 2.278 -2.855 0.413 1.00 0.00 C ATOM 1080 OE1 GLU A 70 2.425 -3.557 1.447 1.00 0.00 O ATOM 1081 OE2 GLU A 70 1.553 -1.836 0.396 1.00 0.00 O ATOM 0 H GLU A 70 2.280 -3.824 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 70 4.242 -5.174 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.374 -4.276 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.190 -5.251 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.060 -3.466 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.969 -2.469 -1.609 1.00 0.00 H new ATOM 1088 N LYS A 71 3.451 -7.572 -1.992 1.00 0.00 N ATOM 1089 CA LYS A 71 3.001 -8.950 -1.758 1.00 0.00 C ATOM 1090 C LYS A 71 1.721 -8.967 -0.912 1.00 0.00 C ATOM 1091 O LYS A 71 1.467 -8.038 -0.141 1.00 0.00 O ATOM 1092 CB LYS A 71 4.117 -9.768 -1.077 1.00 0.00 C ATOM 1093 CG LYS A 71 5.470 -9.783 -1.815 1.00 0.00 C ATOM 1094 CD LYS A 71 5.382 -10.322 -3.254 1.00 0.00 C ATOM 1095 CE LYS A 71 6.744 -10.331 -3.963 1.00 0.00 C ATOM 1096 NZ LYS A 71 7.678 -11.342 -3.399 1.00 0.00 N ATOM 0 H LYS A 71 4.361 -7.364 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 71 2.775 -9.408 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.274 -9.372 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.773 -10.796 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.872 -8.770 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.175 -10.393 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.979 -11.335 -3.235 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.683 -9.711 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.595 -10.532 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.196 -9.342 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.569 -11.329 -3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.871 -11.118 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.248 -12.287 -3.465 1.00 0.00 H new ATOM 1110 N VAL A 72 0.949 -10.048 -1.009 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.274 -10.279 -0.220 1.00 0.00 C ATOM 1112 C VAL A 72 -0.198 -11.592 0.564 1.00 0.00 C ATOM 1113 O VAL A 72 0.516 -12.520 0.182 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.546 -10.232 -1.092 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -1.773 -8.839 -1.690 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.524 -11.244 -2.241 1.00 0.00 C ATOM 0 H VAL A 72 1.157 -10.811 -1.653 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.341 -9.461 0.498 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.360 -10.488 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.678 -8.847 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.882 -8.111 -0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.921 -8.567 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.446 -11.161 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.672 -11.040 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.439 -12.252 -1.836 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.945 -11.682 1.664 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.974 -12.849 2.558 1.00 0.00 C ATOM 1128 C GLU A 73 -2.364 -12.990 3.199 1.00 0.00 C ATOM 1129 O GLU A 73 -2.991 -11.985 3.543 1.00 0.00 O ATOM 1130 CB GLU A 73 0.099 -12.656 3.647 1.00 0.00 C ATOM 1131 CG GLU A 73 0.527 -13.941 4.363 1.00 0.00 C ATOM 1132 CD GLU A 73 1.648 -14.679 3.602 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.832 -14.281 3.729 1.00 0.00 O ATOM 1134 OE2 GLU A 73 1.356 -15.671 2.894 1.00 0.00 O ATOM 0 H GLU A 73 -1.563 -10.930 1.969 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.767 -13.757 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.979 -12.199 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.279 -11.952 4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.870 -13.699 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.334 -14.601 4.470 1.00 0.00 H new ATOM 1141 N LEU A 74 -2.836 -14.222 3.398 1.00 0.00 N ATOM 1142 CA LEU A 74 -4.104 -14.568 4.041 1.00 0.00 C ATOM 1143 C LEU A 74 -3.887 -15.429 5.296 1.00 0.00 C ATOM 1144 O LEU A 74 -3.474 -16.586 5.203 1.00 0.00 O ATOM 1145 CB LEU A 74 -5.051 -15.278 3.053 1.00 0.00 C ATOM 1146 CG LEU A 74 -5.811 -14.329 2.107 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -5.031 -14.045 0.829 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -7.158 -14.926 1.705 1.00 0.00 C ATOM 0 H LEU A 74 -2.317 -15.048 3.099 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.572 -13.635 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.471 -15.981 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.775 -15.863 3.620 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.951 -13.400 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.606 -13.372 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.078 -13.580 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.850 -14.979 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.676 -14.238 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.997 -15.875 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.763 -15.091 2.596 1.00 0.00 H new ATOM 1160 N GLU A 75 -4.165 -14.870 6.475 1.00 0.00 N ATOM 1161 CA GLU A 75 -4.284 -15.619 7.732 1.00 0.00 C ATOM 1162 C GLU A 75 -5.643 -16.327 7.878 1.00 0.00 C ATOM 1163 O GLU A 75 -6.660 -15.883 7.336 1.00 0.00 O ATOM 1164 CB GLU A 75 -4.014 -14.698 8.940 1.00 0.00 C ATOM 1165 CG GLU A 75 -5.139 -13.705 9.271 1.00 0.00 C ATOM 1166 CD GLU A 75 -4.758 -12.779 10.444 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -4.562 -13.268 11.584 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -4.659 -11.545 10.238 1.00 0.00 O ATOM 0 H GLU A 75 -4.317 -13.868 6.588 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.526 -16.402 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.831 -15.320 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.099 -14.136 8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.363 -13.103 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.047 -14.254 9.521 1.00 0.00 H new ATOM 1175 N CYS A 76 -5.671 -17.398 8.670 1.00 0.00 N ATOM 1176 CA CYS A 76 -6.900 -18.014 9.163 1.00 0.00 C ATOM 1177 C CYS A 76 -7.474 -17.249 10.381 1.00 0.00 C ATOM 1178 O CYS A 76 -6.757 -16.548 11.103 1.00 0.00 O ATOM 1179 CB CYS A 76 -6.559 -19.457 9.535 1.00 0.00 C ATOM 1180 SG CYS A 76 -8.041 -20.514 9.546 1.00 0.00 S ATOM 0 H CYS A 76 -4.826 -17.869 8.992 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.671 -17.983 8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.833 -19.854 8.826 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.089 -19.479 10.518 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.777 -21.638 8.949 1.00 0.00 H new ATOM 1185 N LYS A 77 -8.774 -17.431 10.632 1.00 0.00 N ATOM 1186 CA LYS A 77 -9.544 -16.862 11.760 1.00 0.00 C ATOM 1187 C LYS A 77 -9.089 -17.354 13.141 1.00 0.00 C ATOM 1188 O LYS A 77 -8.643 -16.558 13.967 1.00 0.00 O ATOM 1189 CB LYS A 77 -11.048 -17.146 11.563 1.00 0.00 C ATOM 1190 CG LYS A 77 -11.709 -16.228 10.523 1.00 0.00 C ATOM 1191 CD LYS A 77 -11.913 -14.779 10.997 1.00 0.00 C ATOM 1192 CE LYS A 77 -12.892 -14.604 12.170 1.00 0.00 C ATOM 1193 NZ LYS A 77 -14.295 -14.931 11.798 1.00 0.00 N ATOM 0 H LYS A 77 -9.356 -18.009 10.025 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.354 -15.789 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.177 -18.184 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.561 -17.030 12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.097 -16.220 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.677 -16.648 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.946 -14.370 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.270 -14.185 10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.581 -15.243 12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.845 -13.575 12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.913 -14.797 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.605 -14.305 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.349 -15.921 11.483 1.00 0.00 H new ATOM 1207 N ASP A 78 -9.259 -18.650 13.409 1.00 0.00 N ATOM 1208 CA ASP A 78 -9.115 -19.282 14.734 1.00 0.00 C ATOM 1209 C ASP A 78 -8.146 -20.480 14.673 1.00 0.00 C ATOM 1210 O ASP A 78 -8.508 -21.634 14.922 1.00 0.00 O ATOM 1211 CB ASP A 78 -10.512 -19.630 15.277 1.00 0.00 C ATOM 1212 CG ASP A 78 -10.481 -20.177 16.718 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -9.696 -19.665 17.553 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -11.282 -21.089 17.038 1.00 0.00 O ATOM 0 H ASP A 78 -9.511 -19.321 12.683 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.660 -18.588 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.140 -18.739 15.246 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.975 -20.369 14.624 1.00 0.00 H new ATOM 1219 N CYS A 79 -6.911 -20.175 14.267 1.00 0.00 N ATOM 1220 CA CYS A 79 -5.879 -21.106 13.804 1.00 0.00 C ATOM 1221 C CYS A 79 -4.470 -20.655 14.258 1.00 0.00 C ATOM 1222 O CYS A 79 -4.323 -19.893 15.219 1.00 0.00 O ATOM 1223 CB CYS A 79 -6.017 -21.143 12.275 1.00 0.00 C ATOM 1224 SG CYS A 79 -6.053 -22.808 11.559 1.00 0.00 S ATOM 0 H CYS A 79 -6.584 -19.209 14.252 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.007 -22.101 14.230 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.932 -20.621 11.993 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.187 -20.591 11.835 1.00 0.00 H new ATOM 0 HG CYS A 79 -7.211 -23.018 11.006 1.00 0.00 H new ATOM 1229 N SER A 80 -3.431 -21.120 13.557 1.00 0.00 N ATOM 1230 CA SER A 80 -2.028 -20.723 13.775 1.00 0.00 C ATOM 1231 C SER A 80 -1.201 -20.723 12.470 1.00 0.00 C ATOM 1232 O SER A 80 -0.019 -21.080 12.454 1.00 0.00 O ATOM 1233 CB SER A 80 -1.409 -21.611 14.867 1.00 0.00 C ATOM 1234 OG SER A 80 -0.315 -20.961 15.499 1.00 0.00 O ATOM 0 H SER A 80 -3.540 -21.799 12.804 1.00 0.00 H new ATOM 0 HA SER A 80 -2.011 -19.689 14.120 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.167 -21.859 15.610 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.073 -22.551 14.428 1.00 0.00 H new ATOM 0 HG SER A 80 0.059 -21.547 16.190 1.00 0.00 H new ATOM 1240 N HIS A 81 -1.837 -20.387 11.339 1.00 0.00 N ATOM 1241 CA HIS A 81 -1.253 -20.491 9.995 1.00 0.00 C ATOM 1242 C HIS A 81 -1.730 -19.375 9.040 1.00 0.00 C ATOM 1243 O HIS A 81 -2.861 -18.888 9.150 1.00 0.00 O ATOM 1244 CB HIS A 81 -1.606 -21.887 9.452 1.00 0.00 C ATOM 1245 CG HIS A 81 -1.091 -22.129 8.061 1.00 0.00 C ATOM 1246 ND1 HIS A 81 0.222 -22.350 7.705 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -1.837 -22.075 6.917 1.00 0.00 C ATOM 1248 CE1 HIS A 81 0.270 -22.423 6.365 1.00 0.00 C ATOM 1249 NE2 HIS A 81 -0.959 -22.259 5.846 1.00 0.00 N ATOM 0 H HIS A 81 -2.792 -20.028 11.333 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.173 -20.360 10.060 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.197 -22.644 10.121 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.689 -22.009 9.458 1.00 0.00 H new ATOM 0 HD1 HIS A 81 1.013 -22.441 8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.904 -21.919 6.853 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.167 -22.590 5.787 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.875 -19.001 8.076 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.156 -18.073 6.970 1.00 0.00 C ATOM 1259 C VAL A 82 -0.541 -18.584 5.651 1.00 0.00 C ATOM 1260 O VAL A 82 0.504 -19.239 5.671 1.00 0.00 O ATOM 1261 CB VAL A 82 -0.680 -16.631 7.293 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -0.849 -16.214 8.765 1.00 0.00 C ATOM 1263 CG2 VAL A 82 0.781 -16.329 6.947 1.00 0.00 C ATOM 0 H VAL A 82 0.081 -19.356 8.045 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.238 -18.033 6.843 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.346 -16.060 6.646 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.491 -15.193 8.897 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.903 -16.267 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.274 -16.886 9.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.012 -15.297 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.433 -17.001 7.505 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.939 -16.474 5.878 1.00 0.00 H new ATOM 1273 N PHE A 83 -1.147 -18.259 4.505 1.00 0.00 N ATOM 1274 CA PHE A 83 -0.667 -18.615 3.154 1.00 0.00 C ATOM 1275 C PHE A 83 -1.014 -17.540 2.102 1.00 0.00 C ATOM 1276 O PHE A 83 -1.736 -16.586 2.396 1.00 0.00 O ATOM 1277 CB PHE A 83 -1.223 -19.996 2.755 1.00 0.00 C ATOM 1278 CG PHE A 83 -2.737 -20.067 2.659 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -3.394 -19.631 1.493 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -3.496 -20.550 3.738 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -4.795 -19.659 1.408 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -4.898 -20.552 3.666 1.00 0.00 C ATOM 1283 CZ PHE A 83 -5.551 -20.119 2.498 1.00 0.00 C ATOM 0 H PHE A 83 -2.015 -17.723 4.485 1.00 0.00 H new ATOM 0 HA PHE A 83 0.421 -18.664 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.798 -20.279 1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.884 -20.733 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.815 -19.271 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.001 -20.920 4.623 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.290 -19.328 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.479 -20.888 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.629 -20.140 2.440 1.00 0.00 H new ATOM 1293 N LYS A 84 -0.544 -17.698 0.854 1.00 0.00 N ATOM 1294 CA LYS A 84 -0.752 -16.734 -0.249 1.00 0.00 C ATOM 1295 C LYS A 84 -1.861 -17.175 -1.225 1.00 0.00 C ATOM 1296 O LYS A 84 -1.981 -18.371 -1.503 1.00 0.00 O ATOM 1297 CB LYS A 84 0.592 -16.416 -0.938 1.00 0.00 C ATOM 1298 CG LYS A 84 1.261 -17.552 -1.719 1.00 0.00 C ATOM 1299 CD LYS A 84 0.903 -17.506 -3.214 1.00 0.00 C ATOM 1300 CE LYS A 84 1.616 -18.628 -3.964 1.00 0.00 C ATOM 1301 NZ LYS A 84 3.061 -18.344 -4.191 1.00 0.00 N ATOM 0 H LYS A 84 0.002 -18.513 0.574 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.124 -15.802 0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.433 -15.583 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.291 -16.073 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.343 -17.485 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.954 -18.511 -1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.175 -17.603 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.187 -16.541 -3.634 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.517 -19.556 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.126 -18.785 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.495 -19.138 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.160 -17.474 -4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.539 -18.221 -3.275 1.00 0.00 H new ATOM 1315 N PRO A 85 -2.668 -16.243 -1.770 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.808 -16.554 -2.635 1.00 0.00 C ATOM 1317 C PRO A 85 -3.367 -17.070 -4.016 1.00 0.00 C ATOM 1318 O PRO A 85 -2.696 -16.359 -4.771 1.00 0.00 O ATOM 1319 CB PRO A 85 -4.620 -15.256 -2.733 1.00 0.00 C ATOM 1320 CG PRO A 85 -3.590 -14.156 -2.479 1.00 0.00 C ATOM 1321 CD PRO A 85 -2.568 -14.807 -1.550 1.00 0.00 C ATOM 0 HA PRO A 85 -4.408 -17.364 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.085 -15.149 -3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.422 -15.230 -1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.128 -13.821 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.047 -13.281 -2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.562 -14.450 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.775 -14.558 -0.509 1.00 0.00 H new ATOM 1329 N ASN A 86 -3.750 -18.308 -4.349 1.00 0.00 N ATOM 1330 CA ASN A 86 -3.461 -18.968 -5.629 1.00 0.00 C ATOM 1331 C ASN A 86 -4.649 -19.819 -6.135 1.00 0.00 C ATOM 1332 O ASN A 86 -5.185 -19.543 -7.209 1.00 0.00 O ATOM 1333 CB ASN A 86 -2.165 -19.787 -5.477 1.00 0.00 C ATOM 1334 CG ASN A 86 -1.799 -20.522 -6.756 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -2.093 -21.695 -6.935 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -1.160 -19.859 -7.695 1.00 0.00 N ATOM 0 H ASN A 86 -4.288 -18.898 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.313 -18.211 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.348 -19.123 -5.195 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.285 -20.507 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.912 -20.324 -8.568 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.913 -18.880 -7.550 1.00 0.00 H new ATOM 1405 N GLY A 91 -9.176 -23.455 -1.960 1.00 0.00 N ATOM 1406 CA GLY A 91 -8.825 -22.267 -1.163 1.00 0.00 C ATOM 1407 C GLY A 91 -9.013 -22.410 0.359 1.00 0.00 C ATOM 1408 O GLY A 91 -8.942 -21.412 1.078 1.00 0.00 O ATOM 0 HA2 GLY A 91 -7.783 -22.013 -1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.429 -21.428 -1.509 1.00 0.00 H new ATOM 1412 N VAL A 92 -9.265 -23.627 0.861 1.00 0.00 N ATOM 1413 CA VAL A 92 -9.324 -23.940 2.302 1.00 0.00 C ATOM 1414 C VAL A 92 -7.974 -23.726 3.007 1.00 0.00 C ATOM 1415 O VAL A 92 -6.916 -23.754 2.370 1.00 0.00 O ATOM 1416 CB VAL A 92 -9.825 -25.376 2.564 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -11.305 -25.538 2.204 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -9.032 -26.448 1.807 1.00 0.00 C ATOM 0 H VAL A 92 -9.437 -24.439 0.268 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.043 -23.238 2.724 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.677 -25.525 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.618 -26.563 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.903 -24.853 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.449 -25.314 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.439 -27.433 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.107 -26.267 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -7.985 -26.408 2.109 1.00 0.00 H new ATOM 1428 N CYS A 93 -8.007 -23.545 4.330 1.00 0.00 N ATOM 1429 CA CYS A 93 -6.821 -23.471 5.182 1.00 0.00 C ATOM 1430 C CYS A 93 -6.075 -24.824 5.236 1.00 0.00 C ATOM 1431 O CYS A 93 -6.657 -25.905 5.082 1.00 0.00 O ATOM 1432 CB CYS A 93 -7.252 -22.851 6.531 1.00 0.00 C ATOM 1433 SG CYS A 93 -6.127 -23.164 7.935 1.00 0.00 S ATOM 0 H CYS A 93 -8.880 -23.444 4.848 1.00 0.00 H new ATOM 0 HA CYS A 93 -6.056 -22.810 4.773 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -7.351 -21.773 6.401 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -8.240 -23.233 6.787 1.00 0.00 H new ATOM 0 HG CYS A 93 -5.857 -22.042 8.533 1.00 0.00 H new ATOM 1438 N GLU A 94 -4.746 -24.759 5.370 1.00 0.00 N ATOM 1439 CA GLU A 94 -3.865 -25.933 5.347 1.00 0.00 C ATOM 1440 C GLU A 94 -4.105 -26.853 6.552 1.00 0.00 C ATOM 1441 O GLU A 94 -4.158 -28.078 6.411 1.00 0.00 O ATOM 1442 CB GLU A 94 -2.391 -25.509 5.344 1.00 0.00 C ATOM 1443 CG GLU A 94 -1.941 -24.876 4.024 1.00 0.00 C ATOM 1444 CD GLU A 94 -1.844 -25.916 2.889 1.00 0.00 C ATOM 1445 OE1 GLU A 94 -0.814 -26.628 2.798 1.00 0.00 O ATOM 1446 OE2 GLU A 94 -2.792 -26.028 2.074 1.00 0.00 O ATOM 0 H GLU A 94 -4.245 -23.880 5.499 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.099 -26.479 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.224 -24.799 6.154 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.770 -26.381 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.644 -24.093 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.971 -24.399 4.163 1.00 0.00 H new ATOM 1453 N LYS A 95 -4.244 -26.250 7.740 1.00 0.00 N ATOM 1454 CA LYS A 95 -4.573 -26.942 8.996 1.00 0.00 C ATOM 1455 C LYS A 95 -6.036 -27.384 9.051 1.00 0.00 C ATOM 1456 O LYS A 95 -6.311 -28.565 9.284 1.00 0.00 O ATOM 1457 CB LYS A 95 -4.278 -26.046 10.203 1.00 0.00 C ATOM 1458 CG LYS A 95 -2.788 -25.734 10.373 1.00 0.00 C ATOM 1459 CD LYS A 95 -2.542 -25.047 11.722 1.00 0.00 C ATOM 1460 CE LYS A 95 -2.646 -26.053 12.882 1.00 0.00 C ATOM 1461 NZ LYS A 95 -2.393 -25.421 14.202 1.00 0.00 N ATOM 0 H LYS A 95 -4.128 -25.244 7.859 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.945 -27.832 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.828 -25.111 10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.646 -26.532 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.207 -26.654 10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.449 -25.090 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.555 -24.585 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.268 -24.247 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.639 -26.503 12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.930 -26.860 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.474 -26.138 14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.436 -25.014 14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.091 -24.668 14.366 1.00 0.00 H new ATOM 1475 N CYS A 96 -6.955 -26.431 8.882 1.00 0.00 N ATOM 1476 CA CYS A 96 -8.401 -26.607 9.040 1.00 0.00 C ATOM 1477 C CYS A 96 -9.152 -26.426 7.700 1.00 0.00 C ATOM 1478 O CYS A 96 -8.985 -25.434 6.996 1.00 0.00 O ATOM 1479 CB CYS A 96 -8.895 -25.750 10.228 1.00 0.00 C ATOM 1480 SG CYS A 96 -9.077 -23.984 9.908 1.00 0.00 S ATOM 0 H CYS A 96 -6.703 -25.478 8.621 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.638 -27.637 9.308 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.858 -26.141 10.556 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -8.199 -25.879 11.057 1.00 0.00 H new ATOM 0 HG CYS A 96 -8.091 -23.574 9.166 1.00 0.00 H new ATOM 1485 N HIS A 97 -9.935 -27.427 7.283 1.00 0.00 N ATOM 1486 CA HIS A 97 -10.499 -27.494 5.924 1.00 0.00 C ATOM 1487 C HIS A 97 -11.742 -26.593 5.724 1.00 0.00 C ATOM 1488 O HIS A 97 -12.830 -27.061 5.374 1.00 0.00 O ATOM 1489 CB HIS A 97 -10.762 -28.955 5.532 1.00 0.00 C ATOM 1490 CG HIS A 97 -9.586 -29.880 5.739 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -9.595 -31.043 6.480 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -8.325 -29.723 5.227 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -8.365 -31.582 6.418 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -7.557 -30.813 5.663 1.00 0.00 N ATOM 0 H HIS A 97 -10.197 -28.215 7.875 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.752 -27.085 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.607 -29.327 6.111 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -11.055 -28.989 4.483 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.985 -28.910 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.068 -32.500 6.904 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -6.575 -30.989 5.449 1.00 0.00 H new ATOM 1502 N SER A 98 -11.566 -25.285 5.920 1.00 0.00 N ATOM 1503 CA SER A 98 -12.573 -24.225 5.782 1.00 0.00 C ATOM 1504 C SER A 98 -11.987 -23.010 5.055 1.00 0.00 C ATOM 1505 O SER A 98 -10.777 -22.777 5.082 1.00 0.00 O ATOM 1506 CB SER A 98 -13.084 -23.810 7.169 1.00 0.00 C ATOM 1507 OG SER A 98 -13.861 -24.851 7.746 1.00 0.00 O ATOM 0 H SER A 98 -10.658 -24.911 6.197 1.00 0.00 H new ATOM 0 HA SER A 98 -13.404 -24.611 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.241 -23.575 7.818 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.684 -22.904 7.086 1.00 0.00 H new ATOM 0 HG SER A 98 -14.178 -24.571 8.630 1.00 0.00 H new ATOM 1513 N LYS A 99 -12.847 -22.227 4.390 1.00 0.00 N ATOM 1514 CA LYS A 99 -12.480 -21.105 3.493 1.00 0.00 C ATOM 1515 C LYS A 99 -12.542 -19.723 4.173 1.00 0.00 C ATOM 1516 O LYS A 99 -12.538 -18.689 3.507 1.00 0.00 O ATOM 1517 CB LYS A 99 -13.349 -21.156 2.219 1.00 0.00 C ATOM 1518 CG LYS A 99 -13.297 -22.522 1.511 1.00 0.00 C ATOM 1519 CD LYS A 99 -13.989 -22.489 0.142 1.00 0.00 C ATOM 1520 CE LYS A 99 -14.093 -23.912 -0.425 1.00 0.00 C ATOM 1521 NZ LYS A 99 -14.462 -23.893 -1.865 1.00 0.00 N ATOM 0 H LYS A 99 -13.856 -22.356 4.459 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.433 -21.236 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -14.382 -20.928 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.017 -20.382 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.258 -22.825 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.774 -23.274 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.983 -22.053 0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.427 -21.855 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.141 -24.427 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.838 -24.476 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.525 -24.868 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.382 -23.422 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.738 -23.375 -2.402 1.00 0.00 H new ATOM 1535 N ASN A 100 -12.622 -19.703 5.504 1.00 0.00 N ATOM 1536 CA ASN A 100 -12.840 -18.536 6.375 1.00 0.00 C ATOM 1537 C ASN A 100 -11.698 -17.490 6.422 1.00 0.00 C ATOM 1538 O ASN A 100 -11.803 -16.512 7.161 1.00 0.00 O ATOM 1539 CB ASN A 100 -13.136 -19.073 7.790 1.00 0.00 C ATOM 1540 CG ASN A 100 -11.965 -19.838 8.390 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -11.956 -21.058 8.423 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -10.937 -19.154 8.839 1.00 0.00 N ATOM 0 H ASN A 100 -12.530 -20.562 6.046 1.00 0.00 H new ATOM 0 HA ASN A 100 -13.672 -17.977 5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -13.392 -18.239 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -14.008 -19.726 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -10.126 -19.642 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.950 -18.135 8.809 1.00 0.00 H new ATOM 1549 N VAL A 101 -10.581 -17.719 5.729 1.00 0.00 N ATOM 1550 CA VAL A 101 -9.366 -16.885 5.748 1.00 0.00 C ATOM 1551 C VAL A 101 -9.613 -15.414 5.370 1.00 0.00 C ATOM 1552 O VAL A 101 -10.504 -15.100 4.576 1.00 0.00 O ATOM 1553 CB VAL A 101 -8.286 -17.486 4.826 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -7.763 -18.814 5.378 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -8.762 -17.736 3.386 1.00 0.00 C ATOM 0 H VAL A 101 -10.489 -18.525 5.110 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.022 -16.885 6.782 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.499 -16.732 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.003 -19.213 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.327 -18.652 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.586 -19.524 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.945 -18.159 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.600 -18.433 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.078 -16.794 2.939 1.00 0.00 H new ATOM 1565 N ILE A 102 -8.783 -14.511 5.904 1.00 0.00 N ATOM 1566 CA ILE A 102 -8.796 -13.062 5.625 1.00 0.00 C ATOM 1567 C ILE A 102 -7.404 -12.521 5.268 1.00 0.00 C ATOM 1568 O ILE A 102 -6.384 -13.057 5.698 1.00 0.00 O ATOM 1569 CB ILE A 102 -9.402 -12.252 6.796 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -8.612 -12.338 8.125 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -10.898 -12.564 6.974 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -8.887 -13.553 9.027 1.00 0.00 C ATOM 0 H ILE A 102 -8.055 -14.774 6.568 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.437 -12.932 4.753 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.308 -11.206 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.548 -12.327 7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.819 -11.436 8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -11.295 -11.980 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -11.434 -12.308 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -11.026 -13.626 7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.269 -13.489 9.922 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.939 -13.564 9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.648 -14.469 8.486 1.00 0.00 H new ATOM 1584 N ILE A 103 -7.355 -11.430 4.499 1.00 0.00 N ATOM 1585 CA ILE A 103 -6.127 -10.793 4.016 1.00 0.00 C ATOM 1586 C ILE A 103 -5.477 -10.039 5.184 1.00 0.00 C ATOM 1587 O ILE A 103 -6.053 -9.086 5.713 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.399 -9.870 2.802 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.983 -10.566 1.546 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -5.068 -9.241 2.354 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.423 -11.088 1.652 1.00 0.00 C ATOM 0 H ILE A 103 -8.198 -10.949 4.185 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.437 -11.556 3.657 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.143 -9.157 3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.937 -9.862 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.335 -11.405 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.244 -8.588 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.646 -8.660 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.370 -10.029 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.712 -11.552 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.485 -11.825 2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.096 -10.258 1.869 1.00 0.00 H new ATOM 1603 N THR A 104 -4.281 -10.467 5.588 1.00 0.00 N ATOM 1604 CA THR A 104 -3.519 -9.903 6.716 1.00 0.00 C ATOM 1605 C THR A 104 -2.454 -8.883 6.263 1.00 0.00 C ATOM 1606 O THR A 104 -1.839 -8.194 7.079 1.00 0.00 O ATOM 1607 CB THR A 104 -2.925 -11.054 7.551 1.00 0.00 C ATOM 1608 OG1 THR A 104 -2.524 -10.617 8.828 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.746 -11.782 6.906 1.00 0.00 C ATOM 0 H THR A 104 -3.796 -11.238 5.130 1.00 0.00 H new ATOM 0 HA THR A 104 -4.200 -9.332 7.347 1.00 0.00 H new ATOM 0 HB THR A 104 -3.747 -11.766 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.142 -10.968 9.503 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.399 -12.573 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.062 -12.217 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.935 -11.076 6.729 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.238 -8.764 4.946 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.199 -7.952 4.305 1.00 0.00 C ATOM 1619 C GLN A 105 -1.631 -7.637 2.869 1.00 0.00 C ATOM 1620 O GLN A 105 -1.972 -8.542 2.108 1.00 0.00 O ATOM 1621 CB GLN A 105 0.136 -8.724 4.356 1.00 0.00 C ATOM 1622 CG GLN A 105 1.206 -8.319 3.328 1.00 0.00 C ATOM 1623 CD GLN A 105 1.544 -6.823 3.287 1.00 0.00 C ATOM 1624 OE1 GLN A 105 1.579 -6.129 4.296 1.00 0.00 O ATOM 1625 NE2 GLN A 105 1.773 -6.273 2.114 1.00 0.00 N ATOM 0 H GLN A 105 -2.814 -9.258 4.265 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.059 -7.005 4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.560 -8.606 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.079 -9.785 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.119 -8.875 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.869 -8.626 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.746 -6.844 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.978 -5.276 2.050 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.624 -6.353 2.506 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.984 -5.867 1.170 1.00 0.00 C ATOM 1636 C GLY A 106 -3.493 -5.815 0.895 1.00 0.00 C ATOM 1637 O GLY A 106 -3.906 -5.754 -0.261 1.00 0.00 O ATOM 0 H GLY A 106 -1.362 -5.604 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.569 -4.868 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.514 -6.509 0.425 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.317 -5.840 1.950 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.785 -5.754 1.892 1.00 0.00 C ATOM 1643 C ASN A 107 -6.283 -4.422 1.287 1.00 0.00 C ATOM 1644 O ASN A 107 -7.318 -4.372 0.620 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.310 -5.946 3.329 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.788 -6.292 3.423 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.484 -6.563 2.454 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.306 -6.330 4.627 1.00 0.00 N ATOM 0 H ASN A 107 -3.968 -5.924 2.905 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.168 -6.530 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.734 -6.737 3.809 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.128 -5.031 3.893 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.286 -6.585 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.729 -6.105 5.438 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.526 -3.344 1.498 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.739 -2.009 0.931 1.00 0.00 C ATOM 1657 C GLU A 108 -4.402 -1.339 0.562 1.00 0.00 C ATOM 1658 O GLU A 108 -3.351 -1.681 1.111 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.558 -1.154 1.917 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.900 -0.943 3.291 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.807 -0.102 4.210 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -7.680 -0.680 4.904 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -6.653 1.143 4.254 1.00 0.00 O ATOM 0 H GLU A 108 -4.704 -3.379 2.101 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.306 -2.102 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.742 -0.179 1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.530 -1.625 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.700 -1.909 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.939 -0.444 3.166 1.00 0.00 H new ATOM 1670 N MET A 109 -4.438 -0.377 -0.364 1.00 0.00 N ATOM 1671 CA MET A 109 -3.267 0.423 -0.748 1.00 0.00 C ATOM 1672 C MET A 109 -2.978 1.555 0.253 1.00 0.00 C ATOM 1673 O MET A 109 -3.902 2.118 0.848 1.00 0.00 O ATOM 1674 CB MET A 109 -3.450 0.993 -2.165 1.00 0.00 C ATOM 1675 CG MET A 109 -4.682 1.895 -2.330 1.00 0.00 C ATOM 1676 SD MET A 109 -4.755 2.788 -3.905 1.00 0.00 S ATOM 1677 CE MET A 109 -3.480 4.035 -3.583 1.00 0.00 C ATOM 0 H MET A 109 -5.286 -0.128 -0.873 1.00 0.00 H new ATOM 0 HA MET A 109 -2.404 -0.243 -0.737 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.560 1.562 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.523 0.165 -2.870 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.579 1.284 -2.231 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.698 2.619 -1.515 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.560 4.835 -4.319 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.618 4.446 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.495 3.574 -3.653 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.700 1.931 0.390 1.00 0.00 N ATOM 1688 CA ARG A 110 -1.202 3.102 1.143 1.00 0.00 C ATOM 1689 C ARG A 110 0.096 3.628 0.520 1.00 0.00 C ATOM 1690 O ARG A 110 0.750 2.920 -0.242 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.926 2.737 2.620 1.00 0.00 C ATOM 1692 CG ARG A 110 -2.163 2.295 3.418 1.00 0.00 C ATOM 1693 CD ARG A 110 -1.887 2.197 4.925 1.00 0.00 C ATOM 1694 NE ARG A 110 -1.786 3.531 5.557 1.00 0.00 N ATOM 1695 CZ ARG A 110 -0.711 4.159 6.001 1.00 0.00 C ATOM 1696 NH1 ARG A 110 0.486 3.652 5.906 1.00 0.00 N ATOM 1697 NH2 ARG A 110 -0.820 5.333 6.553 1.00 0.00 N ATOM 0 H ARG A 110 -0.942 1.403 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.974 3.870 1.099 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.187 1.936 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.481 3.600 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.974 3.002 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.501 1.326 3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.684 1.628 5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.960 1.647 5.089 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.666 4.035 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.620 2.737 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.289 4.170 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.737 5.771 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.011 5.815 6.895 1.00 0.00 H new ATOM 1711 N LEU A 111 0.526 4.835 0.883 1.00 0.00 N ATOM 1712 CA LEU A 111 1.910 5.276 0.653 1.00 0.00 C ATOM 1713 C LEU A 111 2.950 4.372 1.356 1.00 0.00 C ATOM 1714 O LEU A 111 2.645 3.714 2.355 1.00 0.00 O ATOM 1715 CB LEU A 111 2.083 6.758 1.037 1.00 0.00 C ATOM 1716 CG LEU A 111 2.198 7.078 2.544 1.00 0.00 C ATOM 1717 CD1 LEU A 111 2.640 8.528 2.688 1.00 0.00 C ATOM 1718 CD2 LEU A 111 0.891 6.893 3.316 1.00 0.00 C ATOM 0 H LEU A 111 -0.063 5.531 1.340 1.00 0.00 H new ATOM 0 HA LEU A 111 2.104 5.180 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.977 7.136 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.236 7.314 0.635 1.00 0.00 H new ATOM 0 HG LEU A 111 2.917 6.376 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.728 8.778 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.606 8.664 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.903 9.181 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.051 7.136 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.128 7.553 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.561 5.858 3.230 1.00 0.00 H new ATOM 1730 N LEU A 112 4.195 4.405 0.873 1.00 0.00 N ATOM 1731 CA LEU A 112 5.364 3.726 1.455 1.00 0.00 C ATOM 1732 C LEU A 112 6.448 4.735 1.864 1.00 0.00 C ATOM 1733 O LEU A 112 6.886 4.738 3.016 1.00 0.00 O ATOM 1734 CB LEU A 112 5.931 2.696 0.458 1.00 0.00 C ATOM 1735 CG LEU A 112 5.005 1.507 0.150 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.636 0.657 -0.954 1.00 0.00 C ATOM 1737 CD2 LEU A 112 4.769 0.609 1.366 1.00 0.00 C ATOM 0 H LEU A 112 4.430 4.927 0.029 1.00 0.00 H new ATOM 0 HA LEU A 112 5.040 3.204 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.163 3.207 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.871 2.311 0.853 1.00 0.00 H new ATOM 0 HG LEU A 112 4.044 1.920 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.986 -0.189 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.766 1.263 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.607 0.290 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.109 -0.213 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.721 0.208 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.309 1.191 2.164 1.00 0.00 H new ATOM 1749 N SER A 113 6.868 5.597 0.934 1.00 0.00 N ATOM 1750 CA SER A 113 7.857 6.663 1.157 1.00 0.00 C ATOM 1751 C SER A 113 7.605 7.876 0.255 1.00 0.00 C ATOM 1752 O SER A 113 6.879 7.792 -0.739 1.00 0.00 O ATOM 1753 CB SER A 113 9.280 6.121 0.950 1.00 0.00 C ATOM 1754 OG SER A 113 9.483 5.611 -0.356 1.00 0.00 O ATOM 0 H SER A 113 6.521 5.574 -0.025 1.00 0.00 H new ATOM 0 HA SER A 113 7.752 7.000 2.188 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.000 6.917 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.475 5.334 1.678 1.00 0.00 H new ATOM 0 HG SER A 113 10.402 5.280 -0.439 1.00 0.00 H new ATOM 1760 N LEU A 114 8.191 9.027 0.603 1.00 0.00 N ATOM 1761 CA LEU A 114 8.142 10.268 -0.183 1.00 0.00 C ATOM 1762 C LEU A 114 9.510 10.970 -0.149 1.00 0.00 C ATOM 1763 O LEU A 114 10.302 10.757 0.773 1.00 0.00 O ATOM 1764 CB LEU A 114 7.006 11.223 0.272 1.00 0.00 C ATOM 1765 CG LEU A 114 5.756 10.586 0.933 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.919 10.568 2.459 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.452 11.312 0.604 1.00 0.00 C ATOM 0 H LEU A 114 8.729 9.125 1.464 1.00 0.00 H new ATOM 0 HA LEU A 114 7.911 9.993 -1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.430 11.939 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.674 11.790 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 114 5.688 9.577 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.036 10.119 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 114 6.801 9.984 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.036 11.588 2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.621 10.811 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.513 12.344 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.291 11.300 -0.474 1.00 0.00 H new ATOM 1779 N GLU A 115 9.788 11.814 -1.139 1.00 0.00 N ATOM 1780 CA GLU A 115 11.071 12.501 -1.325 1.00 0.00 C ATOM 1781 C GLU A 115 10.874 13.954 -1.774 1.00 0.00 C ATOM 1782 O GLU A 115 9.992 14.264 -2.581 1.00 0.00 O ATOM 1783 CB GLU A 115 11.921 11.767 -2.380 1.00 0.00 C ATOM 1784 CG GLU A 115 12.351 10.337 -2.006 1.00 0.00 C ATOM 1785 CD GLU A 115 13.287 10.250 -0.778 1.00 0.00 C ATOM 1786 OE1 GLU A 115 13.932 11.258 -0.399 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.424 9.139 -0.208 1.00 0.00 O ATOM 0 H GLU A 115 9.106 12.049 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 115 11.582 12.498 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.357 11.726 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.816 12.358 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.459 9.742 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.853 9.886 -2.862 1.00 0.00 H new ATOM 1794 N MET A 116 11.752 14.839 -1.308 1.00 0.00 N ATOM 1795 CA MET A 116 11.818 16.260 -1.664 1.00 0.00 C ATOM 1796 C MET A 116 13.217 16.642 -2.161 1.00 0.00 C ATOM 1797 O MET A 116 14.180 15.884 -2.009 1.00 0.00 O ATOM 1798 CB MET A 116 11.406 17.152 -0.477 1.00 0.00 C ATOM 1799 CG MET A 116 10.197 16.680 0.348 1.00 0.00 C ATOM 1800 SD MET A 116 10.649 15.644 1.774 1.00 0.00 S ATOM 1801 CE MET A 116 9.073 15.624 2.667 1.00 0.00 C ATOM 0 H MET A 116 12.474 14.574 -0.638 1.00 0.00 H new ATOM 0 HA MET A 116 11.110 16.426 -2.476 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.261 17.245 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.190 18.150 -0.859 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.647 17.552 0.702 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.523 16.119 -0.299 1.00 0.00 H new ATOM 0 HE1 MET A 116 9.238 15.282 3.689 1.00 0.00 H new ATOM 0 HE2 MET A 116 8.652 16.629 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.379 14.949 2.166 1.00 0.00 H new ATOM 1811 N LEU A 117 13.328 17.839 -2.738 1.00 0.00 N ATOM 1812 CA LEU A 117 14.573 18.403 -3.272 1.00 0.00 C ATOM 1813 C LEU A 117 14.901 19.793 -2.694 1.00 0.00 C ATOM 1814 O LEU A 117 14.043 20.455 -2.102 1.00 0.00 O ATOM 1815 CB LEU A 117 14.538 18.331 -4.815 1.00 0.00 C ATOM 1816 CG LEU A 117 13.333 18.963 -5.548 1.00 0.00 C ATOM 1817 CD1 LEU A 117 13.292 20.490 -5.466 1.00 0.00 C ATOM 1818 CD2 LEU A 117 13.396 18.588 -7.029 1.00 0.00 C ATOM 0 H LEU A 117 12.530 18.464 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 117 15.417 17.799 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.444 18.807 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.588 17.280 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 117 12.442 18.577 -5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.419 20.860 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.232 20.797 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.196 20.903 -5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.549 19.031 -7.553 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.325 18.962 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.360 17.503 -7.132 1.00 0.00 H new