USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=22 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 Set 1.1: A 85 THR OG1 : rot 70:sc= 0.279 USER MOD Set 1.2: A 89 GLN : amide:sc= 0.59 K(o=0.87,f=-4.4!) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0.9 (180deg=0.659) USER MOD Single : A 10 SER OG : rot -110:sc= -0.0795 USER MOD Single : A 11 SER OG : rot 28:sc= 0.0947 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.203 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0239) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 1.45 (180deg=1.4) USER MOD Single : A 31 TYR OH : rot 30:sc= 0.584 USER MOD Single : A 35 LYS NZ :NH3+ -137:sc= 0.657 (180deg=-0.722) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0552) USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= -0.267 (180deg=-1.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.064 F(o=-1.5!,f=-0.064) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 0.0506 (180deg=0.0172) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.26) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0.623 (180deg=0.529) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00412) USER MOD Single : A 67 LYS NZ :NH3+ 166:sc= 0.432 (180deg=0.342) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -1.01 (180deg=-3!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00405) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= 0.305 (180deg=-0.0659) USER MOD Single : A 92 GLN : amide:sc= 0.19 X(o=0.19,f=-0.025) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 0.539 10.309 -8.120 1.00 31.03 N ATOM 39 CA LYS A 4 1.429 9.666 -7.147 1.00 11.14 C ATOM 40 C LYS A 4 0.726 8.442 -6.584 1.00 31.34 C ATOM 41 O LYS A 4 -0.399 8.543 -6.114 1.00 70.43 O ATOM 42 CB LYS A 4 1.768 10.663 -6.001 1.00 1.51 C ATOM 43 CG LYS A 4 2.610 10.074 -4.833 1.00 72.41 C ATOM 44 CD LYS A 4 2.960 11.130 -3.759 1.00 74.32 C ATOM 45 CE LYS A 4 3.841 12.268 -4.302 1.00 2.33 C ATOM 46 NZ LYS A 4 4.042 13.339 -3.296 1.00 61.43 N ATOM 0 HA LYS A 4 2.359 9.367 -7.631 1.00 11.14 H new ATOM 0 HB2 LYS A 4 2.309 11.509 -6.426 1.00 1.51 H new ATOM 0 HB3 LYS A 4 0.835 11.053 -5.594 1.00 1.51 H new ATOM 0 HG2 LYS A 4 2.058 9.258 -4.368 1.00 72.41 H new ATOM 0 HG3 LYS A 4 3.531 9.649 -5.232 1.00 72.41 H new ATOM 0 HD2 LYS A 4 2.038 11.551 -3.357 1.00 74.32 H new ATOM 0 HD3 LYS A 4 3.475 10.642 -2.931 1.00 74.32 H new ATOM 0 HE2 LYS A 4 4.809 11.866 -4.603 1.00 2.33 H new ATOM 0 HE3 LYS A 4 3.380 12.690 -5.195 1.00 2.33 H new ATOM 0 HZ1 LYS A 4 4.840 13.941 -3.584 1.00 61.43 H new ATOM 0 HZ2 LYS A 4 3.180 13.917 -3.227 1.00 61.43 H new ATOM 0 HZ3 LYS A 4 4.248 12.912 -2.370 1.00 61.43 H new ATOM 60 N ILE A 5 1.380 7.290 -6.641 1.00 72.40 N ATOM 61 CA ILE A 5 0.943 6.104 -5.915 1.00 23.30 C ATOM 62 C ILE A 5 1.761 5.990 -4.637 1.00 14.14 C ATOM 63 O ILE A 5 2.952 6.340 -4.590 1.00 64.01 O ATOM 64 CB ILE A 5 1.065 4.770 -6.747 1.00 14.34 C ATOM 65 CG1 ILE A 5 2.556 4.409 -7.066 1.00 74.00 C ATOM 66 CG2 ILE A 5 0.213 4.869 -8.029 1.00 12.32 C ATOM 67 CD1 ILE A 5 2.770 3.032 -7.673 1.00 4.00 C ATOM 0 H ILE A 5 2.228 7.151 -7.191 1.00 72.40 H new ATOM 0 HA ILE A 5 -0.118 6.228 -5.699 1.00 23.30 H new ATOM 0 HB ILE A 5 0.678 3.953 -6.138 1.00 14.34 H new ATOM 0 HG12 ILE A 5 2.956 5.157 -7.750 1.00 74.00 H new ATOM 0 HG13 ILE A 5 3.135 4.477 -6.145 1.00 74.00 H new ATOM 0 HG21 ILE A 5 0.303 3.944 -8.598 1.00 12.32 H new ATOM 0 HG22 ILE A 5 -0.831 5.030 -7.760 1.00 12.32 H new ATOM 0 HG23 ILE A 5 0.564 5.704 -8.636 1.00 12.32 H new ATOM 0 HD11 ILE A 5 3.833 2.877 -7.857 1.00 4.00 H new ATOM 0 HD12 ILE A 5 2.406 2.270 -6.984 1.00 4.00 H new ATOM 0 HD13 ILE A 5 2.225 2.960 -8.614 1.00 4.00 H new ATOM 79 N ILE A 6 1.094 5.547 -3.597 1.00 24.34 N ATOM 80 CA ILE A 6 1.731 5.165 -2.355 1.00 31.44 C ATOM 81 C ILE A 6 1.531 3.661 -2.197 1.00 52.21 C ATOM 82 O ILE A 6 0.442 3.145 -2.449 1.00 4.23 O ATOM 83 CB ILE A 6 1.136 5.921 -1.121 1.00 5.31 C ATOM 84 CG1 ILE A 6 1.224 7.479 -1.305 1.00 61.14 C ATOM 85 CG2 ILE A 6 1.848 5.470 0.175 1.00 33.32 C ATOM 86 CD1 ILE A 6 2.622 8.058 -1.330 1.00 61.54 C ATOM 0 H ILE A 6 0.080 5.440 -3.588 1.00 24.34 H new ATOM 0 HA ILE A 6 2.788 5.430 -2.393 1.00 31.44 H new ATOM 0 HB ILE A 6 0.079 5.666 -1.042 1.00 5.31 H new ATOM 0 HG12 ILE A 6 0.723 7.745 -2.236 1.00 61.14 H new ATOM 0 HG13 ILE A 6 0.668 7.954 -0.497 1.00 61.14 H new ATOM 0 HG21 ILE A 6 1.425 6.003 1.027 1.00 33.32 H new ATOM 0 HG22 ILE A 6 1.709 4.398 0.312 1.00 33.32 H new ATOM 0 HG23 ILE A 6 2.913 5.691 0.101 1.00 33.32 H new ATOM 0 HD11 ILE A 6 2.566 9.139 -1.461 1.00 61.54 H new ATOM 0 HD12 ILE A 6 3.126 7.832 -0.390 1.00 61.54 H new ATOM 0 HD13 ILE A 6 3.182 7.621 -2.156 1.00 61.54 H new ATOM 98 N VAL A 7 2.587 2.979 -1.785 1.00 1.54 N ATOM 99 CA VAL A 7 2.587 1.541 -1.583 1.00 64.53 C ATOM 100 C VAL A 7 2.704 1.292 -0.079 1.00 73.21 C ATOM 101 O VAL A 7 3.774 1.467 0.501 1.00 13.43 O ATOM 102 CB VAL A 7 3.747 0.839 -2.368 1.00 63.03 C ATOM 103 CG1 VAL A 7 3.675 -0.686 -2.178 1.00 24.11 C ATOM 104 CG2 VAL A 7 3.722 1.219 -3.873 1.00 72.22 C ATOM 0 H VAL A 7 3.484 3.418 -1.578 1.00 1.54 H new ATOM 0 HA VAL A 7 1.663 1.112 -1.971 1.00 64.53 H new ATOM 0 HB VAL A 7 4.695 1.191 -1.961 1.00 63.03 H new ATOM 0 HG11 VAL A 7 4.487 -1.160 -2.729 1.00 24.11 H new ATOM 0 HG12 VAL A 7 3.767 -0.925 -1.119 1.00 24.11 H new ATOM 0 HG13 VAL A 7 2.720 -1.054 -2.551 1.00 24.11 H new ATOM 0 HG21 VAL A 7 4.539 0.715 -4.389 1.00 72.22 H new ATOM 0 HG22 VAL A 7 2.772 0.911 -4.310 1.00 72.22 H new ATOM 0 HG23 VAL A 7 3.837 2.298 -3.978 1.00 72.22 H new ATOM 114 N ILE A 8 1.581 0.908 0.540 1.00 24.32 N ATOM 115 CA ILE A 8 1.474 0.775 1.994 1.00 34.14 C ATOM 116 C ILE A 8 1.489 -0.709 2.366 1.00 71.14 C ATOM 117 O ILE A 8 0.659 -1.488 1.907 1.00 64.02 O ATOM 118 CB ILE A 8 0.190 1.488 2.559 1.00 61.44 C ATOM 119 CG1 ILE A 8 0.263 3.024 2.274 1.00 40.23 C ATOM 120 CG2 ILE A 8 0.002 1.196 4.068 1.00 71.40 C ATOM 121 CD1 ILE A 8 -0.873 3.856 2.844 1.00 14.02 C ATOM 0 H ILE A 8 0.720 0.681 0.043 1.00 24.32 H new ATOM 0 HA ILE A 8 2.330 1.272 2.450 1.00 34.14 H new ATOM 0 HB ILE A 8 -0.685 1.086 2.048 1.00 61.44 H new ATOM 0 HG12 ILE A 8 1.203 3.404 2.674 1.00 40.23 H new ATOM 0 HG13 ILE A 8 0.292 3.173 1.195 1.00 40.23 H new ATOM 0 HG21 ILE A 8 -0.893 1.703 4.428 1.00 71.40 H new ATOM 0 HG22 ILE A 8 -0.103 0.122 4.220 1.00 71.40 H new ATOM 0 HG23 ILE A 8 0.870 1.558 4.619 1.00 71.40 H new ATOM 0 HD11 ILE A 8 -0.721 4.904 2.587 1.00 14.02 H new ATOM 0 HD12 ILE A 8 -1.820 3.513 2.427 1.00 14.02 H new ATOM 0 HD13 ILE A 8 -0.894 3.748 3.928 1.00 14.02 H new ATOM 133 N ILE A 9 2.420 -1.052 3.250 1.00 14.12 N ATOM 134 CA ILE A 9 2.667 -2.418 3.687 1.00 60.43 C ATOM 135 C ILE A 9 1.865 -2.614 4.978 1.00 54.44 C ATOM 136 O ILE A 9 2.326 -2.257 6.070 1.00 62.11 O ATOM 137 CB ILE A 9 4.209 -2.730 3.911 1.00 3.12 C ATOM 138 CG1 ILE A 9 5.042 -2.603 2.574 1.00 51.12 C ATOM 139 CG2 ILE A 9 4.394 -4.146 4.530 1.00 74.33 C ATOM 140 CD1 ILE A 9 5.265 -1.189 2.041 1.00 54.54 C ATOM 0 H ILE A 9 3.037 -0.371 3.692 1.00 14.12 H new ATOM 0 HA ILE A 9 2.352 -3.116 2.911 1.00 60.43 H new ATOM 0 HB ILE A 9 4.592 -1.983 4.606 1.00 3.12 H new ATOM 0 HG12 ILE A 9 6.016 -3.065 2.734 1.00 51.12 H new ATOM 0 HG13 ILE A 9 4.537 -3.183 1.801 1.00 51.12 H new ATOM 0 HG21 ILE A 9 5.456 -4.343 4.677 1.00 74.33 H new ATOM 0 HG22 ILE A 9 3.880 -4.193 5.490 1.00 74.33 H new ATOM 0 HG23 ILE A 9 3.976 -4.895 3.857 1.00 74.33 H new ATOM 0 HD11 ILE A 9 5.849 -1.235 1.121 1.00 54.54 H new ATOM 0 HD12 ILE A 9 4.302 -0.721 1.837 1.00 54.54 H new ATOM 0 HD13 ILE A 9 5.804 -0.601 2.784 1.00 54.54 H new ATOM 152 N SER A 10 0.636 -3.128 4.829 1.00 11.32 N ATOM 153 CA SER A 10 -0.295 -3.290 5.947 1.00 4.32 C ATOM 154 C SER A 10 -0.003 -4.640 6.619 1.00 31.11 C ATOM 155 O SER A 10 -0.309 -5.709 6.074 1.00 53.10 O ATOM 156 CB SER A 10 -1.747 -3.200 5.439 1.00 20.13 C ATOM 157 OG SER A 10 -1.981 -1.953 4.800 1.00 65.11 O ATOM 0 H SER A 10 0.263 -3.441 3.933 1.00 11.32 H new ATOM 0 HA SER A 10 -0.165 -2.495 6.681 1.00 4.32 H new ATOM 0 HB2 SER A 10 -1.944 -4.014 4.741 1.00 20.13 H new ATOM 0 HB3 SER A 10 -2.437 -3.321 6.274 1.00 20.13 H new ATOM 0 HG SER A 10 -2.579 -1.409 5.354 1.00 65.11 H new ATOM 163 N SER A 11 0.663 -4.558 7.771 1.00 63.33 N ATOM 164 CA SER A 11 1.086 -5.713 8.553 1.00 61.10 C ATOM 165 C SER A 11 0.683 -5.495 10.016 1.00 71.02 C ATOM 166 O SER A 11 1.038 -4.453 10.593 1.00 24.43 O ATOM 167 CB SER A 11 2.614 -5.885 8.426 1.00 44.14 C ATOM 168 OG SER A 11 3.312 -4.673 8.657 1.00 70.52 O ATOM 0 H SER A 11 0.927 -3.668 8.192 1.00 63.33 H new ATOM 0 HA SER A 11 0.605 -6.619 8.184 1.00 61.10 H new ATOM 0 HB2 SER A 11 2.953 -6.638 9.137 1.00 44.14 H new ATOM 0 HB3 SER A 11 2.854 -6.256 7.430 1.00 44.14 H new ATOM 0 HG SER A 11 2.786 -4.101 9.255 1.00 70.52 H new ATOM 174 N ASP A 12 -0.100 -6.454 10.562 1.00 20.11 N ATOM 175 CA ASP A 12 -0.539 -6.514 11.978 1.00 13.04 C ATOM 176 C ASP A 12 -1.693 -5.526 12.293 1.00 50.44 C ATOM 177 O ASP A 12 -2.752 -5.932 12.790 1.00 1.54 O ATOM 178 CB ASP A 12 0.667 -6.337 12.955 1.00 33.22 C ATOM 179 CG ASP A 12 0.281 -6.435 14.439 1.00 42.24 C ATOM 180 OD1 ASP A 12 0.065 -7.563 14.936 1.00 20.12 O ATOM 181 OD2 ASP A 12 0.153 -5.383 15.113 1.00 4.41 O ATOM 0 H ASP A 12 -0.456 -7.235 10.011 1.00 20.11 H new ATOM 0 HA ASP A 12 -0.948 -7.512 12.137 1.00 13.04 H new ATOM 0 HB2 ASP A 12 1.417 -7.096 12.733 1.00 33.22 H new ATOM 0 HB3 ASP A 12 1.131 -5.368 12.773 1.00 33.22 H new ATOM 186 N ASP A 13 -1.478 -4.239 11.987 1.00 70.44 N ATOM 187 CA ASP A 13 -2.401 -3.140 12.341 1.00 62.40 C ATOM 188 C ASP A 13 -3.160 -2.621 11.093 1.00 34.45 C ATOM 189 O ASP A 13 -2.689 -2.774 9.956 1.00 65.11 O ATOM 190 CB ASP A 13 -1.579 -2.017 13.025 1.00 53.30 C ATOM 191 CG ASP A 13 -2.429 -0.818 13.474 1.00 53.15 C ATOM 192 OD1 ASP A 13 -3.192 -0.951 14.457 1.00 1.52 O ATOM 193 OD2 ASP A 13 -2.369 0.245 12.825 1.00 52.43 O ATOM 0 H ASP A 13 -0.650 -3.923 11.481 1.00 70.44 H new ATOM 0 HA ASP A 13 -3.162 -3.501 13.032 1.00 62.40 H new ATOM 0 HB2 ASP A 13 -1.064 -2.432 13.892 1.00 53.30 H new ATOM 0 HB3 ASP A 13 -0.811 -1.669 12.335 1.00 53.30 H new ATOM 198 N THR A 14 -4.323 -1.986 11.343 1.00 53.53 N ATOM 199 CA THR A 14 -5.312 -1.597 10.319 1.00 31.33 C ATOM 200 C THR A 14 -5.337 -0.064 10.051 1.00 54.15 C ATOM 201 O THR A 14 -5.890 0.377 9.029 1.00 32.20 O ATOM 202 CB THR A 14 -6.720 -2.137 10.763 1.00 51.14 C ATOM 203 OG1 THR A 14 -6.654 -3.568 10.816 1.00 41.54 O ATOM 204 CG2 THR A 14 -7.882 -1.740 9.837 1.00 4.40 C ATOM 0 H THR A 14 -4.607 -1.723 12.287 1.00 53.53 H new ATOM 0 HA THR A 14 -5.026 -2.044 9.367 1.00 31.33 H new ATOM 0 HB THR A 14 -6.933 -1.684 11.731 1.00 51.14 H new ATOM 0 HG1 THR A 14 -7.523 -3.926 11.093 1.00 41.54 H new ATOM 0 HG21 THR A 14 -8.813 -2.157 10.222 1.00 4.40 H new ATOM 0 HG22 THR A 14 -7.960 -0.654 9.797 1.00 4.40 H new ATOM 0 HG23 THR A 14 -7.698 -2.128 8.835 1.00 4.40 H new ATOM 212 N THR A 15 -4.703 0.749 10.927 1.00 32.24 N ATOM 213 CA THR A 15 -4.687 2.229 10.758 1.00 22.22 C ATOM 214 C THR A 15 -4.022 2.628 9.417 1.00 53.11 C ATOM 215 O THR A 15 -4.421 3.610 8.795 1.00 4.24 O ATOM 216 CB THR A 15 -3.965 2.960 11.934 1.00 74.11 C ATOM 217 OG1 THR A 15 -4.423 2.432 13.188 1.00 24.22 O ATOM 218 CG2 THR A 15 -4.200 4.488 11.914 1.00 35.13 C ATOM 0 H THR A 15 -4.200 0.415 11.749 1.00 32.24 H new ATOM 0 HA THR A 15 -5.730 2.546 10.757 1.00 22.22 H new ATOM 0 HB THR A 15 -2.896 2.785 11.811 1.00 74.11 H new ATOM 0 HG1 THR A 15 -3.927 1.613 13.399 1.00 24.22 H new ATOM 0 HG21 THR A 15 -3.676 4.948 12.752 1.00 35.13 H new ATOM 0 HG22 THR A 15 -3.822 4.902 10.979 1.00 35.13 H new ATOM 0 HG23 THR A 15 -5.267 4.693 11.996 1.00 35.13 H new ATOM 226 N LEU A 16 -3.057 1.808 8.968 1.00 22.33 N ATOM 227 CA LEU A 16 -2.350 1.998 7.681 1.00 10.40 C ATOM 228 C LEU A 16 -3.343 1.919 6.495 1.00 14.15 C ATOM 229 O LEU A 16 -3.235 2.680 5.525 1.00 3.21 O ATOM 230 CB LEU A 16 -1.219 0.947 7.490 1.00 23.23 C ATOM 231 CG LEU A 16 -0.008 1.033 8.482 1.00 71.01 C ATOM 232 CD1 LEU A 16 -0.350 0.448 9.870 1.00 11.40 C ATOM 233 CD2 LEU A 16 1.252 0.369 7.885 1.00 61.45 C ATOM 0 H LEU A 16 -2.741 0.989 9.487 1.00 22.33 H new ATOM 0 HA LEU A 16 -1.896 2.989 7.703 1.00 10.40 H new ATOM 0 HB2 LEU A 16 -1.659 -0.047 7.575 1.00 23.23 H new ATOM 0 HB3 LEU A 16 -0.835 1.040 6.474 1.00 23.23 H new ATOM 0 HG LEU A 16 0.210 2.091 8.630 1.00 71.01 H new ATOM 0 HD11 LEU A 16 0.519 0.529 10.523 1.00 11.40 H new ATOM 0 HD12 LEU A 16 -1.183 1.002 10.303 1.00 11.40 H new ATOM 0 HD13 LEU A 16 -0.628 -0.601 9.764 1.00 11.40 H new ATOM 0 HD21 LEU A 16 2.075 0.445 8.596 1.00 61.45 H new ATOM 0 HD22 LEU A 16 1.046 -0.681 7.678 1.00 61.45 H new ATOM 0 HD23 LEU A 16 1.525 0.874 6.959 1.00 61.45 H new ATOM 245 N GLU A 17 -4.306 0.985 6.616 1.00 62.12 N ATOM 246 CA GLU A 17 -5.383 0.766 5.632 1.00 63.03 C ATOM 247 C GLU A 17 -6.369 1.955 5.642 1.00 13.04 C ATOM 248 O GLU A 17 -6.829 2.404 4.585 1.00 15.42 O ATOM 249 CB GLU A 17 -6.121 -0.557 5.978 1.00 35.13 C ATOM 250 CG GLU A 17 -5.189 -1.792 6.085 1.00 40.33 C ATOM 251 CD GLU A 17 -5.846 -3.015 6.747 1.00 55.33 C ATOM 252 OE1 GLU A 17 -7.005 -3.337 6.406 1.00 73.22 O ATOM 253 OE2 GLU A 17 -5.208 -3.657 7.620 1.00 54.12 O ATOM 0 H GLU A 17 -4.358 0.351 7.414 1.00 62.12 H new ATOM 0 HA GLU A 17 -4.955 0.691 4.632 1.00 63.03 H new ATOM 0 HB2 GLU A 17 -6.648 -0.430 6.924 1.00 35.13 H new ATOM 0 HB3 GLU A 17 -6.876 -0.750 5.216 1.00 35.13 H new ATOM 0 HG2 GLU A 17 -4.853 -2.069 5.086 1.00 40.33 H new ATOM 0 HG3 GLU A 17 -4.301 -1.516 6.654 1.00 40.33 H new ATOM 260 N GLU A 18 -6.657 2.470 6.857 1.00 30.12 N ATOM 261 CA GLU A 18 -7.600 3.587 7.073 1.00 15.33 C ATOM 262 C GLU A 18 -7.044 4.908 6.504 1.00 55.04 C ATOM 263 O GLU A 18 -7.788 5.703 5.913 1.00 12.12 O ATOM 264 CB GLU A 18 -7.906 3.742 8.589 1.00 42.34 C ATOM 265 CG GLU A 18 -8.600 2.518 9.226 1.00 72.02 C ATOM 266 CD GLU A 18 -9.948 2.184 8.560 1.00 65.21 C ATOM 267 OE1 GLU A 18 -10.895 2.998 8.670 1.00 5.41 O ATOM 268 OE2 GLU A 18 -10.061 1.124 7.897 1.00 63.31 O ATOM 0 H GLU A 18 -6.239 2.120 7.719 1.00 30.12 H new ATOM 0 HA GLU A 18 -8.524 3.356 6.543 1.00 15.33 H new ATOM 0 HB2 GLU A 18 -6.972 3.932 9.119 1.00 42.34 H new ATOM 0 HB3 GLU A 18 -8.538 4.619 8.732 1.00 42.34 H new ATOM 0 HG2 GLU A 18 -7.940 1.653 9.154 1.00 72.02 H new ATOM 0 HG3 GLU A 18 -8.761 2.709 10.287 1.00 72.02 H new ATOM 275 N LEU A 19 -5.722 5.109 6.677 1.00 10.33 N ATOM 276 CA LEU A 19 -5.012 6.302 6.191 1.00 24.22 C ATOM 277 C LEU A 19 -4.915 6.276 4.658 1.00 23.44 C ATOM 278 O LEU A 19 -5.087 7.310 4.014 1.00 2.24 O ATOM 279 CB LEU A 19 -3.599 6.403 6.838 1.00 74.04 C ATOM 280 CG LEU A 19 -3.592 6.622 8.385 1.00 62.03 C ATOM 281 CD1 LEU A 19 -2.170 6.549 8.970 1.00 42.43 C ATOM 282 CD2 LEU A 19 -4.285 7.943 8.774 1.00 63.54 C ATOM 0 H LEU A 19 -5.118 4.444 7.160 1.00 10.33 H new ATOM 0 HA LEU A 19 -5.578 7.187 6.483 1.00 24.22 H new ATOM 0 HB2 LEU A 19 -3.048 5.490 6.614 1.00 74.04 H new ATOM 0 HB3 LEU A 19 -3.059 7.225 6.368 1.00 74.04 H new ATOM 0 HG LEU A 19 -4.166 5.805 8.822 1.00 62.03 H new ATOM 0 HD11 LEU A 19 -2.211 6.707 10.048 1.00 42.43 H new ATOM 0 HD12 LEU A 19 -1.741 5.568 8.763 1.00 42.43 H new ATOM 0 HD13 LEU A 19 -1.549 7.320 8.514 1.00 42.43 H new ATOM 0 HD21 LEU A 19 -4.261 8.061 9.857 1.00 63.54 H new ATOM 0 HD22 LEU A 19 -3.764 8.779 8.306 1.00 63.54 H new ATOM 0 HD23 LEU A 19 -5.320 7.925 8.434 1.00 63.54 H new ATOM 294 N ALA A 20 -4.686 5.059 4.101 1.00 33.15 N ATOM 295 CA ALA A 20 -4.569 4.811 2.644 1.00 23.45 C ATOM 296 C ALA A 20 -5.754 5.395 1.850 1.00 53.44 C ATOM 297 O ALA A 20 -5.566 5.941 0.755 1.00 53.32 O ATOM 298 CB ALA A 20 -4.450 3.296 2.379 1.00 53.53 C ATOM 0 H ALA A 20 -4.576 4.213 4.660 1.00 33.15 H new ATOM 0 HA ALA A 20 -3.669 5.320 2.299 1.00 23.45 H new ATOM 0 HB1 ALA A 20 -4.364 3.120 1.307 1.00 53.53 H new ATOM 0 HB2 ALA A 20 -3.565 2.907 2.883 1.00 53.53 H new ATOM 0 HB3 ALA A 20 -5.337 2.789 2.760 1.00 53.53 H new ATOM 304 N ARG A 21 -6.963 5.291 2.445 1.00 22.24 N ATOM 305 CA ARG A 21 -8.230 5.766 1.848 1.00 11.54 C ATOM 306 C ARG A 21 -8.207 7.291 1.638 1.00 63.54 C ATOM 307 O ARG A 21 -8.760 7.798 0.658 1.00 13.33 O ATOM 308 CB ARG A 21 -9.420 5.334 2.756 1.00 24.14 C ATOM 309 CG ARG A 21 -10.830 5.536 2.150 1.00 63.31 C ATOM 310 CD ARG A 21 -11.062 4.720 0.854 1.00 72.04 C ATOM 311 NE ARG A 21 -12.483 4.738 0.438 1.00 1.25 N ATOM 312 CZ ARG A 21 -12.956 5.079 -0.781 1.00 54.25 C ATOM 313 NH1 ARG A 21 -12.127 5.453 -1.753 1.00 11.31 N ATOM 314 NH2 ARG A 21 -14.257 5.040 -1.020 1.00 3.12 N ATOM 0 H ARG A 21 -7.087 4.869 3.365 1.00 22.24 H new ATOM 0 HA ARG A 21 -8.355 5.312 0.865 1.00 11.54 H new ATOM 0 HB2 ARG A 21 -9.299 4.280 3.006 1.00 24.14 H new ATOM 0 HB3 ARG A 21 -9.362 5.892 3.690 1.00 24.14 H new ATOM 0 HG2 ARG A 21 -11.580 5.252 2.889 1.00 63.31 H new ATOM 0 HG3 ARG A 21 -10.978 6.595 1.936 1.00 63.31 H new ATOM 0 HD2 ARG A 21 -10.444 5.126 0.053 1.00 72.04 H new ATOM 0 HD3 ARG A 21 -10.743 3.690 1.011 1.00 72.04 H new ATOM 0 HE ARG A 21 -13.172 4.467 1.140 1.00 1.25 H new ATOM 0 HH11 ARG A 21 -11.122 5.485 -1.582 1.00 11.31 H new ATOM 0 HH12 ARG A 21 -12.497 5.708 -2.669 1.00 11.31 H new ATOM 0 HH21 ARG A 21 -14.902 4.753 -0.284 1.00 3.12 H new ATOM 0 HH22 ARG A 21 -14.614 5.297 -1.940 1.00 3.12 H new ATOM 328 N LYS A 22 -7.522 7.998 2.551 1.00 51.02 N ATOM 329 CA LYS A 22 -7.398 9.461 2.512 1.00 24.01 C ATOM 330 C LYS A 22 -6.389 9.897 1.432 1.00 24.33 C ATOM 331 O LYS A 22 -6.588 10.925 0.780 1.00 22.44 O ATOM 332 CB LYS A 22 -6.975 10.009 3.909 1.00 72.53 C ATOM 333 CG LYS A 22 -7.809 9.487 5.112 1.00 41.35 C ATOM 334 CD LYS A 22 -9.330 9.744 4.993 1.00 11.01 C ATOM 335 CE LYS A 22 -9.700 11.238 4.929 1.00 32.40 C ATOM 336 NZ LYS A 22 -9.247 11.987 6.133 1.00 51.25 N ATOM 0 H LYS A 22 -7.038 7.568 3.339 1.00 51.02 H new ATOM 0 HA LYS A 22 -8.371 9.879 2.256 1.00 24.01 H new ATOM 0 HB2 LYS A 22 -5.928 9.756 4.078 1.00 72.53 H new ATOM 0 HB3 LYS A 22 -7.041 11.097 3.888 1.00 72.53 H new ATOM 0 HG2 LYS A 22 -7.641 8.415 5.218 1.00 41.35 H new ATOM 0 HG3 LYS A 22 -7.443 9.958 6.024 1.00 41.35 H new ATOM 0 HD2 LYS A 22 -9.705 9.247 4.098 1.00 11.01 H new ATOM 0 HD3 LYS A 22 -9.835 9.290 5.846 1.00 11.01 H new ATOM 0 HE2 LYS A 22 -9.254 11.682 4.039 1.00 32.40 H new ATOM 0 HE3 LYS A 22 -10.781 11.338 4.828 1.00 32.40 H new ATOM 0 HZ1 LYS A 22 -9.592 12.967 6.083 1.00 51.25 H new ATOM 0 HZ2 LYS A 22 -9.624 11.531 6.988 1.00 51.25 H new ATOM 0 HZ3 LYS A 22 -8.208 11.988 6.171 1.00 51.25 H new ATOM 350 N ILE A 23 -5.304 9.108 1.249 1.00 14.00 N ATOM 351 CA ILE A 23 -4.270 9.390 0.224 1.00 30.34 C ATOM 352 C ILE A 23 -4.870 9.303 -1.192 1.00 41.30 C ATOM 353 O ILE A 23 -4.774 10.259 -1.971 1.00 5.03 O ATOM 354 CB ILE A 23 -3.011 8.425 0.338 1.00 33.03 C ATOM 355 CG1 ILE A 23 -2.065 8.848 1.511 1.00 64.32 C ATOM 356 CG2 ILE A 23 -2.205 8.336 -0.991 1.00 4.22 C ATOM 357 CD1 ILE A 23 -2.581 8.587 2.908 1.00 61.51 C ATOM 0 H ILE A 23 -5.121 8.269 1.799 1.00 14.00 H new ATOM 0 HA ILE A 23 -3.919 10.405 0.410 1.00 30.34 H new ATOM 0 HB ILE A 23 -3.411 7.433 0.551 1.00 33.03 H new ATOM 0 HG12 ILE A 23 -1.116 8.325 1.392 1.00 64.32 H new ATOM 0 HG13 ILE A 23 -1.856 9.913 1.416 1.00 64.32 H new ATOM 0 HG21 ILE A 23 -1.357 7.665 -0.858 1.00 4.22 H new ATOM 0 HG22 ILE A 23 -2.850 7.954 -1.783 1.00 4.22 H new ATOM 0 HG23 ILE A 23 -1.844 9.327 -1.264 1.00 4.22 H new ATOM 0 HD11 ILE A 23 -1.842 8.920 3.637 1.00 61.51 H new ATOM 0 HD12 ILE A 23 -3.512 9.133 3.060 1.00 61.51 H new ATOM 0 HD13 ILE A 23 -2.761 7.520 3.036 1.00 61.51 H new ATOM 369 N LYS A 24 -5.494 8.153 -1.509 1.00 24.22 N ATOM 370 CA LYS A 24 -6.050 7.900 -2.851 1.00 2.10 C ATOM 371 C LYS A 24 -7.273 8.798 -3.156 1.00 35.24 C ATOM 372 O LYS A 24 -7.637 8.992 -4.322 1.00 12.34 O ATOM 373 CB LYS A 24 -6.306 6.375 -3.090 1.00 61.34 C ATOM 374 CG LYS A 24 -7.182 5.625 -2.061 1.00 2.13 C ATOM 375 CD LYS A 24 -8.698 5.877 -2.202 1.00 63.44 C ATOM 376 CE LYS A 24 -9.230 5.628 -3.629 1.00 20.11 C ATOM 377 NZ LYS A 24 -8.814 4.311 -4.179 1.00 5.21 N ATOM 0 H LYS A 24 -5.626 7.383 -0.853 1.00 24.22 H new ATOM 0 HA LYS A 24 -5.297 8.191 -3.583 1.00 2.10 H new ATOM 0 HB2 LYS A 24 -6.769 6.262 -4.070 1.00 61.34 H new ATOM 0 HB3 LYS A 24 -5.338 5.875 -3.135 1.00 61.34 H new ATOM 0 HG2 LYS A 24 -6.995 4.555 -2.155 1.00 2.13 H new ATOM 0 HG3 LYS A 24 -6.871 5.916 -1.058 1.00 2.13 H new ATOM 0 HD2 LYS A 24 -9.233 5.232 -1.505 1.00 63.44 H new ATOM 0 HD3 LYS A 24 -8.916 6.906 -1.915 1.00 63.44 H new ATOM 0 HE2 LYS A 24 -10.318 5.685 -3.621 1.00 20.11 H new ATOM 0 HE3 LYS A 24 -8.874 6.420 -4.288 1.00 20.11 H new ATOM 0 HZ1 LYS A 24 -9.268 4.161 -5.103 1.00 5.21 H new ATOM 0 HZ2 LYS A 24 -7.781 4.294 -4.294 1.00 5.21 H new ATOM 0 HZ3 LYS A 24 -9.102 3.555 -3.525 1.00 5.21 H new ATOM 391 N ASP A 25 -7.881 9.353 -2.078 1.00 63.22 N ATOM 392 CA ASP A 25 -8.994 10.325 -2.168 1.00 72.12 C ATOM 393 C ASP A 25 -8.578 11.605 -2.945 1.00 73.34 C ATOM 394 O ASP A 25 -9.421 12.264 -3.558 1.00 24.24 O ATOM 395 CB ASP A 25 -9.498 10.685 -0.745 1.00 4.31 C ATOM 396 CG ASP A 25 -10.687 11.658 -0.731 1.00 44.22 C ATOM 397 OD1 ASP A 25 -11.811 11.236 -1.085 1.00 44.44 O ATOM 398 OD2 ASP A 25 -10.505 12.852 -0.395 1.00 33.44 O ATOM 0 H ASP A 25 -7.610 9.136 -1.119 1.00 63.22 H new ATOM 0 HA ASP A 25 -9.806 9.859 -2.726 1.00 72.12 H new ATOM 0 HB2 ASP A 25 -9.786 9.768 -0.230 1.00 4.31 H new ATOM 0 HB3 ASP A 25 -8.676 11.124 -0.180 1.00 4.31 H new ATOM 403 N GLU A 26 -7.257 11.912 -2.967 1.00 24.43 N ATOM 404 CA GLU A 26 -6.692 13.092 -3.680 1.00 22.24 C ATOM 405 C GLU A 26 -6.759 12.955 -5.225 1.00 22.44 C ATOM 406 O GLU A 26 -6.303 13.854 -5.941 1.00 12.15 O ATOM 407 CB GLU A 26 -5.207 13.322 -3.265 1.00 31.44 C ATOM 408 CG GLU A 26 -4.978 13.663 -1.784 1.00 24.13 C ATOM 409 CD GLU A 26 -5.709 14.935 -1.319 1.00 24.04 C ATOM 410 OE1 GLU A 26 -5.553 15.999 -1.965 1.00 75.34 O ATOM 411 OE2 GLU A 26 -6.410 14.897 -0.289 1.00 12.45 O ATOM 0 H GLU A 26 -6.551 11.350 -2.492 1.00 24.43 H new ATOM 0 HA GLU A 26 -7.308 13.943 -3.389 1.00 22.24 H new ATOM 0 HB2 GLU A 26 -4.638 12.424 -3.505 1.00 31.44 H new ATOM 0 HB3 GLU A 26 -4.799 14.130 -3.873 1.00 31.44 H new ATOM 0 HG2 GLU A 26 -5.306 12.823 -1.172 1.00 24.13 H new ATOM 0 HG3 GLU A 26 -3.909 13.785 -1.610 1.00 24.13 H new ATOM 418 N GLY A 27 -7.323 11.841 -5.723 1.00 15.32 N ATOM 419 CA GLY A 27 -7.303 11.512 -7.151 1.00 1.01 C ATOM 420 C GLY A 27 -6.191 10.520 -7.473 1.00 54.23 C ATOM 421 O GLY A 27 -5.929 10.230 -8.640 1.00 3.50 O ATOM 0 H GLY A 27 -7.802 11.149 -5.147 1.00 15.32 H new ATOM 0 HA2 GLY A 27 -8.265 11.091 -7.443 1.00 1.01 H new ATOM 0 HA3 GLY A 27 -7.162 12.422 -7.735 1.00 1.01 H new ATOM 425 N LEU A 28 -5.536 10.004 -6.409 1.00 70.35 N ATOM 426 CA LEU A 28 -4.405 9.056 -6.516 1.00 74.14 C ATOM 427 C LEU A 28 -4.929 7.609 -6.417 1.00 52.12 C ATOM 428 O LEU A 28 -6.131 7.386 -6.234 1.00 65.22 O ATOM 429 CB LEU A 28 -3.359 9.311 -5.377 1.00 31.33 C ATOM 430 CG LEU A 28 -3.015 10.794 -5.009 1.00 14.52 C ATOM 431 CD1 LEU A 28 -1.820 10.843 -4.043 1.00 24.34 C ATOM 432 CD2 LEU A 28 -2.761 11.688 -6.243 1.00 61.50 C ATOM 0 H LEU A 28 -5.779 10.235 -5.446 1.00 70.35 H new ATOM 0 HA LEU A 28 -3.918 9.207 -7.479 1.00 74.14 H new ATOM 0 HB2 LEU A 28 -3.722 8.819 -4.475 1.00 31.33 H new ATOM 0 HB3 LEU A 28 -2.431 8.814 -5.659 1.00 31.33 H new ATOM 0 HG LEU A 28 -3.896 11.204 -4.515 1.00 14.52 H new ATOM 0 HD11 LEU A 28 -1.593 11.880 -3.797 1.00 24.34 H new ATOM 0 HD12 LEU A 28 -2.067 10.299 -3.131 1.00 24.34 H new ATOM 0 HD13 LEU A 28 -0.951 10.384 -4.515 1.00 24.34 H new ATOM 0 HD21 LEU A 28 -2.528 12.702 -5.916 1.00 61.50 H new ATOM 0 HD22 LEU A 28 -1.923 11.290 -6.815 1.00 61.50 H new ATOM 0 HD23 LEU A 28 -3.652 11.705 -6.870 1.00 61.50 H new ATOM 444 N GLU A 29 -4.042 6.620 -6.589 1.00 54.14 N ATOM 445 CA GLU A 29 -4.312 5.238 -6.145 1.00 74.31 C ATOM 446 C GLU A 29 -3.218 4.768 -5.167 1.00 72.13 C ATOM 447 O GLU A 29 -2.090 5.264 -5.200 1.00 33.32 O ATOM 448 CB GLU A 29 -4.416 4.285 -7.363 1.00 52.50 C ATOM 449 CG GLU A 29 -4.884 2.848 -7.018 1.00 44.20 C ATOM 450 CD GLU A 29 -6.297 2.791 -6.385 1.00 23.14 C ATOM 451 OE1 GLU A 29 -7.289 2.687 -7.139 1.00 43.11 O ATOM 452 OE2 GLU A 29 -6.424 2.861 -5.134 1.00 14.52 O ATOM 0 H GLU A 29 -3.132 6.747 -7.031 1.00 54.14 H new ATOM 0 HA GLU A 29 -5.268 5.219 -5.622 1.00 74.31 H new ATOM 0 HB2 GLU A 29 -5.109 4.715 -8.086 1.00 52.50 H new ATOM 0 HB3 GLU A 29 -3.442 4.229 -7.849 1.00 52.50 H new ATOM 0 HG2 GLU A 29 -4.877 2.245 -7.926 1.00 44.20 H new ATOM 0 HG3 GLU A 29 -4.168 2.397 -6.330 1.00 44.20 H new ATOM 459 N VAL A 30 -3.591 3.829 -4.285 1.00 51.43 N ATOM 460 CA VAL A 30 -2.687 3.175 -3.329 1.00 65.55 C ATOM 461 C VAL A 30 -2.602 1.672 -3.659 1.00 54.14 C ATOM 462 O VAL A 30 -3.616 1.044 -3.998 1.00 1.02 O ATOM 463 CB VAL A 30 -3.187 3.373 -1.843 1.00 34.22 C ATOM 464 CG1 VAL A 30 -2.304 2.602 -0.822 1.00 24.51 C ATOM 465 CG2 VAL A 30 -3.242 4.870 -1.475 1.00 60.50 C ATOM 0 H VAL A 30 -4.553 3.496 -4.216 1.00 51.43 H new ATOM 0 HA VAL A 30 -1.700 3.631 -3.414 1.00 65.55 H new ATOM 0 HB VAL A 30 -4.194 2.959 -1.790 1.00 34.22 H new ATOM 0 HG11 VAL A 30 -2.685 2.767 0.186 1.00 24.51 H new ATOM 0 HG12 VAL A 30 -2.330 1.536 -1.050 1.00 24.51 H new ATOM 0 HG13 VAL A 30 -1.277 2.961 -0.885 1.00 24.51 H new ATOM 0 HG21 VAL A 30 -3.589 4.980 -0.448 1.00 60.50 H new ATOM 0 HG22 VAL A 30 -2.247 5.305 -1.570 1.00 60.50 H new ATOM 0 HG23 VAL A 30 -3.929 5.385 -2.147 1.00 60.50 H new ATOM 475 N TYR A 31 -1.382 1.113 -3.557 1.00 52.03 N ATOM 476 CA TYR A 31 -1.140 -0.330 -3.655 1.00 3.12 C ATOM 477 C TYR A 31 -0.802 -0.831 -2.251 1.00 11.42 C ATOM 478 O TYR A 31 0.231 -0.471 -1.696 1.00 12.54 O ATOM 479 CB TYR A 31 0.024 -0.654 -4.629 1.00 1.43 C ATOM 480 CG TYR A 31 -0.279 -0.336 -6.099 1.00 63.53 C ATOM 481 CD1 TYR A 31 -0.077 0.942 -6.618 1.00 15.35 C ATOM 482 CD2 TYR A 31 -0.752 -1.324 -6.970 1.00 10.23 C ATOM 483 CE1 TYR A 31 -0.343 1.228 -7.939 1.00 24.32 C ATOM 484 CE2 TYR A 31 -1.016 -1.039 -8.296 1.00 41.43 C ATOM 485 CZ TYR A 31 -0.805 0.243 -8.775 1.00 60.24 C ATOM 486 OH TYR A 31 -1.058 0.546 -10.097 1.00 61.25 O ATOM 0 H TYR A 31 -0.533 1.658 -3.403 1.00 52.03 H new ATOM 0 HA TYR A 31 -2.028 -0.823 -4.049 1.00 3.12 H new ATOM 0 HB2 TYR A 31 0.907 -0.093 -4.322 1.00 1.43 H new ATOM 0 HB3 TYR A 31 0.272 -1.712 -4.541 1.00 1.43 H new ATOM 0 HD1 TYR A 31 0.295 1.723 -5.972 1.00 15.35 H new ATOM 0 HD2 TYR A 31 -0.913 -2.326 -6.600 1.00 10.23 H new ATOM 0 HE1 TYR A 31 -0.188 2.228 -8.317 1.00 24.32 H new ATOM 0 HE2 TYR A 31 -1.385 -1.811 -8.955 1.00 41.43 H new ATOM 0 HH TYR A 31 -0.457 1.263 -10.389 1.00 61.25 H new ATOM 496 N ILE A 32 -1.683 -1.639 -1.666 1.00 20.32 N ATOM 497 CA ILE A 32 -1.449 -2.242 -0.359 1.00 32.33 C ATOM 498 C ILE A 32 -0.683 -3.557 -0.559 1.00 34.01 C ATOM 499 O ILE A 32 -1.143 -4.435 -1.286 1.00 41.44 O ATOM 500 CB ILE A 32 -2.799 -2.520 0.403 1.00 1.11 C ATOM 501 CG1 ILE A 32 -3.664 -1.221 0.562 1.00 5.10 C ATOM 502 CG2 ILE A 32 -2.534 -3.181 1.777 1.00 62.52 C ATOM 503 CD1 ILE A 32 -3.078 -0.179 1.492 1.00 54.11 C ATOM 0 H ILE A 32 -2.578 -1.893 -2.085 1.00 20.32 H new ATOM 0 HA ILE A 32 -0.868 -1.548 0.249 1.00 32.33 H new ATOM 0 HB ILE A 32 -3.374 -3.217 -0.207 1.00 1.11 H new ATOM 0 HG12 ILE A 32 -3.805 -0.772 -0.421 1.00 5.10 H new ATOM 0 HG13 ILE A 32 -4.651 -1.501 0.929 1.00 5.10 H new ATOM 0 HG21 ILE A 32 -3.483 -3.362 2.283 1.00 62.52 H new ATOM 0 HG22 ILE A 32 -2.014 -4.128 1.631 1.00 62.52 H new ATOM 0 HG23 ILE A 32 -1.919 -2.519 2.387 1.00 62.52 H new ATOM 0 HD11 ILE A 32 -3.744 0.682 1.539 1.00 54.11 H new ATOM 0 HD12 ILE A 32 -2.964 -0.604 2.489 1.00 54.11 H new ATOM 0 HD13 ILE A 32 -2.104 0.136 1.118 1.00 54.11 H new ATOM 515 N LEU A 33 0.502 -3.679 0.051 1.00 75.24 N ATOM 516 CA LEU A 33 1.243 -4.944 0.089 1.00 34.41 C ATOM 517 C LEU A 33 0.935 -5.649 1.409 1.00 44.14 C ATOM 518 O LEU A 33 1.446 -5.279 2.475 1.00 44.15 O ATOM 519 CB LEU A 33 2.761 -4.716 -0.120 1.00 62.22 C ATOM 520 CG LEU A 33 3.163 -4.159 -1.524 1.00 62.34 C ATOM 521 CD1 LEU A 33 4.689 -4.176 -1.726 1.00 63.04 C ATOM 522 CD2 LEU A 33 2.434 -4.902 -2.667 1.00 43.34 C ATOM 0 H LEU A 33 0.971 -2.909 0.529 1.00 75.24 H new ATOM 0 HA LEU A 33 0.924 -5.585 -0.733 1.00 34.41 H new ATOM 0 HB2 LEU A 33 3.117 -4.024 0.643 1.00 62.22 H new ATOM 0 HB3 LEU A 33 3.280 -5.661 0.040 1.00 62.22 H new ATOM 0 HG LEU A 33 2.841 -3.118 -1.558 1.00 62.34 H new ATOM 0 HD11 LEU A 33 4.930 -3.782 -2.713 1.00 63.04 H new ATOM 0 HD12 LEU A 33 5.164 -3.559 -0.963 1.00 63.04 H new ATOM 0 HD13 LEU A 33 5.055 -5.199 -1.645 1.00 63.04 H new ATOM 0 HD21 LEU A 33 2.741 -4.485 -3.626 1.00 43.34 H new ATOM 0 HD22 LEU A 33 2.689 -5.961 -2.634 1.00 43.34 H new ATOM 0 HD23 LEU A 33 1.357 -4.785 -2.548 1.00 43.34 H new ATOM 534 N LEU A 34 0.056 -6.646 1.304 1.00 45.22 N ATOM 535 CA LEU A 34 -0.490 -7.379 2.436 1.00 45.05 C ATOM 536 C LEU A 34 0.465 -8.542 2.770 1.00 34.55 C ATOM 537 O LEU A 34 0.725 -9.398 1.917 1.00 51.23 O ATOM 538 CB LEU A 34 -1.937 -7.894 2.076 1.00 22.01 C ATOM 539 CG LEU A 34 -3.030 -7.750 3.188 1.00 34.51 C ATOM 540 CD1 LEU A 34 -2.743 -8.643 4.411 1.00 62.21 C ATOM 541 CD2 LEU A 34 -3.191 -6.269 3.595 1.00 50.22 C ATOM 0 H LEU A 34 -0.302 -6.971 0.406 1.00 45.22 H new ATOM 0 HA LEU A 34 -0.576 -6.738 3.313 1.00 45.05 H new ATOM 0 HB2 LEU A 34 -2.279 -7.358 1.191 1.00 22.01 H new ATOM 0 HB3 LEU A 34 -1.866 -8.947 1.803 1.00 22.01 H new ATOM 0 HG LEU A 34 -3.974 -8.098 2.768 1.00 34.51 H new ATOM 0 HD11 LEU A 34 -3.529 -8.507 5.153 1.00 62.21 H new ATOM 0 HD12 LEU A 34 -2.714 -9.687 4.100 1.00 62.21 H new ATOM 0 HD13 LEU A 34 -1.782 -8.367 4.845 1.00 62.21 H new ATOM 0 HD21 LEU A 34 -3.954 -6.185 4.369 1.00 50.22 H new ATOM 0 HD22 LEU A 34 -2.243 -5.892 3.978 1.00 50.22 H new ATOM 0 HD23 LEU A 34 -3.490 -5.683 2.726 1.00 50.22 H new ATOM 553 N LYS A 35 0.978 -8.550 4.010 1.00 2.33 N ATOM 554 CA LYS A 35 1.843 -9.620 4.529 1.00 53.13 C ATOM 555 C LYS A 35 1.268 -10.118 5.869 1.00 61.12 C ATOM 556 O LYS A 35 1.088 -9.347 6.823 1.00 50.41 O ATOM 557 CB LYS A 35 3.319 -9.135 4.698 1.00 62.10 C ATOM 558 CG LYS A 35 3.484 -7.833 5.524 1.00 64.02 C ATOM 559 CD LYS A 35 4.868 -7.698 6.203 1.00 22.43 C ATOM 560 CE LYS A 35 6.029 -7.615 5.212 1.00 13.24 C ATOM 561 NZ LYS A 35 7.320 -7.366 5.905 1.00 63.25 N ATOM 0 H LYS A 35 0.802 -7.807 4.686 1.00 2.33 H new ATOM 0 HA LYS A 35 1.862 -10.440 3.812 1.00 53.13 H new ATOM 0 HB2 LYS A 35 3.895 -9.928 5.176 1.00 62.10 H new ATOM 0 HB3 LYS A 35 3.751 -8.979 3.710 1.00 62.10 H new ATOM 0 HG2 LYS A 35 3.325 -6.976 4.870 1.00 64.02 H new ATOM 0 HG3 LYS A 35 2.709 -7.798 6.289 1.00 64.02 H new ATOM 0 HD2 LYS A 35 4.871 -6.806 6.829 1.00 22.43 H new ATOM 0 HD3 LYS A 35 5.025 -8.551 6.863 1.00 22.43 H new ATOM 0 HE2 LYS A 35 6.092 -8.544 4.645 1.00 13.24 H new ATOM 0 HE3 LYS A 35 5.840 -6.816 4.495 1.00 13.24 H new ATOM 0 HZ1 LYS A 35 7.865 -6.654 5.378 1.00 63.25 H new ATOM 0 HZ2 LYS A 35 7.136 -7.018 6.868 1.00 63.25 H new ATOM 0 HZ3 LYS A 35 7.864 -8.251 5.955 1.00 63.25 H new ATOM 575 N ASP A 36 0.929 -11.400 5.897 1.00 44.01 N ATOM 576 CA ASP A 36 0.430 -12.097 7.083 1.00 63.43 C ATOM 577 C ASP A 36 1.147 -13.449 7.161 1.00 23.55 C ATOM 578 O ASP A 36 1.782 -13.880 6.182 1.00 70.03 O ATOM 579 CB ASP A 36 -1.118 -12.261 6.989 1.00 63.24 C ATOM 580 CG ASP A 36 -1.807 -12.514 8.339 1.00 20.12 C ATOM 581 OD1 ASP A 36 -1.690 -13.632 8.881 1.00 3.30 O ATOM 582 OD2 ASP A 36 -2.434 -11.585 8.886 1.00 31.14 O ATOM 0 H ASP A 36 0.994 -12.002 5.076 1.00 44.01 H new ATOM 0 HA ASP A 36 0.634 -11.530 7.992 1.00 63.43 H new ATOM 0 HB2 ASP A 36 -1.541 -11.362 6.541 1.00 63.24 H new ATOM 0 HB3 ASP A 36 -1.344 -13.089 6.317 1.00 63.24 H new ATOM 587 N LYS A 37 1.049 -14.123 8.309 1.00 30.00 N ATOM 588 CA LYS A 37 1.622 -15.473 8.504 1.00 74.41 C ATOM 589 C LYS A 37 0.659 -16.570 7.992 1.00 72.55 C ATOM 590 O LYS A 37 1.035 -17.742 7.911 1.00 3.31 O ATOM 591 CB LYS A 37 1.954 -15.677 10.000 1.00 71.43 C ATOM 592 CG LYS A 37 2.870 -14.573 10.586 1.00 55.02 C ATOM 593 CD LYS A 37 3.193 -14.782 12.084 1.00 74.14 C ATOM 594 CE LYS A 37 4.064 -13.655 12.660 1.00 52.34 C ATOM 595 NZ LYS A 37 4.408 -13.887 14.089 1.00 22.04 N ATOM 0 H LYS A 37 0.573 -13.756 9.133 1.00 30.00 H new ATOM 0 HA LYS A 37 2.540 -15.555 7.921 1.00 74.41 H new ATOM 0 HB2 LYS A 37 1.025 -15.707 10.569 1.00 71.43 H new ATOM 0 HB3 LYS A 37 2.438 -16.645 10.128 1.00 71.43 H new ATOM 0 HG2 LYS A 37 3.801 -14.545 10.021 1.00 55.02 H new ATOM 0 HG3 LYS A 37 2.389 -13.604 10.456 1.00 55.02 H new ATOM 0 HD2 LYS A 37 2.262 -14.842 12.648 1.00 74.14 H new ATOM 0 HD3 LYS A 37 3.706 -15.735 12.212 1.00 74.14 H new ATOM 0 HE2 LYS A 37 4.981 -13.572 12.076 1.00 52.34 H new ATOM 0 HE3 LYS A 37 3.537 -12.706 12.564 1.00 52.34 H new ATOM 0 HZ1 LYS A 37 4.996 -13.103 14.436 1.00 22.04 H new ATOM 0 HZ2 LYS A 37 3.535 -13.941 14.652 1.00 22.04 H new ATOM 0 HZ3 LYS A 37 4.934 -14.780 14.179 1.00 22.04 H new ATOM 609 N ASP A 38 -0.580 -16.160 7.654 1.00 54.55 N ATOM 610 CA ASP A 38 -1.630 -17.036 7.095 1.00 11.52 C ATOM 611 C ASP A 38 -2.211 -16.399 5.814 1.00 44.40 C ATOM 612 O ASP A 38 -2.928 -15.393 5.893 1.00 70.32 O ATOM 613 CB ASP A 38 -2.752 -17.274 8.151 1.00 50.53 C ATOM 614 CG ASP A 38 -3.995 -17.992 7.579 1.00 50.53 C ATOM 615 OD1 ASP A 38 -3.866 -19.141 7.108 1.00 15.23 O ATOM 616 OD2 ASP A 38 -5.102 -17.404 7.583 1.00 31.44 O ATOM 0 H ASP A 38 -0.885 -15.193 7.764 1.00 54.55 H new ATOM 0 HA ASP A 38 -1.194 -18.002 6.839 1.00 11.52 H new ATOM 0 HB2 ASP A 38 -2.347 -17.865 8.973 1.00 50.53 H new ATOM 0 HB3 ASP A 38 -3.057 -16.314 8.568 1.00 50.53 H new ATOM 621 N GLU A 39 -1.869 -16.999 4.653 1.00 34.41 N ATOM 622 CA GLU A 39 -2.327 -16.550 3.314 1.00 40.44 C ATOM 623 C GLU A 39 -3.860 -16.518 3.144 1.00 74.02 C ATOM 624 O GLU A 39 -4.353 -15.733 2.327 1.00 21.51 O ATOM 625 CB GLU A 39 -1.719 -17.438 2.197 1.00 71.42 C ATOM 626 CG GLU A 39 -0.199 -17.295 2.024 1.00 34.20 C ATOM 627 CD GLU A 39 0.354 -18.162 0.890 1.00 1.13 C ATOM 628 OE1 GLU A 39 0.134 -17.812 -0.289 1.00 72.10 O ATOM 629 OE2 GLU A 39 0.968 -19.216 1.160 1.00 73.25 O ATOM 0 H GLU A 39 -1.261 -17.817 4.616 1.00 34.41 H new ATOM 0 HA GLU A 39 -1.974 -15.522 3.228 1.00 40.44 H new ATOM 0 HB2 GLU A 39 -1.950 -18.481 2.413 1.00 71.42 H new ATOM 0 HB3 GLU A 39 -2.204 -17.193 1.252 1.00 71.42 H new ATOM 0 HG2 GLU A 39 0.043 -16.251 1.827 1.00 34.20 H new ATOM 0 HG3 GLU A 39 0.295 -17.567 2.957 1.00 34.20 H new ATOM 636 N LYS A 40 -4.597 -17.372 3.887 1.00 42.44 N ATOM 637 CA LYS A 40 -6.058 -17.493 3.727 1.00 41.04 C ATOM 638 C LYS A 40 -6.734 -16.163 4.106 1.00 71.41 C ATOM 639 O LYS A 40 -7.360 -15.520 3.262 1.00 43.22 O ATOM 640 CB LYS A 40 -6.598 -18.691 4.571 1.00 12.11 C ATOM 641 CG LYS A 40 -8.108 -19.039 4.385 1.00 54.34 C ATOM 642 CD LYS A 40 -9.072 -18.234 5.304 1.00 10.12 C ATOM 643 CE LYS A 40 -10.552 -18.591 5.088 1.00 4.12 C ATOM 644 NZ LYS A 40 -10.833 -20.038 5.338 1.00 63.14 N ATOM 0 H LYS A 40 -4.203 -17.985 4.601 1.00 42.44 H new ATOM 0 HA LYS A 40 -6.298 -17.701 2.684 1.00 41.04 H new ATOM 0 HB2 LYS A 40 -6.010 -19.575 4.326 1.00 12.11 H new ATOM 0 HB3 LYS A 40 -6.424 -18.474 5.625 1.00 12.11 H new ATOM 0 HG2 LYS A 40 -8.384 -18.861 3.346 1.00 54.34 H new ATOM 0 HG3 LYS A 40 -8.249 -20.103 4.575 1.00 54.34 H new ATOM 0 HD2 LYS A 40 -8.809 -18.418 6.346 1.00 10.12 H new ATOM 0 HD3 LYS A 40 -8.932 -17.168 5.123 1.00 10.12 H new ATOM 0 HE2 LYS A 40 -11.169 -17.984 5.750 1.00 4.12 H new ATOM 0 HE3 LYS A 40 -10.838 -18.340 4.067 1.00 4.12 H new ATOM 0 HZ1 LYS A 40 -11.859 -20.205 5.296 1.00 63.14 H new ATOM 0 HZ2 LYS A 40 -10.358 -20.614 4.614 1.00 63.14 H new ATOM 0 HZ3 LYS A 40 -10.478 -20.303 6.279 1.00 63.14 H new ATOM 658 N ARG A 41 -6.534 -15.729 5.367 1.00 3.41 N ATOM 659 CA ARG A 41 -7.142 -14.495 5.887 1.00 71.41 C ATOM 660 C ARG A 41 -6.409 -13.249 5.348 1.00 33.04 C ATOM 661 O ARG A 41 -7.000 -12.167 5.274 1.00 12.04 O ATOM 662 CB ARG A 41 -7.209 -14.511 7.435 1.00 53.32 C ATOM 663 CG ARG A 41 -8.051 -15.673 8.016 1.00 50.31 C ATOM 664 CD ARG A 41 -8.208 -15.596 9.544 1.00 22.43 C ATOM 665 NE ARG A 41 -6.908 -15.547 10.238 1.00 42.10 N ATOM 666 CZ ARG A 41 -6.413 -16.484 11.066 1.00 71.05 C ATOM 667 NH1 ARG A 41 -7.096 -17.586 11.355 1.00 73.35 N ATOM 668 NH2 ARG A 41 -5.222 -16.307 11.591 1.00 51.43 N ATOM 0 H ARG A 41 -5.952 -16.221 6.045 1.00 3.41 H new ATOM 0 HA ARG A 41 -8.170 -14.444 5.527 1.00 71.41 H new ATOM 0 HB2 ARG A 41 -6.196 -14.576 7.832 1.00 53.32 H new ATOM 0 HB3 ARG A 41 -7.626 -13.565 7.780 1.00 53.32 H new ATOM 0 HG2 ARG A 41 -9.038 -15.665 7.554 1.00 50.31 H new ATOM 0 HG3 ARG A 41 -7.583 -16.621 7.752 1.00 50.31 H new ATOM 0 HD2 ARG A 41 -8.789 -14.711 9.803 1.00 22.43 H new ATOM 0 HD3 ARG A 41 -8.771 -16.461 9.893 1.00 22.43 H new ATOM 0 HE ARG A 41 -6.329 -14.724 10.074 1.00 42.10 H new ATOM 0 HH11 ARG A 41 -8.018 -17.737 10.946 1.00 73.35 H new ATOM 0 HH12 ARG A 41 -6.698 -18.282 11.986 1.00 73.35 H new ATOM 0 HH21 ARG A 41 -4.686 -15.468 11.369 1.00 51.43 H new ATOM 0 HH22 ARG A 41 -4.833 -17.009 12.221 1.00 51.43 H new ATOM 682 N LEU A 42 -5.127 -13.421 4.950 1.00 30.32 N ATOM 683 CA LEU A 42 -4.344 -12.394 4.219 1.00 71.31 C ATOM 684 C LEU A 42 -5.125 -11.950 2.962 1.00 54.21 C ATOM 685 O LEU A 42 -5.432 -10.763 2.786 1.00 43.02 O ATOM 686 CB LEU A 42 -2.949 -13.003 3.835 1.00 35.03 C ATOM 687 CG LEU A 42 -1.833 -12.085 3.198 1.00 54.53 C ATOM 688 CD1 LEU A 42 -0.453 -12.784 3.231 1.00 21.24 C ATOM 689 CD2 LEU A 42 -2.147 -11.667 1.753 1.00 11.35 C ATOM 0 H LEU A 42 -4.604 -14.278 5.127 1.00 30.32 H new ATOM 0 HA LEU A 42 -4.184 -11.516 4.845 1.00 71.31 H new ATOM 0 HB2 LEU A 42 -2.528 -13.444 4.739 1.00 35.03 H new ATOM 0 HB3 LEU A 42 -3.133 -13.820 3.137 1.00 35.03 H new ATOM 0 HG LEU A 42 -1.810 -11.183 3.809 1.00 54.53 H new ATOM 0 HD11 LEU A 42 0.297 -12.130 2.786 1.00 21.24 H new ATOM 0 HD12 LEU A 42 -0.179 -13.000 4.264 1.00 21.24 H new ATOM 0 HD13 LEU A 42 -0.503 -13.715 2.666 1.00 21.24 H new ATOM 0 HD21 LEU A 42 -1.342 -11.038 1.373 1.00 11.35 H new ATOM 0 HD22 LEU A 42 -2.238 -12.556 1.129 1.00 11.35 H new ATOM 0 HD23 LEU A 42 -3.084 -11.110 1.731 1.00 11.35 H new ATOM 701 N GLU A 43 -5.460 -12.950 2.116 1.00 63.32 N ATOM 702 CA GLU A 43 -6.077 -12.718 0.797 1.00 31.13 C ATOM 703 C GLU A 43 -7.579 -12.425 0.926 1.00 15.21 C ATOM 704 O GLU A 43 -8.188 -11.841 0.017 1.00 30.25 O ATOM 705 CB GLU A 43 -5.787 -13.889 -0.169 1.00 74.40 C ATOM 706 CG GLU A 43 -6.168 -13.586 -1.632 1.00 54.30 C ATOM 707 CD GLU A 43 -5.656 -14.635 -2.621 1.00 61.03 C ATOM 708 OE1 GLU A 43 -4.502 -14.504 -3.088 1.00 34.53 O ATOM 709 OE2 GLU A 43 -6.397 -15.592 -2.927 1.00 53.14 O ATOM 0 H GLU A 43 -5.310 -13.936 2.330 1.00 63.32 H new ATOM 0 HA GLU A 43 -5.620 -11.829 0.363 1.00 31.13 H new ATOM 0 HB2 GLU A 43 -4.726 -14.135 -0.121 1.00 74.40 H new ATOM 0 HB3 GLU A 43 -6.334 -14.770 0.166 1.00 74.40 H new ATOM 0 HG2 GLU A 43 -7.253 -13.521 -1.711 1.00 54.30 H new ATOM 0 HG3 GLU A 43 -5.769 -12.610 -1.909 1.00 54.30 H new ATOM 716 N GLU A 44 -8.159 -12.795 2.083 1.00 4.33 N ATOM 717 CA GLU A 44 -9.509 -12.360 2.467 1.00 74.54 C ATOM 718 C GLU A 44 -9.510 -10.828 2.612 1.00 52.21 C ATOM 719 O GLU A 44 -10.360 -10.156 2.024 1.00 71.52 O ATOM 720 CB GLU A 44 -9.967 -13.048 3.781 1.00 43.51 C ATOM 721 CG GLU A 44 -10.359 -14.539 3.635 1.00 75.21 C ATOM 722 CD GLU A 44 -11.684 -14.749 2.871 1.00 13.21 C ATOM 723 OE1 GLU A 44 -12.758 -14.664 3.504 1.00 22.21 O ATOM 724 OE2 GLU A 44 -11.667 -14.985 1.646 1.00 65.34 O ATOM 0 H GLU A 44 -7.707 -13.398 2.770 1.00 4.33 H new ATOM 0 HA GLU A 44 -10.219 -12.652 1.693 1.00 74.54 H new ATOM 0 HB2 GLU A 44 -9.164 -12.969 4.514 1.00 43.51 H new ATOM 0 HB3 GLU A 44 -10.820 -12.501 4.182 1.00 43.51 H new ATOM 0 HG2 GLU A 44 -9.560 -15.069 3.116 1.00 75.21 H new ATOM 0 HG3 GLU A 44 -10.445 -14.984 4.626 1.00 75.21 H new ATOM 731 N LYS A 45 -8.489 -10.298 3.331 1.00 63.14 N ATOM 732 CA LYS A 45 -8.321 -8.848 3.537 1.00 74.12 C ATOM 733 C LYS A 45 -7.974 -8.137 2.212 1.00 53.23 C ATOM 734 O LYS A 45 -8.374 -6.989 2.011 1.00 73.53 O ATOM 735 CB LYS A 45 -7.236 -8.549 4.614 1.00 51.24 C ATOM 736 CG LYS A 45 -6.990 -7.032 4.841 1.00 2.14 C ATOM 737 CD LYS A 45 -5.993 -6.689 5.968 1.00 3.31 C ATOM 738 CE LYS A 45 -6.572 -6.840 7.390 1.00 42.44 C ATOM 739 NZ LYS A 45 -6.652 -8.251 7.829 1.00 40.03 N ATOM 0 H LYS A 45 -7.768 -10.863 3.779 1.00 63.14 H new ATOM 0 HA LYS A 45 -9.272 -8.458 3.899 1.00 74.12 H new ATOM 0 HB2 LYS A 45 -7.536 -9.005 5.557 1.00 51.24 H new ATOM 0 HB3 LYS A 45 -6.300 -9.020 4.316 1.00 51.24 H new ATOM 0 HG2 LYS A 45 -6.626 -6.596 3.911 1.00 2.14 H new ATOM 0 HG3 LYS A 45 -7.944 -6.555 5.064 1.00 2.14 H new ATOM 0 HD2 LYS A 45 -5.119 -7.333 5.873 1.00 3.31 H new ATOM 0 HD3 LYS A 45 -5.649 -5.663 5.834 1.00 3.31 H new ATOM 0 HE2 LYS A 45 -5.953 -6.281 8.091 1.00 42.44 H new ATOM 0 HE3 LYS A 45 -7.568 -6.397 7.421 1.00 42.44 H new ATOM 0 HZ1 LYS A 45 -6.251 -8.340 8.785 1.00 40.03 H new ATOM 0 HZ2 LYS A 45 -7.646 -8.555 7.841 1.00 40.03 H new ATOM 0 HZ3 LYS A 45 -6.114 -8.850 7.171 1.00 40.03 H new ATOM 753 N ILE A 46 -7.247 -8.843 1.304 1.00 60.43 N ATOM 754 CA ILE A 46 -6.914 -8.312 -0.035 1.00 22.14 C ATOM 755 C ILE A 46 -8.205 -7.951 -0.792 1.00 13.04 C ATOM 756 O ILE A 46 -8.335 -6.842 -1.312 1.00 31.24 O ATOM 757 CB ILE A 46 -6.049 -9.333 -0.891 1.00 33.00 C ATOM 758 CG1 ILE A 46 -4.623 -9.488 -0.272 1.00 33.41 C ATOM 759 CG2 ILE A 46 -5.962 -8.940 -2.394 1.00 22.03 C ATOM 760 CD1 ILE A 46 -3.667 -10.357 -1.066 1.00 12.22 C ATOM 0 H ILE A 46 -6.883 -9.780 1.480 1.00 60.43 H new ATOM 0 HA ILE A 46 -6.309 -7.417 0.111 1.00 22.14 H new ATOM 0 HB ILE A 46 -6.561 -10.294 -0.854 1.00 33.00 H new ATOM 0 HG12 ILE A 46 -4.182 -8.497 -0.162 1.00 33.41 H new ATOM 0 HG13 ILE A 46 -4.722 -9.906 0.730 1.00 33.41 H new ATOM 0 HG21 ILE A 46 -5.359 -9.674 -2.928 1.00 22.03 H new ATOM 0 HG22 ILE A 46 -6.964 -8.914 -2.822 1.00 22.03 H new ATOM 0 HG23 ILE A 46 -5.502 -7.956 -2.487 1.00 22.03 H new ATOM 0 HD11 ILE A 46 -2.706 -10.402 -0.554 1.00 12.22 H new ATOM 0 HD12 ILE A 46 -4.078 -11.363 -1.155 1.00 12.22 H new ATOM 0 HD13 ILE A 46 -3.529 -9.932 -2.060 1.00 12.22 H new ATOM 772 N GLN A 47 -9.172 -8.894 -0.786 1.00 34.13 N ATOM 773 CA GLN A 47 -10.459 -8.724 -1.480 1.00 33.51 C ATOM 774 C GLN A 47 -11.348 -7.687 -0.772 1.00 54.41 C ATOM 775 O GLN A 47 -12.125 -6.993 -1.436 1.00 42.21 O ATOM 776 CB GLN A 47 -11.204 -10.082 -1.606 1.00 53.01 C ATOM 777 CG GLN A 47 -10.414 -11.173 -2.357 1.00 73.13 C ATOM 778 CD GLN A 47 -10.028 -10.776 -3.789 1.00 31.14 C ATOM 779 OE1 GLN A 47 -8.848 -10.201 -3.960 1.00 62.32 O flip ATOM 780 NE2 GLN A 47 -10.785 -11.000 -4.735 1.00 35.22 N flip ATOM 0 H GLN A 47 -9.080 -9.787 -0.302 1.00 34.13 H new ATOM 0 HA GLN A 47 -10.244 -8.353 -2.482 1.00 33.51 H new ATOM 0 HB2 GLN A 47 -11.443 -10.446 -0.607 1.00 53.01 H new ATOM 0 HB3 GLN A 47 -12.151 -9.917 -2.120 1.00 53.01 H new ATOM 0 HG2 GLN A 47 -9.508 -11.405 -1.797 1.00 73.13 H new ATOM 0 HG3 GLN A 47 -11.011 -12.084 -2.390 1.00 73.13 H new ATOM 0 HE21 GLN A 47 -11.688 -11.445 -4.571 1.00 35.22 H new ATOM 0 HE22 GLN A 47 -10.508 -10.741 -5.682 1.00 35.22 H new ATOM 789 N LYS A 48 -11.234 -7.594 0.576 1.00 43.41 N ATOM 790 CA LYS A 48 -11.989 -6.598 1.372 1.00 20.13 C ATOM 791 C LYS A 48 -11.568 -5.173 0.989 1.00 61.04 C ATOM 792 O LYS A 48 -12.412 -4.357 0.616 1.00 43.40 O ATOM 793 CB LYS A 48 -11.800 -6.815 2.902 1.00 75.34 C ATOM 794 CG LYS A 48 -12.304 -8.164 3.491 1.00 54.51 C ATOM 795 CD LYS A 48 -13.847 -8.399 3.406 1.00 75.55 C ATOM 796 CE LYS A 48 -14.325 -8.987 2.061 1.00 1.12 C ATOM 797 NZ LYS A 48 -15.758 -9.363 2.102 1.00 61.43 N ATOM 0 H LYS A 48 -10.627 -8.196 1.133 1.00 43.41 H new ATOM 0 HA LYS A 48 -13.046 -6.735 1.143 1.00 20.13 H new ATOM 0 HB2 LYS A 48 -10.738 -6.722 3.129 1.00 75.34 H new ATOM 0 HB3 LYS A 48 -12.310 -6.006 3.425 1.00 75.34 H new ATOM 0 HG2 LYS A 48 -11.801 -8.979 2.971 1.00 54.51 H new ATOM 0 HG3 LYS A 48 -12.002 -8.219 4.537 1.00 54.51 H new ATOM 0 HD2 LYS A 48 -14.145 -9.072 4.210 1.00 75.55 H new ATOM 0 HD3 LYS A 48 -14.357 -7.451 3.577 1.00 75.55 H new ATOM 0 HE2 LYS A 48 -14.163 -8.257 1.268 1.00 1.12 H new ATOM 0 HE3 LYS A 48 -13.726 -9.864 1.814 1.00 1.12 H new ATOM 0 HZ1 LYS A 48 -16.041 -9.754 1.181 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -15.908 -10.078 2.842 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -16.332 -8.521 2.312 1.00 61.43 H new ATOM 811 N LEU A 49 -10.251 -4.917 1.052 1.00 25.15 N ATOM 812 CA LEU A 49 -9.650 -3.608 0.738 1.00 33.54 C ATOM 813 C LEU A 49 -9.898 -3.201 -0.727 1.00 1.04 C ATOM 814 O LEU A 49 -10.171 -2.032 -1.007 1.00 24.52 O ATOM 815 CB LEU A 49 -8.132 -3.620 1.052 1.00 64.31 C ATOM 816 CG LEU A 49 -7.743 -3.721 2.558 1.00 52.51 C ATOM 817 CD1 LEU A 49 -6.217 -3.886 2.731 1.00 31.20 C ATOM 818 CD2 LEU A 49 -8.264 -2.498 3.342 1.00 32.11 C ATOM 0 H LEU A 49 -9.565 -5.621 1.325 1.00 25.15 H new ATOM 0 HA LEU A 49 -10.134 -2.863 1.369 1.00 33.54 H new ATOM 0 HB2 LEU A 49 -7.679 -4.459 0.524 1.00 64.31 H new ATOM 0 HB3 LEU A 49 -7.690 -2.711 0.644 1.00 64.31 H new ATOM 0 HG LEU A 49 -8.219 -4.612 2.969 1.00 52.51 H new ATOM 0 HD11 LEU A 49 -5.976 -3.954 3.792 1.00 31.20 H new ATOM 0 HD12 LEU A 49 -5.890 -4.795 2.226 1.00 31.20 H new ATOM 0 HD13 LEU A 49 -5.707 -3.026 2.297 1.00 31.20 H new ATOM 0 HD21 LEU A 49 -7.981 -2.590 4.390 1.00 32.11 H new ATOM 0 HD22 LEU A 49 -7.830 -1.588 2.928 1.00 32.11 H new ATOM 0 HD23 LEU A 49 -9.350 -2.451 3.262 1.00 32.11 H new ATOM 830 N LYS A 50 -9.828 -4.171 -1.659 1.00 75.31 N ATOM 831 CA LYS A 50 -10.100 -3.905 -3.084 1.00 44.44 C ATOM 832 C LYS A 50 -11.590 -3.575 -3.314 1.00 64.43 C ATOM 833 O LYS A 50 -11.923 -2.781 -4.198 1.00 74.24 O ATOM 834 CB LYS A 50 -9.619 -5.077 -3.976 1.00 34.33 C ATOM 835 CG LYS A 50 -8.075 -5.233 -4.023 1.00 64.35 C ATOM 836 CD LYS A 50 -7.586 -6.263 -5.057 1.00 63.44 C ATOM 837 CE LYS A 50 -7.985 -5.898 -6.500 1.00 52.20 C ATOM 838 NZ LYS A 50 -7.369 -6.816 -7.489 1.00 65.12 N ATOM 0 H LYS A 50 -9.587 -5.140 -1.452 1.00 75.31 H new ATOM 0 HA LYS A 50 -9.527 -3.025 -3.378 1.00 44.44 H new ATOM 0 HB2 LYS A 50 -10.058 -6.005 -3.609 1.00 34.33 H new ATOM 0 HB3 LYS A 50 -9.991 -4.927 -4.989 1.00 34.33 H new ATOM 0 HG2 LYS A 50 -7.628 -4.265 -4.249 1.00 64.35 H new ATOM 0 HG3 LYS A 50 -7.719 -5.526 -3.035 1.00 64.35 H new ATOM 0 HD2 LYS A 50 -6.501 -6.346 -4.995 1.00 63.44 H new ATOM 0 HD3 LYS A 50 -7.995 -7.242 -4.809 1.00 63.44 H new ATOM 0 HE2 LYS A 50 -9.070 -5.933 -6.597 1.00 52.20 H new ATOM 0 HE3 LYS A 50 -7.679 -4.874 -6.714 1.00 52.20 H new ATOM 0 HZ1 LYS A 50 -7.880 -6.746 -8.392 1.00 65.12 H new ATOM 0 HZ2 LYS A 50 -6.373 -6.554 -7.633 1.00 65.12 H new ATOM 0 HZ3 LYS A 50 -7.422 -7.793 -7.136 1.00 65.12 H new ATOM 852 N SER A 51 -12.479 -4.156 -2.482 1.00 22.24 N ATOM 853 CA SER A 51 -13.916 -3.813 -2.478 1.00 75.30 C ATOM 854 C SER A 51 -14.148 -2.388 -1.912 1.00 41.14 C ATOM 855 O SER A 51 -15.076 -1.684 -2.333 1.00 43.23 O ATOM 856 CB SER A 51 -14.708 -4.858 -1.657 1.00 21.32 C ATOM 857 OG SER A 51 -16.102 -4.614 -1.716 1.00 64.12 O ATOM 0 H SER A 51 -12.224 -4.870 -1.800 1.00 22.24 H new ATOM 0 HA SER A 51 -14.275 -3.826 -3.507 1.00 75.30 H new ATOM 0 HB2 SER A 51 -14.496 -5.858 -2.036 1.00 21.32 H new ATOM 0 HB3 SER A 51 -14.377 -4.834 -0.619 1.00 21.32 H new ATOM 0 HG SER A 51 -16.575 -5.291 -1.189 1.00 64.12 H new ATOM 863 N GLN A 52 -13.288 -1.982 -0.954 1.00 45.44 N ATOM 864 CA GLN A 52 -13.271 -0.614 -0.380 1.00 72.02 C ATOM 865 C GLN A 52 -12.693 0.403 -1.389 1.00 44.21 C ATOM 866 O GLN A 52 -12.874 1.617 -1.227 1.00 71.52 O ATOM 867 CB GLN A 52 -12.427 -0.598 0.923 1.00 1.31 C ATOM 868 CG GLN A 52 -12.939 -1.548 2.026 1.00 53.41 C ATOM 869 CD GLN A 52 -11.979 -1.718 3.210 1.00 3.35 C ATOM 870 OE1 GLN A 52 -11.911 -2.789 3.810 1.00 74.54 O ATOM 871 NE2 GLN A 52 -11.256 -0.666 3.580 1.00 43.21 N ATOM 0 H GLN A 52 -12.580 -2.596 -0.552 1.00 45.44 H new ATOM 0 HA GLN A 52 -14.298 -0.327 -0.153 1.00 72.02 H new ATOM 0 HB2 GLN A 52 -11.399 -0.865 0.679 1.00 1.31 H new ATOM 0 HB3 GLN A 52 -12.407 0.418 1.316 1.00 1.31 H new ATOM 0 HG2 GLN A 52 -13.893 -1.173 2.398 1.00 53.41 H new ATOM 0 HG3 GLN A 52 -13.131 -2.527 1.586 1.00 53.41 H new ATOM 0 HE21 GLN A 52 -11.331 0.211 3.065 1.00 43.21 H new ATOM 0 HE22 GLN A 52 -10.626 -0.736 4.379 1.00 43.21 H new ATOM 880 N GLY A 53 -11.986 -0.112 -2.409 1.00 63.23 N ATOM 881 CA GLY A 53 -11.392 0.707 -3.457 1.00 33.31 C ATOM 882 C GLY A 53 -9.902 0.881 -3.240 1.00 2.13 C ATOM 883 O GLY A 53 -9.444 1.970 -2.897 1.00 61.32 O ATOM 0 H GLY A 53 -11.815 -1.111 -2.522 1.00 63.23 H new ATOM 0 HA2 GLY A 53 -11.569 0.244 -4.428 1.00 33.31 H new ATOM 0 HA3 GLY A 53 -11.876 1.684 -3.477 1.00 33.31 H new ATOM 887 N PHE A 54 -9.162 -0.231 -3.355 1.00 52.05 N ATOM 888 CA PHE A 54 -7.679 -0.252 -3.360 1.00 23.33 C ATOM 889 C PHE A 54 -7.212 -1.290 -4.380 1.00 13.41 C ATOM 890 O PHE A 54 -8.009 -2.091 -4.870 1.00 30.21 O ATOM 891 CB PHE A 54 -7.099 -0.621 -1.954 1.00 73.14 C ATOM 892 CG PHE A 54 -7.413 0.394 -0.859 1.00 42.25 C ATOM 893 CD1 PHE A 54 -6.859 1.672 -0.902 1.00 14.31 C ATOM 894 CD2 PHE A 54 -8.278 0.085 0.194 1.00 50.41 C ATOM 895 CE1 PHE A 54 -7.161 2.591 0.071 1.00 64.21 C ATOM 896 CE2 PHE A 54 -8.580 1.009 1.165 1.00 61.40 C ATOM 897 CZ PHE A 54 -8.021 2.260 1.102 1.00 53.00 C ATOM 0 H PHE A 54 -9.576 -1.158 -3.449 1.00 52.05 H new ATOM 0 HA PHE A 54 -7.321 0.744 -3.619 1.00 23.33 H new ATOM 0 HB2 PHE A 54 -7.492 -1.593 -1.656 1.00 73.14 H new ATOM 0 HB3 PHE A 54 -6.017 -0.726 -2.036 1.00 73.14 H new ATOM 0 HD1 PHE A 54 -6.189 1.940 -1.705 1.00 14.31 H new ATOM 0 HD2 PHE A 54 -8.718 -0.900 0.246 1.00 50.41 H new ATOM 0 HE1 PHE A 54 -6.725 3.578 0.031 1.00 64.21 H new ATOM 0 HE2 PHE A 54 -9.252 0.753 1.971 1.00 61.40 H new ATOM 0 HZ PHE A 54 -8.254 2.991 1.862 1.00 53.00 H new ATOM 907 N GLU A 55 -5.918 -1.268 -4.705 1.00 3.23 N ATOM 908 CA GLU A 55 -5.259 -2.381 -5.402 1.00 52.40 C ATOM 909 C GLU A 55 -4.331 -3.036 -4.373 1.00 52.11 C ATOM 910 O GLU A 55 -3.469 -2.364 -3.820 1.00 52.24 O ATOM 911 CB GLU A 55 -4.464 -1.893 -6.660 1.00 52.14 C ATOM 912 CG GLU A 55 -4.313 -2.947 -7.799 1.00 43.41 C ATOM 913 CD GLU A 55 -3.782 -4.326 -7.343 1.00 63.53 C ATOM 914 OE1 GLU A 55 -2.546 -4.489 -7.219 1.00 51.43 O ATOM 915 OE2 GLU A 55 -4.602 -5.240 -7.071 1.00 32.11 O ATOM 0 H GLU A 55 -5.298 -0.485 -4.496 1.00 3.23 H new ATOM 0 HA GLU A 55 -5.994 -3.091 -5.781 1.00 52.40 H new ATOM 0 HB2 GLU A 55 -4.962 -1.012 -7.065 1.00 52.14 H new ATOM 0 HB3 GLU A 55 -3.470 -1.579 -6.343 1.00 52.14 H new ATOM 0 HG2 GLU A 55 -5.283 -3.087 -8.276 1.00 43.41 H new ATOM 0 HG3 GLU A 55 -3.640 -2.547 -8.557 1.00 43.41 H new ATOM 922 N VAL A 56 -4.529 -4.335 -4.099 1.00 14.01 N ATOM 923 CA VAL A 56 -3.795 -5.044 -3.025 1.00 74.44 C ATOM 924 C VAL A 56 -3.122 -6.311 -3.596 1.00 3.21 C ATOM 925 O VAL A 56 -3.689 -6.995 -4.462 1.00 31.21 O ATOM 926 CB VAL A 56 -4.746 -5.422 -1.825 1.00 4.50 C ATOM 927 CG1 VAL A 56 -3.951 -5.963 -0.609 1.00 3.05 C ATOM 928 CG2 VAL A 56 -5.634 -4.228 -1.409 1.00 30.42 C ATOM 0 H VAL A 56 -5.192 -4.922 -4.605 1.00 14.01 H new ATOM 0 HA VAL A 56 -3.029 -4.371 -2.639 1.00 74.44 H new ATOM 0 HB VAL A 56 -5.398 -6.221 -2.178 1.00 4.50 H new ATOM 0 HG11 VAL A 56 -4.642 -6.212 0.196 1.00 3.05 H new ATOM 0 HG12 VAL A 56 -3.400 -6.856 -0.903 1.00 3.05 H new ATOM 0 HG13 VAL A 56 -3.251 -5.202 -0.264 1.00 3.05 H new ATOM 0 HG21 VAL A 56 -6.277 -4.524 -0.580 1.00 30.42 H new ATOM 0 HG22 VAL A 56 -5.002 -3.395 -1.099 1.00 30.42 H new ATOM 0 HG23 VAL A 56 -6.250 -3.921 -2.254 1.00 30.42 H new ATOM 938 N ARG A 57 -1.920 -6.626 -3.084 1.00 41.42 N ATOM 939 CA ARG A 57 -1.117 -7.760 -3.553 1.00 51.32 C ATOM 940 C ARG A 57 -0.531 -8.511 -2.352 1.00 12.05 C ATOM 941 O ARG A 57 -0.178 -7.889 -1.344 1.00 35.00 O ATOM 942 CB ARG A 57 0.031 -7.263 -4.487 1.00 40.20 C ATOM 943 CG ARG A 57 0.513 -8.306 -5.530 1.00 50.30 C ATOM 944 CD ARG A 57 -0.400 -8.365 -6.778 1.00 60.21 C ATOM 945 NE ARG A 57 -1.819 -8.556 -6.425 1.00 45.23 N ATOM 946 CZ ARG A 57 -2.500 -9.701 -6.547 1.00 64.51 C ATOM 947 NH1 ARG A 57 -1.930 -10.796 -7.035 1.00 73.42 N ATOM 948 NH2 ARG A 57 -3.731 -9.762 -6.097 1.00 23.24 N ATOM 0 H ARG A 57 -1.480 -6.097 -2.331 1.00 41.42 H new ATOM 0 HA ARG A 57 -1.757 -8.436 -4.120 1.00 51.32 H new ATOM 0 HB2 ARG A 57 -0.308 -6.371 -5.014 1.00 40.20 H new ATOM 0 HB3 ARG A 57 0.880 -6.966 -3.871 1.00 40.20 H new ATOM 0 HG2 ARG A 57 1.529 -8.062 -5.839 1.00 50.30 H new ATOM 0 HG3 ARG A 57 0.549 -9.291 -5.064 1.00 50.30 H new ATOM 0 HD2 ARG A 57 -0.291 -7.443 -7.349 1.00 60.21 H new ATOM 0 HD3 ARG A 57 -0.076 -9.181 -7.424 1.00 60.21 H new ATOM 0 HE ARG A 57 -2.323 -7.749 -6.058 1.00 45.23 H new ATOM 0 HH11 ARG A 57 -0.953 -10.776 -7.326 1.00 73.42 H new ATOM 0 HH12 ARG A 57 -2.469 -11.658 -7.119 1.00 73.42 H new ATOM 0 HH21 ARG A 57 -4.156 -8.943 -5.661 1.00 23.24 H new ATOM 0 HH22 ARG A 57 -4.263 -10.628 -6.183 1.00 23.24 H new ATOM 962 N LYS A 58 -0.434 -9.841 -2.476 1.00 65.32 N ATOM 963 CA LYS A 58 0.226 -10.691 -1.473 1.00 50.02 C ATOM 964 C LYS A 58 1.744 -10.600 -1.682 1.00 43.15 C ATOM 965 O LYS A 58 2.226 -10.782 -2.803 1.00 70.45 O ATOM 966 CB LYS A 58 -0.290 -12.163 -1.609 1.00 1.02 C ATOM 967 CG LYS A 58 0.169 -13.179 -0.514 1.00 72.04 C ATOM 968 CD LYS A 58 1.567 -13.801 -0.740 1.00 14.34 C ATOM 969 CE LYS A 58 1.673 -14.571 -2.069 1.00 71.13 C ATOM 970 NZ LYS A 58 0.631 -15.628 -2.181 1.00 44.41 N ATOM 0 H LYS A 58 -0.809 -10.358 -3.271 1.00 65.32 H new ATOM 0 HA LYS A 58 -0.009 -10.353 -0.464 1.00 50.02 H new ATOM 0 HB2 LYS A 58 -1.380 -12.141 -1.615 1.00 1.02 H new ATOM 0 HB3 LYS A 58 0.027 -12.545 -2.580 1.00 1.02 H new ATOM 0 HG2 LYS A 58 0.165 -12.674 0.452 1.00 72.04 H new ATOM 0 HG3 LYS A 58 -0.564 -13.983 -0.457 1.00 72.04 H new ATOM 0 HD2 LYS A 58 2.318 -13.011 -0.723 1.00 14.34 H new ATOM 0 HD3 LYS A 58 1.796 -14.476 0.084 1.00 14.34 H new ATOM 0 HE2 LYS A 58 1.575 -13.874 -2.901 1.00 71.13 H new ATOM 0 HE3 LYS A 58 2.661 -15.025 -2.148 1.00 71.13 H new ATOM 0 HZ1 LYS A 58 0.797 -16.190 -3.040 1.00 44.41 H new ATOM 0 HZ2 LYS A 58 0.675 -16.249 -1.348 1.00 44.41 H new ATOM 0 HZ3 LYS A 58 -0.309 -15.185 -2.233 1.00 44.41 H new ATOM 984 N VAL A 59 2.483 -10.317 -0.601 1.00 45.31 N ATOM 985 CA VAL A 59 3.960 -10.275 -0.608 1.00 22.14 C ATOM 986 C VAL A 59 4.524 -11.198 0.473 1.00 61.10 C ATOM 987 O VAL A 59 3.844 -11.520 1.456 1.00 75.34 O ATOM 988 CB VAL A 59 4.524 -8.816 -0.420 1.00 4.34 C ATOM 989 CG1 VAL A 59 4.320 -7.972 -1.701 1.00 51.41 C ATOM 990 CG2 VAL A 59 3.883 -8.138 0.812 1.00 41.12 C ATOM 0 H VAL A 59 2.075 -10.109 0.310 1.00 45.31 H new ATOM 0 HA VAL A 59 4.282 -10.622 -1.590 1.00 22.14 H new ATOM 0 HB VAL A 59 5.597 -8.885 -0.242 1.00 4.34 H new ATOM 0 HG11 VAL A 59 4.718 -6.970 -1.544 1.00 51.41 H new ATOM 0 HG12 VAL A 59 4.842 -8.443 -2.534 1.00 51.41 H new ATOM 0 HG13 VAL A 59 3.256 -7.908 -1.929 1.00 51.41 H new ATOM 0 HG21 VAL A 59 4.286 -7.131 0.924 1.00 41.12 H new ATOM 0 HG22 VAL A 59 2.803 -8.083 0.676 1.00 41.12 H new ATOM 0 HG23 VAL A 59 4.107 -8.720 1.706 1.00 41.12 H new ATOM 1000 N LYS A 60 5.783 -11.610 0.267 1.00 20.33 N ATOM 1001 CA LYS A 60 6.478 -12.574 1.129 1.00 72.12 C ATOM 1002 C LYS A 60 7.529 -11.857 1.987 1.00 43.14 C ATOM 1003 O LYS A 60 7.336 -11.650 3.185 1.00 32.13 O ATOM 1004 CB LYS A 60 7.138 -13.687 0.253 1.00 51.34 C ATOM 1005 CG LYS A 60 6.150 -14.509 -0.611 1.00 54.15 C ATOM 1006 CD LYS A 60 5.072 -15.246 0.225 1.00 70.15 C ATOM 1007 CE LYS A 60 5.661 -16.243 1.245 1.00 45.33 C ATOM 1008 NZ LYS A 60 6.470 -17.310 0.593 1.00 14.24 N ATOM 0 H LYS A 60 6.353 -11.279 -0.512 1.00 20.33 H new ATOM 0 HA LYS A 60 5.757 -13.042 1.799 1.00 72.12 H new ATOM 0 HB2 LYS A 60 7.873 -13.223 -0.404 1.00 51.34 H new ATOM 0 HB3 LYS A 60 7.681 -14.370 0.907 1.00 51.34 H new ATOM 0 HG2 LYS A 60 5.658 -13.844 -1.320 1.00 54.15 H new ATOM 0 HG3 LYS A 60 6.710 -15.240 -1.195 1.00 54.15 H new ATOM 0 HD2 LYS A 60 4.468 -14.510 0.755 1.00 70.15 H new ATOM 0 HD3 LYS A 60 4.403 -15.781 -0.449 1.00 70.15 H new ATOM 0 HE2 LYS A 60 6.284 -15.703 1.959 1.00 45.33 H new ATOM 0 HE3 LYS A 60 4.850 -16.701 1.812 1.00 45.33 H new ATOM 0 HZ1 LYS A 60 6.816 -17.974 1.315 1.00 14.24 H new ATOM 0 HZ2 LYS A 60 5.880 -17.822 -0.094 1.00 14.24 H new ATOM 0 HZ3 LYS A 60 7.280 -16.880 0.102 1.00 14.24 H new ATOM 1022 N ASP A 61 8.630 -11.456 1.345 1.00 53.41 N ATOM 1023 CA ASP A 61 9.796 -10.860 2.027 1.00 74.20 C ATOM 1024 C ASP A 61 9.747 -9.331 1.854 1.00 70.25 C ATOM 1025 O ASP A 61 9.016 -8.826 0.994 1.00 74.04 O ATOM 1026 CB ASP A 61 11.106 -11.451 1.408 1.00 25.33 C ATOM 1027 CG ASP A 61 12.337 -11.411 2.346 1.00 31.14 C ATOM 1028 OD1 ASP A 61 12.844 -10.316 2.646 1.00 55.51 O ATOM 1029 OD2 ASP A 61 12.796 -12.490 2.793 1.00 5.01 O ATOM 0 H ASP A 61 8.744 -11.533 0.334 1.00 53.41 H new ATOM 0 HA ASP A 61 9.779 -11.093 3.092 1.00 74.20 H new ATOM 0 HB2 ASP A 61 10.921 -12.485 1.117 1.00 25.33 H new ATOM 0 HB3 ASP A 61 11.342 -10.901 0.497 1.00 25.33 H new ATOM 1034 N ASP A 62 10.512 -8.594 2.670 1.00 41.14 N ATOM 1035 CA ASP A 62 10.718 -7.140 2.482 1.00 71.34 C ATOM 1036 C ASP A 62 11.608 -6.863 1.258 1.00 51.43 C ATOM 1037 O ASP A 62 11.460 -5.834 0.592 1.00 32.42 O ATOM 1038 CB ASP A 62 11.316 -6.517 3.765 1.00 23.34 C ATOM 1039 CG ASP A 62 10.320 -6.561 4.930 1.00 64.11 C ATOM 1040 OD1 ASP A 62 9.466 -5.646 5.024 1.00 13.24 O ATOM 1041 OD2 ASP A 62 10.336 -7.532 5.717 1.00 23.30 O ATOM 0 H ASP A 62 11.005 -8.979 3.475 1.00 41.14 H new ATOM 0 HA ASP A 62 9.751 -6.673 2.294 1.00 71.34 H new ATOM 0 HB2 ASP A 62 12.224 -7.053 4.041 1.00 23.34 H new ATOM 0 HB3 ASP A 62 11.603 -5.484 3.569 1.00 23.34 H new ATOM 1046 N ASP A 63 12.582 -7.759 1.043 1.00 44.12 N ATOM 1047 CA ASP A 63 13.345 -7.867 -0.220 1.00 54.42 C ATOM 1048 C ASP A 63 12.398 -7.977 -1.449 1.00 60.54 C ATOM 1049 O ASP A 63 12.625 -7.328 -2.473 1.00 73.05 O ATOM 1050 CB ASP A 63 14.308 -9.087 -0.142 1.00 64.12 C ATOM 1051 CG ASP A 63 15.153 -9.281 -1.411 1.00 11.04 C ATOM 1052 OD1 ASP A 63 16.051 -8.446 -1.663 1.00 31.55 O ATOM 1053 OD2 ASP A 63 14.893 -10.233 -2.178 1.00 71.31 O ATOM 0 H ASP A 63 12.869 -8.439 1.746 1.00 44.12 H new ATOM 0 HA ASP A 63 13.933 -6.959 -0.352 1.00 54.42 H new ATOM 0 HB2 ASP A 63 14.973 -8.961 0.712 1.00 64.12 H new ATOM 0 HB3 ASP A 63 13.725 -9.990 0.038 1.00 64.12 H new ATOM 1058 N ASP A 64 11.310 -8.764 -1.294 1.00 61.14 N ATOM 1059 CA ASP A 64 10.270 -8.960 -2.340 1.00 3.25 C ATOM 1060 C ASP A 64 9.424 -7.677 -2.500 1.00 22.11 C ATOM 1061 O ASP A 64 9.036 -7.327 -3.611 1.00 13.43 O ATOM 1062 CB ASP A 64 9.370 -10.178 -1.965 1.00 33.41 C ATOM 1063 CG ASP A 64 8.146 -10.382 -2.874 1.00 53.52 C ATOM 1064 OD1 ASP A 64 8.329 -10.680 -4.077 1.00 21.42 O ATOM 1065 OD2 ASP A 64 7.002 -10.272 -2.388 1.00 45.34 O ATOM 0 H ASP A 64 11.124 -9.285 -0.437 1.00 61.14 H new ATOM 0 HA ASP A 64 10.754 -9.166 -3.295 1.00 3.25 H new ATOM 0 HB2 ASP A 64 9.978 -11.082 -1.990 1.00 33.41 H new ATOM 0 HB3 ASP A 64 9.025 -10.054 -0.938 1.00 33.41 H new ATOM 1070 N ILE A 65 9.167 -6.999 -1.365 1.00 33.14 N ATOM 1071 CA ILE A 65 8.423 -5.712 -1.318 1.00 71.34 C ATOM 1072 C ILE A 65 9.159 -4.615 -2.107 1.00 31.42 C ATOM 1073 O ILE A 65 8.567 -3.947 -2.954 1.00 5.23 O ATOM 1074 CB ILE A 65 8.192 -5.245 0.176 1.00 12.44 C ATOM 1075 CG1 ILE A 65 7.138 -6.160 0.868 1.00 50.25 C ATOM 1076 CG2 ILE A 65 7.802 -3.741 0.287 1.00 63.41 C ATOM 1077 CD1 ILE A 65 6.918 -5.869 2.337 1.00 23.25 C ATOM 0 H ILE A 65 9.469 -7.325 -0.447 1.00 33.14 H new ATOM 0 HA ILE A 65 7.452 -5.879 -1.784 1.00 71.34 H new ATOM 0 HB ILE A 65 9.143 -5.346 0.698 1.00 12.44 H new ATOM 0 HG12 ILE A 65 6.187 -6.057 0.344 1.00 50.25 H new ATOM 0 HG13 ILE A 65 7.451 -7.199 0.760 1.00 50.25 H new ATOM 0 HG21 ILE A 65 7.657 -3.479 1.335 1.00 63.41 H new ATOM 0 HG22 ILE A 65 8.598 -3.127 -0.133 1.00 63.41 H new ATOM 0 HG23 ILE A 65 6.878 -3.563 -0.263 1.00 63.41 H new ATOM 0 HD11 ILE A 65 6.169 -6.553 2.735 1.00 23.25 H new ATOM 0 HD12 ILE A 65 7.855 -6.001 2.878 1.00 23.25 H new ATOM 0 HD13 ILE A 65 6.572 -4.842 2.457 1.00 23.25 H new ATOM 1089 N ASP A 66 10.454 -4.444 -1.807 1.00 61.45 N ATOM 1090 CA ASP A 66 11.300 -3.424 -2.444 1.00 45.35 C ATOM 1091 C ASP A 66 11.467 -3.719 -3.950 1.00 22.25 C ATOM 1092 O ASP A 66 11.479 -2.801 -4.785 1.00 41.35 O ATOM 1093 CB ASP A 66 12.668 -3.371 -1.719 1.00 4.01 C ATOM 1094 CG ASP A 66 13.541 -2.209 -2.199 1.00 42.21 C ATOM 1095 OD1 ASP A 66 13.444 -1.109 -1.620 1.00 61.24 O ATOM 1096 OD2 ASP A 66 14.292 -2.368 -3.186 1.00 61.43 O ATOM 0 H ASP A 66 10.945 -5.010 -1.115 1.00 61.45 H new ATOM 0 HA ASP A 66 10.823 -2.448 -2.359 1.00 45.35 H new ATOM 0 HB2 ASP A 66 12.503 -3.278 -0.646 1.00 4.01 H new ATOM 0 HB3 ASP A 66 13.198 -4.310 -1.880 1.00 4.01 H new ATOM 1101 N LYS A 67 11.545 -5.025 -4.263 1.00 30.54 N ATOM 1102 CA LYS A 67 11.636 -5.532 -5.645 1.00 43.45 C ATOM 1103 C LYS A 67 10.294 -5.314 -6.383 1.00 53.20 C ATOM 1104 O LYS A 67 10.265 -5.151 -7.608 1.00 53.15 O ATOM 1105 CB LYS A 67 12.030 -7.049 -5.659 1.00 0.41 C ATOM 1106 CG LYS A 67 13.171 -7.408 -6.643 1.00 62.03 C ATOM 1107 CD LYS A 67 14.571 -6.946 -6.150 1.00 4.45 C ATOM 1108 CE LYS A 67 14.992 -7.653 -4.851 1.00 72.12 C ATOM 1109 NZ LYS A 67 16.377 -7.334 -4.452 1.00 63.44 N ATOM 0 H LYS A 67 11.547 -5.764 -3.560 1.00 30.54 H new ATOM 0 HA LYS A 67 12.416 -4.976 -6.164 1.00 43.45 H new ATOM 0 HB2 LYS A 67 12.329 -7.343 -4.653 1.00 0.41 H new ATOM 0 HB3 LYS A 67 11.149 -7.638 -5.914 1.00 0.41 H new ATOM 0 HG2 LYS A 67 13.184 -8.487 -6.796 1.00 62.03 H new ATOM 0 HG3 LYS A 67 12.965 -6.951 -7.611 1.00 62.03 H new ATOM 0 HD2 LYS A 67 15.311 -7.144 -6.926 1.00 4.45 H new ATOM 0 HD3 LYS A 67 14.560 -5.868 -5.988 1.00 4.45 H new ATOM 0 HE2 LYS A 67 14.312 -7.366 -4.049 1.00 72.12 H new ATOM 0 HE3 LYS A 67 14.895 -8.731 -4.981 1.00 72.12 H new ATOM 0 HZ1 LYS A 67 16.533 -7.634 -3.469 1.00 63.44 H new ATOM 0 HZ2 LYS A 67 17.042 -7.834 -5.076 1.00 63.44 H new ATOM 0 HZ3 LYS A 67 16.533 -6.309 -4.530 1.00 63.44 H new ATOM 1123 N TRP A 68 9.190 -5.349 -5.605 1.00 30.10 N ATOM 1124 CA TRP A 68 7.820 -5.118 -6.107 1.00 34.04 C ATOM 1125 C TRP A 68 7.661 -3.666 -6.608 1.00 45.15 C ATOM 1126 O TRP A 68 6.912 -3.407 -7.547 1.00 60.04 O ATOM 1127 CB TRP A 68 6.763 -5.457 -5.003 1.00 13.31 C ATOM 1128 CG TRP A 68 5.414 -5.844 -5.542 1.00 42.50 C ATOM 1129 CD1 TRP A 68 5.003 -7.111 -5.843 1.00 73.11 C ATOM 1130 CD2 TRP A 68 4.308 -4.978 -5.844 1.00 31.03 C ATOM 1131 NE1 TRP A 68 3.725 -7.081 -6.334 1.00 60.11 N ATOM 1132 CE2 TRP A 68 3.276 -5.787 -6.340 1.00 71.12 C ATOM 1133 CE3 TRP A 68 4.093 -3.599 -5.743 1.00 40.32 C ATOM 1134 CZ2 TRP A 68 2.051 -5.264 -6.744 1.00 75.32 C ATOM 1135 CZ3 TRP A 68 2.872 -3.083 -6.142 1.00 41.24 C ATOM 1136 CH2 TRP A 68 1.864 -3.916 -6.635 1.00 31.52 C ATOM 0 H TRP A 68 9.226 -5.540 -4.604 1.00 30.10 H new ATOM 0 HA TRP A 68 7.645 -5.784 -6.952 1.00 34.04 H new ATOM 0 HB2 TRP A 68 7.144 -6.273 -4.389 1.00 13.31 H new ATOM 0 HB3 TRP A 68 6.647 -4.593 -4.349 1.00 13.31 H new ATOM 0 HD1 TRP A 68 5.597 -8.003 -5.713 1.00 73.11 H new ATOM 0 HE1 TRP A 68 3.192 -7.893 -6.646 1.00 60.11 H new ATOM 0 HE3 TRP A 68 4.866 -2.949 -5.361 1.00 40.32 H new ATOM 0 HZ2 TRP A 68 1.273 -5.905 -7.132 1.00 75.32 H new ATOM 0 HZ3 TRP A 68 2.696 -2.020 -6.071 1.00 41.24 H new ATOM 0 HH2 TRP A 68 0.920 -3.486 -6.935 1.00 31.52 H new ATOM 1147 N ILE A 69 8.395 -2.734 -5.981 1.00 31.11 N ATOM 1148 CA ILE A 69 8.418 -1.313 -6.392 1.00 2.33 C ATOM 1149 C ILE A 69 9.418 -1.125 -7.545 1.00 54.23 C ATOM 1150 O ILE A 69 9.192 -0.312 -8.451 1.00 32.34 O ATOM 1151 CB ILE A 69 8.747 -0.352 -5.169 1.00 25.50 C ATOM 1152 CG1 ILE A 69 7.479 -0.138 -4.269 1.00 44.21 C ATOM 1153 CG2 ILE A 69 9.326 1.016 -5.620 1.00 44.25 C ATOM 1154 CD1 ILE A 69 6.970 -1.377 -3.558 1.00 53.20 C ATOM 0 H ILE A 69 8.989 -2.938 -5.177 1.00 31.11 H new ATOM 0 HA ILE A 69 7.424 -1.037 -6.743 1.00 2.33 H new ATOM 0 HB ILE A 69 9.520 -0.849 -4.583 1.00 25.50 H new ATOM 0 HG12 ILE A 69 7.709 0.621 -3.521 1.00 44.21 H new ATOM 0 HG13 ILE A 69 6.676 0.260 -4.890 1.00 44.21 H new ATOM 0 HG21 ILE A 69 9.532 1.631 -4.744 1.00 44.25 H new ATOM 0 HG22 ILE A 69 10.250 0.855 -6.175 1.00 44.25 H new ATOM 0 HG23 ILE A 69 8.603 1.524 -6.258 1.00 44.25 H new ATOM 0 HD11 ILE A 69 6.093 -1.121 -2.964 1.00 53.20 H new ATOM 0 HD12 ILE A 69 6.701 -2.134 -4.294 1.00 53.20 H new ATOM 0 HD13 ILE A 69 7.750 -1.767 -2.904 1.00 53.20 H new ATOM 1166 N ASP A 70 10.517 -1.904 -7.501 1.00 40.14 N ATOM 1167 CA ASP A 70 11.545 -1.905 -8.554 1.00 40.44 C ATOM 1168 C ASP A 70 10.926 -2.239 -9.927 1.00 11.21 C ATOM 1169 O ASP A 70 11.237 -1.586 -10.932 1.00 34.15 O ATOM 1170 CB ASP A 70 12.691 -2.895 -8.190 1.00 2.30 C ATOM 1171 CG ASP A 70 13.813 -2.922 -9.241 1.00 15.33 C ATOM 1172 OD1 ASP A 70 14.623 -1.973 -9.276 1.00 71.43 O ATOM 1173 OD2 ASP A 70 13.874 -3.877 -10.050 1.00 41.24 O ATOM 0 H ASP A 70 10.714 -2.548 -6.735 1.00 40.14 H new ATOM 0 HA ASP A 70 11.973 -0.905 -8.624 1.00 40.44 H new ATOM 0 HB2 ASP A 70 13.112 -2.617 -7.224 1.00 2.30 H new ATOM 0 HB3 ASP A 70 12.278 -3.898 -8.081 1.00 2.30 H new ATOM 1178 N LYS A 71 10.012 -3.235 -9.942 1.00 55.34 N ATOM 1179 CA LYS A 71 9.299 -3.634 -11.165 1.00 34.50 C ATOM 1180 C LYS A 71 8.214 -2.608 -11.557 1.00 33.44 C ATOM 1181 O LYS A 71 7.912 -2.498 -12.737 1.00 3.51 O ATOM 1182 CB LYS A 71 8.703 -5.067 -11.038 1.00 54.40 C ATOM 1183 CG LYS A 71 7.564 -5.236 -10.008 1.00 35.40 C ATOM 1184 CD LYS A 71 7.056 -6.697 -9.850 1.00 42.54 C ATOM 1185 CE LYS A 71 8.025 -7.629 -9.083 1.00 24.22 C ATOM 1186 NZ LYS A 71 9.281 -7.930 -9.825 1.00 42.22 N ATOM 0 H LYS A 71 9.754 -3.775 -9.116 1.00 55.34 H new ATOM 0 HA LYS A 71 10.033 -3.653 -11.970 1.00 34.50 H new ATOM 0 HB2 LYS A 71 8.331 -5.372 -12.016 1.00 54.40 H new ATOM 0 HB3 LYS A 71 9.509 -5.753 -10.775 1.00 54.40 H new ATOM 0 HG2 LYS A 71 7.910 -4.877 -9.039 1.00 35.40 H new ATOM 0 HG3 LYS A 71 6.727 -4.602 -10.302 1.00 35.40 H new ATOM 0 HD2 LYS A 71 6.098 -6.682 -9.331 1.00 42.54 H new ATOM 0 HD3 LYS A 71 6.875 -7.116 -10.840 1.00 42.54 H new ATOM 0 HE2 LYS A 71 8.279 -7.168 -8.129 1.00 24.22 H new ATOM 0 HE3 LYS A 71 7.513 -8.565 -8.858 1.00 24.22 H new ATOM 0 HZ1 LYS A 71 9.533 -8.930 -9.689 1.00 42.22 H new ATOM 0 HZ2 LYS A 71 9.139 -7.743 -10.838 1.00 42.22 H new ATOM 0 HZ3 LYS A 71 10.049 -7.327 -9.466 1.00 42.22 H new ATOM 1200 N ILE A 72 7.642 -1.855 -10.569 1.00 61.33 N ATOM 1201 CA ILE A 72 6.722 -0.711 -10.859 1.00 24.04 C ATOM 1202 C ILE A 72 7.458 0.347 -11.699 1.00 70.11 C ATOM 1203 O ILE A 72 6.893 0.915 -12.633 1.00 33.24 O ATOM 1204 CB ILE A 72 6.158 -0.009 -9.551 1.00 75.30 C ATOM 1205 CG1 ILE A 72 5.228 -0.955 -8.739 1.00 44.44 C ATOM 1206 CG2 ILE A 72 5.421 1.325 -9.873 1.00 30.40 C ATOM 1207 CD1 ILE A 72 4.713 -0.350 -7.432 1.00 63.20 C ATOM 0 H ILE A 72 7.800 -2.018 -9.575 1.00 61.33 H new ATOM 0 HA ILE A 72 5.874 -1.131 -11.401 1.00 24.04 H new ATOM 0 HB ILE A 72 7.026 0.226 -8.935 1.00 75.30 H new ATOM 0 HG12 ILE A 72 4.376 -1.231 -9.360 1.00 44.44 H new ATOM 0 HG13 ILE A 72 5.769 -1.874 -8.514 1.00 44.44 H new ATOM 0 HG21 ILE A 72 5.052 1.769 -8.948 1.00 30.40 H new ATOM 0 HG22 ILE A 72 6.112 2.015 -10.357 1.00 30.40 H new ATOM 0 HG23 ILE A 72 4.582 1.125 -10.539 1.00 30.40 H new ATOM 0 HD11 ILE A 72 4.072 -1.071 -6.925 1.00 63.20 H new ATOM 0 HD12 ILE A 72 5.557 -0.100 -6.789 1.00 63.20 H new ATOM 0 HD13 ILE A 72 4.142 0.553 -7.649 1.00 63.20 H new ATOM 1219 N LYS A 73 8.732 0.587 -11.361 1.00 62.22 N ATOM 1220 CA LYS A 73 9.564 1.574 -12.061 1.00 12.35 C ATOM 1221 C LYS A 73 9.808 1.167 -13.537 1.00 32.21 C ATOM 1222 O LYS A 73 10.237 1.995 -14.343 1.00 31.40 O ATOM 1223 CB LYS A 73 10.904 1.779 -11.310 1.00 42.54 C ATOM 1224 CG LYS A 73 10.751 2.287 -9.854 1.00 75.13 C ATOM 1225 CD LYS A 73 12.107 2.625 -9.196 1.00 20.42 C ATOM 1226 CE LYS A 73 13.058 1.418 -9.148 1.00 52.33 C ATOM 1227 NZ LYS A 73 14.366 1.758 -8.542 1.00 4.54 N ATOM 0 H LYS A 73 9.212 0.106 -10.600 1.00 62.22 H new ATOM 0 HA LYS A 73 9.026 2.522 -12.072 1.00 12.35 H new ATOM 0 HB2 LYS A 73 11.447 0.834 -11.297 1.00 42.54 H new ATOM 0 HB3 LYS A 73 11.514 2.490 -11.868 1.00 42.54 H new ATOM 0 HG2 LYS A 73 10.117 3.174 -9.847 1.00 75.13 H new ATOM 0 HG3 LYS A 73 10.243 1.528 -9.260 1.00 75.13 H new ATOM 0 HD2 LYS A 73 12.582 3.436 -9.748 1.00 20.42 H new ATOM 0 HD3 LYS A 73 11.935 2.988 -8.183 1.00 20.42 H new ATOM 0 HE2 LYS A 73 12.593 0.614 -8.577 1.00 52.33 H new ATOM 0 HE3 LYS A 73 13.215 1.041 -10.159 1.00 52.33 H new ATOM 0 HZ1 LYS A 73 14.973 0.914 -8.531 1.00 4.54 H new ATOM 0 HZ2 LYS A 73 14.823 2.507 -9.101 1.00 4.54 H new ATOM 0 HZ3 LYS A 73 14.221 2.093 -7.568 1.00 4.54 H new ATOM 1241 N LYS A 74 9.570 -0.123 -13.869 1.00 72.53 N ATOM 1242 CA LYS A 74 9.592 -0.625 -15.259 1.00 25.21 C ATOM 1243 C LYS A 74 8.184 -0.577 -15.901 1.00 51.20 C ATOM 1244 O LYS A 74 8.029 -0.130 -17.049 1.00 23.22 O ATOM 1245 CB LYS A 74 10.151 -2.074 -15.285 1.00 30.50 C ATOM 1246 CG LYS A 74 10.212 -2.721 -16.692 1.00 63.25 C ATOM 1247 CD LYS A 74 10.849 -4.133 -16.695 1.00 14.22 C ATOM 1248 CE LYS A 74 12.317 -4.137 -16.222 1.00 73.01 C ATOM 1249 NZ LYS A 74 12.890 -5.510 -16.199 1.00 33.31 N ATOM 0 H LYS A 74 9.357 -0.844 -13.179 1.00 72.53 H new ATOM 0 HA LYS A 74 10.243 0.023 -15.846 1.00 25.21 H new ATOM 0 HB2 LYS A 74 11.154 -2.069 -14.859 1.00 30.50 H new ATOM 0 HB3 LYS A 74 9.533 -2.699 -14.640 1.00 30.50 H new ATOM 0 HG2 LYS A 74 9.202 -2.786 -17.098 1.00 63.25 H new ATOM 0 HG3 LYS A 74 10.782 -2.072 -17.357 1.00 63.25 H new ATOM 0 HD2 LYS A 74 10.264 -4.790 -16.051 1.00 14.22 H new ATOM 0 HD3 LYS A 74 10.797 -4.546 -17.702 1.00 14.22 H new ATOM 0 HE2 LYS A 74 12.913 -3.506 -16.882 1.00 73.01 H new ATOM 0 HE3 LYS A 74 12.378 -3.702 -15.225 1.00 73.01 H new ATOM 0 HZ1 LYS A 74 13.878 -5.469 -15.876 1.00 33.31 H new ATOM 0 HZ2 LYS A 74 12.338 -6.106 -15.550 1.00 33.31 H new ATOM 0 HZ3 LYS A 74 12.856 -5.917 -17.156 1.00 33.31 H new ATOM 1263 N GLU A 75 7.168 -1.040 -15.147 1.00 51.34 N ATOM 1264 CA GLU A 75 5.795 -1.239 -15.660 1.00 22.53 C ATOM 1265 C GLU A 75 5.070 0.103 -15.867 1.00 25.41 C ATOM 1266 O GLU A 75 4.538 0.386 -16.943 1.00 54.04 O ATOM 1267 CB GLU A 75 4.976 -2.144 -14.687 1.00 31.34 C ATOM 1268 CG GLU A 75 5.535 -3.571 -14.486 1.00 31.21 C ATOM 1269 CD GLU A 75 5.608 -4.377 -15.792 1.00 4.42 C ATOM 1270 OE1 GLU A 75 4.577 -4.959 -16.193 1.00 65.40 O ATOM 1271 OE2 GLU A 75 6.681 -4.396 -16.442 1.00 2.21 O ATOM 0 H GLU A 75 7.275 -1.287 -14.163 1.00 51.34 H new ATOM 0 HA GLU A 75 5.873 -1.733 -16.628 1.00 22.53 H new ATOM 0 HB2 GLU A 75 4.924 -1.652 -13.716 1.00 31.34 H new ATOM 0 HB3 GLU A 75 3.955 -2.221 -15.061 1.00 31.34 H new ATOM 0 HG2 GLU A 75 6.532 -3.507 -14.049 1.00 31.21 H new ATOM 0 HG3 GLU A 75 4.908 -4.104 -13.771 1.00 31.21 H new ATOM 1278 N ARG A 76 5.069 0.922 -14.805 1.00 63.22 N ATOM 1279 CA ARG A 76 4.339 2.201 -14.745 1.00 34.21 C ATOM 1280 C ARG A 76 5.191 3.278 -14.008 1.00 51.02 C ATOM 1281 O ARG A 76 4.986 3.563 -12.830 1.00 11.41 O ATOM 1282 CB ARG A 76 2.941 1.944 -14.093 1.00 42.44 C ATOM 1283 CG ARG A 76 2.962 1.284 -12.683 1.00 14.54 C ATOM 1284 CD ARG A 76 1.632 0.618 -12.289 1.00 2.00 C ATOM 1285 NE ARG A 76 1.388 -0.614 -13.067 1.00 32.22 N ATOM 1286 CZ ARG A 76 0.606 -1.636 -12.684 1.00 52.21 C ATOM 1287 NH1 ARG A 76 -0.039 -1.612 -11.527 1.00 64.11 N ATOM 1288 NH2 ARG A 76 0.486 -2.691 -13.454 1.00 10.42 N ATOM 0 H ARG A 76 5.583 0.713 -13.949 1.00 63.22 H new ATOM 0 HA ARG A 76 4.165 2.602 -15.743 1.00 34.21 H new ATOM 0 HB2 ARG A 76 2.415 2.896 -14.020 1.00 42.44 H new ATOM 0 HB3 ARG A 76 2.360 1.309 -14.762 1.00 42.44 H new ATOM 0 HG2 ARG A 76 3.755 0.536 -12.654 1.00 14.54 H new ATOM 0 HG3 ARG A 76 3.212 2.042 -11.941 1.00 14.54 H new ATOM 0 HD2 ARG A 76 1.645 0.380 -11.225 1.00 2.00 H new ATOM 0 HD3 ARG A 76 0.812 1.318 -12.449 1.00 2.00 H new ATOM 0 HE ARG A 76 1.853 -0.695 -13.971 1.00 32.22 H new ATOM 0 HH11 ARG A 76 0.054 -0.806 -10.908 1.00 64.11 H new ATOM 0 HH12 ARG A 76 -0.628 -2.399 -11.255 1.00 64.11 H new ATOM 0 HH21 ARG A 76 0.986 -2.734 -14.342 1.00 10.42 H new ATOM 0 HH22 ARG A 76 -0.108 -3.469 -13.165 1.00 10.42 H new ATOM 1302 N PRO A 77 6.222 3.858 -14.694 1.00 41.42 N ATOM 1303 CA PRO A 77 7.070 4.919 -14.110 1.00 11.33 C ATOM 1304 C PRO A 77 6.568 6.355 -14.401 1.00 3.43 C ATOM 1305 O PRO A 77 7.313 7.320 -14.215 1.00 43.52 O ATOM 1306 CB PRO A 77 8.428 4.641 -14.788 1.00 40.43 C ATOM 1307 CG PRO A 77 8.079 4.140 -16.170 1.00 73.42 C ATOM 1308 CD PRO A 77 6.690 3.500 -16.066 1.00 74.35 C ATOM 0 HA PRO A 77 7.089 4.888 -13.021 1.00 11.33 H new ATOM 0 HB2 PRO A 77 9.037 5.544 -14.837 1.00 40.43 H new ATOM 0 HB3 PRO A 77 9.002 3.899 -14.233 1.00 40.43 H new ATOM 0 HG2 PRO A 77 8.075 4.959 -16.889 1.00 73.42 H new ATOM 0 HG3 PRO A 77 8.815 3.414 -16.516 1.00 73.42 H new ATOM 0 HD2 PRO A 77 6.015 3.886 -16.830 1.00 74.35 H new ATOM 0 HD3 PRO A 77 6.739 2.419 -16.201 1.00 74.35 H new ATOM 1316 N GLN A 78 5.307 6.491 -14.850 1.00 63.23 N ATOM 1317 CA GLN A 78 4.698 7.809 -15.165 1.00 23.22 C ATOM 1318 C GLN A 78 3.944 8.392 -13.940 1.00 72.43 C ATOM 1319 O GLN A 78 3.193 9.372 -14.058 1.00 33.02 O ATOM 1320 CB GLN A 78 3.756 7.660 -16.382 1.00 2.31 C ATOM 1321 CG GLN A 78 4.434 7.057 -17.640 1.00 51.23 C ATOM 1322 CD GLN A 78 3.490 6.850 -18.838 1.00 55.53 C ATOM 1323 OE1 GLN A 78 2.224 6.534 -18.581 1.00 61.32 O flip ATOM 1324 NE2 GLN A 78 3.905 6.955 -19.993 1.00 31.40 N flip ATOM 0 H GLN A 78 4.681 5.701 -15.006 1.00 63.23 H new ATOM 0 HA GLN A 78 5.492 8.513 -15.413 1.00 23.22 H new ATOM 0 HB2 GLN A 78 2.913 7.029 -16.100 1.00 2.31 H new ATOM 0 HB3 GLN A 78 3.351 8.639 -16.636 1.00 2.31 H new ATOM 0 HG2 GLN A 78 5.250 7.711 -17.946 1.00 51.23 H new ATOM 0 HG3 GLN A 78 4.877 6.098 -17.373 1.00 51.23 H new ATOM 0 HE21 GLN A 78 4.881 7.199 -20.164 1.00 31.40 H new ATOM 0 HE22 GLN A 78 3.273 6.798 -20.778 1.00 31.40 H new ATOM 1333 N LEU A 79 4.179 7.776 -12.772 1.00 61.13 N ATOM 1334 CA LEU A 79 3.627 8.196 -11.478 1.00 14.13 C ATOM 1335 C LEU A 79 4.706 8.046 -10.378 1.00 42.34 C ATOM 1336 O LEU A 79 5.643 7.253 -10.525 1.00 15.30 O ATOM 1337 CB LEU A 79 2.331 7.364 -11.176 1.00 55.21 C ATOM 1338 CG LEU A 79 2.351 5.827 -11.571 1.00 21.53 C ATOM 1339 CD1 LEU A 79 3.293 4.994 -10.678 1.00 75.20 C ATOM 1340 CD2 LEU A 79 0.923 5.229 -11.578 1.00 2.41 C ATOM 0 H LEU A 79 4.774 6.951 -12.701 1.00 61.13 H new ATOM 0 HA LEU A 79 3.342 9.248 -11.503 1.00 14.13 H new ATOM 0 HB2 LEU A 79 2.124 7.436 -10.108 1.00 55.21 H new ATOM 0 HB3 LEU A 79 1.497 7.836 -11.695 1.00 55.21 H new ATOM 0 HG LEU A 79 2.750 5.775 -12.584 1.00 21.53 H new ATOM 0 HD11 LEU A 79 3.266 3.951 -10.994 1.00 75.20 H new ATOM 0 HD12 LEU A 79 4.310 5.374 -10.768 1.00 75.20 H new ATOM 0 HD13 LEU A 79 2.969 5.067 -9.640 1.00 75.20 H new ATOM 0 HD21 LEU A 79 0.971 4.175 -11.852 1.00 2.41 H new ATOM 0 HD22 LEU A 79 0.483 5.326 -10.585 1.00 2.41 H new ATOM 0 HD23 LEU A 79 0.308 5.764 -12.301 1.00 2.41 H new ATOM 1352 N GLU A 80 4.570 8.815 -9.284 1.00 54.41 N ATOM 1353 CA GLU A 80 5.522 8.773 -8.149 1.00 2.11 C ATOM 1354 C GLU A 80 5.249 7.549 -7.267 1.00 14.45 C ATOM 1355 O GLU A 80 4.102 7.162 -7.126 1.00 43.35 O ATOM 1356 CB GLU A 80 5.412 10.068 -7.314 1.00 54.25 C ATOM 1357 CG GLU A 80 5.692 11.352 -8.109 1.00 4.02 C ATOM 1358 CD GLU A 80 7.071 11.329 -8.782 1.00 11.21 C ATOM 1359 OE1 GLU A 80 8.092 11.465 -8.074 1.00 4.11 O ATOM 1360 OE2 GLU A 80 7.153 11.144 -10.014 1.00 74.14 O ATOM 0 H GLU A 80 3.806 9.479 -9.157 1.00 54.41 H new ATOM 0 HA GLU A 80 6.534 8.695 -8.546 1.00 2.11 H new ATOM 0 HB2 GLU A 80 4.411 10.129 -6.887 1.00 54.25 H new ATOM 0 HB3 GLU A 80 6.111 10.010 -6.480 1.00 54.25 H new ATOM 0 HG2 GLU A 80 4.921 11.482 -8.869 1.00 4.02 H new ATOM 0 HG3 GLU A 80 5.630 12.211 -7.441 1.00 4.02 H new ATOM 1367 N VAL A 81 6.307 6.945 -6.689 1.00 15.34 N ATOM 1368 CA VAL A 81 6.195 5.720 -5.868 1.00 11.45 C ATOM 1369 C VAL A 81 6.915 5.930 -4.513 1.00 44.34 C ATOM 1370 O VAL A 81 8.105 6.251 -4.489 1.00 75.04 O ATOM 1371 CB VAL A 81 6.815 4.458 -6.589 1.00 34.22 C ATOM 1372 CG1 VAL A 81 6.396 3.162 -5.859 1.00 25.43 C ATOM 1373 CG2 VAL A 81 6.446 4.402 -8.094 1.00 31.24 C ATOM 0 H VAL A 81 7.262 7.291 -6.777 1.00 15.34 H new ATOM 0 HA VAL A 81 5.133 5.532 -5.713 1.00 11.45 H new ATOM 0 HB VAL A 81 7.900 4.550 -6.539 1.00 34.22 H new ATOM 0 HG11 VAL A 81 6.831 2.301 -6.367 1.00 25.43 H new ATOM 0 HG12 VAL A 81 6.752 3.193 -4.829 1.00 25.43 H new ATOM 0 HG13 VAL A 81 5.309 3.076 -5.865 1.00 25.43 H new ATOM 0 HG21 VAL A 81 6.895 3.518 -8.546 1.00 31.24 H new ATOM 0 HG22 VAL A 81 5.362 4.354 -8.201 1.00 31.24 H new ATOM 0 HG23 VAL A 81 6.821 5.295 -8.594 1.00 31.24 H new ATOM 1383 N ARG A 82 6.175 5.769 -3.407 1.00 61.40 N ATOM 1384 CA ARG A 82 6.722 5.841 -2.032 1.00 14.24 C ATOM 1385 C ARG A 82 6.315 4.566 -1.258 1.00 63.13 C ATOM 1386 O ARG A 82 5.179 4.127 -1.382 1.00 34.12 O ATOM 1387 CB ARG A 82 6.165 7.120 -1.341 1.00 73.44 C ATOM 1388 CG ARG A 82 6.596 7.338 0.129 1.00 44.22 C ATOM 1389 CD ARG A 82 8.114 7.499 0.306 1.00 10.14 C ATOM 1390 NE ARG A 82 8.660 8.623 -0.484 1.00 51.33 N ATOM 1391 CZ ARG A 82 9.691 9.412 -0.115 1.00 11.34 C ATOM 1392 NH1 ARG A 82 10.319 9.229 1.052 1.00 62.22 N ATOM 1393 NH2 ARG A 82 10.090 10.376 -0.926 1.00 21.54 N ATOM 0 H ARG A 82 5.172 5.584 -3.435 1.00 61.40 H new ATOM 0 HA ARG A 82 7.810 5.898 -2.050 1.00 14.24 H new ATOM 0 HB2 ARG A 82 6.476 7.988 -1.923 1.00 73.44 H new ATOM 0 HB3 ARG A 82 5.076 7.084 -1.378 1.00 73.44 H new ATOM 0 HG2 ARG A 82 6.097 8.226 0.518 1.00 44.22 H new ATOM 0 HG3 ARG A 82 6.256 6.493 0.728 1.00 44.22 H new ATOM 0 HD2 ARG A 82 8.339 7.657 1.361 1.00 10.14 H new ATOM 0 HD3 ARG A 82 8.611 6.575 0.009 1.00 10.14 H new ATOM 0 HE ARG A 82 8.221 8.819 -1.383 1.00 51.33 H new ATOM 0 HH11 ARG A 82 10.021 8.483 1.680 1.00 62.22 H new ATOM 0 HH12 ARG A 82 11.096 9.836 1.313 1.00 62.22 H new ATOM 0 HH21 ARG A 82 9.620 10.517 -1.820 1.00 21.54 H new ATOM 0 HH22 ARG A 82 10.868 10.979 -0.658 1.00 21.54 H new ATOM 1407 N LYS A 83 7.248 3.982 -0.472 1.00 24.23 N ATOM 1408 CA LYS A 83 6.960 2.788 0.362 1.00 41.21 C ATOM 1409 C LYS A 83 6.693 3.224 1.807 1.00 63.51 C ATOM 1410 O LYS A 83 7.427 4.050 2.359 1.00 34.42 O ATOM 1411 CB LYS A 83 8.122 1.763 0.354 1.00 31.45 C ATOM 1412 CG LYS A 83 8.536 1.261 -1.043 1.00 64.24 C ATOM 1413 CD LYS A 83 9.412 -0.018 -0.994 1.00 43.02 C ATOM 1414 CE LYS A 83 10.635 0.104 -0.069 1.00 43.50 C ATOM 1415 NZ LYS A 83 11.511 1.257 -0.415 1.00 74.34 N ATOM 0 H LYS A 83 8.208 4.317 -0.396 1.00 24.23 H new ATOM 0 HA LYS A 83 6.083 2.302 -0.066 1.00 41.21 H new ATOM 0 HB2 LYS A 83 8.990 2.216 0.833 1.00 31.45 H new ATOM 0 HB3 LYS A 83 7.834 0.905 0.962 1.00 31.45 H new ATOM 0 HG2 LYS A 83 7.640 1.059 -1.630 1.00 64.24 H new ATOM 0 HG3 LYS A 83 9.084 2.050 -1.559 1.00 64.24 H new ATOM 0 HD2 LYS A 83 8.798 -0.855 -0.661 1.00 43.02 H new ATOM 0 HD3 LYS A 83 9.752 -0.253 -2.002 1.00 43.02 H new ATOM 0 HE2 LYS A 83 10.296 0.209 0.962 1.00 43.50 H new ATOM 0 HE3 LYS A 83 11.217 -0.816 -0.121 1.00 43.50 H new ATOM 0 HZ1 LYS A 83 12.335 1.269 0.219 1.00 74.34 H new ATOM 0 HZ2 LYS A 83 11.833 1.165 -1.400 1.00 74.34 H new ATOM 0 HZ3 LYS A 83 10.978 2.143 -0.306 1.00 74.34 H new ATOM 1429 N VAL A 84 5.631 2.672 2.393 1.00 63.21 N ATOM 1430 CA VAL A 84 5.204 2.950 3.765 1.00 62.41 C ATOM 1431 C VAL A 84 5.087 1.632 4.553 1.00 35.31 C ATOM 1432 O VAL A 84 4.089 0.925 4.449 1.00 63.24 O ATOM 1433 CB VAL A 84 3.829 3.722 3.737 1.00 71.13 C ATOM 1434 CG1 VAL A 84 3.162 3.796 5.123 1.00 14.11 C ATOM 1435 CG2 VAL A 84 4.014 5.142 3.140 1.00 23.23 C ATOM 0 H VAL A 84 5.028 2.002 1.915 1.00 63.21 H new ATOM 0 HA VAL A 84 5.943 3.577 4.265 1.00 62.41 H new ATOM 0 HB VAL A 84 3.157 3.152 3.095 1.00 71.13 H new ATOM 0 HG11 VAL A 84 2.219 4.338 5.045 1.00 14.11 H new ATOM 0 HG12 VAL A 84 2.971 2.787 5.489 1.00 14.11 H new ATOM 0 HG13 VAL A 84 3.822 4.315 5.817 1.00 14.11 H new ATOM 0 HG21 VAL A 84 3.055 5.660 3.129 1.00 23.23 H new ATOM 0 HG22 VAL A 84 4.722 5.703 3.749 1.00 23.23 H new ATOM 0 HG23 VAL A 84 4.395 5.062 2.122 1.00 23.23 H new ATOM 1445 N THR A 85 6.141 1.285 5.292 1.00 5.05 N ATOM 1446 CA THR A 85 6.165 0.086 6.152 1.00 31.53 C ATOM 1447 C THR A 85 5.559 0.393 7.540 1.00 11.32 C ATOM 1448 O THR A 85 4.878 -0.450 8.122 1.00 21.02 O ATOM 1449 CB THR A 85 7.627 -0.442 6.302 1.00 74.22 C ATOM 1450 OG1 THR A 85 8.471 0.623 6.773 1.00 11.33 O ATOM 1451 CG2 THR A 85 8.181 -0.987 4.969 1.00 4.55 C ATOM 0 H THR A 85 7.007 1.824 5.316 1.00 5.05 H new ATOM 0 HA THR A 85 5.559 -0.687 5.679 1.00 31.53 H new ATOM 0 HB THR A 85 7.616 -1.264 7.018 1.00 74.22 H new ATOM 0 HG1 THR A 85 8.250 0.827 7.706 1.00 11.33 H new ATOM 0 HG21 THR A 85 9.200 -1.344 5.117 1.00 4.55 H new ATOM 0 HG22 THR A 85 7.555 -1.810 4.624 1.00 4.55 H new ATOM 0 HG23 THR A 85 8.180 -0.193 4.223 1.00 4.55 H new ATOM 1459 N ASP A 86 5.830 1.607 8.057 1.00 23.35 N ATOM 1460 CA ASP A 86 5.332 2.068 9.380 1.00 51.11 C ATOM 1461 C ASP A 86 4.073 2.914 9.217 1.00 61.33 C ATOM 1462 O ASP A 86 3.911 3.581 8.190 1.00 44.31 O ATOM 1463 CB ASP A 86 6.409 2.915 10.110 1.00 11.32 C ATOM 1464 CG ASP A 86 7.666 2.103 10.427 1.00 41.40 C ATOM 1465 OD1 ASP A 86 8.486 1.885 9.515 1.00 14.41 O ATOM 1466 OD2 ASP A 86 7.822 1.652 11.577 1.00 35.03 O ATOM 0 H ASP A 86 6.400 2.301 7.573 1.00 23.35 H new ATOM 0 HA ASP A 86 5.104 1.181 9.971 1.00 51.11 H new ATOM 0 HB2 ASP A 86 6.678 3.770 9.490 1.00 11.32 H new ATOM 0 HB3 ASP A 86 5.991 3.311 11.036 1.00 11.32 H new ATOM 1471 N GLU A 87 3.211 2.905 10.250 1.00 64.44 N ATOM 1472 CA GLU A 87 2.028 3.789 10.321 1.00 22.02 C ATOM 1473 C GLU A 87 2.452 5.265 10.285 1.00 24.25 C ATOM 1474 O GLU A 87 1.805 6.073 9.637 1.00 74.31 O ATOM 1475 CB GLU A 87 1.221 3.542 11.617 1.00 2.54 C ATOM 1476 CG GLU A 87 -0.107 4.349 11.708 1.00 43.35 C ATOM 1477 CD GLU A 87 -0.653 4.503 13.138 1.00 11.12 C ATOM 1478 OE1 GLU A 87 -1.008 3.479 13.760 1.00 40.15 O ATOM 1479 OE2 GLU A 87 -0.748 5.653 13.640 1.00 15.04 O ATOM 0 H GLU A 87 3.312 2.289 11.057 1.00 64.44 H new ATOM 0 HA GLU A 87 1.404 3.560 9.457 1.00 22.02 H new ATOM 0 HB2 GLU A 87 0.992 2.479 11.692 1.00 2.54 H new ATOM 0 HB3 GLU A 87 1.846 3.795 12.474 1.00 2.54 H new ATOM 0 HG2 GLU A 87 0.053 5.340 11.283 1.00 43.35 H new ATOM 0 HG3 GLU A 87 -0.861 3.857 11.094 1.00 43.35 H new ATOM 1486 N ASP A 88 3.569 5.576 10.988 1.00 54.01 N ATOM 1487 CA ASP A 88 4.154 6.937 11.085 1.00 12.41 C ATOM 1488 C ASP A 88 4.431 7.538 9.691 1.00 11.22 C ATOM 1489 O ASP A 88 4.277 8.747 9.476 1.00 63.14 O ATOM 1490 CB ASP A 88 5.461 6.878 11.930 1.00 42.14 C ATOM 1491 CG ASP A 88 6.193 8.227 12.033 1.00 30.11 C ATOM 1492 OD1 ASP A 88 5.621 9.172 12.612 1.00 31.04 O ATOM 1493 OD2 ASP A 88 7.310 8.365 11.481 1.00 32.30 O ATOM 0 H ASP A 88 4.097 4.878 11.512 1.00 54.01 H new ATOM 0 HA ASP A 88 3.433 7.590 11.577 1.00 12.41 H new ATOM 0 HB2 ASP A 88 5.219 6.529 12.934 1.00 42.14 H new ATOM 0 HB3 ASP A 88 6.134 6.142 11.490 1.00 42.14 H new ATOM 1498 N GLN A 89 4.810 6.655 8.754 1.00 40.44 N ATOM 1499 CA GLN A 89 5.105 7.017 7.359 1.00 2.33 C ATOM 1500 C GLN A 89 3.795 7.250 6.577 1.00 70.44 C ATOM 1501 O GLN A 89 3.761 8.073 5.663 1.00 32.43 O ATOM 1502 CB GLN A 89 5.982 5.913 6.708 1.00 22.33 C ATOM 1503 CG GLN A 89 7.265 5.603 7.513 1.00 71.23 C ATOM 1504 CD GLN A 89 8.084 4.441 6.957 1.00 51.33 C ATOM 1505 OE1 GLN A 89 7.558 3.541 6.311 1.00 72.44 O ATOM 1506 NE2 GLN A 89 9.376 4.425 7.244 1.00 65.32 N ATOM 0 H GLN A 89 4.921 5.659 8.946 1.00 40.44 H new ATOM 0 HA GLN A 89 5.667 7.951 7.333 1.00 2.33 H new ATOM 0 HB2 GLN A 89 5.393 5.001 6.609 1.00 22.33 H new ATOM 0 HB3 GLN A 89 6.259 6.224 5.701 1.00 22.33 H new ATOM 0 HG2 GLN A 89 7.890 6.495 7.537 1.00 71.23 H new ATOM 0 HG3 GLN A 89 6.989 5.379 8.543 1.00 71.23 H new ATOM 0 HE21 GLN A 89 9.788 5.187 7.783 1.00 65.32 H new ATOM 0 HE22 GLN A 89 9.959 3.651 6.926 1.00 65.32 H new ATOM 1515 N ALA A 90 2.715 6.530 6.970 1.00 31.44 N ATOM 1516 CA ALA A 90 1.350 6.728 6.414 1.00 24.45 C ATOM 1517 C ALA A 90 0.711 8.039 6.923 1.00 32.03 C ATOM 1518 O ALA A 90 -0.182 8.607 6.280 1.00 13.21 O ATOM 1519 CB ALA A 90 0.455 5.514 6.741 1.00 4.43 C ATOM 0 H ALA A 90 2.764 5.798 7.679 1.00 31.44 H new ATOM 0 HA ALA A 90 1.440 6.812 5.331 1.00 24.45 H new ATOM 0 HB1 ALA A 90 -0.541 5.674 6.327 1.00 4.43 H new ATOM 0 HB2 ALA A 90 0.889 4.614 6.305 1.00 4.43 H new ATOM 0 HB3 ALA A 90 0.384 5.395 7.822 1.00 4.43 H new ATOM 1525 N LYS A 91 1.167 8.487 8.101 1.00 33.13 N ATOM 1526 CA LYS A 91 0.793 9.789 8.677 1.00 13.24 C ATOM 1527 C LYS A 91 1.604 10.910 8.003 1.00 4.51 C ATOM 1528 O LYS A 91 1.107 12.022 7.803 1.00 70.22 O ATOM 1529 CB LYS A 91 1.050 9.788 10.207 1.00 51.43 C ATOM 1530 CG LYS A 91 0.462 8.562 10.945 1.00 4.45 C ATOM 1531 CD LYS A 91 0.877 8.484 12.438 1.00 42.23 C ATOM 1532 CE LYS A 91 -0.047 9.284 13.359 1.00 61.41 C ATOM 1533 NZ LYS A 91 -1.406 8.680 13.413 1.00 52.01 N ATOM 0 H LYS A 91 1.810 7.954 8.686 1.00 33.13 H new ATOM 0 HA LYS A 91 -0.268 9.965 8.501 1.00 13.24 H new ATOM 0 HB2 LYS A 91 2.125 9.824 10.384 1.00 51.43 H new ATOM 0 HB3 LYS A 91 0.625 10.695 10.637 1.00 51.43 H new ATOM 0 HG2 LYS A 91 -0.626 8.595 10.879 1.00 4.45 H new ATOM 0 HG3 LYS A 91 0.785 7.653 10.438 1.00 4.45 H new ATOM 0 HD2 LYS A 91 0.881 7.441 12.754 1.00 42.23 H new ATOM 0 HD3 LYS A 91 1.897 8.854 12.546 1.00 42.23 H new ATOM 0 HE2 LYS A 91 0.378 9.321 14.362 1.00 61.41 H new ATOM 0 HE3 LYS A 91 -0.117 10.312 13.005 1.00 61.41 H new ATOM 0 HZ1 LYS A 91 -1.905 9.024 14.258 1.00 52.01 H new ATOM 0 HZ2 LYS A 91 -1.940 8.949 12.562 1.00 52.01 H new ATOM 0 HZ3 LYS A 91 -1.324 7.644 13.457 1.00 52.01 H new ATOM 1547 N GLN A 92 2.861 10.583 7.650 1.00 0.33 N ATOM 1548 CA GLN A 92 3.816 11.532 7.061 1.00 11.33 C ATOM 1549 C GLN A 92 3.442 11.871 5.602 1.00 30.32 C ATOM 1550 O GLN A 92 3.575 13.028 5.181 1.00 73.32 O ATOM 1551 CB GLN A 92 5.251 10.939 7.135 1.00 61.33 C ATOM 1552 CG GLN A 92 6.377 11.875 6.650 1.00 13.13 C ATOM 1553 CD GLN A 92 6.427 13.206 7.411 1.00 24.04 C ATOM 1554 OE1 GLN A 92 7.076 13.311 8.450 1.00 72.43 O ATOM 1555 NE2 GLN A 92 5.764 14.230 6.888 1.00 63.10 N ATOM 0 H GLN A 92 3.243 9.644 7.768 1.00 0.33 H new ATOM 0 HA GLN A 92 3.780 12.460 7.632 1.00 11.33 H new ATOM 0 HB2 GLN A 92 5.456 10.655 8.167 1.00 61.33 H new ATOM 0 HB3 GLN A 92 5.280 10.025 6.541 1.00 61.33 H new ATOM 0 HG2 GLN A 92 7.335 11.366 6.758 1.00 13.13 H new ATOM 0 HG3 GLN A 92 6.241 12.076 5.587 1.00 13.13 H new ATOM 0 HE21 GLN A 92 5.235 14.108 6.024 1.00 63.10 H new ATOM 0 HE22 GLN A 92 5.783 15.139 7.350 1.00 63.10 H new ATOM 1564 N ILE A 93 2.996 10.851 4.839 1.00 63.10 N ATOM 1565 CA ILE A 93 2.576 11.034 3.429 1.00 63.14 C ATOM 1566 C ILE A 93 1.334 11.942 3.293 1.00 33.14 C ATOM 1567 O ILE A 93 1.172 12.599 2.267 1.00 63.25 O ATOM 1568 CB ILE A 93 2.325 9.677 2.681 1.00 32.15 C ATOM 1569 CG1 ILE A 93 1.257 8.846 3.437 1.00 30.14 C ATOM 1570 CG2 ILE A 93 3.650 8.897 2.498 1.00 1.21 C ATOM 1571 CD1 ILE A 93 0.965 7.484 2.861 1.00 14.55 C ATOM 0 H ILE A 93 2.917 9.891 5.174 1.00 63.10 H new ATOM 0 HA ILE A 93 3.420 11.530 2.950 1.00 63.14 H new ATOM 0 HB ILE A 93 1.940 9.884 1.683 1.00 32.15 H new ATOM 0 HG12 ILE A 93 1.583 8.722 4.470 1.00 30.14 H new ATOM 0 HG13 ILE A 93 0.329 9.417 3.462 1.00 30.14 H new ATOM 0 HG21 ILE A 93 3.452 7.960 1.977 1.00 1.21 H new ATOM 0 HG22 ILE A 93 4.347 9.497 1.913 1.00 1.21 H new ATOM 0 HG23 ILE A 93 4.085 8.684 3.475 1.00 1.21 H new ATOM 0 HD11 ILE A 93 0.205 6.989 3.465 1.00 14.55 H new ATOM 0 HD12 ILE A 93 0.603 7.591 1.839 1.00 14.55 H new ATOM 0 HD13 ILE A 93 1.876 6.886 2.862 1.00 14.55 H new ATOM 1583 N LEU A 94 0.467 11.966 4.329 1.00 4.42 N ATOM 1584 CA LEU A 94 -0.664 12.925 4.405 1.00 74.34 C ATOM 1585 C LEU A 94 -0.170 14.382 4.210 1.00 54.40 C ATOM 1586 O LEU A 94 -0.876 15.214 3.630 1.00 53.43 O ATOM 1587 CB LEU A 94 -1.405 12.765 5.760 1.00 2.32 C ATOM 1588 CG LEU A 94 -2.210 11.439 5.945 1.00 1.53 C ATOM 1589 CD1 LEU A 94 -2.644 11.243 7.409 1.00 25.24 C ATOM 1590 CD2 LEU A 94 -3.432 11.391 4.997 1.00 71.11 C ATOM 0 H LEU A 94 0.527 11.333 5.126 1.00 4.42 H new ATOM 0 HA LEU A 94 -1.363 12.704 3.598 1.00 74.34 H new ATOM 0 HB2 LEU A 94 -0.672 12.838 6.564 1.00 2.32 H new ATOM 0 HB3 LEU A 94 -2.091 13.604 5.878 1.00 2.32 H new ATOM 0 HG LEU A 94 -1.546 10.615 5.683 1.00 1.53 H new ATOM 0 HD11 LEU A 94 -3.202 10.311 7.502 1.00 25.24 H new ATOM 0 HD12 LEU A 94 -1.762 11.203 8.048 1.00 25.24 H new ATOM 0 HD13 LEU A 94 -3.276 12.076 7.716 1.00 25.24 H new ATOM 0 HD21 LEU A 94 -3.973 10.457 5.148 1.00 71.11 H new ATOM 0 HD22 LEU A 94 -4.092 12.232 5.211 1.00 71.11 H new ATOM 0 HD23 LEU A 94 -3.093 11.451 3.963 1.00 71.11 H new ATOM 1602 N GLU A 95 1.067 14.656 4.685 1.00 14.53 N ATOM 1603 CA GLU A 95 1.759 15.932 4.446 1.00 54.23 C ATOM 1604 C GLU A 95 2.438 15.941 3.055 1.00 61.31 C ATOM 1605 O GLU A 95 2.257 16.880 2.309 1.00 65.34 O ATOM 1606 CB GLU A 95 2.827 16.193 5.528 1.00 64.42 C ATOM 1607 CG GLU A 95 2.299 16.292 6.965 1.00 55.32 C ATOM 1608 CD GLU A 95 3.404 16.689 7.954 1.00 23.22 C ATOM 1609 OE1 GLU A 95 3.776 17.883 7.987 1.00 14.11 O ATOM 1610 OE2 GLU A 95 3.938 15.811 8.666 1.00 71.34 O ATOM 0 H GLU A 95 1.608 13.996 5.243 1.00 14.53 H new ATOM 0 HA GLU A 95 1.007 16.720 4.486 1.00 54.23 H new ATOM 0 HB2 GLU A 95 3.566 15.393 5.485 1.00 64.42 H new ATOM 0 HB3 GLU A 95 3.346 17.120 5.285 1.00 64.42 H new ATOM 0 HG2 GLU A 95 1.494 17.026 7.006 1.00 55.32 H new ATOM 0 HG3 GLU A 95 1.873 15.334 7.262 1.00 55.32 H new ATOM 1617 N ASP A 96 3.253 14.886 2.785 1.00 44.43 N ATOM 1618 CA ASP A 96 4.052 14.694 1.522 1.00 54.11 C ATOM 1619 C ASP A 96 3.285 15.061 0.222 1.00 30.51 C ATOM 1620 O ASP A 96 3.835 15.735 -0.659 1.00 21.53 O ATOM 1621 CB ASP A 96 4.536 13.225 1.443 1.00 13.41 C ATOM 1622 CG ASP A 96 5.260 12.839 0.139 1.00 54.41 C ATOM 1623 OD1 ASP A 96 6.423 13.240 -0.046 1.00 22.54 O ATOM 1624 OD2 ASP A 96 4.656 12.142 -0.710 1.00 71.44 O ATOM 0 H ASP A 96 3.383 14.122 3.448 1.00 44.43 H new ATOM 0 HA ASP A 96 4.893 15.385 1.581 1.00 54.11 H new ATOM 0 HB2 ASP A 96 5.206 13.035 2.281 1.00 13.41 H new ATOM 0 HB3 ASP A 96 3.675 12.569 1.569 1.00 13.41 H new ATOM 1629 N LEU A 97 2.022 14.602 0.127 1.00 45.03 N ATOM 1630 CA LEU A 97 1.101 14.883 -1.012 1.00 24.54 C ATOM 1631 C LEU A 97 0.928 16.406 -1.244 1.00 63.51 C ATOM 1632 O LEU A 97 0.855 16.882 -2.381 1.00 4.01 O ATOM 1633 CB LEU A 97 -0.285 14.213 -0.731 1.00 4.11 C ATOM 1634 CG LEU A 97 -0.451 12.702 -1.133 1.00 12.14 C ATOM 1635 CD1 LEU A 97 0.748 11.821 -0.732 1.00 74.24 C ATOM 1636 CD2 LEU A 97 -1.754 12.137 -0.538 1.00 73.51 C ATOM 0 H LEU A 97 1.598 14.016 0.846 1.00 45.03 H new ATOM 0 HA LEU A 97 1.535 14.464 -1.920 1.00 24.54 H new ATOM 0 HB2 LEU A 97 -0.493 14.303 0.335 1.00 4.11 H new ATOM 0 HB3 LEU A 97 -1.049 14.787 -1.255 1.00 4.11 H new ATOM 0 HG LEU A 97 -0.496 12.675 -2.222 1.00 12.14 H new ATOM 0 HD11 LEU A 97 0.563 10.792 -1.041 1.00 74.24 H new ATOM 0 HD12 LEU A 97 1.650 12.190 -1.220 1.00 74.24 H new ATOM 0 HD13 LEU A 97 0.880 11.857 0.349 1.00 74.24 H new ATOM 0 HD21 LEU A 97 -1.860 11.090 -0.822 1.00 73.51 H new ATOM 0 HD22 LEU A 97 -1.722 12.217 0.549 1.00 73.51 H new ATOM 0 HD23 LEU A 97 -2.604 12.704 -0.919 1.00 73.51 H new ATOM 1648 N LYS A 98 0.891 17.129 -0.124 1.00 3.35 N ATOM 1649 CA LYS A 98 0.664 18.590 -0.079 1.00 63.01 C ATOM 1650 C LYS A 98 1.996 19.351 -0.236 1.00 62.10 C ATOM 1651 O LYS A 98 2.046 20.397 -0.896 1.00 42.45 O ATOM 1652 CB LYS A 98 -0.073 18.987 1.245 1.00 1.14 C ATOM 1653 CG LYS A 98 -1.324 18.119 1.534 1.00 0.22 C ATOM 1654 CD LYS A 98 -2.350 18.107 0.363 1.00 5.01 C ATOM 1655 CE LYS A 98 -3.414 16.998 0.504 1.00 14.13 C ATOM 1656 NZ LYS A 98 -4.377 17.246 1.610 1.00 34.22 N ATOM 0 H LYS A 98 1.019 16.716 0.800 1.00 3.35 H new ATOM 0 HA LYS A 98 0.023 18.872 -0.914 1.00 63.01 H new ATOM 0 HB2 LYS A 98 0.622 18.899 2.080 1.00 1.14 H new ATOM 0 HB3 LYS A 98 -0.371 20.034 1.187 1.00 1.14 H new ATOM 0 HG2 LYS A 98 -1.008 17.097 1.741 1.00 0.22 H new ATOM 0 HG3 LYS A 98 -1.815 18.490 2.434 1.00 0.22 H new ATOM 0 HD2 LYS A 98 -2.847 19.076 0.313 1.00 5.01 H new ATOM 0 HD3 LYS A 98 -1.817 17.974 -0.578 1.00 5.01 H new ATOM 0 HE2 LYS A 98 -3.963 16.909 -0.434 1.00 14.13 H new ATOM 0 HE3 LYS A 98 -2.915 16.044 0.673 1.00 14.13 H new ATOM 0 HZ1 LYS A 98 -5.065 16.467 1.653 1.00 34.22 H new ATOM 0 HZ2 LYS A 98 -3.862 17.303 2.512 1.00 34.22 H new ATOM 0 HZ3 LYS A 98 -4.878 18.141 1.440 1.00 34.22 H new