USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ -147:sc= 1.27 (180deg=0.172) USER MOD Single : A 10 SER OG : rot -150:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -23:sc= 0.101 USER MOD Single : A 15 THR OG1 : rot 155:sc= 0.014 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 2.09 (180deg=1.73) USER MOD Single : A 31 TYR OH : rot 165:sc= 0.859 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 1.12 (180deg=0.356) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 0.304 (180deg=0.0507) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0505 F(o=-0.66,f=-0.05) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0.143 (180deg=0.143) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.562 F(o=-2.1,f=-0.56) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.855) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0.461 (180deg=0.396) USER MOD Single : A 71 LYS NZ :NH3+ -178:sc= 0.565 (180deg=0.541) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -148:sc= 0.541 (180deg=0.132) USER MOD Single : A 78 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.84) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 66:sc= 0.351 USER MOD Single : A 89 GLN : amide:sc= 0.0996 X(o=0.1,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -119:sc= 0.76 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.129 X(o=0.13,f=-0.015) USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= -0.0553 (180deg=-1.38!) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 1.747 10.884 -8.622 1.00 75.45 N ATOM 39 CA LYS A 4 2.245 10.092 -7.496 1.00 41.22 C ATOM 40 C LYS A 4 1.304 8.922 -7.211 1.00 74.23 C ATOM 41 O LYS A 4 0.119 8.974 -7.540 1.00 54.40 O ATOM 42 CB LYS A 4 2.408 11.011 -6.250 1.00 35.21 C ATOM 43 CG LYS A 4 2.841 10.319 -4.923 1.00 74.41 C ATOM 44 CD LYS A 4 3.611 11.275 -3.980 1.00 1.22 C ATOM 45 CE LYS A 4 2.908 12.628 -3.776 1.00 60.23 C ATOM 46 NZ LYS A 4 3.752 13.567 -3.018 1.00 42.53 N ATOM 0 HA LYS A 4 3.220 9.673 -7.745 1.00 41.22 H new ATOM 0 HB2 LYS A 4 3.143 11.780 -6.488 1.00 35.21 H new ATOM 0 HB3 LYS A 4 1.460 11.519 -6.075 1.00 35.21 H new ATOM 0 HG2 LYS A 4 1.957 9.941 -4.409 1.00 74.41 H new ATOM 0 HG3 LYS A 4 3.468 9.458 -5.154 1.00 74.41 H new ATOM 0 HD2 LYS A 4 3.741 10.792 -3.012 1.00 1.22 H new ATOM 0 HD3 LYS A 4 4.608 11.449 -4.386 1.00 1.22 H new ATOM 0 HE2 LYS A 4 2.661 13.061 -4.746 1.00 60.23 H new ATOM 0 HE3 LYS A 4 1.968 12.474 -3.247 1.00 60.23 H new ATOM 0 HZ1 LYS A 4 3.150 14.180 -2.432 1.00 42.53 H new ATOM 0 HZ2 LYS A 4 4.402 13.033 -2.406 1.00 42.53 H new ATOM 0 HZ3 LYS A 4 4.302 14.152 -3.680 1.00 42.53 H new ATOM 60 N ILE A 5 1.873 7.851 -6.658 1.00 1.45 N ATOM 61 CA ILE A 5 1.148 6.723 -6.068 1.00 1.12 C ATOM 62 C ILE A 5 1.842 6.364 -4.758 1.00 31.24 C ATOM 63 O ILE A 5 3.027 6.675 -4.556 1.00 20.14 O ATOM 64 CB ILE A 5 1.102 5.447 -6.996 1.00 74.13 C ATOM 65 CG1 ILE A 5 2.548 4.962 -7.332 1.00 54.34 C ATOM 66 CG2 ILE A 5 0.269 5.717 -8.269 1.00 4.04 C ATOM 67 CD1 ILE A 5 2.632 3.686 -8.133 1.00 34.01 C ATOM 0 H ILE A 5 2.886 7.740 -6.606 1.00 1.45 H new ATOM 0 HA ILE A 5 0.113 7.031 -5.920 1.00 1.12 H new ATOM 0 HB ILE A 5 0.604 4.642 -6.456 1.00 74.13 H new ATOM 0 HG12 ILE A 5 3.059 5.751 -7.883 1.00 54.34 H new ATOM 0 HG13 ILE A 5 3.092 4.821 -6.398 1.00 54.34 H new ATOM 0 HG21 ILE A 5 0.254 4.822 -8.891 1.00 4.04 H new ATOM 0 HG22 ILE A 5 -0.750 5.981 -7.988 1.00 4.04 H new ATOM 0 HG23 ILE A 5 0.715 6.539 -8.828 1.00 4.04 H new ATOM 0 HD11 ILE A 5 3.678 3.437 -8.312 1.00 34.01 H new ATOM 0 HD12 ILE A 5 2.156 2.877 -7.579 1.00 34.01 H new ATOM 0 HD13 ILE A 5 2.123 3.821 -9.087 1.00 34.01 H new ATOM 79 N ILE A 6 1.100 5.722 -3.869 1.00 52.15 N ATOM 80 CA ILE A 6 1.618 5.232 -2.594 1.00 14.30 C ATOM 81 C ILE A 6 1.424 3.715 -2.526 1.00 72.31 C ATOM 82 O ILE A 6 0.375 3.202 -2.920 1.00 33.41 O ATOM 83 CB ILE A 6 0.903 5.925 -1.381 1.00 73.11 C ATOM 84 CG1 ILE A 6 1.069 7.485 -1.428 1.00 74.25 C ATOM 85 CG2 ILE A 6 1.410 5.355 -0.043 1.00 34.03 C ATOM 86 CD1 ILE A 6 2.495 8.003 -1.339 1.00 65.44 C ATOM 0 H ILE A 6 0.110 5.523 -4.011 1.00 52.15 H new ATOM 0 HA ILE A 6 2.679 5.474 -2.531 1.00 14.30 H new ATOM 0 HB ILE A 6 -0.162 5.707 -1.460 1.00 73.11 H new ATOM 0 HG12 ILE A 6 0.627 7.850 -2.355 1.00 74.25 H new ATOM 0 HG13 ILE A 6 0.494 7.917 -0.609 1.00 74.25 H new ATOM 0 HG21 ILE A 6 0.899 5.852 0.781 1.00 34.03 H new ATOM 0 HG22 ILE A 6 1.207 4.285 -0.003 1.00 34.03 H new ATOM 0 HG23 ILE A 6 2.484 5.524 0.041 1.00 34.03 H new ATOM 0 HD11 ILE A 6 2.490 9.092 -1.381 1.00 65.44 H new ATOM 0 HD12 ILE A 6 2.942 7.678 -0.399 1.00 65.44 H new ATOM 0 HD13 ILE A 6 3.077 7.611 -2.173 1.00 65.44 H new ATOM 98 N VAL A 7 2.454 3.017 -2.036 1.00 43.04 N ATOM 99 CA VAL A 7 2.436 1.568 -1.819 1.00 23.50 C ATOM 100 C VAL A 7 2.578 1.308 -0.310 1.00 51.13 C ATOM 101 O VAL A 7 3.613 1.624 0.276 1.00 43.13 O ATOM 102 CB VAL A 7 3.574 0.841 -2.611 1.00 54.11 C ATOM 103 CG1 VAL A 7 3.506 -0.684 -2.380 1.00 12.44 C ATOM 104 CG2 VAL A 7 3.520 1.184 -4.124 1.00 61.03 C ATOM 0 H VAL A 7 3.339 3.452 -1.775 1.00 43.04 H new ATOM 0 HA VAL A 7 1.494 1.165 -2.190 1.00 23.50 H new ATOM 0 HB VAL A 7 4.531 1.200 -2.232 1.00 54.11 H new ATOM 0 HG11 VAL A 7 4.305 -1.173 -2.938 1.00 12.44 H new ATOM 0 HG12 VAL A 7 3.624 -0.897 -1.317 1.00 12.44 H new ATOM 0 HG13 VAL A 7 2.542 -1.061 -2.721 1.00 12.44 H new ATOM 0 HG21 VAL A 7 4.324 0.663 -4.644 1.00 61.03 H new ATOM 0 HG22 VAL A 7 2.560 0.871 -4.534 1.00 61.03 H new ATOM 0 HG23 VAL A 7 3.639 2.259 -4.258 1.00 61.03 H new ATOM 114 N ILE A 8 1.527 0.738 0.311 1.00 72.45 N ATOM 115 CA ILE A 8 1.434 0.583 1.768 1.00 55.44 C ATOM 116 C ILE A 8 1.547 -0.898 2.170 1.00 43.52 C ATOM 117 O ILE A 8 0.717 -1.725 1.810 1.00 12.11 O ATOM 118 CB ILE A 8 0.109 1.220 2.330 1.00 50.14 C ATOM 119 CG1 ILE A 8 0.087 2.761 2.049 1.00 52.22 C ATOM 120 CG2 ILE A 8 -0.068 0.916 3.837 1.00 31.30 C ATOM 121 CD1 ILE A 8 -1.077 3.533 2.645 1.00 22.45 C ATOM 0 H ILE A 8 0.717 0.372 -0.190 1.00 72.45 H new ATOM 0 HA ILE A 8 2.272 1.120 2.212 1.00 55.44 H new ATOM 0 HB ILE A 8 -0.736 0.767 1.812 1.00 50.14 H new ATOM 0 HG12 ILE A 8 1.014 3.192 2.427 1.00 52.22 H new ATOM 0 HG13 ILE A 8 0.082 2.913 0.970 1.00 52.22 H new ATOM 0 HG21 ILE A 8 -0.992 1.370 4.194 1.00 31.30 H new ATOM 0 HG22 ILE A 8 -0.112 -0.163 3.988 1.00 31.30 H new ATOM 0 HG23 ILE A 8 0.775 1.326 4.392 1.00 31.30 H new ATOM 0 HD11 ILE A 8 -0.986 4.588 2.385 1.00 22.45 H new ATOM 0 HD12 ILE A 8 -2.014 3.141 2.249 1.00 22.45 H new ATOM 0 HD13 ILE A 8 -1.068 3.425 3.730 1.00 22.45 H new ATOM 133 N ILE A 9 2.570 -1.170 2.979 1.00 13.24 N ATOM 134 CA ILE A 9 2.910 -2.500 3.487 1.00 70.13 C ATOM 135 C ILE A 9 2.168 -2.667 4.826 1.00 51.54 C ATOM 136 O ILE A 9 2.623 -2.179 5.873 1.00 24.13 O ATOM 137 CB ILE A 9 4.478 -2.689 3.669 1.00 65.23 C ATOM 138 CG1 ILE A 9 5.248 -2.621 2.290 1.00 62.12 C ATOM 139 CG2 ILE A 9 4.804 -4.014 4.418 1.00 74.15 C ATOM 140 CD1 ILE A 9 5.366 -1.248 1.636 1.00 14.13 C ATOM 0 H ILE A 9 3.207 -0.446 3.311 1.00 13.24 H new ATOM 0 HA ILE A 9 2.605 -3.264 2.772 1.00 70.13 H new ATOM 0 HB ILE A 9 4.828 -1.857 4.280 1.00 65.23 H new ATOM 0 HG12 ILE A 9 6.254 -3.012 2.443 1.00 62.12 H new ATOM 0 HG13 ILE A 9 4.749 -3.290 1.589 1.00 62.12 H new ATOM 0 HG21 ILE A 9 5.884 -4.114 4.527 1.00 74.15 H new ATOM 0 HG22 ILE A 9 4.340 -3.998 5.404 1.00 74.15 H new ATOM 0 HG23 ILE A 9 4.417 -4.859 3.848 1.00 74.15 H new ATOM 0 HD11 ILE A 9 5.915 -1.338 0.698 1.00 14.13 H new ATOM 0 HD12 ILE A 9 4.370 -0.853 1.437 1.00 14.13 H new ATOM 0 HD13 ILE A 9 5.898 -0.571 2.304 1.00 14.13 H new ATOM 152 N SER A 10 0.992 -3.304 4.768 1.00 25.41 N ATOM 153 CA SER A 10 0.063 -3.390 5.903 1.00 20.43 C ATOM 154 C SER A 10 0.360 -4.638 6.762 1.00 42.50 C ATOM 155 O SER A 10 0.136 -5.777 6.331 1.00 2.35 O ATOM 156 CB SER A 10 -1.388 -3.414 5.374 1.00 54.30 C ATOM 157 OG SER A 10 -2.324 -3.526 6.429 1.00 64.42 O ATOM 0 H SER A 10 0.656 -3.777 3.929 1.00 25.41 H new ATOM 0 HA SER A 10 0.194 -2.516 6.541 1.00 20.43 H new ATOM 0 HB2 SER A 10 -1.585 -2.504 4.807 1.00 54.30 H new ATOM 0 HB3 SER A 10 -1.512 -4.251 4.686 1.00 54.30 H new ATOM 0 HG SER A 10 -3.121 -3.999 6.111 1.00 64.42 H new ATOM 163 N SER A 11 0.928 -4.395 7.954 1.00 10.32 N ATOM 164 CA SER A 11 1.113 -5.404 9.009 1.00 11.50 C ATOM 165 C SER A 11 0.833 -4.765 10.385 1.00 65.51 C ATOM 166 O SER A 11 1.039 -3.554 10.550 1.00 74.33 O ATOM 167 CB SER A 11 2.542 -5.995 8.940 1.00 42.44 C ATOM 168 OG SER A 11 3.523 -4.979 8.858 1.00 53.25 O ATOM 0 H SER A 11 1.278 -3.474 8.216 1.00 10.32 H new ATOM 0 HA SER A 11 0.410 -6.224 8.860 1.00 11.50 H new ATOM 0 HB2 SER A 11 2.726 -6.608 9.822 1.00 42.44 H new ATOM 0 HB3 SER A 11 2.624 -6.651 8.073 1.00 42.44 H new ATOM 0 HG SER A 11 4.413 -5.386 8.818 1.00 53.25 H new ATOM 174 N ASP A 12 0.363 -5.606 11.339 1.00 41.31 N ATOM 175 CA ASP A 12 0.040 -5.235 12.744 1.00 1.10 C ATOM 176 C ASP A 12 -1.179 -4.292 12.823 1.00 31.04 C ATOM 177 O ASP A 12 -2.287 -4.721 13.175 1.00 42.11 O ATOM 178 CB ASP A 12 1.261 -4.625 13.508 1.00 52.13 C ATOM 179 CG ASP A 12 2.407 -5.625 13.722 1.00 73.35 C ATOM 180 OD1 ASP A 12 2.324 -6.448 14.659 1.00 1.12 O ATOM 181 OD2 ASP A 12 3.397 -5.598 12.956 1.00 34.54 O ATOM 0 H ASP A 12 0.192 -6.593 11.148 1.00 41.31 H new ATOM 0 HA ASP A 12 -0.218 -6.168 13.246 1.00 1.10 H new ATOM 0 HB2 ASP A 12 1.637 -3.767 12.951 1.00 52.13 H new ATOM 0 HB3 ASP A 12 0.926 -4.255 14.477 1.00 52.13 H new ATOM 186 N ASP A 13 -0.965 -3.005 12.488 1.00 43.34 N ATOM 187 CA ASP A 13 -2.010 -1.972 12.564 1.00 12.32 C ATOM 188 C ASP A 13 -2.874 -1.984 11.305 1.00 33.31 C ATOM 189 O ASP A 13 -2.354 -2.007 10.184 1.00 43.41 O ATOM 190 CB ASP A 13 -1.392 -0.565 12.756 1.00 31.32 C ATOM 191 CG ASP A 13 -0.578 -0.443 14.048 1.00 11.22 C ATOM 192 OD1 ASP A 13 -1.189 -0.476 15.140 1.00 42.41 O ATOM 193 OD2 ASP A 13 0.668 -0.334 13.990 1.00 1.23 O ATOM 0 H ASP A 13 -0.065 -2.655 12.158 1.00 43.34 H new ATOM 0 HA ASP A 13 -2.634 -2.200 13.428 1.00 12.32 H new ATOM 0 HB2 ASP A 13 -0.750 -0.336 11.905 1.00 31.32 H new ATOM 0 HB3 ASP A 13 -2.189 0.179 12.763 1.00 31.32 H new ATOM 198 N THR A 14 -4.202 -1.969 11.504 1.00 45.44 N ATOM 199 CA THR A 14 -5.177 -1.751 10.420 1.00 12.21 C ATOM 200 C THR A 14 -5.228 -0.246 10.051 1.00 4.02 C ATOM 201 O THR A 14 -5.804 0.127 9.030 1.00 70.10 O ATOM 202 CB THR A 14 -6.606 -2.288 10.817 1.00 13.11 C ATOM 203 OG1 THR A 14 -7.512 -2.229 9.695 1.00 33.33 O ATOM 204 CG2 THR A 14 -7.225 -1.519 12.000 1.00 11.53 C ATOM 0 H THR A 14 -4.631 -2.107 12.419 1.00 45.44 H new ATOM 0 HA THR A 14 -4.853 -2.314 9.545 1.00 12.21 H new ATOM 0 HB THR A 14 -6.461 -3.324 11.124 1.00 13.11 H new ATOM 0 HG1 THR A 14 -7.199 -1.554 9.057 1.00 33.33 H new ATOM 0 HG21 THR A 14 -8.207 -1.932 12.228 1.00 11.53 H new ATOM 0 HG22 THR A 14 -6.580 -1.614 12.873 1.00 11.53 H new ATOM 0 HG23 THR A 14 -7.327 -0.466 11.736 1.00 11.53 H new ATOM 212 N THR A 15 -4.597 0.605 10.905 1.00 33.23 N ATOM 213 CA THR A 15 -4.474 2.065 10.701 1.00 65.00 C ATOM 214 C THR A 15 -3.902 2.418 9.311 1.00 15.44 C ATOM 215 O THR A 15 -4.308 3.406 8.716 1.00 61.00 O ATOM 216 CB THR A 15 -3.564 2.710 11.796 1.00 3.50 C ATOM 217 OG1 THR A 15 -3.908 2.185 13.087 1.00 55.23 O ATOM 218 CG2 THR A 15 -3.685 4.253 11.833 1.00 33.44 C ATOM 0 H THR A 15 -4.154 0.285 11.767 1.00 33.23 H new ATOM 0 HA THR A 15 -5.485 2.467 10.773 1.00 65.00 H new ATOM 0 HB THR A 15 -2.534 2.460 11.541 1.00 3.50 H new ATOM 0 HG1 THR A 15 -3.133 2.248 13.683 1.00 55.23 H new ATOM 0 HG21 THR A 15 -3.033 4.651 12.611 1.00 33.44 H new ATOM 0 HG22 THR A 15 -3.391 4.664 10.867 1.00 33.44 H new ATOM 0 HG23 THR A 15 -4.717 4.532 12.047 1.00 33.44 H new ATOM 226 N LEU A 16 -2.973 1.582 8.802 1.00 44.10 N ATOM 227 CA LEU A 16 -2.335 1.792 7.482 1.00 42.13 C ATOM 228 C LEU A 16 -3.365 1.623 6.346 1.00 33.41 C ATOM 229 O LEU A 16 -3.311 2.326 5.330 1.00 34.51 O ATOM 230 CB LEU A 16 -1.139 0.826 7.260 1.00 11.51 C ATOM 231 CG LEU A 16 0.133 1.071 8.145 1.00 73.15 C ATOM 232 CD1 LEU A 16 -0.046 0.530 9.574 1.00 72.35 C ATOM 233 CD2 LEU A 16 1.407 0.501 7.483 1.00 15.31 C ATOM 0 H LEU A 16 -2.645 0.748 9.289 1.00 44.10 H new ATOM 0 HA LEU A 16 -1.951 2.812 7.468 1.00 42.13 H new ATOM 0 HB2 LEU A 16 -1.486 -0.192 7.436 1.00 11.51 H new ATOM 0 HB3 LEU A 16 -0.842 0.885 6.213 1.00 11.51 H new ATOM 0 HG LEU A 16 0.259 2.151 8.224 1.00 73.15 H new ATOM 0 HD11 LEU A 16 0.859 0.721 10.151 1.00 72.35 H new ATOM 0 HD12 LEU A 16 -0.891 1.028 10.048 1.00 72.35 H new ATOM 0 HD13 LEU A 16 -0.232 -0.543 9.536 1.00 72.35 H new ATOM 0 HD21 LEU A 16 2.267 0.690 8.126 1.00 15.31 H new ATOM 0 HD22 LEU A 16 1.292 -0.573 7.337 1.00 15.31 H new ATOM 0 HD23 LEU A 16 1.562 0.983 6.518 1.00 15.31 H new ATOM 245 N GLU A 17 -4.299 0.676 6.551 1.00 54.21 N ATOM 246 CA GLU A 17 -5.405 0.399 5.621 1.00 41.24 C ATOM 247 C GLU A 17 -6.395 1.578 5.613 1.00 45.34 C ATOM 248 O GLU A 17 -6.914 1.959 4.559 1.00 21.33 O ATOM 249 CB GLU A 17 -6.141 -0.891 6.063 1.00 53.54 C ATOM 250 CG GLU A 17 -5.237 -2.134 6.217 1.00 10.40 C ATOM 251 CD GLU A 17 -5.967 -3.361 6.799 1.00 52.34 C ATOM 252 OE1 GLU A 17 -7.114 -3.633 6.390 1.00 41.14 O ATOM 253 OE2 GLU A 17 -5.404 -4.054 7.678 1.00 11.43 O ATOM 0 H GLU A 17 -4.305 0.076 7.376 1.00 54.21 H new ATOM 0 HA GLU A 17 -5.002 0.265 4.617 1.00 41.24 H new ATOM 0 HB2 GLU A 17 -6.638 -0.701 7.014 1.00 53.54 H new ATOM 0 HB3 GLU A 17 -6.921 -1.115 5.335 1.00 53.54 H new ATOM 0 HG2 GLU A 17 -4.825 -2.396 5.243 1.00 10.40 H new ATOM 0 HG3 GLU A 17 -4.395 -1.883 6.862 1.00 10.40 H new ATOM 260 N GLU A 18 -6.640 2.140 6.822 1.00 62.02 N ATOM 261 CA GLU A 18 -7.604 3.237 7.029 1.00 64.23 C ATOM 262 C GLU A 18 -7.088 4.548 6.408 1.00 54.20 C ATOM 263 O GLU A 18 -7.800 5.191 5.630 1.00 53.05 O ATOM 264 CB GLU A 18 -7.902 3.437 8.542 1.00 33.35 C ATOM 265 CG GLU A 18 -8.293 2.156 9.314 1.00 33.32 C ATOM 266 CD GLU A 18 -9.414 1.333 8.642 1.00 42.14 C ATOM 267 OE1 GLU A 18 -10.596 1.744 8.707 1.00 1.34 O ATOM 268 OE2 GLU A 18 -9.120 0.269 8.043 1.00 32.35 O ATOM 0 H GLU A 18 -6.172 1.842 7.678 1.00 62.02 H new ATOM 0 HA GLU A 18 -8.533 2.962 6.529 1.00 64.23 H new ATOM 0 HB2 GLU A 18 -7.021 3.871 9.015 1.00 33.35 H new ATOM 0 HB3 GLU A 18 -8.709 4.163 8.644 1.00 33.35 H new ATOM 0 HG2 GLU A 18 -7.410 1.526 9.423 1.00 33.32 H new ATOM 0 HG3 GLU A 18 -8.613 2.433 10.319 1.00 33.32 H new ATOM 275 N LEU A 19 -5.827 4.907 6.749 1.00 13.13 N ATOM 276 CA LEU A 19 -5.143 6.124 6.256 1.00 10.21 C ATOM 277 C LEU A 19 -5.103 6.145 4.720 1.00 72.44 C ATOM 278 O LEU A 19 -5.328 7.196 4.114 1.00 41.24 O ATOM 279 CB LEU A 19 -3.694 6.223 6.838 1.00 52.11 C ATOM 280 CG LEU A 19 -3.590 6.509 8.375 1.00 41.12 C ATOM 281 CD1 LEU A 19 -2.146 6.349 8.893 1.00 62.43 C ATOM 282 CD2 LEU A 19 -4.147 7.906 8.729 1.00 63.20 C ATOM 0 H LEU A 19 -5.251 4.352 7.382 1.00 13.13 H new ATOM 0 HA LEU A 19 -5.712 6.989 6.598 1.00 10.21 H new ATOM 0 HB2 LEU A 19 -3.174 5.289 6.626 1.00 52.11 H new ATOM 0 HB3 LEU A 19 -3.163 7.011 6.305 1.00 52.11 H new ATOM 0 HG LEU A 19 -4.205 5.763 8.878 1.00 41.12 H new ATOM 0 HD11 LEU A 19 -2.118 6.556 9.963 1.00 62.43 H new ATOM 0 HD12 LEU A 19 -1.805 5.330 8.712 1.00 62.43 H new ATOM 0 HD13 LEU A 19 -1.493 7.048 8.371 1.00 62.43 H new ATOM 0 HD21 LEU A 19 -4.059 8.071 9.803 1.00 63.20 H new ATOM 0 HD22 LEU A 19 -3.580 8.669 8.197 1.00 63.20 H new ATOM 0 HD23 LEU A 19 -5.196 7.964 8.437 1.00 63.20 H new ATOM 294 N ALA A 20 -4.859 4.948 4.125 1.00 54.13 N ATOM 295 CA ALA A 20 -4.745 4.725 2.662 1.00 3.54 C ATOM 296 C ALA A 20 -5.899 5.359 1.859 1.00 73.01 C ATOM 297 O ALA A 20 -5.705 5.787 0.713 1.00 2.32 O ATOM 298 CB ALA A 20 -4.678 3.213 2.378 1.00 11.14 C ATOM 0 H ALA A 20 -4.733 4.091 4.664 1.00 54.13 H new ATOM 0 HA ALA A 20 -3.830 5.217 2.333 1.00 3.54 H new ATOM 0 HB1 ALA A 20 -4.594 3.048 1.304 1.00 11.14 H new ATOM 0 HB2 ALA A 20 -3.809 2.787 2.879 1.00 11.14 H new ATOM 0 HB3 ALA A 20 -5.583 2.733 2.749 1.00 11.14 H new ATOM 304 N ARG A 21 -7.096 5.389 2.477 1.00 24.13 N ATOM 305 CA ARG A 21 -8.302 5.999 1.905 1.00 51.21 C ATOM 306 C ARG A 21 -8.114 7.519 1.710 1.00 62.34 C ATOM 307 O ARG A 21 -8.396 8.040 0.626 1.00 34.34 O ATOM 308 CB ARG A 21 -9.527 5.705 2.814 1.00 55.40 C ATOM 309 CG ARG A 21 -10.845 6.370 2.365 1.00 32.42 C ATOM 310 CD ARG A 21 -11.299 5.917 0.965 1.00 41.13 C ATOM 311 NE ARG A 21 -12.436 6.711 0.478 1.00 73.53 N ATOM 312 CZ ARG A 21 -13.084 6.513 -0.676 1.00 74.23 C ATOM 313 NH1 ARG A 21 -12.742 5.519 -1.487 1.00 45.23 N ATOM 314 NH2 ARG A 21 -14.070 7.327 -1.021 1.00 60.11 N ATOM 0 H ARG A 21 -7.249 4.983 3.400 1.00 24.13 H new ATOM 0 HA ARG A 21 -8.481 5.560 0.924 1.00 51.21 H new ATOM 0 HB2 ARG A 21 -9.678 4.626 2.858 1.00 55.40 H new ATOM 0 HB3 ARG A 21 -9.297 6.036 3.827 1.00 55.40 H new ATOM 0 HG2 ARG A 21 -11.627 6.138 3.088 1.00 32.42 H new ATOM 0 HG3 ARG A 21 -10.719 7.453 2.368 1.00 32.42 H new ATOM 0 HD2 ARG A 21 -10.467 6.006 0.266 1.00 41.13 H new ATOM 0 HD3 ARG A 21 -11.578 4.864 0.996 1.00 41.13 H new ATOM 0 HE ARG A 21 -12.758 7.477 1.069 1.00 73.53 H new ATOM 0 HH11 ARG A 21 -11.976 4.894 -1.234 1.00 45.23 H new ATOM 0 HH12 ARG A 21 -13.245 5.380 -2.364 1.00 45.23 H new ATOM 0 HH21 ARG A 21 -14.332 8.100 -0.408 1.00 60.11 H new ATOM 0 HH22 ARG A 21 -14.568 7.181 -1.899 1.00 60.11 H new ATOM 328 N LYS A 22 -7.641 8.220 2.761 1.00 13.51 N ATOM 329 CA LYS A 22 -7.437 9.686 2.712 1.00 24.44 C ATOM 330 C LYS A 22 -6.272 10.078 1.807 1.00 14.24 C ATOM 331 O LYS A 22 -6.249 11.206 1.303 1.00 31.32 O ATOM 332 CB LYS A 22 -7.266 10.299 4.133 1.00 61.00 C ATOM 333 CG LYS A 22 -8.573 10.305 4.961 1.00 50.12 C ATOM 334 CD LYS A 22 -9.748 11.025 4.227 1.00 60.00 C ATOM 335 CE LYS A 22 -11.089 10.892 4.961 1.00 52.23 C ATOM 336 NZ LYS A 22 -12.208 11.453 4.166 1.00 63.51 N ATOM 0 H LYS A 22 -7.393 7.796 3.655 1.00 13.51 H new ATOM 0 HA LYS A 22 -8.344 10.105 2.277 1.00 24.44 H new ATOM 0 HB2 LYS A 22 -6.505 9.737 4.674 1.00 61.00 H new ATOM 0 HB3 LYS A 22 -6.900 11.321 4.038 1.00 61.00 H new ATOM 0 HG2 LYS A 22 -8.863 9.278 5.182 1.00 50.12 H new ATOM 0 HG3 LYS A 22 -8.391 10.797 5.916 1.00 50.12 H new ATOM 0 HD2 LYS A 22 -9.505 12.082 4.115 1.00 60.00 H new ATOM 0 HD3 LYS A 22 -9.848 10.613 3.223 1.00 60.00 H new ATOM 0 HE2 LYS A 22 -11.285 9.841 5.173 1.00 52.23 H new ATOM 0 HE3 LYS A 22 -11.031 11.406 5.921 1.00 52.23 H new ATOM 0 HZ1 LYS A 22 -13.097 11.345 4.694 1.00 63.51 H new ATOM 0 HZ2 LYS A 22 -12.033 12.462 3.985 1.00 63.51 H new ATOM 0 HZ3 LYS A 22 -12.279 10.946 3.261 1.00 63.51 H new ATOM 350 N ILE A 23 -5.295 9.169 1.621 1.00 23.03 N ATOM 351 CA ILE A 23 -4.253 9.361 0.604 1.00 21.53 C ATOM 352 C ILE A 23 -4.908 9.401 -0.793 1.00 31.15 C ATOM 353 O ILE A 23 -4.876 10.447 -1.440 1.00 42.05 O ATOM 354 CB ILE A 23 -3.102 8.270 0.668 1.00 75.12 C ATOM 355 CG1 ILE A 23 -2.112 8.538 1.853 1.00 3.42 C ATOM 356 CG2 ILE A 23 -2.302 8.182 -0.660 1.00 51.41 C ATOM 357 CD1 ILE A 23 -2.638 8.294 3.246 1.00 64.54 C ATOM 0 H ILE A 23 -5.209 8.305 2.157 1.00 23.03 H new ATOM 0 HA ILE A 23 -3.762 10.312 0.811 1.00 21.53 H new ATOM 0 HB ILE A 23 -3.604 7.317 0.834 1.00 75.12 H new ATOM 0 HG12 ILE A 23 -1.231 7.913 1.708 1.00 3.42 H new ATOM 0 HG13 ILE A 23 -1.781 9.575 1.791 1.00 3.42 H new ATOM 0 HG21 ILE A 23 -1.526 7.422 -0.568 1.00 51.41 H new ATOM 0 HG22 ILE A 23 -2.976 7.915 -1.474 1.00 51.41 H new ATOM 0 HG23 ILE A 23 -1.842 9.147 -0.872 1.00 51.41 H new ATOM 0 HD11 ILE A 23 -1.857 8.516 3.974 1.00 64.54 H new ATOM 0 HD12 ILE A 23 -3.498 8.939 3.428 1.00 64.54 H new ATOM 0 HD13 ILE A 23 -2.939 7.251 3.344 1.00 64.54 H new ATOM 369 N LYS A 24 -5.572 8.295 -1.213 1.00 42.21 N ATOM 370 CA LYS A 24 -6.118 8.178 -2.589 1.00 12.05 C ATOM 371 C LYS A 24 -7.252 9.179 -2.877 1.00 20.41 C ATOM 372 O LYS A 24 -7.562 9.433 -4.049 1.00 2.21 O ATOM 373 CB LYS A 24 -6.583 6.748 -2.941 1.00 21.44 C ATOM 374 CG LYS A 24 -7.702 6.130 -2.069 1.00 65.14 C ATOM 375 CD LYS A 24 -8.470 5.028 -2.834 1.00 1.34 C ATOM 376 CE LYS A 24 -7.542 3.974 -3.488 1.00 3.12 C ATOM 377 NZ LYS A 24 -8.261 3.166 -4.497 1.00 23.51 N ATOM 0 H LYS A 24 -5.741 7.479 -0.625 1.00 42.21 H new ATOM 0 HA LYS A 24 -5.275 8.426 -3.233 1.00 12.05 H new ATOM 0 HB2 LYS A 24 -6.924 6.750 -3.976 1.00 21.44 H new ATOM 0 HB3 LYS A 24 -5.715 6.090 -2.893 1.00 21.44 H new ATOM 0 HG2 LYS A 24 -7.268 5.710 -1.162 1.00 65.14 H new ATOM 0 HG3 LYS A 24 -8.396 6.911 -1.758 1.00 65.14 H new ATOM 0 HD2 LYS A 24 -9.151 4.526 -2.147 1.00 1.34 H new ATOM 0 HD3 LYS A 24 -9.083 5.492 -3.607 1.00 1.34 H new ATOM 0 HE2 LYS A 24 -6.696 4.475 -3.958 1.00 3.12 H new ATOM 0 HE3 LYS A 24 -7.136 3.318 -2.718 1.00 3.12 H new ATOM 0 HZ1 LYS A 24 -7.575 2.630 -5.065 1.00 23.51 H new ATOM 0 HZ2 LYS A 24 -8.905 2.505 -4.018 1.00 23.51 H new ATOM 0 HZ3 LYS A 24 -8.809 3.794 -5.118 1.00 23.51 H new ATOM 391 N ASP A 25 -7.868 9.713 -1.802 1.00 64.41 N ATOM 392 CA ASP A 25 -8.934 10.742 -1.873 1.00 0.34 C ATOM 393 C ASP A 25 -8.464 12.002 -2.653 1.00 51.24 C ATOM 394 O ASP A 25 -9.283 12.710 -3.253 1.00 14.13 O ATOM 395 CB ASP A 25 -9.384 11.117 -0.432 1.00 72.05 C ATOM 396 CG ASP A 25 -10.579 12.085 -0.396 1.00 13.40 C ATOM 397 OD1 ASP A 25 -11.738 11.618 -0.479 1.00 61.13 O ATOM 398 OD2 ASP A 25 -10.373 13.317 -0.281 1.00 12.12 O ATOM 0 H ASP A 25 -7.638 9.440 -0.846 1.00 64.41 H new ATOM 0 HA ASP A 25 -9.781 10.328 -2.420 1.00 0.34 H new ATOM 0 HB2 ASP A 25 -9.647 10.207 0.107 1.00 72.05 H new ATOM 0 HB3 ASP A 25 -8.544 11.569 0.097 1.00 72.05 H new ATOM 403 N GLU A 26 -7.134 12.241 -2.666 1.00 30.34 N ATOM 404 CA GLU A 26 -6.522 13.383 -3.377 1.00 23.14 C ATOM 405 C GLU A 26 -6.622 13.235 -4.919 1.00 53.22 C ATOM 406 O GLU A 26 -6.464 14.221 -5.649 1.00 53.30 O ATOM 407 CB GLU A 26 -5.039 13.542 -2.940 1.00 23.22 C ATOM 408 CG GLU A 26 -4.830 13.757 -1.424 1.00 22.34 C ATOM 409 CD GLU A 26 -5.551 14.998 -0.884 1.00 2.22 C ATOM 410 OE1 GLU A 26 -5.043 16.124 -1.085 1.00 13.40 O ATOM 411 OE2 GLU A 26 -6.640 14.861 -0.283 1.00 72.11 O ATOM 0 H GLU A 26 -6.457 11.649 -2.185 1.00 30.34 H new ATOM 0 HA GLU A 26 -7.079 14.280 -3.106 1.00 23.14 H new ATOM 0 HB2 GLU A 26 -4.487 12.653 -3.246 1.00 23.22 H new ATOM 0 HB3 GLU A 26 -4.605 14.387 -3.476 1.00 23.22 H new ATOM 0 HG2 GLU A 26 -5.184 12.877 -0.887 1.00 22.34 H new ATOM 0 HG3 GLU A 26 -3.763 13.847 -1.220 1.00 22.34 H new ATOM 418 N GLY A 27 -6.862 11.998 -5.399 1.00 43.12 N ATOM 419 CA GLY A 27 -7.088 11.723 -6.832 1.00 15.34 C ATOM 420 C GLY A 27 -6.165 10.647 -7.392 1.00 71.51 C ATOM 421 O GLY A 27 -6.407 10.126 -8.486 1.00 33.04 O ATOM 0 H GLY A 27 -6.904 11.167 -4.809 1.00 43.12 H new ATOM 0 HA2 GLY A 27 -8.124 11.415 -6.977 1.00 15.34 H new ATOM 0 HA3 GLY A 27 -6.947 12.644 -7.398 1.00 15.34 H new ATOM 425 N LEU A 28 -5.084 10.342 -6.652 1.00 23.12 N ATOM 426 CA LEU A 28 -4.106 9.275 -7.015 1.00 74.21 C ATOM 427 C LEU A 28 -4.609 7.883 -6.577 1.00 54.43 C ATOM 428 O LEU A 28 -5.558 7.776 -5.802 1.00 72.24 O ATOM 429 CB LEU A 28 -2.698 9.545 -6.381 1.00 20.55 C ATOM 430 CG LEU A 28 -2.537 9.378 -4.822 1.00 22.11 C ATOM 431 CD1 LEU A 28 -1.056 9.428 -4.386 1.00 40.13 C ATOM 432 CD2 LEU A 28 -3.342 10.431 -4.054 1.00 42.15 C ATOM 0 H LEU A 28 -4.855 10.823 -5.782 1.00 23.12 H new ATOM 0 HA LEU A 28 -4.009 9.292 -8.101 1.00 74.21 H new ATOM 0 HB2 LEU A 28 -1.983 8.878 -6.863 1.00 20.55 H new ATOM 0 HB3 LEU A 28 -2.407 10.563 -6.638 1.00 20.55 H new ATOM 0 HG LEU A 28 -2.932 8.392 -4.577 1.00 22.11 H new ATOM 0 HD11 LEU A 28 -0.991 9.309 -3.304 1.00 40.13 H new ATOM 0 HD12 LEU A 28 -0.506 8.623 -4.873 1.00 40.13 H new ATOM 0 HD13 LEU A 28 -0.625 10.387 -4.672 1.00 40.13 H new ATOM 0 HD21 LEU A 28 -3.206 10.283 -2.983 1.00 42.15 H new ATOM 0 HD22 LEU A 28 -2.995 11.427 -4.330 1.00 42.15 H new ATOM 0 HD23 LEU A 28 -4.399 10.333 -4.302 1.00 42.15 H new ATOM 444 N GLU A 29 -3.965 6.824 -7.087 1.00 44.35 N ATOM 445 CA GLU A 29 -4.262 5.419 -6.721 1.00 34.33 C ATOM 446 C GLU A 29 -3.265 4.925 -5.646 1.00 53.51 C ATOM 447 O GLU A 29 -2.113 5.375 -5.608 1.00 13.33 O ATOM 448 CB GLU A 29 -4.191 4.533 -8.006 1.00 53.32 C ATOM 449 CG GLU A 29 -4.493 3.025 -7.802 1.00 62.54 C ATOM 450 CD GLU A 29 -5.886 2.744 -7.208 1.00 43.11 C ATOM 451 OE1 GLU A 29 -6.895 2.965 -7.909 1.00 11.24 O ATOM 452 OE2 GLU A 29 -5.985 2.317 -6.033 1.00 74.00 O ATOM 0 H GLU A 29 -3.215 6.912 -7.772 1.00 44.35 H new ATOM 0 HA GLU A 29 -5.265 5.349 -6.299 1.00 34.33 H new ATOM 0 HB2 GLU A 29 -4.895 4.930 -8.738 1.00 53.32 H new ATOM 0 HB3 GLU A 29 -3.195 4.630 -8.437 1.00 53.32 H new ATOM 0 HG2 GLU A 29 -4.408 2.514 -8.761 1.00 62.54 H new ATOM 0 HG3 GLU A 29 -3.735 2.598 -7.145 1.00 62.54 H new ATOM 459 N VAL A 30 -3.730 4.005 -4.768 1.00 73.24 N ATOM 460 CA VAL A 30 -2.908 3.385 -3.703 1.00 72.01 C ATOM 461 C VAL A 30 -2.881 1.859 -3.878 1.00 64.32 C ATOM 462 O VAL A 30 -3.926 1.219 -4.047 1.00 54.51 O ATOM 463 CB VAL A 30 -3.432 3.737 -2.258 1.00 4.34 C ATOM 464 CG1 VAL A 30 -2.603 3.029 -1.150 1.00 31.12 C ATOM 465 CG2 VAL A 30 -3.415 5.256 -2.045 1.00 40.11 C ATOM 0 H VAL A 30 -4.693 3.670 -4.779 1.00 73.24 H new ATOM 0 HA VAL A 30 -1.901 3.792 -3.800 1.00 72.01 H new ATOM 0 HB VAL A 30 -4.457 3.373 -2.182 1.00 4.34 H new ATOM 0 HG11 VAL A 30 -2.998 3.300 -0.171 1.00 31.12 H new ATOM 0 HG12 VAL A 30 -2.667 1.949 -1.282 1.00 31.12 H new ATOM 0 HG13 VAL A 30 -1.561 3.341 -1.220 1.00 31.12 H new ATOM 0 HG21 VAL A 30 -3.779 5.487 -1.044 1.00 40.11 H new ATOM 0 HG22 VAL A 30 -2.396 5.628 -2.156 1.00 40.11 H new ATOM 0 HG23 VAL A 30 -4.058 5.734 -2.784 1.00 40.11 H new ATOM 475 N TYR A 31 -1.665 1.297 -3.809 1.00 44.50 N ATOM 476 CA TYR A 31 -1.415 -0.143 -3.899 1.00 72.30 C ATOM 477 C TYR A 31 -1.106 -0.628 -2.478 1.00 21.42 C ATOM 478 O TYR A 31 -0.285 -0.018 -1.805 1.00 21.55 O ATOM 479 CB TYR A 31 -0.199 -0.446 -4.831 1.00 70.10 C ATOM 480 CG TYR A 31 -0.203 0.188 -6.246 1.00 31.23 C ATOM 481 CD1 TYR A 31 -1.315 0.846 -6.788 1.00 42.34 C ATOM 482 CD2 TYR A 31 0.942 0.126 -7.044 1.00 45.12 C ATOM 483 CE1 TYR A 31 -1.278 1.411 -8.043 1.00 54.52 C ATOM 484 CE2 TYR A 31 0.977 0.692 -8.297 1.00 43.55 C ATOM 485 CZ TYR A 31 -0.133 1.336 -8.792 1.00 22.31 C ATOM 486 OH TYR A 31 -0.084 1.918 -10.039 1.00 33.12 O ATOM 0 H TYR A 31 -0.813 1.845 -3.687 1.00 44.50 H new ATOM 0 HA TYR A 31 -2.283 -0.650 -4.319 1.00 72.30 H new ATOM 0 HB2 TYR A 31 0.706 -0.119 -4.319 1.00 70.10 H new ATOM 0 HB3 TYR A 31 -0.126 -1.527 -4.948 1.00 70.10 H new ATOM 0 HD1 TYR A 31 -2.223 0.912 -6.207 1.00 42.34 H new ATOM 0 HD2 TYR A 31 1.820 -0.378 -6.668 1.00 45.12 H new ATOM 0 HE1 TYR A 31 -2.150 1.912 -8.436 1.00 54.52 H new ATOM 0 HE2 TYR A 31 1.876 0.631 -8.892 1.00 43.55 H new ATOM 0 HH TYR A 31 0.849 1.986 -10.332 1.00 33.12 H new ATOM 496 N ILE A 32 -1.769 -1.687 -2.001 1.00 42.43 N ATOM 497 CA ILE A 32 -1.551 -2.213 -0.635 1.00 14.33 C ATOM 498 C ILE A 32 -0.811 -3.558 -0.715 1.00 42.22 C ATOM 499 O ILE A 32 -1.331 -4.508 -1.284 1.00 33.11 O ATOM 500 CB ILE A 32 -2.911 -2.404 0.145 1.00 73.30 C ATOM 501 CG1 ILE A 32 -3.771 -1.093 0.155 1.00 74.23 C ATOM 502 CG2 ILE A 32 -2.672 -2.916 1.593 1.00 60.22 C ATOM 503 CD1 ILE A 32 -3.172 0.058 0.935 1.00 74.15 C ATOM 0 H ILE A 32 -2.466 -2.204 -2.538 1.00 42.43 H new ATOM 0 HA ILE A 32 -0.952 -1.485 -0.088 1.00 14.33 H new ATOM 0 HB ILE A 32 -3.476 -3.165 -0.393 1.00 73.30 H new ATOM 0 HG12 ILE A 32 -3.929 -0.772 -0.875 1.00 74.23 H new ATOM 0 HG13 ILE A 32 -4.752 -1.323 0.571 1.00 74.23 H new ATOM 0 HG21 ILE A 32 -3.630 -3.036 2.099 1.00 60.22 H new ATOM 0 HG22 ILE A 32 -2.157 -3.876 1.559 1.00 60.22 H new ATOM 0 HG23 ILE A 32 -2.061 -2.196 2.137 1.00 60.22 H new ATOM 0 HD11 ILE A 32 -3.839 0.919 0.883 1.00 74.15 H new ATOM 0 HD12 ILE A 32 -3.041 -0.237 1.976 1.00 74.15 H new ATOM 0 HD13 ILE A 32 -2.205 0.322 0.508 1.00 74.15 H new ATOM 515 N LEU A 33 0.411 -3.638 -0.172 1.00 10.53 N ATOM 516 CA LEU A 33 1.139 -4.907 -0.038 1.00 23.45 C ATOM 517 C LEU A 33 0.778 -5.548 1.294 1.00 60.13 C ATOM 518 O LEU A 33 1.206 -5.093 2.362 1.00 20.14 O ATOM 519 CB LEU A 33 2.665 -4.707 -0.181 1.00 53.20 C ATOM 520 CG LEU A 33 3.123 -4.187 -1.574 1.00 22.42 C ATOM 521 CD1 LEU A 33 4.653 -4.221 -1.722 1.00 51.02 C ATOM 522 CD2 LEU A 33 2.418 -4.957 -2.716 1.00 75.35 C ATOM 0 H LEU A 33 0.921 -2.830 0.185 1.00 10.53 H new ATOM 0 HA LEU A 33 0.842 -5.575 -0.846 1.00 23.45 H new ATOM 0 HB2 LEU A 33 2.999 -4.004 0.582 1.00 53.20 H new ATOM 0 HB3 LEU A 33 3.163 -5.656 0.020 1.00 53.20 H new ATOM 0 HG LEU A 33 2.823 -3.142 -1.649 1.00 22.42 H new ATOM 0 HD11 LEU A 33 4.931 -3.850 -2.708 1.00 51.02 H new ATOM 0 HD12 LEU A 33 5.107 -3.592 -0.956 1.00 51.02 H new ATOM 0 HD13 LEU A 33 5.007 -5.245 -1.606 1.00 51.02 H new ATOM 0 HD21 LEU A 33 2.757 -4.572 -3.678 1.00 75.35 H new ATOM 0 HD22 LEU A 33 2.660 -6.017 -2.643 1.00 75.35 H new ATOM 0 HD23 LEU A 33 1.339 -4.824 -2.632 1.00 75.35 H new ATOM 534 N LEU A 34 -0.042 -6.591 1.207 1.00 3.33 N ATOM 535 CA LEU A 34 -0.605 -7.273 2.359 1.00 15.14 C ATOM 536 C LEU A 34 0.335 -8.421 2.768 1.00 73.13 C ATOM 537 O LEU A 34 0.707 -9.255 1.928 1.00 75.20 O ATOM 538 CB LEU A 34 -2.048 -7.793 2.020 1.00 54.21 C ATOM 539 CG LEU A 34 -3.107 -7.669 3.161 1.00 54.04 C ATOM 540 CD1 LEU A 34 -2.762 -8.546 4.390 1.00 75.31 C ATOM 541 CD2 LEU A 34 -3.301 -6.182 3.557 1.00 41.35 C ATOM 0 H LEU A 34 -0.337 -6.990 0.316 1.00 3.33 H new ATOM 0 HA LEU A 34 -0.695 -6.586 3.200 1.00 15.14 H new ATOM 0 HB2 LEU A 34 -2.414 -7.247 1.151 1.00 54.21 H new ATOM 0 HB3 LEU A 34 -1.976 -8.841 1.731 1.00 54.21 H new ATOM 0 HG LEU A 34 -4.052 -8.050 2.773 1.00 54.04 H new ATOM 0 HD11 LEU A 34 -3.531 -8.422 5.153 1.00 75.31 H new ATOM 0 HD12 LEU A 34 -2.715 -9.592 4.089 1.00 75.31 H new ATOM 0 HD13 LEU A 34 -1.797 -8.242 4.795 1.00 75.31 H new ATOM 0 HD21 LEU A 34 -4.042 -6.111 4.353 1.00 41.35 H new ATOM 0 HD22 LEU A 34 -2.353 -5.772 3.906 1.00 41.35 H new ATOM 0 HD23 LEU A 34 -3.644 -5.617 2.691 1.00 41.35 H new ATOM 553 N LYS A 35 0.728 -8.433 4.050 1.00 24.24 N ATOM 554 CA LYS A 35 1.508 -9.517 4.652 1.00 62.14 C ATOM 555 C LYS A 35 0.854 -9.935 5.983 1.00 43.30 C ATOM 556 O LYS A 35 0.667 -9.113 6.888 1.00 45.43 O ATOM 557 CB LYS A 35 3.000 -9.101 4.859 1.00 44.32 C ATOM 558 CG LYS A 35 3.223 -7.780 5.636 1.00 70.32 C ATOM 559 CD LYS A 35 4.661 -7.647 6.198 1.00 72.24 C ATOM 560 CE LYS A 35 5.753 -7.683 5.117 1.00 75.41 C ATOM 561 NZ LYS A 35 7.110 -7.521 5.705 1.00 13.21 N ATOM 0 H LYS A 35 0.509 -7.680 4.703 1.00 24.24 H new ATOM 0 HA LYS A 35 1.511 -10.370 3.973 1.00 62.14 H new ATOM 0 HB2 LYS A 35 3.513 -9.904 5.388 1.00 44.32 H new ATOM 0 HB3 LYS A 35 3.473 -9.011 3.881 1.00 44.32 H new ATOM 0 HG2 LYS A 35 3.017 -6.937 4.976 1.00 70.32 H new ATOM 0 HG3 LYS A 35 2.510 -7.723 6.459 1.00 70.32 H new ATOM 0 HD2 LYS A 35 4.740 -6.711 6.751 1.00 72.24 H new ATOM 0 HD3 LYS A 35 4.840 -8.453 6.909 1.00 72.24 H new ATOM 0 HE2 LYS A 35 5.700 -8.628 4.577 1.00 75.41 H new ATOM 0 HE3 LYS A 35 5.573 -6.890 4.391 1.00 75.41 H new ATOM 0 HZ1 LYS A 35 7.705 -6.966 5.057 1.00 13.21 H new ATOM 0 HZ2 LYS A 35 7.036 -7.027 6.617 1.00 13.21 H new ATOM 0 HZ3 LYS A 35 7.539 -8.457 5.852 1.00 13.21 H new ATOM 575 N ASP A 36 0.454 -11.209 6.064 1.00 65.22 N ATOM 576 CA ASP A 36 -0.112 -11.823 7.274 1.00 32.04 C ATOM 577 C ASP A 36 0.557 -13.183 7.478 1.00 74.11 C ATOM 578 O ASP A 36 1.069 -13.775 6.514 1.00 42.31 O ATOM 579 CB ASP A 36 -1.655 -11.963 7.147 1.00 10.11 C ATOM 580 CG ASP A 36 -2.344 -12.298 8.484 1.00 43.54 C ATOM 581 OD1 ASP A 36 -2.531 -11.371 9.303 1.00 74.42 O ATOM 582 OD2 ASP A 36 -2.680 -13.478 8.737 1.00 72.41 O ATOM 0 H ASP A 36 0.515 -11.855 5.277 1.00 65.22 H new ATOM 0 HA ASP A 36 0.079 -11.191 8.141 1.00 32.04 H new ATOM 0 HB2 ASP A 36 -2.067 -11.033 6.756 1.00 10.11 H new ATOM 0 HB3 ASP A 36 -1.884 -12.743 6.421 1.00 10.11 H new ATOM 587 N LYS A 37 0.546 -13.691 8.723 1.00 53.42 N ATOM 588 CA LYS A 37 1.228 -14.954 9.076 1.00 14.15 C ATOM 589 C LYS A 37 0.357 -16.187 8.734 1.00 41.24 C ATOM 590 O LYS A 37 0.802 -17.336 8.882 1.00 33.50 O ATOM 591 CB LYS A 37 1.658 -14.946 10.576 1.00 1.50 C ATOM 592 CG LYS A 37 2.387 -13.652 11.055 1.00 13.54 C ATOM 593 CD LYS A 37 3.566 -13.211 10.140 1.00 45.42 C ATOM 594 CE LYS A 37 4.686 -14.263 10.019 1.00 60.12 C ATOM 595 NZ LYS A 37 5.771 -13.809 9.112 1.00 64.12 N ATOM 0 H LYS A 37 0.070 -13.245 9.507 1.00 53.42 H new ATOM 0 HA LYS A 37 2.131 -15.030 8.471 1.00 14.15 H new ATOM 0 HB2 LYS A 37 0.771 -15.092 11.192 1.00 1.50 H new ATOM 0 HB3 LYS A 37 2.313 -15.799 10.753 1.00 1.50 H new ATOM 0 HG2 LYS A 37 1.662 -12.840 11.112 1.00 13.54 H new ATOM 0 HG3 LYS A 37 2.765 -13.814 12.064 1.00 13.54 H new ATOM 0 HD2 LYS A 37 3.179 -12.990 9.145 1.00 45.42 H new ATOM 0 HD3 LYS A 37 3.990 -12.286 10.530 1.00 45.42 H new ATOM 0 HE2 LYS A 37 5.100 -14.469 11.006 1.00 60.12 H new ATOM 0 HE3 LYS A 37 4.268 -15.198 9.647 1.00 60.12 H new ATOM 0 HZ1 LYS A 37 6.506 -14.543 9.056 1.00 64.12 H new ATOM 0 HZ2 LYS A 37 5.381 -13.636 8.164 1.00 64.12 H new ATOM 0 HZ3 LYS A 37 6.187 -12.930 9.481 1.00 64.12 H new ATOM 609 N ASP A 38 -0.886 -15.933 8.284 1.00 24.40 N ATOM 610 CA ASP A 38 -1.776 -16.948 7.702 1.00 3.12 C ATOM 611 C ASP A 38 -2.226 -16.431 6.326 1.00 12.34 C ATOM 612 O ASP A 38 -2.968 -15.443 6.240 1.00 2.41 O ATOM 613 CB ASP A 38 -2.995 -17.217 8.630 1.00 12.31 C ATOM 614 CG ASP A 38 -3.912 -18.357 8.126 1.00 1.45 C ATOM 615 OD1 ASP A 38 -4.741 -18.126 7.218 1.00 2.11 O ATOM 616 OD2 ASP A 38 -3.803 -19.495 8.628 1.00 54.33 O ATOM 0 H ASP A 38 -1.304 -15.003 8.316 1.00 24.40 H new ATOM 0 HA ASP A 38 -1.252 -17.898 7.594 1.00 3.12 H new ATOM 0 HB2 ASP A 38 -2.634 -17.465 9.628 1.00 12.31 H new ATOM 0 HB3 ASP A 38 -3.581 -16.303 8.721 1.00 12.31 H new ATOM 621 N GLU A 39 -1.717 -17.082 5.267 1.00 14.12 N ATOM 622 CA GLU A 39 -1.954 -16.713 3.855 1.00 14.52 C ATOM 623 C GLU A 39 -3.452 -16.588 3.471 1.00 62.00 C ATOM 624 O GLU A 39 -3.767 -15.860 2.528 1.00 24.43 O ATOM 625 CB GLU A 39 -1.259 -17.761 2.939 1.00 10.12 C ATOM 626 CG GLU A 39 -1.877 -19.180 3.015 1.00 12.34 C ATOM 627 CD GLU A 39 -1.097 -20.230 2.209 1.00 21.10 C ATOM 628 OE1 GLU A 39 -1.285 -20.315 0.977 1.00 24.44 O ATOM 629 OE2 GLU A 39 -0.284 -20.970 2.803 1.00 74.41 O ATOM 0 H GLU A 39 -1.115 -17.899 5.368 1.00 14.12 H new ATOM 0 HA GLU A 39 -1.531 -15.718 3.715 1.00 14.52 H new ATOM 0 HB2 GLU A 39 -1.304 -17.412 1.907 1.00 10.12 H new ATOM 0 HB3 GLU A 39 -0.205 -17.821 3.209 1.00 10.12 H new ATOM 0 HG2 GLU A 39 -1.922 -19.493 4.058 1.00 12.34 H new ATOM 0 HG3 GLU A 39 -2.903 -19.141 2.650 1.00 12.34 H new ATOM 636 N LYS A 40 -4.354 -17.308 4.182 1.00 61.34 N ATOM 637 CA LYS A 40 -5.803 -17.279 3.895 1.00 4.44 C ATOM 638 C LYS A 40 -6.427 -15.997 4.471 1.00 65.22 C ATOM 639 O LYS A 40 -7.272 -15.373 3.819 1.00 53.23 O ATOM 640 CB LYS A 40 -6.511 -18.569 4.433 1.00 3.13 C ATOM 641 CG LYS A 40 -8.016 -18.736 4.052 1.00 11.21 C ATOM 642 CD LYS A 40 -8.999 -18.016 5.023 1.00 51.14 C ATOM 643 CE LYS A 40 -10.438 -17.953 4.485 1.00 11.40 C ATOM 644 NZ LYS A 40 -11.038 -19.302 4.302 1.00 33.23 N ATOM 0 H LYS A 40 -4.099 -17.916 4.960 1.00 61.34 H new ATOM 0 HA LYS A 40 -5.949 -17.268 2.815 1.00 4.44 H new ATOM 0 HB2 LYS A 40 -5.966 -19.438 4.066 1.00 3.13 H new ATOM 0 HB3 LYS A 40 -6.429 -18.577 5.520 1.00 3.13 H new ATOM 0 HG2 LYS A 40 -8.170 -18.351 3.044 1.00 11.21 H new ATOM 0 HG3 LYS A 40 -8.258 -19.798 4.028 1.00 11.21 H new ATOM 0 HD2 LYS A 40 -8.998 -18.534 5.982 1.00 51.14 H new ATOM 0 HD3 LYS A 40 -8.642 -17.003 5.208 1.00 51.14 H new ATOM 0 HE2 LYS A 40 -11.055 -17.375 5.173 1.00 11.40 H new ATOM 0 HE3 LYS A 40 -10.443 -17.424 3.532 1.00 11.40 H new ATOM 0 HZ1 LYS A 40 -12.007 -19.204 3.938 1.00 33.23 H new ATOM 0 HZ2 LYS A 40 -10.467 -19.847 3.625 1.00 33.23 H new ATOM 0 HZ3 LYS A 40 -11.060 -19.799 5.215 1.00 33.23 H new ATOM 658 N ARG A 41 -6.011 -15.604 5.700 1.00 3.01 N ATOM 659 CA ARG A 41 -6.521 -14.369 6.346 1.00 33.02 C ATOM 660 C ARG A 41 -5.997 -13.146 5.582 1.00 45.43 C ATOM 661 O ARG A 41 -6.664 -12.116 5.505 1.00 41.43 O ATOM 662 CB ARG A 41 -6.132 -14.285 7.848 1.00 32.44 C ATOM 663 CG ARG A 41 -6.323 -15.595 8.633 1.00 13.51 C ATOM 664 CD ARG A 41 -7.724 -16.222 8.506 1.00 23.02 C ATOM 665 NE ARG A 41 -7.724 -17.604 9.031 1.00 71.21 N ATOM 666 CZ ARG A 41 -8.555 -18.098 9.960 1.00 53.35 C ATOM 667 NH1 ARG A 41 -9.506 -17.344 10.509 1.00 42.11 N ATOM 668 NH2 ARG A 41 -8.419 -19.360 10.342 1.00 40.30 N ATOM 0 H ARG A 41 -5.331 -16.118 6.259 1.00 3.01 H new ATOM 0 HA ARG A 41 -7.610 -14.391 6.307 1.00 33.02 H new ATOM 0 HB2 ARG A 41 -5.088 -13.981 7.923 1.00 32.44 H new ATOM 0 HB3 ARG A 41 -6.727 -13.503 8.321 1.00 32.44 H new ATOM 0 HG2 ARG A 41 -5.583 -16.319 8.291 1.00 13.51 H new ATOM 0 HG3 ARG A 41 -6.119 -15.404 9.687 1.00 13.51 H new ATOM 0 HD2 ARG A 41 -8.449 -15.619 9.053 1.00 23.02 H new ATOM 0 HD3 ARG A 41 -8.034 -16.224 7.461 1.00 23.02 H new ATOM 0 HE ARG A 41 -7.025 -18.242 8.650 1.00 71.21 H new ATOM 0 HH11 ARG A 41 -9.613 -16.370 10.224 1.00 42.11 H new ATOM 0 HH12 ARG A 41 -10.127 -17.740 11.214 1.00 42.11 H new ATOM 0 HH21 ARG A 41 -7.689 -19.942 9.930 1.00 40.30 H new ATOM 0 HH22 ARG A 41 -9.044 -19.749 11.048 1.00 40.30 H new ATOM 682 N LEU A 42 -4.777 -13.302 5.034 1.00 12.35 N ATOM 683 CA LEU A 42 -4.169 -12.371 4.071 1.00 73.03 C ATOM 684 C LEU A 42 -5.061 -12.280 2.816 1.00 62.33 C ATOM 685 O LEU A 42 -5.432 -11.182 2.393 1.00 3.35 O ATOM 686 CB LEU A 42 -2.729 -12.900 3.722 1.00 44.44 C ATOM 687 CG LEU A 42 -1.713 -11.948 2.982 1.00 35.33 C ATOM 688 CD1 LEU A 42 -0.290 -12.553 2.968 1.00 53.42 C ATOM 689 CD2 LEU A 42 -2.139 -11.604 1.550 1.00 10.35 C ATOM 0 H LEU A 42 -4.176 -14.096 5.255 1.00 12.35 H new ATOM 0 HA LEU A 42 -4.085 -11.368 4.490 1.00 73.03 H new ATOM 0 HB2 LEU A 42 -2.262 -13.216 4.655 1.00 44.44 H new ATOM 0 HB3 LEU A 42 -2.848 -13.792 3.107 1.00 44.44 H new ATOM 0 HG LEU A 42 -1.711 -11.019 3.553 1.00 35.33 H new ATOM 0 HD11 LEU A 42 0.389 -11.875 2.451 1.00 53.42 H new ATOM 0 HD12 LEU A 42 0.053 -12.699 3.992 1.00 53.42 H new ATOM 0 HD13 LEU A 42 -0.308 -13.512 2.451 1.00 53.42 H new ATOM 0 HD21 LEU A 42 -1.397 -10.946 1.098 1.00 10.35 H new ATOM 0 HD22 LEU A 42 -2.218 -12.520 0.964 1.00 10.35 H new ATOM 0 HD23 LEU A 42 -3.106 -11.101 1.569 1.00 10.35 H new ATOM 701 N GLU A 43 -5.403 -13.455 2.256 1.00 72.51 N ATOM 702 CA GLU A 43 -6.078 -13.587 0.950 1.00 32.11 C ATOM 703 C GLU A 43 -7.461 -12.915 0.947 1.00 61.11 C ATOM 704 O GLU A 43 -7.833 -12.235 -0.024 1.00 20.24 O ATOM 705 CB GLU A 43 -6.213 -15.096 0.584 1.00 71.42 C ATOM 706 CG GLU A 43 -6.473 -15.384 -0.910 1.00 44.24 C ATOM 707 CD GLU A 43 -5.268 -15.037 -1.803 1.00 33.43 C ATOM 708 OE1 GLU A 43 -4.378 -15.898 -1.969 1.00 2.42 O ATOM 709 OE2 GLU A 43 -5.197 -13.906 -2.334 1.00 23.02 O ATOM 0 H GLU A 43 -5.216 -14.352 2.704 1.00 72.51 H new ATOM 0 HA GLU A 43 -5.469 -13.078 0.203 1.00 32.11 H new ATOM 0 HB2 GLU A 43 -5.300 -15.610 0.884 1.00 71.42 H new ATOM 0 HB3 GLU A 43 -7.027 -15.525 1.168 1.00 71.42 H new ATOM 0 HG2 GLU A 43 -6.720 -16.438 -1.034 1.00 44.24 H new ATOM 0 HG3 GLU A 43 -7.340 -14.812 -1.240 1.00 44.24 H new ATOM 716 N GLU A 44 -8.215 -13.117 2.044 1.00 10.14 N ATOM 717 CA GLU A 44 -9.546 -12.526 2.202 1.00 62.32 C ATOM 718 C GLU A 44 -9.423 -11.017 2.468 1.00 2.34 C ATOM 719 O GLU A 44 -10.219 -10.246 1.940 1.00 41.02 O ATOM 720 CB GLU A 44 -10.354 -13.228 3.327 1.00 53.53 C ATOM 721 CG GLU A 44 -9.681 -13.237 4.714 1.00 63.31 C ATOM 722 CD GLU A 44 -10.601 -13.734 5.840 1.00 12.22 C ATOM 723 OE1 GLU A 44 -10.997 -14.918 5.815 1.00 1.02 O ATOM 724 OE2 GLU A 44 -10.960 -12.938 6.737 1.00 54.41 O ATOM 0 H GLU A 44 -7.918 -13.689 2.835 1.00 10.14 H new ATOM 0 HA GLU A 44 -10.097 -12.674 1.273 1.00 62.32 H new ATOM 0 HB2 GLU A 44 -11.324 -12.738 3.415 1.00 53.53 H new ATOM 0 HB3 GLU A 44 -10.544 -14.259 3.027 1.00 53.53 H new ATOM 0 HG2 GLU A 44 -8.794 -13.870 4.674 1.00 63.31 H new ATOM 0 HG3 GLU A 44 -9.342 -12.228 4.951 1.00 63.31 H new ATOM 731 N LYS A 45 -8.402 -10.622 3.272 1.00 63.23 N ATOM 732 CA LYS A 45 -8.115 -9.210 3.613 1.00 13.13 C ATOM 733 C LYS A 45 -7.904 -8.370 2.337 1.00 4.20 C ATOM 734 O LYS A 45 -8.356 -7.218 2.259 1.00 70.44 O ATOM 735 CB LYS A 45 -6.868 -9.138 4.538 1.00 24.13 C ATOM 736 CG LYS A 45 -6.337 -7.720 4.822 1.00 50.25 C ATOM 737 CD LYS A 45 -7.274 -6.835 5.674 1.00 44.34 C ATOM 738 CE LYS A 45 -7.306 -7.236 7.160 1.00 44.42 C ATOM 739 NZ LYS A 45 -7.943 -6.181 7.988 1.00 52.21 N ATOM 0 H LYS A 45 -7.753 -11.281 3.703 1.00 63.23 H new ATOM 0 HA LYS A 45 -8.971 -8.794 4.144 1.00 13.13 H new ATOM 0 HB2 LYS A 45 -7.113 -9.613 5.488 1.00 24.13 H new ATOM 0 HB3 LYS A 45 -6.067 -9.724 4.086 1.00 24.13 H new ATOM 0 HG2 LYS A 45 -5.376 -7.802 5.331 1.00 50.25 H new ATOM 0 HG3 LYS A 45 -6.153 -7.219 3.872 1.00 50.25 H new ATOM 0 HD2 LYS A 45 -6.955 -5.796 5.592 1.00 44.34 H new ATOM 0 HD3 LYS A 45 -8.284 -6.891 5.268 1.00 44.34 H new ATOM 0 HE2 LYS A 45 -7.853 -8.172 7.275 1.00 44.42 H new ATOM 0 HE3 LYS A 45 -6.290 -7.415 7.513 1.00 44.42 H new ATOM 0 HZ1 LYS A 45 -7.557 -6.216 8.953 1.00 52.21 H new ATOM 0 HZ2 LYS A 45 -7.749 -5.248 7.571 1.00 52.21 H new ATOM 0 HZ3 LYS A 45 -8.970 -6.338 8.021 1.00 52.21 H new ATOM 753 N ILE A 46 -7.200 -8.978 1.357 1.00 2.43 N ATOM 754 CA ILE A 46 -7.018 -8.409 0.009 1.00 54.34 C ATOM 755 C ILE A 46 -8.385 -8.017 -0.576 1.00 72.34 C ATOM 756 O ILE A 46 -8.595 -6.867 -0.942 1.00 73.00 O ATOM 757 CB ILE A 46 -6.273 -9.418 -0.957 1.00 43.40 C ATOM 758 CG1 ILE A 46 -4.834 -9.722 -0.435 1.00 32.41 C ATOM 759 CG2 ILE A 46 -6.233 -8.907 -2.424 1.00 33.35 C ATOM 760 CD1 ILE A 46 -4.056 -10.732 -1.260 1.00 32.14 C ATOM 0 H ILE A 46 -6.741 -9.880 1.482 1.00 2.43 H new ATOM 0 HA ILE A 46 -6.392 -7.521 0.097 1.00 54.34 H new ATOM 0 HB ILE A 46 -6.846 -10.345 -0.958 1.00 43.40 H new ATOM 0 HG12 ILE A 46 -4.270 -8.790 -0.402 1.00 32.41 H new ATOM 0 HG13 ILE A 46 -4.904 -10.088 0.589 1.00 32.41 H new ATOM 0 HG21 ILE A 46 -5.712 -9.633 -3.048 1.00 33.35 H new ATOM 0 HG22 ILE A 46 -7.251 -8.776 -2.792 1.00 33.35 H new ATOM 0 HG23 ILE A 46 -5.708 -7.953 -2.463 1.00 33.35 H new ATOM 0 HD11 ILE A 46 -3.069 -10.878 -0.820 1.00 32.14 H new ATOM 0 HD12 ILE A 46 -4.592 -11.681 -1.273 1.00 32.14 H new ATOM 0 HD13 ILE A 46 -3.948 -10.363 -2.280 1.00 32.14 H new ATOM 772 N GLN A 47 -9.327 -8.979 -0.563 1.00 34.41 N ATOM 773 CA GLN A 47 -10.670 -8.816 -1.153 1.00 34.03 C ATOM 774 C GLN A 47 -11.532 -7.811 -0.364 1.00 20.21 C ATOM 775 O GLN A 47 -12.429 -7.194 -0.947 1.00 41.43 O ATOM 776 CB GLN A 47 -11.384 -10.195 -1.237 1.00 72.04 C ATOM 777 CG GLN A 47 -10.669 -11.231 -2.124 1.00 21.12 C ATOM 778 CD GLN A 47 -10.527 -10.765 -3.579 1.00 12.43 C ATOM 779 OE1 GLN A 47 -9.426 -10.097 -3.898 1.00 3.12 O flip ATOM 780 NE2 GLN A 47 -11.403 -11.000 -4.408 1.00 63.31 N flip ATOM 0 H GLN A 47 -9.177 -9.896 -0.141 1.00 34.41 H new ATOM 0 HA GLN A 47 -10.543 -8.412 -2.157 1.00 34.03 H new ATOM 0 HB2 GLN A 47 -11.480 -10.602 -0.230 1.00 72.04 H new ATOM 0 HB3 GLN A 47 -12.394 -10.044 -1.618 1.00 72.04 H new ATOM 0 HG2 GLN A 47 -9.680 -11.434 -1.713 1.00 21.12 H new ATOM 0 HG3 GLN A 47 -11.223 -12.169 -2.099 1.00 21.12 H new ATOM 0 HE21 GLN A 47 -12.239 -11.516 -4.134 1.00 63.31 H new ATOM 0 HE22 GLN A 47 -11.294 -10.679 -5.370 1.00 63.31 H new ATOM 789 N LYS A 48 -11.260 -7.653 0.956 1.00 50.51 N ATOM 790 CA LYS A 48 -11.988 -6.679 1.813 1.00 5.41 C ATOM 791 C LYS A 48 -11.661 -5.250 1.345 1.00 73.11 C ATOM 792 O LYS A 48 -12.554 -4.428 1.112 1.00 23.14 O ATOM 793 CB LYS A 48 -11.612 -6.824 3.323 1.00 11.23 C ATOM 794 CG LYS A 48 -11.635 -8.257 3.887 1.00 3.23 C ATOM 795 CD LYS A 48 -12.995 -8.986 3.758 1.00 55.43 C ATOM 796 CE LYS A 48 -12.916 -10.455 4.240 1.00 5.25 C ATOM 797 NZ LYS A 48 -12.500 -10.574 5.665 1.00 2.51 N ATOM 0 H LYS A 48 -10.544 -8.185 1.450 1.00 50.51 H new ATOM 0 HA LYS A 48 -13.054 -6.884 1.716 1.00 5.41 H new ATOM 0 HB2 LYS A 48 -10.614 -6.412 3.470 1.00 11.23 H new ATOM 0 HB3 LYS A 48 -12.298 -6.213 3.909 1.00 11.23 H new ATOM 0 HG2 LYS A 48 -10.874 -8.846 3.375 1.00 3.23 H new ATOM 0 HG3 LYS A 48 -11.356 -8.222 4.940 1.00 3.23 H new ATOM 0 HD2 LYS A 48 -13.748 -8.454 4.340 1.00 55.43 H new ATOM 0 HD3 LYS A 48 -13.321 -8.963 2.718 1.00 55.43 H new ATOM 0 HE2 LYS A 48 -13.889 -10.928 4.110 1.00 5.25 H new ATOM 0 HE3 LYS A 48 -12.210 -11.001 3.614 1.00 5.25 H new ATOM 0 HZ1 LYS A 48 -12.464 -11.578 5.933 1.00 2.51 H new ATOM 0 HZ2 LYS A 48 -11.559 -10.149 5.789 1.00 2.51 H new ATOM 0 HZ3 LYS A 48 -13.186 -10.078 6.269 1.00 2.51 H new ATOM 811 N LEU A 49 -10.348 -4.996 1.198 1.00 23.23 N ATOM 812 CA LEU A 49 -9.806 -3.695 0.784 1.00 4.33 C ATOM 813 C LEU A 49 -10.116 -3.393 -0.698 1.00 11.44 C ATOM 814 O LEU A 49 -10.393 -2.246 -1.046 1.00 21.23 O ATOM 815 CB LEU A 49 -8.278 -3.659 1.046 1.00 3.13 C ATOM 816 CG LEU A 49 -7.829 -3.622 2.542 1.00 13.13 C ATOM 817 CD1 LEU A 49 -6.310 -3.871 2.689 1.00 10.20 C ATOM 818 CD2 LEU A 49 -8.236 -2.285 3.197 1.00 30.42 C ATOM 0 H LEU A 49 -9.628 -5.698 1.366 1.00 23.23 H new ATOM 0 HA LEU A 49 -10.290 -2.919 1.377 1.00 4.33 H new ATOM 0 HB2 LEU A 49 -7.830 -4.535 0.577 1.00 3.13 H new ATOM 0 HB3 LEU A 49 -7.866 -2.783 0.544 1.00 3.13 H new ATOM 0 HG LEU A 49 -8.341 -4.431 3.062 1.00 13.13 H new ATOM 0 HD11 LEU A 49 -6.036 -3.838 3.744 1.00 10.20 H new ATOM 0 HD12 LEU A 49 -6.061 -4.850 2.280 1.00 10.20 H new ATOM 0 HD13 LEU A 49 -5.761 -3.101 2.147 1.00 10.20 H new ATOM 0 HD21 LEU A 49 -7.915 -2.278 4.239 1.00 30.42 H new ATOM 0 HD22 LEU A 49 -7.762 -1.460 2.665 1.00 30.42 H new ATOM 0 HD23 LEU A 49 -9.319 -2.172 3.150 1.00 30.42 H new ATOM 830 N LYS A 50 -10.066 -4.427 -1.570 1.00 23.41 N ATOM 831 CA LYS A 50 -10.371 -4.269 -3.013 1.00 34.54 C ATOM 832 C LYS A 50 -11.875 -4.026 -3.240 1.00 31.55 C ATOM 833 O LYS A 50 -12.254 -3.379 -4.222 1.00 43.22 O ATOM 834 CB LYS A 50 -9.876 -5.482 -3.850 1.00 5.12 C ATOM 835 CG LYS A 50 -8.343 -5.691 -3.808 1.00 13.20 C ATOM 836 CD LYS A 50 -7.820 -6.711 -4.841 1.00 74.21 C ATOM 837 CE LYS A 50 -7.960 -6.214 -6.285 1.00 41.44 C ATOM 838 NZ LYS A 50 -7.459 -7.210 -7.263 1.00 42.40 N ATOM 0 H LYS A 50 -9.818 -5.379 -1.301 1.00 23.41 H new ATOM 0 HA LYS A 50 -9.826 -3.391 -3.359 1.00 34.54 H new ATOM 0 HB2 LYS A 50 -10.366 -6.385 -3.487 1.00 5.12 H new ATOM 0 HB3 LYS A 50 -10.186 -5.346 -4.886 1.00 5.12 H new ATOM 0 HG2 LYS A 50 -7.851 -4.733 -3.978 1.00 13.20 H new ATOM 0 HG3 LYS A 50 -8.059 -6.023 -2.809 1.00 13.20 H new ATOM 0 HD2 LYS A 50 -6.771 -6.926 -4.635 1.00 74.21 H new ATOM 0 HD3 LYS A 50 -8.365 -7.648 -4.729 1.00 74.21 H new ATOM 0 HE2 LYS A 50 -9.007 -5.995 -6.494 1.00 41.44 H new ATOM 0 HE3 LYS A 50 -7.410 -5.281 -6.403 1.00 41.44 H new ATOM 0 HZ1 LYS A 50 -7.571 -6.837 -8.227 1.00 42.40 H new ATOM 0 HZ2 LYS A 50 -6.453 -7.400 -7.080 1.00 42.40 H new ATOM 0 HZ3 LYS A 50 -8.001 -8.092 -7.168 1.00 42.40 H new ATOM 852 N SER A 51 -12.721 -4.558 -2.329 1.00 44.55 N ATOM 853 CA SER A 51 -14.168 -4.252 -2.302 1.00 22.52 C ATOM 854 C SER A 51 -14.405 -2.751 -2.008 1.00 43.22 C ATOM 855 O SER A 51 -15.324 -2.133 -2.561 1.00 71.23 O ATOM 856 CB SER A 51 -14.879 -5.130 -1.245 1.00 63.55 C ATOM 857 OG SER A 51 -16.289 -4.963 -1.288 1.00 54.34 O ATOM 0 H SER A 51 -12.423 -5.205 -1.599 1.00 44.55 H new ATOM 0 HA SER A 51 -14.587 -4.476 -3.283 1.00 22.52 H new ATOM 0 HB2 SER A 51 -14.631 -6.178 -1.415 1.00 63.55 H new ATOM 0 HB3 SER A 51 -14.512 -4.873 -0.251 1.00 63.55 H new ATOM 0 HG SER A 51 -16.707 -5.533 -0.609 1.00 54.34 H new ATOM 863 N GLN A 52 -13.557 -2.187 -1.123 1.00 53.44 N ATOM 864 CA GLN A 52 -13.560 -0.743 -0.805 1.00 31.23 C ATOM 865 C GLN A 52 -12.895 0.072 -1.938 1.00 62.45 C ATOM 866 O GLN A 52 -13.160 1.271 -2.091 1.00 53.30 O ATOM 867 CB GLN A 52 -12.805 -0.498 0.528 1.00 61.20 C ATOM 868 CG GLN A 52 -13.404 -1.237 1.739 1.00 31.05 C ATOM 869 CD GLN A 52 -12.612 -1.061 3.037 1.00 32.25 C ATOM 870 OE1 GLN A 52 -11.288 -0.968 2.951 1.00 4.24 O flip ATOM 871 NE2 GLN A 52 -13.188 -1.053 4.128 1.00 62.10 N flip ATOM 0 H GLN A 52 -12.853 -2.717 -0.610 1.00 53.44 H new ATOM 0 HA GLN A 52 -14.595 -0.415 -0.705 1.00 31.23 H new ATOM 0 HB2 GLN A 52 -11.767 -0.806 0.406 1.00 61.20 H new ATOM 0 HB3 GLN A 52 -12.798 0.572 0.737 1.00 61.20 H new ATOM 0 HG2 GLN A 52 -14.423 -0.884 1.898 1.00 31.05 H new ATOM 0 HG3 GLN A 52 -13.467 -2.300 1.507 1.00 31.05 H new ATOM 0 HE21 GLN A 52 -14.205 -1.126 4.169 1.00 62.10 H new ATOM 0 HE22 GLN A 52 -12.648 -0.974 4.989 1.00 62.10 H new ATOM 880 N GLY A 53 -12.035 -0.606 -2.721 1.00 41.10 N ATOM 881 CA GLY A 53 -11.284 0.006 -3.808 1.00 10.44 C ATOM 882 C GLY A 53 -9.857 0.319 -3.375 1.00 63.01 C ATOM 883 O GLY A 53 -9.590 1.414 -2.895 1.00 12.41 O ATOM 0 H GLY A 53 -11.848 -1.602 -2.607 1.00 41.10 H new ATOM 0 HA2 GLY A 53 -11.269 -0.665 -4.667 1.00 10.44 H new ATOM 0 HA3 GLY A 53 -11.780 0.922 -4.128 1.00 10.44 H new ATOM 887 N PHE A 54 -8.970 -0.688 -3.467 1.00 15.44 N ATOM 888 CA PHE A 54 -7.499 -0.559 -3.241 1.00 23.24 C ATOM 889 C PHE A 54 -6.804 -1.613 -4.113 1.00 60.22 C ATOM 890 O PHE A 54 -7.304 -2.733 -4.216 1.00 54.54 O ATOM 891 CB PHE A 54 -7.105 -0.791 -1.743 1.00 54.01 C ATOM 892 CG PHE A 54 -7.550 0.303 -0.771 1.00 34.13 C ATOM 893 CD1 PHE A 54 -6.929 1.549 -0.782 1.00 21.23 C ATOM 894 CD2 PHE A 54 -8.603 0.100 0.129 1.00 71.21 C ATOM 895 CE1 PHE A 54 -7.334 2.543 0.081 1.00 33.31 C ATOM 896 CE2 PHE A 54 -9.005 1.098 0.991 1.00 11.00 C ATOM 897 CZ PHE A 54 -8.376 2.323 0.958 1.00 13.11 C ATOM 0 H PHE A 54 -9.251 -1.639 -3.705 1.00 15.44 H new ATOM 0 HA PHE A 54 -7.191 0.454 -3.501 1.00 23.24 H new ATOM 0 HB2 PHE A 54 -7.531 -1.740 -1.416 1.00 54.01 H new ATOM 0 HB3 PHE A 54 -6.021 -0.890 -1.681 1.00 54.01 H new ATOM 0 HD1 PHE A 54 -6.122 1.738 -1.474 1.00 21.23 H new ATOM 0 HD2 PHE A 54 -9.109 -0.854 0.148 1.00 71.21 H new ATOM 0 HE1 PHE A 54 -6.833 3.500 0.071 1.00 33.31 H new ATOM 0 HE2 PHE A 54 -9.810 0.920 1.689 1.00 11.00 H new ATOM 0 HZ PHE A 54 -8.699 3.113 1.620 1.00 13.11 H new ATOM 907 N GLU A 55 -5.669 -1.270 -4.748 1.00 40.21 N ATOM 908 CA GLU A 55 -4.894 -2.225 -5.570 1.00 3.42 C ATOM 909 C GLU A 55 -3.992 -3.103 -4.678 1.00 44.10 C ATOM 910 O GLU A 55 -2.771 -2.919 -4.603 1.00 31.15 O ATOM 911 CB GLU A 55 -4.087 -1.461 -6.655 1.00 4.24 C ATOM 912 CG GLU A 55 -4.952 -0.823 -7.763 1.00 14.23 C ATOM 913 CD GLU A 55 -5.734 -1.868 -8.577 1.00 14.43 C ATOM 914 OE1 GLU A 55 -5.145 -2.474 -9.503 1.00 73.10 O ATOM 915 OE2 GLU A 55 -6.925 -2.118 -8.283 1.00 44.33 O ATOM 0 H GLU A 55 -5.264 -0.335 -4.709 1.00 40.21 H new ATOM 0 HA GLU A 55 -5.580 -2.897 -6.085 1.00 3.42 H new ATOM 0 HB2 GLU A 55 -3.502 -0.678 -6.172 1.00 4.24 H new ATOM 0 HB3 GLU A 55 -3.379 -2.150 -7.115 1.00 4.24 H new ATOM 0 HG2 GLU A 55 -5.653 -0.120 -7.313 1.00 14.23 H new ATOM 0 HG3 GLU A 55 -4.312 -0.250 -8.434 1.00 14.23 H new ATOM 922 N VAL A 56 -4.629 -4.062 -3.989 1.00 20.43 N ATOM 923 CA VAL A 56 -3.968 -4.917 -2.994 1.00 25.31 C ATOM 924 C VAL A 56 -3.354 -6.152 -3.670 1.00 31.25 C ATOM 925 O VAL A 56 -4.025 -6.831 -4.453 1.00 34.10 O ATOM 926 CB VAL A 56 -4.955 -5.379 -1.867 1.00 62.31 C ATOM 927 CG1 VAL A 56 -4.191 -6.016 -0.679 1.00 63.42 C ATOM 928 CG2 VAL A 56 -5.838 -4.216 -1.397 1.00 1.40 C ATOM 0 H VAL A 56 -5.621 -4.266 -4.108 1.00 20.43 H new ATOM 0 HA VAL A 56 -3.182 -4.319 -2.533 1.00 25.31 H new ATOM 0 HB VAL A 56 -5.607 -6.144 -2.289 1.00 62.31 H new ATOM 0 HG11 VAL A 56 -4.902 -6.326 0.086 1.00 63.42 H new ATOM 0 HG12 VAL A 56 -3.633 -6.884 -1.029 1.00 63.42 H new ATOM 0 HG13 VAL A 56 -3.500 -5.286 -0.258 1.00 63.42 H new ATOM 0 HG21 VAL A 56 -6.513 -4.564 -0.615 1.00 1.40 H new ATOM 0 HG22 VAL A 56 -5.209 -3.417 -1.004 1.00 1.40 H new ATOM 0 HG23 VAL A 56 -6.420 -3.839 -2.238 1.00 1.40 H new ATOM 938 N ARG A 57 -2.077 -6.422 -3.357 1.00 43.32 N ATOM 939 CA ARG A 57 -1.330 -7.595 -3.841 1.00 12.03 C ATOM 940 C ARG A 57 -0.734 -8.360 -2.651 1.00 63.13 C ATOM 941 O ARG A 57 -0.438 -7.770 -1.604 1.00 10.21 O ATOM 942 CB ARG A 57 -0.200 -7.161 -4.816 1.00 30.41 C ATOM 943 CG ARG A 57 -0.685 -6.482 -6.118 1.00 13.52 C ATOM 944 CD ARG A 57 -1.596 -7.379 -6.971 1.00 1.12 C ATOM 945 NE ARG A 57 -1.952 -6.739 -8.249 1.00 32.04 N ATOM 946 CZ ARG A 57 -2.945 -7.128 -9.071 1.00 20.41 C ATOM 947 NH1 ARG A 57 -3.719 -8.176 -8.770 1.00 0.43 N ATOM 948 NH2 ARG A 57 -3.155 -6.470 -10.195 1.00 41.22 N ATOM 0 H ARG A 57 -1.523 -5.819 -2.748 1.00 43.32 H new ATOM 0 HA ARG A 57 -2.017 -8.248 -4.380 1.00 12.03 H new ATOM 0 HB2 ARG A 57 0.467 -6.475 -4.293 1.00 30.41 H new ATOM 0 HB3 ARG A 57 0.389 -8.039 -5.080 1.00 30.41 H new ATOM 0 HG2 ARG A 57 -1.222 -5.568 -5.864 1.00 13.52 H new ATOM 0 HG3 ARG A 57 0.181 -6.188 -6.711 1.00 13.52 H new ATOM 0 HD2 ARG A 57 -1.094 -8.326 -7.166 1.00 1.12 H new ATOM 0 HD3 ARG A 57 -2.504 -7.609 -6.414 1.00 1.12 H new ATOM 0 HE ARG A 57 -1.399 -5.932 -8.536 1.00 32.04 H new ATOM 0 HH11 ARG A 57 -3.562 -8.695 -7.906 1.00 0.43 H new ATOM 0 HH12 ARG A 57 -4.467 -8.457 -9.404 1.00 0.43 H new ATOM 0 HH21 ARG A 57 -2.567 -5.672 -10.436 1.00 41.22 H new ATOM 0 HH22 ARG A 57 -3.905 -6.759 -10.823 1.00 41.22 H new ATOM 962 N LYS A 58 -0.555 -9.675 -2.836 1.00 54.05 N ATOM 963 CA LYS A 58 0.050 -10.562 -1.836 1.00 22.50 C ATOM 964 C LYS A 58 1.564 -10.642 -2.072 1.00 50.53 C ATOM 965 O LYS A 58 2.008 -10.955 -3.188 1.00 20.54 O ATOM 966 CB LYS A 58 -0.589 -11.973 -1.930 1.00 21.21 C ATOM 967 CG LYS A 58 0.025 -13.042 -0.992 1.00 1.45 C ATOM 968 CD LYS A 58 -0.765 -14.373 -1.009 1.00 73.41 C ATOM 969 CE LYS A 58 -0.877 -14.984 -2.415 1.00 75.22 C ATOM 970 NZ LYS A 58 -1.549 -16.296 -2.403 1.00 12.21 N ATOM 0 H LYS A 58 -0.829 -10.156 -3.692 1.00 54.05 H new ATOM 0 HA LYS A 58 -0.131 -10.164 -0.837 1.00 22.50 H new ATOM 0 HB2 LYS A 58 -1.653 -11.887 -1.709 1.00 21.21 H new ATOM 0 HB3 LYS A 58 -0.505 -12.324 -2.958 1.00 21.21 H new ATOM 0 HG2 LYS A 58 1.056 -13.232 -1.290 1.00 1.45 H new ATOM 0 HG3 LYS A 58 0.053 -12.654 0.026 1.00 1.45 H new ATOM 0 HD2 LYS A 58 -0.278 -15.087 -0.346 1.00 73.41 H new ATOM 0 HD3 LYS A 58 -1.766 -14.201 -0.612 1.00 73.41 H new ATOM 0 HE2 LYS A 58 -1.428 -14.302 -3.062 1.00 75.22 H new ATOM 0 HE3 LYS A 58 0.120 -15.093 -2.842 1.00 75.22 H new ATOM 0 HZ1 LYS A 58 -1.409 -16.766 -3.320 1.00 12.21 H new ATOM 0 HZ2 LYS A 58 -1.146 -16.885 -1.647 1.00 12.21 H new ATOM 0 HZ3 LYS A 58 -2.567 -16.163 -2.234 1.00 12.21 H new ATOM 984 N VAL A 59 2.349 -10.355 -1.025 1.00 41.12 N ATOM 985 CA VAL A 59 3.824 -10.440 -1.055 1.00 11.14 C ATOM 986 C VAL A 59 4.305 -11.511 -0.061 1.00 64.04 C ATOM 987 O VAL A 59 3.494 -12.156 0.616 1.00 3.15 O ATOM 988 CB VAL A 59 4.494 -9.045 -0.720 1.00 1.32 C ATOM 989 CG1 VAL A 59 4.322 -8.035 -1.877 1.00 21.43 C ATOM 990 CG2 VAL A 59 3.945 -8.463 0.606 1.00 40.44 C ATOM 0 H VAL A 59 1.979 -10.054 -0.123 1.00 41.12 H new ATOM 0 HA VAL A 59 4.126 -10.719 -2.065 1.00 11.14 H new ATOM 0 HB VAL A 59 5.562 -9.223 -0.595 1.00 1.32 H new ATOM 0 HG11 VAL A 59 4.795 -7.090 -1.609 1.00 21.43 H new ATOM 0 HG12 VAL A 59 4.789 -8.432 -2.779 1.00 21.43 H new ATOM 0 HG13 VAL A 59 3.260 -7.870 -2.061 1.00 21.43 H new ATOM 0 HG21 VAL A 59 4.424 -7.505 0.809 1.00 40.44 H new ATOM 0 HG22 VAL A 59 2.868 -8.319 0.522 1.00 40.44 H new ATOM 0 HG23 VAL A 59 4.156 -9.154 1.422 1.00 40.44 H new ATOM 1000 N LYS A 60 5.629 -11.721 -0.023 1.00 64.40 N ATOM 1001 CA LYS A 60 6.302 -12.579 0.967 1.00 3.11 C ATOM 1002 C LYS A 60 6.695 -11.728 2.186 1.00 65.31 C ATOM 1003 O LYS A 60 6.086 -11.852 3.263 1.00 3.43 O ATOM 1004 CB LYS A 60 7.567 -13.253 0.343 1.00 64.51 C ATOM 1005 CG LYS A 60 7.286 -14.160 -0.876 1.00 40.21 C ATOM 1006 CD LYS A 60 8.580 -14.765 -1.486 1.00 3.12 C ATOM 1007 CE LYS A 60 8.299 -15.717 -2.662 1.00 4.32 C ATOM 1008 NZ LYS A 60 9.551 -16.215 -3.294 1.00 12.11 N ATOM 0 H LYS A 60 6.273 -11.294 -0.689 1.00 64.40 H new ATOM 0 HA LYS A 60 5.620 -13.370 1.280 1.00 3.11 H new ATOM 0 HB2 LYS A 60 8.266 -12.472 0.043 1.00 64.51 H new ATOM 0 HB3 LYS A 60 8.062 -13.846 1.112 1.00 64.51 H new ATOM 0 HG2 LYS A 60 6.619 -14.968 -0.576 1.00 40.21 H new ATOM 0 HG3 LYS A 60 6.765 -13.583 -1.640 1.00 40.21 H new ATOM 0 HD2 LYS A 60 9.228 -13.957 -1.826 1.00 3.12 H new ATOM 0 HD3 LYS A 60 9.124 -15.304 -0.710 1.00 3.12 H new ATOM 0 HE2 LYS A 60 7.711 -16.564 -2.309 1.00 4.32 H new ATOM 0 HE3 LYS A 60 7.697 -15.200 -3.410 1.00 4.32 H new ATOM 0 HZ1 LYS A 60 9.313 -16.852 -4.081 1.00 12.11 H new ATOM 0 HZ2 LYS A 60 10.102 -15.410 -3.655 1.00 12.11 H new ATOM 0 HZ3 LYS A 60 10.114 -16.731 -2.589 1.00 12.11 H new ATOM 1022 N ASP A 61 7.681 -10.827 1.987 1.00 44.20 N ATOM 1023 CA ASP A 61 8.256 -10.008 3.074 1.00 70.01 C ATOM 1024 C ASP A 61 9.112 -8.867 2.448 1.00 65.51 C ATOM 1025 O ASP A 61 9.080 -8.699 1.224 1.00 33.01 O ATOM 1026 CB ASP A 61 9.061 -10.940 4.044 1.00 21.32 C ATOM 1027 CG ASP A 61 9.330 -10.333 5.431 1.00 63.14 C ATOM 1028 OD1 ASP A 61 8.353 -10.050 6.158 1.00 15.14 O ATOM 1029 OD2 ASP A 61 10.504 -10.119 5.794 1.00 71.31 O ATOM 0 H ASP A 61 8.098 -10.648 1.074 1.00 44.20 H new ATOM 0 HA ASP A 61 7.480 -9.529 3.671 1.00 70.01 H new ATOM 0 HB2 ASP A 61 8.513 -11.874 4.170 1.00 21.32 H new ATOM 0 HB3 ASP A 61 10.015 -11.191 3.579 1.00 21.32 H new ATOM 1034 N ASP A 62 9.908 -8.113 3.262 1.00 21.45 N ATOM 1035 CA ASP A 62 10.534 -6.819 2.835 1.00 41.30 C ATOM 1036 C ASP A 62 11.452 -6.961 1.596 1.00 42.31 C ATOM 1037 O ASP A 62 11.689 -5.981 0.871 1.00 70.34 O ATOM 1038 CB ASP A 62 11.331 -6.177 4.006 1.00 32.12 C ATOM 1039 CG ASP A 62 12.600 -6.960 4.416 1.00 72.32 C ATOM 1040 OD1 ASP A 62 12.491 -7.920 5.209 1.00 64.02 O ATOM 1041 OD2 ASP A 62 13.714 -6.627 3.946 1.00 54.43 O ATOM 0 H ASP A 62 10.133 -8.378 4.221 1.00 21.45 H new ATOM 0 HA ASP A 62 9.708 -6.168 2.550 1.00 41.30 H new ATOM 0 HB2 ASP A 62 11.619 -5.165 3.722 1.00 32.12 H new ATOM 0 HB3 ASP A 62 10.675 -6.091 4.872 1.00 32.12 H new ATOM 1046 N ASP A 63 11.954 -8.191 1.398 1.00 22.31 N ATOM 1047 CA ASP A 63 12.830 -8.553 0.279 1.00 41.21 C ATOM 1048 C ASP A 63 12.102 -8.383 -1.069 1.00 0.13 C ATOM 1049 O ASP A 63 12.505 -7.555 -1.895 1.00 1.31 O ATOM 1050 CB ASP A 63 13.338 -10.009 0.447 1.00 63.14 C ATOM 1051 CG ASP A 63 14.254 -10.468 -0.699 1.00 54.12 C ATOM 1052 OD1 ASP A 63 15.405 -9.993 -0.777 1.00 32.12 O ATOM 1053 OD2 ASP A 63 13.836 -11.303 -1.525 1.00 51.41 O ATOM 0 H ASP A 63 11.757 -8.973 2.023 1.00 22.31 H new ATOM 0 HA ASP A 63 13.688 -7.881 0.283 1.00 41.21 H new ATOM 0 HB2 ASP A 63 13.878 -10.092 1.390 1.00 63.14 H new ATOM 0 HB3 ASP A 63 12.482 -10.681 0.510 1.00 63.14 H new ATOM 1058 N ASP A 64 10.988 -9.128 -1.252 1.00 41.14 N ATOM 1059 CA ASP A 64 10.258 -9.173 -2.546 1.00 73.30 C ATOM 1060 C ASP A 64 9.462 -7.867 -2.742 1.00 70.25 C ATOM 1061 O ASP A 64 9.157 -7.493 -3.870 1.00 31.01 O ATOM 1062 CB ASP A 64 9.328 -10.439 -2.645 1.00 22.03 C ATOM 1063 CG ASP A 64 7.903 -10.253 -2.094 1.00 42.43 C ATOM 1064 OD1 ASP A 64 7.767 -9.909 -0.911 1.00 43.42 O ATOM 1065 OD2 ASP A 64 6.912 -10.466 -2.845 1.00 14.13 O ATOM 0 H ASP A 64 10.573 -9.707 -0.522 1.00 41.14 H new ATOM 0 HA ASP A 64 10.987 -9.259 -3.352 1.00 73.30 H new ATOM 0 HB2 ASP A 64 9.259 -10.738 -3.691 1.00 22.03 H new ATOM 0 HB3 ASP A 64 9.803 -11.261 -2.109 1.00 22.03 H new ATOM 1070 N ILE A 65 9.130 -7.211 -1.606 1.00 62.52 N ATOM 1071 CA ILE A 65 8.496 -5.879 -1.573 1.00 14.51 C ATOM 1072 C ILE A 65 9.376 -4.830 -2.289 1.00 24.32 C ATOM 1073 O ILE A 65 8.886 -4.095 -3.147 1.00 13.43 O ATOM 1074 CB ILE A 65 8.203 -5.445 -0.080 1.00 41.41 C ATOM 1075 CG1 ILE A 65 7.028 -6.294 0.510 1.00 54.33 C ATOM 1076 CG2 ILE A 65 7.930 -3.920 0.059 1.00 64.45 C ATOM 1077 CD1 ILE A 65 6.737 -6.069 1.982 1.00 62.22 C ATOM 0 H ILE A 65 9.298 -7.599 -0.678 1.00 62.52 H new ATOM 0 HA ILE A 65 7.547 -5.938 -2.107 1.00 14.51 H new ATOM 0 HB ILE A 65 9.104 -5.644 0.500 1.00 41.41 H new ATOM 0 HG12 ILE A 65 6.124 -6.077 -0.059 1.00 54.33 H new ATOM 0 HG13 ILE A 65 7.254 -7.350 0.359 1.00 54.33 H new ATOM 0 HG21 ILE A 65 7.735 -3.679 1.104 1.00 64.45 H new ATOM 0 HG22 ILE A 65 8.800 -3.362 -0.286 1.00 64.45 H new ATOM 0 HG23 ILE A 65 7.063 -3.649 -0.543 1.00 64.45 H new ATOM 0 HD11 ILE A 65 5.907 -6.705 2.290 1.00 62.22 H new ATOM 0 HD12 ILE A 65 7.621 -6.317 2.570 1.00 62.22 H new ATOM 0 HD13 ILE A 65 6.474 -5.024 2.145 1.00 62.22 H new ATOM 1089 N ASP A 66 10.674 -4.777 -1.930 1.00 15.30 N ATOM 1090 CA ASP A 66 11.633 -3.825 -2.533 1.00 23.45 C ATOM 1091 C ASP A 66 11.769 -4.055 -4.064 1.00 72.23 C ATOM 1092 O ASP A 66 11.943 -3.097 -4.829 1.00 63.44 O ATOM 1093 CB ASP A 66 13.009 -3.911 -1.813 1.00 5.34 C ATOM 1094 CG ASP A 66 13.963 -2.776 -2.234 1.00 21.23 C ATOM 1095 OD1 ASP A 66 13.831 -1.648 -1.702 1.00 12.34 O ATOM 1096 OD2 ASP A 66 14.837 -2.995 -3.100 1.00 72.43 O ATOM 0 H ASP A 66 11.086 -5.385 -1.222 1.00 15.30 H new ATOM 0 HA ASP A 66 11.246 -2.815 -2.396 1.00 23.45 H new ATOM 0 HB2 ASP A 66 12.855 -3.872 -0.735 1.00 5.34 H new ATOM 0 HB3 ASP A 66 13.472 -4.873 -2.034 1.00 5.34 H new ATOM 1101 N LYS A 67 11.624 -5.329 -4.500 1.00 11.23 N ATOM 1102 CA LYS A 67 11.633 -5.695 -5.940 1.00 40.34 C ATOM 1103 C LYS A 67 10.256 -5.446 -6.580 1.00 50.00 C ATOM 1104 O LYS A 67 10.162 -5.255 -7.802 1.00 25.12 O ATOM 1105 CB LYS A 67 12.098 -7.172 -6.190 1.00 24.52 C ATOM 1106 CG LYS A 67 13.615 -7.323 -6.475 1.00 53.22 C ATOM 1107 CD LYS A 67 14.518 -7.145 -5.229 1.00 22.22 C ATOM 1108 CE LYS A 67 14.408 -8.324 -4.252 1.00 34.23 C ATOM 1109 NZ LYS A 67 15.337 -8.182 -3.112 1.00 21.12 N ATOM 0 H LYS A 67 11.499 -6.124 -3.874 1.00 11.23 H new ATOM 0 HA LYS A 67 12.367 -5.047 -6.418 1.00 40.34 H new ATOM 0 HB2 LYS A 67 11.842 -7.774 -5.318 1.00 24.52 H new ATOM 0 HB3 LYS A 67 11.539 -7.579 -7.033 1.00 24.52 H new ATOM 0 HG2 LYS A 67 13.796 -8.309 -6.903 1.00 53.22 H new ATOM 0 HG3 LYS A 67 13.906 -6.591 -7.228 1.00 53.22 H new ATOM 0 HD2 LYS A 67 15.555 -7.037 -5.548 1.00 22.22 H new ATOM 0 HD3 LYS A 67 14.245 -6.224 -4.714 1.00 22.22 H new ATOM 0 HE2 LYS A 67 13.386 -8.394 -3.881 1.00 34.23 H new ATOM 0 HE3 LYS A 67 14.620 -9.254 -4.780 1.00 34.23 H new ATOM 0 HZ1 LYS A 67 15.306 -9.043 -2.530 1.00 21.12 H new ATOM 0 HZ2 LYS A 67 16.304 -8.039 -3.468 1.00 21.12 H new ATOM 0 HZ3 LYS A 67 15.056 -7.364 -2.535 1.00 21.12 H new ATOM 1123 N TRP A 68 9.194 -5.451 -5.757 1.00 53.10 N ATOM 1124 CA TRP A 68 7.820 -5.209 -6.224 1.00 65.00 C ATOM 1125 C TRP A 68 7.692 -3.747 -6.676 1.00 23.12 C ATOM 1126 O TRP A 68 7.100 -3.462 -7.714 1.00 52.02 O ATOM 1127 CB TRP A 68 6.789 -5.546 -5.106 1.00 41.42 C ATOM 1128 CG TRP A 68 5.365 -5.626 -5.593 1.00 30.25 C ATOM 1129 CD1 TRP A 68 4.720 -6.745 -6.042 1.00 12.03 C ATOM 1130 CD2 TRP A 68 4.410 -4.555 -5.679 1.00 51.32 C ATOM 1131 NE1 TRP A 68 3.438 -6.433 -6.405 1.00 21.14 N ATOM 1132 CE2 TRP A 68 3.226 -5.096 -6.200 1.00 53.03 C ATOM 1133 CE3 TRP A 68 4.448 -3.193 -5.374 1.00 24.24 C ATOM 1134 CZ2 TRP A 68 2.093 -4.326 -6.413 1.00 31.41 C ATOM 1135 CZ3 TRP A 68 3.319 -2.433 -5.583 1.00 44.24 C ATOM 1136 CH2 TRP A 68 2.156 -3.003 -6.105 1.00 22.11 C ATOM 0 H TRP A 68 9.264 -5.622 -4.754 1.00 53.10 H new ATOM 0 HA TRP A 68 7.604 -5.861 -7.070 1.00 65.00 H new ATOM 0 HB2 TRP A 68 7.061 -6.498 -4.650 1.00 41.42 H new ATOM 0 HB3 TRP A 68 6.854 -4.788 -4.325 1.00 41.42 H new ATOM 0 HD1 TRP A 68 5.158 -7.730 -6.101 1.00 12.03 H new ATOM 0 HE1 TRP A 68 2.750 -7.092 -6.770 1.00 21.14 H new ATOM 0 HE3 TRP A 68 5.348 -2.743 -4.981 1.00 24.24 H new ATOM 0 HZ2 TRP A 68 1.189 -4.763 -6.811 1.00 31.41 H new ATOM 0 HZ3 TRP A 68 3.333 -1.381 -5.340 1.00 44.24 H new ATOM 0 HH2 TRP A 68 1.289 -2.380 -6.267 1.00 22.11 H new ATOM 1147 N ILE A 69 8.280 -2.833 -5.891 1.00 51.12 N ATOM 1148 CA ILE A 69 8.311 -1.401 -6.222 1.00 13.44 C ATOM 1149 C ILE A 69 9.317 -1.140 -7.366 1.00 0.54 C ATOM 1150 O ILE A 69 9.061 -0.290 -8.222 1.00 71.43 O ATOM 1151 CB ILE A 69 8.607 -0.510 -4.939 1.00 23.30 C ATOM 1152 CG1 ILE A 69 7.331 -0.408 -4.022 1.00 11.43 C ATOM 1153 CG2 ILE A 69 9.133 0.902 -5.297 1.00 22.42 C ATOM 1154 CD1 ILE A 69 6.975 -1.666 -3.251 1.00 73.21 C ATOM 0 H ILE A 69 8.745 -3.064 -5.013 1.00 51.12 H new ATOM 0 HA ILE A 69 7.323 -1.105 -6.575 1.00 13.44 H new ATOM 0 HB ILE A 69 9.401 -1.013 -4.388 1.00 23.30 H new ATOM 0 HG12 ILE A 69 7.482 0.403 -3.309 1.00 11.43 H new ATOM 0 HG13 ILE A 69 6.480 -0.132 -4.644 1.00 11.43 H new ATOM 0 HG21 ILE A 69 9.317 1.464 -4.382 1.00 22.42 H new ATOM 0 HG22 ILE A 69 10.061 0.812 -5.861 1.00 22.42 H new ATOM 0 HG23 ILE A 69 8.391 1.424 -5.901 1.00 22.42 H new ATOM 0 HD11 ILE A 69 6.082 -1.486 -2.653 1.00 73.21 H new ATOM 0 HD12 ILE A 69 6.785 -2.480 -3.951 1.00 73.21 H new ATOM 0 HD13 ILE A 69 7.802 -1.937 -2.595 1.00 73.21 H new ATOM 1166 N ASP A 70 10.433 -1.912 -7.399 1.00 30.23 N ATOM 1167 CA ASP A 70 11.447 -1.836 -8.487 1.00 64.11 C ATOM 1168 C ASP A 70 10.792 -2.031 -9.873 1.00 14.14 C ATOM 1169 O ASP A 70 11.051 -1.258 -10.808 1.00 42.42 O ATOM 1170 CB ASP A 70 12.581 -2.885 -8.264 1.00 61.03 C ATOM 1171 CG ASP A 70 13.583 -2.983 -9.439 1.00 33.43 C ATOM 1172 OD1 ASP A 70 14.454 -2.095 -9.575 1.00 15.13 O ATOM 1173 OD2 ASP A 70 13.504 -3.951 -10.233 1.00 24.02 O ATOM 0 H ASP A 70 10.656 -2.600 -6.680 1.00 30.23 H new ATOM 0 HA ASP A 70 11.890 -0.841 -8.460 1.00 64.11 H new ATOM 0 HB2 ASP A 70 13.126 -2.629 -7.355 1.00 61.03 H new ATOM 0 HB3 ASP A 70 12.130 -3.864 -8.101 1.00 61.03 H new ATOM 1178 N LYS A 71 9.910 -3.047 -9.981 1.00 15.30 N ATOM 1179 CA LYS A 71 9.210 -3.354 -11.238 1.00 11.34 C ATOM 1180 C LYS A 71 8.034 -2.389 -11.487 1.00 43.24 C ATOM 1181 O LYS A 71 7.767 -2.065 -12.633 1.00 1.50 O ATOM 1182 CB LYS A 71 8.729 -4.828 -11.291 1.00 1.23 C ATOM 1183 CG LYS A 71 7.694 -5.237 -10.216 1.00 21.12 C ATOM 1184 CD LYS A 71 7.228 -6.710 -10.335 1.00 4.14 C ATOM 1185 CE LYS A 71 8.392 -7.719 -10.344 1.00 4.11 C ATOM 1186 NZ LYS A 71 9.303 -7.549 -9.181 1.00 32.45 N ATOM 0 H LYS A 71 9.668 -3.668 -9.209 1.00 15.30 H new ATOM 0 HA LYS A 71 9.936 -3.214 -12.039 1.00 11.34 H new ATOM 0 HB2 LYS A 71 8.297 -5.014 -12.274 1.00 1.23 H new ATOM 0 HB3 LYS A 71 9.599 -5.478 -11.197 1.00 1.23 H new ATOM 0 HG2 LYS A 71 8.127 -5.080 -9.228 1.00 21.12 H new ATOM 0 HG3 LYS A 71 6.826 -4.582 -10.291 1.00 21.12 H new ATOM 0 HD2 LYS A 71 6.562 -6.941 -9.504 1.00 4.14 H new ATOM 0 HD3 LYS A 71 6.648 -6.827 -11.250 1.00 4.14 H new ATOM 0 HE2 LYS A 71 7.990 -8.732 -10.341 1.00 4.11 H new ATOM 0 HE3 LYS A 71 8.961 -7.604 -11.267 1.00 4.11 H new ATOM 0 HZ1 LYS A 71 10.087 -8.229 -9.252 1.00 32.45 H new ATOM 0 HZ2 LYS A 71 9.683 -6.581 -9.176 1.00 32.45 H new ATOM 0 HZ3 LYS A 71 8.777 -7.718 -8.300 1.00 32.45 H new ATOM 1200 N ILE A 72 7.347 -1.920 -10.420 1.00 20.25 N ATOM 1201 CA ILE A 72 6.212 -0.968 -10.553 1.00 21.32 C ATOM 1202 C ILE A 72 6.677 0.376 -11.148 1.00 42.45 C ATOM 1203 O ILE A 72 5.976 0.965 -11.979 1.00 30.23 O ATOM 1204 CB ILE A 72 5.461 -0.766 -9.175 1.00 22.54 C ATOM 1205 CG1 ILE A 72 4.569 -2.009 -8.859 1.00 24.25 C ATOM 1206 CG2 ILE A 72 4.628 0.546 -9.103 1.00 33.53 C ATOM 1207 CD1 ILE A 72 3.438 -2.267 -9.844 1.00 30.02 C ATOM 0 H ILE A 72 7.556 -2.183 -9.457 1.00 20.25 H new ATOM 0 HA ILE A 72 5.496 -1.404 -11.250 1.00 21.32 H new ATOM 0 HB ILE A 72 6.234 -0.668 -8.413 1.00 22.54 H new ATOM 0 HG12 ILE A 72 5.206 -2.893 -8.823 1.00 24.25 H new ATOM 0 HG13 ILE A 72 4.141 -1.885 -7.864 1.00 24.25 H new ATOM 0 HG21 ILE A 72 4.142 0.616 -8.130 1.00 33.53 H new ATOM 0 HG22 ILE A 72 5.287 1.403 -9.242 1.00 33.53 H new ATOM 0 HG23 ILE A 72 3.871 0.540 -9.887 1.00 33.53 H new ATOM 0 HD11 ILE A 72 2.880 -3.151 -9.534 1.00 30.02 H new ATOM 0 HD12 ILE A 72 2.770 -1.406 -9.865 1.00 30.02 H new ATOM 0 HD13 ILE A 72 3.852 -2.430 -10.839 1.00 30.02 H new ATOM 1219 N LYS A 73 7.873 0.826 -10.737 1.00 43.24 N ATOM 1220 CA LYS A 73 8.507 2.034 -11.299 1.00 2.01 C ATOM 1221 C LYS A 73 8.941 1.794 -12.756 1.00 61.24 C ATOM 1222 O LYS A 73 8.999 2.722 -13.558 1.00 31.13 O ATOM 1223 CB LYS A 73 9.735 2.450 -10.444 1.00 24.54 C ATOM 1224 CG LYS A 73 9.402 2.790 -8.975 1.00 33.55 C ATOM 1225 CD LYS A 73 10.642 3.214 -8.156 1.00 21.15 C ATOM 1226 CE LYS A 73 11.733 2.126 -8.103 1.00 14.53 C ATOM 1227 NZ LYS A 73 12.949 2.601 -7.394 1.00 25.32 N ATOM 0 H LYS A 73 8.426 0.369 -10.012 1.00 43.24 H new ATOM 0 HA LYS A 73 7.774 2.840 -11.282 1.00 2.01 H new ATOM 0 HB2 LYS A 73 10.465 1.641 -10.461 1.00 24.54 H new ATOM 0 HB3 LYS A 73 10.208 3.316 -10.907 1.00 24.54 H new ATOM 0 HG2 LYS A 73 8.666 3.594 -8.952 1.00 33.55 H new ATOM 0 HG3 LYS A 73 8.941 1.922 -8.503 1.00 33.55 H new ATOM 0 HD2 LYS A 73 11.063 4.121 -8.589 1.00 21.15 H new ATOM 0 HD3 LYS A 73 10.332 3.459 -7.140 1.00 21.15 H new ATOM 0 HE2 LYS A 73 11.341 1.242 -7.601 1.00 14.53 H new ATOM 0 HE3 LYS A 73 11.997 1.826 -9.117 1.00 14.53 H new ATOM 0 HZ1 LYS A 73 13.660 1.842 -7.378 1.00 25.32 H new ATOM 0 HZ2 LYS A 73 13.337 3.430 -7.888 1.00 25.32 H new ATOM 0 HZ3 LYS A 73 12.702 2.864 -6.419 1.00 25.32 H new ATOM 1241 N LYS A 74 9.240 0.526 -13.072 1.00 15.11 N ATOM 1242 CA LYS A 74 9.788 0.110 -14.373 1.00 13.43 C ATOM 1243 C LYS A 74 8.669 -0.049 -15.429 1.00 35.01 C ATOM 1244 O LYS A 74 8.901 0.164 -16.627 1.00 12.33 O ATOM 1245 CB LYS A 74 10.559 -1.216 -14.155 1.00 4.13 C ATOM 1246 CG LYS A 74 11.535 -1.634 -15.275 1.00 72.45 C ATOM 1247 CD LYS A 74 12.345 -2.911 -14.901 1.00 35.40 C ATOM 1248 CE LYS A 74 13.038 -2.803 -13.522 1.00 1.44 C ATOM 1249 NZ LYS A 74 13.873 -3.988 -13.212 1.00 71.33 N ATOM 0 H LYS A 74 9.107 -0.250 -12.424 1.00 15.11 H new ATOM 0 HA LYS A 74 10.463 0.873 -14.759 1.00 13.43 H new ATOM 0 HB2 LYS A 74 11.121 -1.135 -13.225 1.00 4.13 H new ATOM 0 HB3 LYS A 74 9.831 -2.016 -14.020 1.00 4.13 H new ATOM 0 HG2 LYS A 74 10.976 -1.816 -16.193 1.00 72.45 H new ATOM 0 HG3 LYS A 74 12.225 -0.815 -15.479 1.00 72.45 H new ATOM 0 HD2 LYS A 74 11.676 -3.772 -14.899 1.00 35.40 H new ATOM 0 HD3 LYS A 74 13.098 -3.094 -15.667 1.00 35.40 H new ATOM 0 HE2 LYS A 74 13.660 -1.908 -13.501 1.00 1.44 H new ATOM 0 HE3 LYS A 74 12.281 -2.683 -12.747 1.00 1.44 H new ATOM 0 HZ1 LYS A 74 13.869 -4.157 -12.186 1.00 71.33 H new ATOM 0 HZ2 LYS A 74 13.489 -4.821 -13.702 1.00 71.33 H new ATOM 0 HZ3 LYS A 74 14.848 -3.818 -13.531 1.00 71.33 H new ATOM 1263 N GLU A 75 7.456 -0.420 -14.967 1.00 1.51 N ATOM 1264 CA GLU A 75 6.269 -0.566 -15.840 1.00 42.40 C ATOM 1265 C GLU A 75 5.545 0.780 -15.961 1.00 25.13 C ATOM 1266 O GLU A 75 5.063 1.161 -17.037 1.00 64.33 O ATOM 1267 CB GLU A 75 5.281 -1.633 -15.274 1.00 40.11 C ATOM 1268 CG GLU A 75 5.900 -3.007 -14.932 1.00 21.41 C ATOM 1269 CD GLU A 75 6.692 -3.645 -16.085 1.00 61.12 C ATOM 1270 OE1 GLU A 75 6.083 -4.329 -16.939 1.00 24.14 O ATOM 1271 OE2 GLU A 75 7.930 -3.475 -16.140 1.00 33.31 O ATOM 0 H GLU A 75 7.271 -0.626 -13.985 1.00 1.51 H new ATOM 0 HA GLU A 75 6.610 -0.895 -16.822 1.00 42.40 H new ATOM 0 HB2 GLU A 75 4.817 -1.230 -14.374 1.00 40.11 H new ATOM 0 HB3 GLU A 75 4.484 -1.785 -16.002 1.00 40.11 H new ATOM 0 HG2 GLU A 75 6.560 -2.892 -14.072 1.00 21.41 H new ATOM 0 HG3 GLU A 75 5.103 -3.688 -14.633 1.00 21.41 H new ATOM 1278 N ARG A 76 5.470 1.486 -14.815 1.00 72.20 N ATOM 1279 CA ARG A 76 4.703 2.734 -14.650 1.00 12.13 C ATOM 1280 C ARG A 76 5.655 3.834 -14.113 1.00 50.12 C ATOM 1281 O ARG A 76 5.661 4.108 -12.914 1.00 42.44 O ATOM 1282 CB ARG A 76 3.508 2.478 -13.664 1.00 12.41 C ATOM 1283 CG ARG A 76 2.642 1.247 -14.026 1.00 51.31 C ATOM 1284 CD ARG A 76 1.602 0.888 -12.950 1.00 0.41 C ATOM 1285 NE ARG A 76 0.943 -0.394 -13.263 1.00 23.13 N ATOM 1286 CZ ARG A 76 0.019 -1.014 -12.513 1.00 2.33 C ATOM 1287 NH1 ARG A 76 -0.390 -0.490 -11.375 1.00 74.23 N ATOM 1288 NH2 ARG A 76 -0.475 -2.169 -12.906 1.00 60.41 N ATOM 0 H ARG A 76 5.951 1.198 -13.963 1.00 72.20 H new ATOM 0 HA ARG A 76 4.291 3.066 -15.603 1.00 12.13 H new ATOM 0 HB2 ARG A 76 3.904 2.347 -12.657 1.00 12.41 H new ATOM 0 HB3 ARG A 76 2.872 3.363 -13.644 1.00 12.41 H new ATOM 0 HG2 ARG A 76 2.127 1.439 -14.967 1.00 51.31 H new ATOM 0 HG3 ARG A 76 3.295 0.389 -14.189 1.00 51.31 H new ATOM 0 HD2 ARG A 76 2.087 0.824 -11.976 1.00 0.41 H new ATOM 0 HD3 ARG A 76 0.855 1.679 -12.882 1.00 0.41 H new ATOM 0 HE ARG A 76 1.216 -0.853 -14.132 1.00 23.13 H new ATOM 0 HH11 ARG A 76 -0.004 0.398 -11.054 1.00 74.23 H new ATOM 0 HH12 ARG A 76 -1.093 -0.972 -10.815 1.00 74.23 H new ATOM 0 HH21 ARG A 76 -0.155 -2.590 -13.778 1.00 60.41 H new ATOM 0 HH22 ARG A 76 -1.177 -2.643 -12.338 1.00 60.41 H new ATOM 1302 N PRO A 77 6.517 4.450 -14.997 1.00 25.03 N ATOM 1303 CA PRO A 77 7.570 5.409 -14.572 1.00 74.22 C ATOM 1304 C PRO A 77 7.122 6.884 -14.509 1.00 72.32 C ATOM 1305 O PRO A 77 7.928 7.756 -14.168 1.00 21.42 O ATOM 1306 CB PRO A 77 8.644 5.189 -15.667 1.00 34.20 C ATOM 1307 CG PRO A 77 7.864 4.889 -16.923 1.00 73.55 C ATOM 1308 CD PRO A 77 6.551 4.240 -16.475 1.00 73.35 C ATOM 0 HA PRO A 77 7.899 5.227 -13.549 1.00 74.22 H new ATOM 0 HB2 PRO A 77 9.268 6.074 -15.792 1.00 34.20 H new ATOM 0 HB3 PRO A 77 9.308 4.365 -15.408 1.00 34.20 H new ATOM 0 HG2 PRO A 77 7.673 5.801 -17.488 1.00 73.55 H new ATOM 0 HG3 PRO A 77 8.424 4.220 -17.577 1.00 73.55 H new ATOM 0 HD2 PRO A 77 5.693 4.703 -16.962 1.00 73.35 H new ATOM 0 HD3 PRO A 77 6.526 3.180 -16.726 1.00 73.35 H new ATOM 1316 N GLN A 78 5.841 7.164 -14.809 1.00 11.22 N ATOM 1317 CA GLN A 78 5.347 8.555 -14.999 1.00 25.23 C ATOM 1318 C GLN A 78 4.845 9.205 -13.689 1.00 75.10 C ATOM 1319 O GLN A 78 4.219 10.267 -13.731 1.00 32.02 O ATOM 1320 CB GLN A 78 4.225 8.577 -16.081 1.00 55.31 C ATOM 1321 CG GLN A 78 4.593 7.890 -17.419 1.00 34.14 C ATOM 1322 CD GLN A 78 5.915 8.354 -18.055 1.00 32.11 C ATOM 1323 OE1 GLN A 78 6.588 7.573 -18.731 1.00 70.10 O ATOM 1324 NE2 GLN A 78 6.287 9.619 -17.881 1.00 10.11 N ATOM 0 H GLN A 78 5.122 6.450 -14.927 1.00 11.22 H new ATOM 0 HA GLN A 78 6.196 9.151 -15.334 1.00 25.23 H new ATOM 0 HB2 GLN A 78 3.338 8.092 -15.673 1.00 55.31 H new ATOM 0 HB3 GLN A 78 3.957 9.614 -16.284 1.00 55.31 H new ATOM 0 HG2 GLN A 78 4.647 6.814 -17.253 1.00 34.14 H new ATOM 0 HG3 GLN A 78 3.786 8.063 -18.131 1.00 34.14 H new ATOM 0 HE21 GLN A 78 5.713 10.246 -17.317 1.00 10.11 H new ATOM 0 HE22 GLN A 78 7.146 9.962 -18.311 1.00 10.11 H new ATOM 1333 N LEU A 79 5.152 8.584 -12.535 1.00 54.54 N ATOM 1334 CA LEU A 79 4.665 9.032 -11.211 1.00 21.43 C ATOM 1335 C LEU A 79 5.676 8.690 -10.096 1.00 1.43 C ATOM 1336 O LEU A 79 6.598 7.891 -10.304 1.00 42.34 O ATOM 1337 CB LEU A 79 3.241 8.429 -10.944 1.00 3.45 C ATOM 1338 CG LEU A 79 2.953 7.003 -11.544 1.00 55.24 C ATOM 1339 CD1 LEU A 79 3.747 5.884 -10.837 1.00 32.32 C ATOM 1340 CD2 LEU A 79 1.440 6.707 -11.571 1.00 1.15 C ATOM 0 H LEU A 79 5.746 7.756 -12.491 1.00 54.54 H new ATOM 0 HA LEU A 79 4.573 10.118 -11.209 1.00 21.43 H new ATOM 0 HB2 LEU A 79 3.088 8.382 -9.866 1.00 3.45 H new ATOM 0 HB3 LEU A 79 2.499 9.121 -11.341 1.00 3.45 H new ATOM 0 HG LEU A 79 3.309 7.017 -12.574 1.00 55.24 H new ATOM 0 HD11 LEU A 79 3.507 4.924 -11.294 1.00 32.32 H new ATOM 0 HD12 LEU A 79 4.815 6.077 -10.937 1.00 32.32 H new ATOM 0 HD13 LEU A 79 3.480 5.860 -9.781 1.00 32.32 H new ATOM 0 HD21 LEU A 79 1.271 5.715 -11.990 1.00 1.15 H new ATOM 0 HD22 LEU A 79 1.044 6.744 -10.556 1.00 1.15 H new ATOM 0 HD23 LEU A 79 0.934 7.452 -12.186 1.00 1.15 H new ATOM 1352 N GLU A 80 5.500 9.319 -8.916 1.00 21.04 N ATOM 1353 CA GLU A 80 6.308 9.018 -7.713 1.00 34.13 C ATOM 1354 C GLU A 80 5.802 7.707 -7.087 1.00 3.05 C ATOM 1355 O GLU A 80 4.635 7.372 -7.244 1.00 35.30 O ATOM 1356 CB GLU A 80 6.211 10.167 -6.667 1.00 44.34 C ATOM 1357 CG GLU A 80 6.315 11.600 -7.233 1.00 40.44 C ATOM 1358 CD GLU A 80 7.578 11.852 -8.065 1.00 24.42 C ATOM 1359 OE1 GLU A 80 8.645 12.105 -7.468 1.00 34.01 O ATOM 1360 OE2 GLU A 80 7.518 11.807 -9.315 1.00 52.33 O ATOM 0 H GLU A 80 4.799 10.045 -8.769 1.00 21.04 H new ATOM 0 HA GLU A 80 7.352 8.919 -8.009 1.00 34.13 H new ATOM 0 HB2 GLU A 80 5.262 10.073 -6.139 1.00 44.34 H new ATOM 0 HB3 GLU A 80 7.002 10.029 -5.929 1.00 44.34 H new ATOM 0 HG2 GLU A 80 5.440 11.800 -7.851 1.00 40.44 H new ATOM 0 HG3 GLU A 80 6.290 12.309 -6.406 1.00 40.44 H new ATOM 1367 N VAL A 81 6.680 6.970 -6.389 1.00 62.31 N ATOM 1368 CA VAL A 81 6.326 5.699 -5.705 1.00 22.04 C ATOM 1369 C VAL A 81 6.985 5.694 -4.312 1.00 4.21 C ATOM 1370 O VAL A 81 8.206 5.847 -4.208 1.00 42.33 O ATOM 1371 CB VAL A 81 6.780 4.418 -6.514 1.00 21.01 C ATOM 1372 CG1 VAL A 81 6.273 3.122 -5.835 1.00 30.32 C ATOM 1373 CG2 VAL A 81 6.324 4.476 -7.995 1.00 13.03 C ATOM 0 H VAL A 81 7.659 7.232 -6.278 1.00 62.31 H new ATOM 0 HA VAL A 81 5.240 5.651 -5.628 1.00 22.04 H new ATOM 0 HB VAL A 81 7.870 4.406 -6.508 1.00 21.01 H new ATOM 0 HG11 VAL A 81 6.600 2.257 -6.412 1.00 30.32 H new ATOM 0 HG12 VAL A 81 6.678 3.058 -4.825 1.00 30.32 H new ATOM 0 HG13 VAL A 81 5.184 3.137 -5.789 1.00 30.32 H new ATOM 0 HG21 VAL A 81 6.657 3.577 -8.514 1.00 13.03 H new ATOM 0 HG22 VAL A 81 5.237 4.539 -8.039 1.00 13.03 H new ATOM 0 HG23 VAL A 81 6.758 5.353 -8.475 1.00 13.03 H new ATOM 1383 N ARG A 82 6.175 5.537 -3.254 1.00 52.35 N ATOM 1384 CA ARG A 82 6.636 5.563 -1.849 1.00 35.10 C ATOM 1385 C ARG A 82 6.341 4.207 -1.180 1.00 11.42 C ATOM 1386 O ARG A 82 5.227 3.694 -1.303 1.00 24.33 O ATOM 1387 CB ARG A 82 5.896 6.711 -1.109 1.00 24.11 C ATOM 1388 CG ARG A 82 6.253 6.904 0.386 1.00 62.20 C ATOM 1389 CD ARG A 82 7.711 7.353 0.622 1.00 42.41 C ATOM 1390 NE ARG A 82 8.076 8.544 -0.171 1.00 63.14 N ATOM 1391 CZ ARG A 82 7.778 9.822 0.130 1.00 44.35 C ATOM 1392 NH1 ARG A 82 7.094 10.138 1.229 1.00 65.44 N ATOM 1393 NH2 ARG A 82 8.175 10.786 -0.679 1.00 24.14 N ATOM 0 H ARG A 82 5.170 5.387 -3.346 1.00 52.35 H new ATOM 0 HA ARG A 82 7.711 5.737 -1.806 1.00 35.10 H new ATOM 0 HB2 ARG A 82 6.101 7.644 -1.633 1.00 24.11 H new ATOM 0 HB3 ARG A 82 4.823 6.532 -1.185 1.00 24.11 H new ATOM 0 HG2 ARG A 82 5.580 7.644 0.819 1.00 62.20 H new ATOM 0 HG3 ARG A 82 6.080 5.967 0.916 1.00 62.20 H new ATOM 0 HD2 ARG A 82 7.853 7.569 1.681 1.00 42.41 H new ATOM 0 HD3 ARG A 82 8.384 6.534 0.370 1.00 42.41 H new ATOM 0 HE ARG A 82 8.604 8.383 -1.029 1.00 63.14 H new ATOM 0 HH11 ARG A 82 6.783 9.404 1.865 1.00 65.44 H new ATOM 0 HH12 ARG A 82 6.881 11.114 1.434 1.00 65.44 H new ATOM 0 HH21 ARG A 82 8.702 10.559 -1.522 1.00 24.14 H new ATOM 0 HH22 ARG A 82 7.955 11.758 -0.461 1.00 24.14 H new ATOM 1407 N LYS A 83 7.345 3.633 -0.479 1.00 71.22 N ATOM 1408 CA LYS A 83 7.155 2.418 0.337 1.00 42.35 C ATOM 1409 C LYS A 83 6.803 2.829 1.767 1.00 15.33 C ATOM 1410 O LYS A 83 7.579 3.522 2.440 1.00 2.31 O ATOM 1411 CB LYS A 83 8.404 1.501 0.365 1.00 74.22 C ATOM 1412 CG LYS A 83 8.814 0.916 -1.004 1.00 1.10 C ATOM 1413 CD LYS A 83 9.653 -0.385 -0.890 1.00 3.43 C ATOM 1414 CE LYS A 83 10.929 -0.231 -0.044 1.00 5.15 C ATOM 1415 NZ LYS A 83 11.858 0.782 -0.604 1.00 21.44 N ATOM 0 H LYS A 83 8.298 3.996 -0.464 1.00 71.22 H new ATOM 0 HA LYS A 83 6.349 1.845 -0.121 1.00 42.35 H new ATOM 0 HB2 LYS A 83 9.244 2.068 0.767 1.00 74.22 H new ATOM 0 HB3 LYS A 83 8.216 0.677 1.054 1.00 74.22 H new ATOM 0 HG2 LYS A 83 7.916 0.711 -1.587 1.00 1.10 H new ATOM 0 HG3 LYS A 83 9.387 1.663 -1.553 1.00 1.10 H new ATOM 0 HD2 LYS A 83 9.033 -1.169 -0.455 1.00 3.43 H new ATOM 0 HD3 LYS A 83 9.930 -0.716 -1.891 1.00 3.43 H new ATOM 0 HE2 LYS A 83 10.656 0.052 0.973 1.00 5.15 H new ATOM 0 HE3 LYS A 83 11.439 -1.192 0.019 1.00 5.15 H new ATOM 0 HZ1 LYS A 83 12.702 0.850 -0.000 1.00 21.44 H new ATOM 0 HZ2 LYS A 83 12.141 0.500 -1.564 1.00 21.44 H new ATOM 0 HZ3 LYS A 83 11.383 1.706 -0.640 1.00 21.44 H new ATOM 1429 N VAL A 84 5.628 2.401 2.216 1.00 55.05 N ATOM 1430 CA VAL A 84 5.130 2.657 3.560 1.00 11.34 C ATOM 1431 C VAL A 84 5.226 1.360 4.368 1.00 3.02 C ATOM 1432 O VAL A 84 4.301 0.554 4.402 1.00 64.14 O ATOM 1433 CB VAL A 84 3.655 3.209 3.477 1.00 0.44 C ATOM 1434 CG1 VAL A 84 2.952 3.271 4.853 1.00 34.22 C ATOM 1435 CG2 VAL A 84 3.644 4.591 2.778 1.00 63.21 C ATOM 0 H VAL A 84 4.983 1.856 1.644 1.00 55.05 H new ATOM 0 HA VAL A 84 5.728 3.416 4.065 1.00 11.34 H new ATOM 0 HB VAL A 84 3.080 2.501 2.880 1.00 0.44 H new ATOM 0 HG11 VAL A 84 1.941 3.659 4.728 1.00 34.22 H new ATOM 0 HG12 VAL A 84 2.906 2.271 5.284 1.00 34.22 H new ATOM 0 HG13 VAL A 84 3.513 3.927 5.519 1.00 34.22 H new ATOM 0 HG21 VAL A 84 2.621 4.964 2.725 1.00 63.21 H new ATOM 0 HG22 VAL A 84 4.257 5.291 3.346 1.00 63.21 H new ATOM 0 HG23 VAL A 84 4.046 4.492 1.770 1.00 63.21 H new ATOM 1445 N THR A 85 6.382 1.157 4.995 1.00 1.31 N ATOM 1446 CA THR A 85 6.650 -0.032 5.822 1.00 2.42 C ATOM 1447 C THR A 85 6.218 0.215 7.279 1.00 44.22 C ATOM 1448 O THR A 85 6.030 -0.730 8.051 1.00 32.21 O ATOM 1449 CB THR A 85 8.166 -0.394 5.752 1.00 2.04 C ATOM 1450 OG1 THR A 85 8.944 0.747 6.157 1.00 22.02 O ATOM 1451 CG2 THR A 85 8.589 -0.827 4.330 1.00 64.40 C ATOM 0 H THR A 85 7.165 1.809 4.948 1.00 1.31 H new ATOM 0 HA THR A 85 6.070 -0.870 5.435 1.00 2.42 H new ATOM 0 HB THR A 85 8.344 -1.235 6.422 1.00 2.04 H new ATOM 0 HG1 THR A 85 8.776 0.938 7.103 1.00 22.02 H new ATOM 0 HG21 THR A 85 9.651 -1.070 4.325 1.00 64.40 H new ATOM 0 HG22 THR A 85 8.014 -1.704 4.031 1.00 64.40 H new ATOM 0 HG23 THR A 85 8.400 -0.013 3.630 1.00 64.40 H new ATOM 1459 N ASP A 86 6.071 1.505 7.629 1.00 22.22 N ATOM 1460 CA ASP A 86 5.668 1.968 8.976 1.00 33.52 C ATOM 1461 C ASP A 86 4.332 2.712 8.900 1.00 23.13 C ATOM 1462 O ASP A 86 3.999 3.295 7.863 1.00 72.22 O ATOM 1463 CB ASP A 86 6.747 2.927 9.560 1.00 1.13 C ATOM 1464 CG ASP A 86 8.129 2.270 9.685 1.00 1.44 C ATOM 1465 OD1 ASP A 86 8.888 2.264 8.691 1.00 22.32 O ATOM 1466 OD2 ASP A 86 8.454 1.738 10.766 1.00 33.15 O ATOM 0 H ASP A 86 6.231 2.271 6.975 1.00 22.22 H new ATOM 0 HA ASP A 86 5.566 1.096 9.622 1.00 33.52 H new ATOM 0 HB2 ASP A 86 6.826 3.808 8.923 1.00 1.13 H new ATOM 0 HB3 ASP A 86 6.425 3.272 10.542 1.00 1.13 H new ATOM 1471 N GLU A 87 3.575 2.680 10.001 1.00 45.04 N ATOM 1472 CA GLU A 87 2.403 3.553 10.220 1.00 31.22 C ATOM 1473 C GLU A 87 2.814 5.048 10.175 1.00 24.21 C ATOM 1474 O GLU A 87 2.050 5.899 9.714 1.00 4.43 O ATOM 1475 CB GLU A 87 1.774 3.196 11.590 1.00 73.14 C ATOM 1476 CG GLU A 87 0.492 3.967 11.956 1.00 51.35 C ATOM 1477 CD GLU A 87 0.064 3.731 13.413 1.00 41.41 C ATOM 1478 OE1 GLU A 87 0.664 4.348 14.321 1.00 13.15 O ATOM 1479 OE2 GLU A 87 -0.866 2.943 13.664 1.00 32.31 O ATOM 0 H GLU A 87 3.755 2.043 10.777 1.00 45.04 H new ATOM 0 HA GLU A 87 1.672 3.393 9.427 1.00 31.22 H new ATOM 0 HB2 GLU A 87 1.550 2.129 11.600 1.00 73.14 H new ATOM 0 HB3 GLU A 87 2.517 3.373 12.368 1.00 73.14 H new ATOM 0 HG2 GLU A 87 0.654 5.033 11.796 1.00 51.35 H new ATOM 0 HG3 GLU A 87 -0.315 3.663 11.289 1.00 51.35 H new ATOM 1486 N ASP A 88 4.037 5.330 10.674 1.00 0.41 N ATOM 1487 CA ASP A 88 4.687 6.657 10.611 1.00 3.54 C ATOM 1488 C ASP A 88 4.825 7.156 9.159 1.00 61.44 C ATOM 1489 O ASP A 88 4.624 8.346 8.885 1.00 2.21 O ATOM 1490 CB ASP A 88 6.077 6.584 11.299 1.00 30.30 C ATOM 1491 CG ASP A 88 6.891 7.881 11.176 1.00 75.45 C ATOM 1492 OD1 ASP A 88 6.483 8.901 11.763 1.00 41.31 O ATOM 1493 OD2 ASP A 88 7.938 7.894 10.488 1.00 30.43 O ATOM 0 H ASP A 88 4.611 4.628 11.141 1.00 0.41 H new ATOM 0 HA ASP A 88 4.057 7.374 11.138 1.00 3.54 H new ATOM 0 HB2 ASP A 88 5.939 6.350 12.355 1.00 30.30 H new ATOM 0 HB3 ASP A 88 6.647 5.764 10.862 1.00 30.30 H new ATOM 1498 N GLN A 89 5.184 6.232 8.247 1.00 43.40 N ATOM 1499 CA GLN A 89 5.250 6.519 6.803 1.00 4.40 C ATOM 1500 C GLN A 89 3.846 6.875 6.275 1.00 2.41 C ATOM 1501 O GLN A 89 3.701 7.813 5.493 1.00 31.40 O ATOM 1502 CB GLN A 89 5.820 5.306 6.018 1.00 72.33 C ATOM 1503 CG GLN A 89 7.289 4.942 6.311 1.00 44.40 C ATOM 1504 CD GLN A 89 8.289 5.949 5.734 1.00 14.50 C ATOM 1505 OE1 GLN A 89 8.667 6.917 6.381 1.00 1.25 O ATOM 1506 NE2 GLN A 89 8.703 5.733 4.495 1.00 53.41 N ATOM 0 H GLN A 89 5.434 5.273 8.489 1.00 43.40 H new ATOM 0 HA GLN A 89 5.919 7.366 6.653 1.00 4.40 H new ATOM 0 HB2 GLN A 89 5.201 4.435 6.234 1.00 72.33 H new ATOM 0 HB3 GLN A 89 5.723 5.510 4.952 1.00 72.33 H new ATOM 0 HG2 GLN A 89 7.432 4.876 7.390 1.00 44.40 H new ATOM 0 HG3 GLN A 89 7.500 3.955 5.901 1.00 44.40 H new ATOM 0 HE21 GLN A 89 8.370 4.917 3.981 1.00 53.41 H new ATOM 0 HE22 GLN A 89 9.355 6.382 4.055 1.00 53.41 H new ATOM 1515 N ALA A 90 2.824 6.119 6.741 1.00 12.13 N ATOM 1516 CA ALA A 90 1.408 6.308 6.340 1.00 63.35 C ATOM 1517 C ALA A 90 0.837 7.667 6.811 1.00 3.11 C ATOM 1518 O ALA A 90 -0.114 8.194 6.219 1.00 52.50 O ATOM 1519 CB ALA A 90 0.551 5.136 6.856 1.00 5.53 C ATOM 0 H ALA A 90 2.958 5.359 7.407 1.00 12.13 H new ATOM 0 HA ALA A 90 1.373 6.320 5.251 1.00 63.35 H new ATOM 0 HB1 ALA A 90 -0.486 5.284 6.556 1.00 5.53 H new ATOM 0 HB2 ALA A 90 0.921 4.202 6.434 1.00 5.53 H new ATOM 0 HB3 ALA A 90 0.612 5.092 7.943 1.00 5.53 H new ATOM 1525 N LYS A 91 1.407 8.199 7.902 1.00 43.32 N ATOM 1526 CA LYS A 91 1.060 9.533 8.428 1.00 42.15 C ATOM 1527 C LYS A 91 1.848 10.655 7.719 1.00 73.13 C ATOM 1528 O LYS A 91 1.308 11.747 7.503 1.00 15.25 O ATOM 1529 CB LYS A 91 1.284 9.563 9.959 1.00 0.30 C ATOM 1530 CG LYS A 91 0.350 8.613 10.740 1.00 22.24 C ATOM 1531 CD LYS A 91 0.724 8.484 12.237 1.00 12.03 C ATOM 1532 CE LYS A 91 -0.220 7.542 13.002 1.00 32.24 C ATOM 1533 NZ LYS A 91 0.257 7.267 14.384 1.00 55.33 N ATOM 0 H LYS A 91 2.123 7.718 8.447 1.00 43.32 H new ATOM 0 HA LYS A 91 0.006 9.720 8.223 1.00 42.15 H new ATOM 0 HB2 LYS A 91 2.319 9.297 10.171 1.00 0.30 H new ATOM 0 HB3 LYS A 91 1.137 10.581 10.319 1.00 0.30 H new ATOM 0 HG2 LYS A 91 -0.675 8.974 10.658 1.00 22.24 H new ATOM 0 HG3 LYS A 91 0.378 7.626 10.279 1.00 22.24 H new ATOM 0 HD2 LYS A 91 1.746 8.116 12.322 1.00 12.03 H new ATOM 0 HD3 LYS A 91 0.701 9.471 12.700 1.00 12.03 H new ATOM 0 HE2 LYS A 91 -1.215 7.984 13.045 1.00 32.24 H new ATOM 0 HE3 LYS A 91 -0.312 6.602 12.458 1.00 32.24 H new ATOM 0 HZ1 LYS A 91 0.433 6.248 14.494 1.00 55.33 H new ATOM 0 HZ2 LYS A 91 1.138 7.791 14.558 1.00 55.33 H new ATOM 0 HZ3 LYS A 91 -0.466 7.569 15.067 1.00 55.33 H new ATOM 1547 N GLN A 92 3.121 10.390 7.356 1.00 64.44 N ATOM 1548 CA GLN A 92 3.993 11.404 6.720 1.00 1.53 C ATOM 1549 C GLN A 92 3.532 11.710 5.285 1.00 10.31 C ATOM 1550 O GLN A 92 3.537 12.872 4.859 1.00 2.41 O ATOM 1551 CB GLN A 92 5.473 10.938 6.723 1.00 51.22 C ATOM 1552 CG GLN A 92 6.486 11.941 6.104 1.00 54.33 C ATOM 1553 CD GLN A 92 6.512 13.303 6.823 1.00 31.12 C ATOM 1554 OE1 GLN A 92 7.263 13.503 7.778 1.00 54.01 O ATOM 1555 NE2 GLN A 92 5.711 14.252 6.355 1.00 55.11 N ATOM 0 H GLN A 92 3.569 9.484 7.492 1.00 64.44 H new ATOM 0 HA GLN A 92 3.917 12.321 7.305 1.00 1.53 H new ATOM 0 HB2 GLN A 92 5.771 10.735 7.752 1.00 51.22 H new ATOM 0 HB3 GLN A 92 5.541 9.996 6.179 1.00 51.22 H new ATOM 0 HG2 GLN A 92 7.484 11.503 6.133 1.00 54.33 H new ATOM 0 HG3 GLN A 92 6.237 12.097 5.054 1.00 54.33 H new ATOM 0 HE21 GLN A 92 5.099 14.058 5.562 1.00 55.11 H new ATOM 0 HE22 GLN A 92 5.707 15.176 6.788 1.00 55.11 H new ATOM 1564 N ILE A 93 3.169 10.646 4.543 1.00 73.42 N ATOM 1565 CA ILE A 93 2.683 10.758 3.150 1.00 23.20 C ATOM 1566 C ILE A 93 1.457 11.681 3.014 1.00 55.22 C ATOM 1567 O ILE A 93 1.271 12.274 1.963 1.00 73.20 O ATOM 1568 CB ILE A 93 2.375 9.362 2.508 1.00 64.43 C ATOM 1569 CG1 ILE A 93 1.320 8.602 3.355 1.00 30.31 C ATOM 1570 CG2 ILE A 93 3.678 8.544 2.342 1.00 44.14 C ATOM 1571 CD1 ILE A 93 1.005 7.203 2.886 1.00 1.14 C ATOM 0 H ILE A 93 3.203 9.687 4.889 1.00 73.42 H new ATOM 0 HA ILE A 93 3.506 11.214 2.600 1.00 23.20 H new ATOM 0 HB ILE A 93 1.954 9.512 1.514 1.00 64.43 H new ATOM 0 HG12 ILE A 93 1.673 8.552 4.385 1.00 30.31 H new ATOM 0 HG13 ILE A 93 0.397 9.182 3.362 1.00 30.31 H new ATOM 0 HG21 ILE A 93 3.446 7.577 1.895 1.00 44.14 H new ATOM 0 HG22 ILE A 93 4.368 9.086 1.696 1.00 44.14 H new ATOM 0 HG23 ILE A 93 4.139 8.391 3.318 1.00 44.14 H new ATOM 0 HD11 ILE A 93 0.258 6.758 3.543 1.00 1.14 H new ATOM 0 HD12 ILE A 93 0.617 7.239 1.868 1.00 1.14 H new ATOM 0 HD13 ILE A 93 1.912 6.599 2.907 1.00 1.14 H new ATOM 1583 N LEU A 94 0.629 11.777 4.077 1.00 3.21 N ATOM 1584 CA LEU A 94 -0.457 12.782 4.155 1.00 44.10 C ATOM 1585 C LEU A 94 0.081 14.188 3.777 1.00 52.12 C ATOM 1586 O LEU A 94 -0.437 14.815 2.856 1.00 31.32 O ATOM 1587 CB LEU A 94 -1.089 12.791 5.573 1.00 50.05 C ATOM 1588 CG LEU A 94 -1.829 11.479 5.997 1.00 10.42 C ATOM 1589 CD1 LEU A 94 -2.123 11.468 7.507 1.00 72.12 C ATOM 1590 CD2 LEU A 94 -3.127 11.270 5.178 1.00 14.02 C ATOM 0 H LEU A 94 0.691 11.170 4.895 1.00 3.21 H new ATOM 0 HA LEU A 94 -1.235 12.512 3.441 1.00 44.10 H new ATOM 0 HB2 LEU A 94 -0.302 12.993 6.300 1.00 50.05 H new ATOM 0 HB3 LEU A 94 -1.796 13.619 5.630 1.00 50.05 H new ATOM 0 HG LEU A 94 -1.162 10.645 5.779 1.00 10.42 H new ATOM 0 HD11 LEU A 94 -2.638 10.544 7.771 1.00 72.12 H new ATOM 0 HD12 LEU A 94 -1.186 11.532 8.061 1.00 72.12 H new ATOM 0 HD13 LEU A 94 -2.754 12.320 7.761 1.00 72.12 H new ATOM 0 HD21 LEU A 94 -3.615 10.350 5.499 1.00 14.02 H new ATOM 0 HD22 LEU A 94 -3.799 12.113 5.340 1.00 14.02 H new ATOM 0 HD23 LEU A 94 -2.881 11.200 4.118 1.00 14.02 H new ATOM 1602 N GLU A 95 1.197 14.599 4.432 1.00 4.31 N ATOM 1603 CA GLU A 95 1.852 15.918 4.202 1.00 64.44 C ATOM 1604 C GLU A 95 2.611 15.935 2.859 1.00 64.21 C ATOM 1605 O GLU A 95 2.680 16.963 2.177 1.00 42.14 O ATOM 1606 CB GLU A 95 2.838 16.242 5.350 1.00 43.43 C ATOM 1607 CG GLU A 95 2.186 16.356 6.738 1.00 14.14 C ATOM 1608 CD GLU A 95 3.200 16.742 7.818 1.00 44.12 C ATOM 1609 OE1 GLU A 95 3.424 17.952 8.046 1.00 32.11 O ATOM 1610 OE2 GLU A 95 3.813 15.838 8.412 1.00 11.22 O ATOM 0 H GLU A 95 1.669 14.029 5.133 1.00 4.31 H new ATOM 0 HA GLU A 95 1.067 16.674 4.173 1.00 64.44 H new ATOM 0 HB2 GLU A 95 3.603 15.466 5.385 1.00 43.43 H new ATOM 0 HB3 GLU A 95 3.345 17.180 5.123 1.00 43.43 H new ATOM 0 HG2 GLU A 95 1.391 17.101 6.705 1.00 14.14 H new ATOM 0 HG3 GLU A 95 1.722 15.405 7.000 1.00 14.14 H new ATOM 1617 N ASP A 96 3.168 14.765 2.506 1.00 74.12 N ATOM 1618 CA ASP A 96 3.954 14.558 1.271 1.00 10.32 C ATOM 1619 C ASP A 96 3.077 14.815 0.026 1.00 52.10 C ATOM 1620 O ASP A 96 3.565 15.280 -1.009 1.00 14.33 O ATOM 1621 CB ASP A 96 4.535 13.125 1.265 1.00 51.24 C ATOM 1622 CG ASP A 96 5.417 12.792 0.053 1.00 3.41 C ATOM 1623 OD1 ASP A 96 6.571 13.267 0.001 1.00 45.01 O ATOM 1624 OD2 ASP A 96 4.970 12.039 -0.842 1.00 5.15 O ATOM 0 H ASP A 96 3.086 13.923 3.076 1.00 74.12 H new ATOM 0 HA ASP A 96 4.781 15.267 1.242 1.00 10.32 H new ATOM 0 HB2 ASP A 96 5.121 12.982 2.173 1.00 51.24 H new ATOM 0 HB3 ASP A 96 3.710 12.414 1.303 1.00 51.24 H new ATOM 1629 N LEU A 97 1.772 14.523 0.157 1.00 70.22 N ATOM 1630 CA LEU A 97 0.762 14.790 -0.879 1.00 23.14 C ATOM 1631 C LEU A 97 0.345 16.278 -0.887 1.00 41.24 C ATOM 1632 O LEU A 97 0.058 16.820 -1.950 1.00 41.01 O ATOM 1633 CB LEU A 97 -0.487 13.875 -0.677 1.00 41.23 C ATOM 1634 CG LEU A 97 -0.453 12.469 -1.368 1.00 54.22 C ATOM 1635 CD1 LEU A 97 0.756 11.606 -0.956 1.00 3.23 C ATOM 1636 CD2 LEU A 97 -1.763 11.725 -1.100 1.00 63.41 C ATOM 0 H LEU A 97 1.385 14.090 0.995 1.00 70.22 H new ATOM 0 HA LEU A 97 1.210 14.562 -1.846 1.00 23.14 H new ATOM 0 HB2 LEU A 97 -0.628 13.724 0.393 1.00 41.23 H new ATOM 0 HB3 LEU A 97 -1.363 14.411 -1.041 1.00 41.23 H new ATOM 0 HG LEU A 97 -0.340 12.649 -2.437 1.00 54.22 H new ATOM 0 HD11 LEU A 97 0.712 10.648 -1.474 1.00 3.23 H new ATOM 0 HD12 LEU A 97 1.679 12.121 -1.223 1.00 3.23 H new ATOM 0 HD13 LEU A 97 0.733 11.438 0.121 1.00 3.23 H new ATOM 0 HD21 LEU A 97 -1.732 10.749 -1.583 1.00 63.41 H new ATOM 0 HD22 LEU A 97 -1.894 11.594 -0.026 1.00 63.41 H new ATOM 0 HD23 LEU A 97 -2.597 12.302 -1.500 1.00 63.41 H new ATOM 1648 N LYS A 98 0.312 16.928 0.300 1.00 34.31 N ATOM 1649 CA LYS A 98 -0.183 18.330 0.421 1.00 34.41 C ATOM 1650 C LYS A 98 0.831 19.338 -0.159 1.00 11.13 C ATOM 1651 O LYS A 98 0.442 20.358 -0.742 1.00 72.04 O ATOM 1652 CB LYS A 98 -0.523 18.707 1.889 1.00 21.03 C ATOM 1653 CG LYS A 98 -1.452 17.717 2.631 1.00 43.41 C ATOM 1654 CD LYS A 98 -2.803 17.389 1.925 1.00 74.13 C ATOM 1655 CE LYS A 98 -3.869 18.500 2.052 1.00 60.34 C ATOM 1656 NZ LYS A 98 -3.555 19.713 1.250 1.00 63.23 N ATOM 0 H LYS A 98 0.617 16.515 1.181 1.00 34.31 H new ATOM 0 HA LYS A 98 -1.103 18.382 -0.162 1.00 34.41 H new ATOM 0 HB2 LYS A 98 0.408 18.794 2.449 1.00 21.03 H new ATOM 0 HB3 LYS A 98 -0.991 19.691 1.894 1.00 21.03 H new ATOM 0 HG2 LYS A 98 -0.909 16.784 2.784 1.00 43.41 H new ATOM 0 HG3 LYS A 98 -1.670 18.124 3.618 1.00 43.41 H new ATOM 0 HD2 LYS A 98 -2.612 17.203 0.868 1.00 74.13 H new ATOM 0 HD3 LYS A 98 -3.204 16.466 2.344 1.00 74.13 H new ATOM 0 HE2 LYS A 98 -4.835 18.105 1.737 1.00 60.34 H new ATOM 0 HE3 LYS A 98 -3.967 18.782 3.100 1.00 60.34 H new ATOM 0 HZ1 LYS A 98 -4.439 20.144 0.912 1.00 63.23 H new ATOM 0 HZ2 LYS A 98 -3.040 20.396 1.841 1.00 63.23 H new ATOM 0 HZ3 LYS A 98 -2.966 19.447 0.435 1.00 63.23 H new