USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 81:sc= 0.0943 USER MOD Single : A 4 TYR OH : rot -121:sc= 0.6 USER MOD Single : A 9 SER OG : rot -170:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= -0.165 (180deg=-1.81!) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0.373 (180deg=0.357) USER MOD Single : A 21 MET CE :methyl -163:sc= -0.152 (180deg=-0.617) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.109 F(o=-1.1!,f=-0.11) USER MOD Single : A 31 THR OG1 : rot 38:sc= 0.258 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0.209 (180deg=0.195) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0.535 (180deg=0.481) USER MOD Single : A 40 LYS NZ :NH3+ -122:sc= 0.713 (180deg=0.0967) USER MOD Single : A 41 TYR OH : rot -157:sc= 0.623 USER MOD Single : A 47 LYS NZ :NH3+ -125:sc= 0.602 (180deg=-0.382) USER MOD Single : A 49 SER OG : rot -42:sc= 0.438 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= 0.987 (180deg=-0.144) USER MOD Single : A 59 SER OG : rot -36:sc= 0.0866 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 66 LYS NZ :NH3+ -105:sc= 0.51 (180deg=-0.775) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0351 X(o=-0.035,f=-0.092) USER MOD Single : A 73 LYS NZ :NH3+ 139:sc= -0.533 (180deg=-2.53!) USER MOD Single : A 74 MET CE :methyl -124:sc= -0.0118 (180deg=-1.41!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.447 (180deg=0.443) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= -0.0234 (180deg=-0.195) USER MOD Single : A 97 SER OG : rot -140:sc= -0.0563 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.614 -1.165 9.471 1.00 14.11 N ATOM 21 CA LEU A 2 -9.896 -2.118 8.616 1.00 73.54 C ATOM 22 C LEU A 2 -8.638 -1.432 8.047 1.00 61.25 C ATOM 23 O LEU A 2 -8.748 -0.462 7.300 1.00 33.21 O ATOM 24 CB LEU A 2 -10.820 -2.603 7.465 1.00 64.04 C ATOM 25 CG LEU A 2 -12.163 -3.285 7.863 1.00 23.40 C ATOM 26 CD1 LEU A 2 -12.975 -3.657 6.604 1.00 71.52 C ATOM 27 CD2 LEU A 2 -11.935 -4.516 8.772 1.00 22.04 C ATOM 0 HA LEU A 2 -9.598 -2.987 9.202 1.00 73.54 H new ATOM 0 HB2 LEU A 2 -11.052 -1.744 6.835 1.00 64.04 H new ATOM 0 HB3 LEU A 2 -10.254 -3.305 6.852 1.00 64.04 H new ATOM 0 HG LEU A 2 -12.743 -2.567 8.443 1.00 23.40 H new ATOM 0 HD11 LEU A 2 -13.910 -4.132 6.901 1.00 71.52 H new ATOM 0 HD12 LEU A 2 -13.192 -2.755 6.032 1.00 71.52 H new ATOM 0 HD13 LEU A 2 -12.397 -4.347 5.989 1.00 71.52 H new ATOM 0 HD21 LEU A 2 -12.896 -4.963 9.027 1.00 22.04 H new ATOM 0 HD22 LEU A 2 -11.322 -5.248 8.246 1.00 22.04 H new ATOM 0 HD23 LEU A 2 -11.426 -4.205 9.684 1.00 22.04 H new ATOM 39 N LEU A 3 -7.444 -1.913 8.431 1.00 41.35 N ATOM 40 CA LEU A 3 -6.164 -1.309 8.012 1.00 72.13 C ATOM 41 C LEU A 3 -5.414 -2.276 7.067 1.00 24.32 C ATOM 42 O LEU A 3 -5.018 -3.376 7.480 1.00 23.14 O ATOM 43 CB LEU A 3 -5.309 -0.966 9.267 1.00 14.02 C ATOM 44 CG LEU A 3 -5.915 0.074 10.262 1.00 50.12 C ATOM 45 CD1 LEU A 3 -5.014 0.244 11.505 1.00 75.24 C ATOM 46 CD2 LEU A 3 -6.177 1.434 9.572 1.00 62.33 C ATOM 0 H LEU A 3 -7.337 -2.726 9.037 1.00 41.35 H new ATOM 0 HA LEU A 3 -6.354 -0.384 7.468 1.00 72.13 H new ATOM 0 HB2 LEU A 3 -5.120 -1.890 9.813 1.00 14.02 H new ATOM 0 HB3 LEU A 3 -4.343 -0.592 8.929 1.00 14.02 H new ATOM 0 HG LEU A 3 -6.877 -0.314 10.596 1.00 50.12 H new ATOM 0 HD11 LEU A 3 -5.460 0.974 12.181 1.00 75.24 H new ATOM 0 HD12 LEU A 3 -4.917 -0.713 12.018 1.00 75.24 H new ATOM 0 HD13 LEU A 3 -4.028 0.591 11.195 1.00 75.24 H new ATOM 0 HD21 LEU A 3 -6.599 2.133 10.294 1.00 62.33 H new ATOM 0 HD22 LEU A 3 -5.239 1.833 9.186 1.00 62.33 H new ATOM 0 HD23 LEU A 3 -6.878 1.295 8.749 1.00 62.33 H new ATOM 58 N TYR A 4 -5.249 -1.867 5.794 1.00 64.23 N ATOM 59 CA TYR A 4 -4.588 -2.682 4.751 1.00 1.41 C ATOM 60 C TYR A 4 -3.390 -1.939 4.168 1.00 11.20 C ATOM 61 O TYR A 4 -3.396 -0.715 4.073 1.00 52.03 O ATOM 62 CB TYR A 4 -5.591 -3.030 3.622 1.00 12.35 C ATOM 63 CG TYR A 4 -6.742 -3.921 4.096 1.00 40.03 C ATOM 64 CD1 TYR A 4 -6.561 -5.292 4.257 1.00 73.14 C ATOM 65 CD2 TYR A 4 -7.988 -3.394 4.429 1.00 25.35 C ATOM 66 CE1 TYR A 4 -7.577 -6.099 4.723 1.00 63.51 C ATOM 67 CE2 TYR A 4 -9.009 -4.205 4.886 1.00 10.43 C ATOM 68 CZ TYR A 4 -8.795 -5.554 5.041 1.00 51.22 C ATOM 69 OH TYR A 4 -9.799 -6.362 5.527 1.00 13.42 O ATOM 0 H TYR A 4 -5.571 -0.960 5.457 1.00 64.23 H new ATOM 0 HA TYR A 4 -4.238 -3.606 5.212 1.00 1.41 H new ATOM 0 HB2 TYR A 4 -6.000 -2.107 3.210 1.00 12.35 H new ATOM 0 HB3 TYR A 4 -5.059 -3.532 2.814 1.00 12.35 H new ATOM 0 HD1 TYR A 4 -5.606 -5.732 4.012 1.00 73.14 H new ATOM 0 HD2 TYR A 4 -8.159 -2.332 4.328 1.00 25.35 H new ATOM 0 HE1 TYR A 4 -7.414 -7.160 4.838 1.00 63.51 H new ATOM 0 HE2 TYR A 4 -9.974 -3.780 5.121 1.00 10.43 H new ATOM 0 HH TYR A 4 -10.576 -6.313 4.931 1.00 13.42 H new ATOM 79 N VAL A 5 -2.360 -2.701 3.795 1.00 24.32 N ATOM 80 CA VAL A 5 -1.154 -2.187 3.141 1.00 25.32 C ATOM 81 C VAL A 5 -1.040 -2.802 1.734 1.00 70.44 C ATOM 82 O VAL A 5 -1.109 -4.019 1.579 1.00 53.42 O ATOM 83 CB VAL A 5 0.141 -2.510 3.998 1.00 44.13 C ATOM 84 CG1 VAL A 5 1.428 -2.038 3.287 1.00 23.45 C ATOM 85 CG2 VAL A 5 0.037 -1.891 5.417 1.00 52.22 C ATOM 0 H VAL A 5 -2.340 -3.710 3.941 1.00 24.32 H new ATOM 0 HA VAL A 5 -1.230 -1.103 3.058 1.00 25.32 H new ATOM 0 HB VAL A 5 0.201 -3.593 4.101 1.00 44.13 H new ATOM 0 HG11 VAL A 5 2.294 -2.277 3.905 1.00 23.45 H new ATOM 0 HG12 VAL A 5 1.518 -2.543 2.325 1.00 23.45 H new ATOM 0 HG13 VAL A 5 1.382 -0.961 3.128 1.00 23.45 H new ATOM 0 HG21 VAL A 5 0.938 -2.127 5.984 1.00 52.22 H new ATOM 0 HG22 VAL A 5 -0.067 -0.809 5.335 1.00 52.22 H new ATOM 0 HG23 VAL A 5 -0.833 -2.301 5.930 1.00 52.22 H new ATOM 95 N LEU A 6 -0.932 -1.946 0.714 1.00 34.33 N ATOM 96 CA LEU A 6 -0.575 -2.342 -0.657 1.00 71.33 C ATOM 97 C LEU A 6 0.856 -1.858 -0.918 1.00 33.02 C ATOM 98 O LEU A 6 1.255 -0.820 -0.384 1.00 53.41 O ATOM 99 CB LEU A 6 -1.560 -1.709 -1.687 1.00 11.44 C ATOM 100 CG LEU A 6 -3.076 -2.033 -1.490 1.00 73.24 C ATOM 101 CD1 LEU A 6 -3.950 -1.455 -2.628 1.00 45.43 C ATOM 102 CD2 LEU A 6 -3.310 -3.536 -1.323 1.00 22.41 C ATOM 0 H LEU A 6 -1.092 -0.944 0.816 1.00 34.33 H new ATOM 0 HA LEU A 6 -0.640 -3.424 -0.768 1.00 71.33 H new ATOM 0 HB2 LEU A 6 -1.436 -0.627 -1.658 1.00 11.44 H new ATOM 0 HB3 LEU A 6 -1.268 -2.036 -2.685 1.00 11.44 H new ATOM 0 HG LEU A 6 -3.385 -1.541 -0.568 1.00 73.24 H new ATOM 0 HD11 LEU A 6 -4.995 -1.706 -2.447 1.00 45.43 H new ATOM 0 HD12 LEU A 6 -3.837 -0.371 -2.659 1.00 45.43 H new ATOM 0 HD13 LEU A 6 -3.634 -1.880 -3.581 1.00 45.43 H new ATOM 0 HD21 LEU A 6 -4.375 -3.726 -1.188 1.00 22.41 H new ATOM 0 HD22 LEU A 6 -2.958 -4.060 -2.211 1.00 22.41 H new ATOM 0 HD23 LEU A 6 -2.764 -3.894 -0.450 1.00 22.41 H new ATOM 114 N ILE A 7 1.633 -2.597 -1.718 1.00 22.21 N ATOM 115 CA ILE A 7 2.998 -2.178 -2.073 1.00 71.30 C ATOM 116 C ILE A 7 3.281 -2.457 -3.555 1.00 11.25 C ATOM 117 O ILE A 7 3.091 -3.575 -4.040 1.00 5.13 O ATOM 118 CB ILE A 7 4.090 -2.860 -1.158 1.00 32.23 C ATOM 119 CG1 ILE A 7 5.503 -2.275 -1.480 1.00 60.51 C ATOM 120 CG2 ILE A 7 4.076 -4.406 -1.270 1.00 32.12 C ATOM 121 CD1 ILE A 7 6.606 -2.743 -0.557 1.00 44.13 C ATOM 0 H ILE A 7 1.344 -3.484 -2.131 1.00 22.21 H new ATOM 0 HA ILE A 7 3.060 -1.104 -1.899 1.00 71.30 H new ATOM 0 HB ILE A 7 3.844 -2.629 -0.122 1.00 32.23 H new ATOM 0 HG12 ILE A 7 5.767 -2.541 -2.504 1.00 60.51 H new ATOM 0 HG13 ILE A 7 5.449 -1.187 -1.437 1.00 60.51 H new ATOM 0 HG21 ILE A 7 4.845 -4.825 -0.621 1.00 32.12 H new ATOM 0 HG22 ILE A 7 3.100 -4.784 -0.966 1.00 32.12 H new ATOM 0 HG23 ILE A 7 4.273 -4.698 -2.302 1.00 32.12 H new ATOM 0 HD11 ILE A 7 7.549 -2.286 -0.856 1.00 44.13 H new ATOM 0 HD12 ILE A 7 6.371 -2.453 0.467 1.00 44.13 H new ATOM 0 HD13 ILE A 7 6.694 -3.828 -0.616 1.00 44.13 H new ATOM 133 N ILE A 8 3.697 -1.410 -4.274 1.00 63.02 N ATOM 134 CA ILE A 8 4.110 -1.501 -5.667 1.00 32.44 C ATOM 135 C ILE A 8 5.626 -1.244 -5.734 1.00 62.13 C ATOM 136 O ILE A 8 6.061 -0.106 -5.564 1.00 74.24 O ATOM 137 CB ILE A 8 3.357 -0.441 -6.560 1.00 75.24 C ATOM 138 CG1 ILE A 8 1.846 -0.332 -6.178 1.00 12.51 C ATOM 139 CG2 ILE A 8 3.526 -0.799 -8.047 1.00 4.25 C ATOM 140 CD1 ILE A 8 1.061 0.718 -6.942 1.00 11.04 C ATOM 0 H ILE A 8 3.755 -0.465 -3.894 1.00 63.02 H new ATOM 0 HA ILE A 8 3.864 -2.492 -6.049 1.00 32.44 H new ATOM 0 HB ILE A 8 3.802 0.537 -6.378 1.00 75.24 H new ATOM 0 HG12 ILE A 8 1.376 -1.302 -6.339 1.00 12.51 H new ATOM 0 HG13 ILE A 8 1.772 -0.114 -5.113 1.00 12.51 H new ATOM 0 HG21 ILE A 8 3.004 -0.064 -8.660 1.00 4.25 H new ATOM 0 HG22 ILE A 8 4.585 -0.799 -8.303 1.00 4.25 H new ATOM 0 HG23 ILE A 8 3.108 -1.788 -8.233 1.00 4.25 H new ATOM 0 HD11 ILE A 8 0.025 0.715 -6.604 1.00 11.04 H new ATOM 0 HD12 ILE A 8 1.498 1.701 -6.763 1.00 11.04 H new ATOM 0 HD13 ILE A 8 1.096 0.494 -8.008 1.00 11.04 H new ATOM 152 N SER A 9 6.418 -2.299 -5.937 1.00 64.12 N ATOM 153 CA SER A 9 7.881 -2.192 -6.089 1.00 61.40 C ATOM 154 C SER A 9 8.396 -3.340 -6.961 1.00 70.13 C ATOM 155 O SER A 9 7.792 -4.419 -7.001 1.00 34.33 O ATOM 156 CB SER A 9 8.576 -2.208 -4.699 1.00 75.23 C ATOM 157 OG SER A 9 9.990 -2.098 -4.810 1.00 60.22 O ATOM 0 H SER A 9 6.068 -3.255 -6.002 1.00 64.12 H new ATOM 0 HA SER A 9 8.118 -1.246 -6.575 1.00 61.40 H new ATOM 0 HB2 SER A 9 8.195 -1.386 -4.093 1.00 75.23 H new ATOM 0 HB3 SER A 9 8.324 -3.132 -4.178 1.00 75.23 H new ATOM 0 HG SER A 9 10.401 -2.269 -3.937 1.00 60.22 H new ATOM 163 N ASN A 10 9.499 -3.089 -7.682 1.00 33.21 N ATOM 164 CA ASN A 10 10.193 -4.122 -8.478 1.00 62.12 C ATOM 165 C ASN A 10 11.232 -4.845 -7.600 1.00 44.14 C ATOM 166 O ASN A 10 11.530 -6.027 -7.829 1.00 43.53 O ATOM 167 CB ASN A 10 10.878 -3.508 -9.735 1.00 64.32 C ATOM 168 CG ASN A 10 9.920 -3.038 -10.847 1.00 32.32 C ATOM 169 OD1 ASN A 10 8.762 -2.494 -10.496 1.00 31.20 O flip ATOM 170 ND2 ASN A 10 10.247 -3.131 -12.035 1.00 63.32 N flip ATOM 0 H ASN A 10 9.937 -2.169 -7.732 1.00 33.21 H new ATOM 0 HA ASN A 10 9.451 -4.841 -8.826 1.00 62.12 H new ATOM 0 HB2 ASN A 10 11.485 -2.659 -9.419 1.00 64.32 H new ATOM 0 HB3 ASN A 10 11.559 -4.248 -10.155 1.00 64.32 H new ATOM 0 HD21 ASN A 10 11.141 -3.552 -12.286 1.00 63.32 H new ATOM 0 HD22 ASN A 10 9.623 -2.787 -12.764 1.00 63.32 H new ATOM 177 N ASP A 11 11.770 -4.118 -6.591 1.00 2.50 N ATOM 178 CA ASP A 11 12.767 -4.653 -5.649 1.00 21.42 C ATOM 179 C ASP A 11 12.039 -5.517 -4.608 1.00 64.14 C ATOM 180 O ASP A 11 11.394 -5.009 -3.677 1.00 0.14 O ATOM 181 CB ASP A 11 13.581 -3.515 -4.967 1.00 45.04 C ATOM 182 CG ASP A 11 14.812 -4.038 -4.193 1.00 1.33 C ATOM 183 OD1 ASP A 11 15.871 -4.264 -4.818 1.00 24.24 O ATOM 184 OD2 ASP A 11 14.737 -4.231 -2.965 1.00 72.24 O ATOM 0 H ASP A 11 11.521 -3.145 -6.412 1.00 2.50 H new ATOM 0 HA ASP A 11 13.487 -5.263 -6.195 1.00 21.42 H new ATOM 0 HB2 ASP A 11 13.910 -2.805 -5.726 1.00 45.04 H new ATOM 0 HB3 ASP A 11 12.931 -2.971 -4.282 1.00 45.04 H new ATOM 189 N LYS A 12 12.106 -6.829 -4.834 1.00 12.14 N ATOM 190 CA LYS A 12 11.400 -7.834 -4.026 1.00 4.41 C ATOM 191 C LYS A 12 11.922 -7.910 -2.582 1.00 12.44 C ATOM 192 O LYS A 12 11.165 -8.257 -1.684 1.00 74.10 O ATOM 193 CB LYS A 12 11.456 -9.218 -4.729 1.00 41.42 C ATOM 194 CG LYS A 12 10.803 -9.216 -6.132 1.00 72.25 C ATOM 195 CD LYS A 12 9.327 -8.750 -6.092 1.00 10.01 C ATOM 196 CE LYS A 12 8.703 -8.606 -7.488 1.00 10.11 C ATOM 197 NZ LYS A 12 8.649 -9.898 -8.218 1.00 22.31 N ATOM 0 H LYS A 12 12.657 -7.233 -5.591 1.00 12.14 H new ATOM 0 HA LYS A 12 10.359 -7.521 -3.949 1.00 4.41 H new ATOM 0 HB2 LYS A 12 12.496 -9.530 -4.820 1.00 41.42 H new ATOM 0 HB3 LYS A 12 10.955 -9.957 -4.103 1.00 41.42 H new ATOM 0 HG2 LYS A 12 11.371 -8.562 -6.794 1.00 72.25 H new ATOM 0 HG3 LYS A 12 10.854 -10.219 -6.555 1.00 72.25 H new ATOM 0 HD2 LYS A 12 8.743 -9.463 -5.511 1.00 10.01 H new ATOM 0 HD3 LYS A 12 9.268 -7.793 -5.574 1.00 10.01 H new ATOM 0 HE2 LYS A 12 7.695 -8.203 -7.393 1.00 10.11 H new ATOM 0 HE3 LYS A 12 9.280 -7.887 -8.069 1.00 10.11 H new ATOM 0 HZ1 LYS A 12 8.220 -9.750 -9.154 1.00 22.31 H new ATOM 0 HZ2 LYS A 12 9.613 -10.272 -8.334 1.00 22.31 H new ATOM 0 HZ3 LYS A 12 8.076 -10.578 -7.678 1.00 22.31 H new ATOM 211 N LYS A 13 13.198 -7.544 -2.369 1.00 63.22 N ATOM 212 CA LYS A 13 13.821 -7.514 -1.029 1.00 24.30 C ATOM 213 C LYS A 13 13.245 -6.351 -0.181 1.00 73.42 C ATOM 214 O LYS A 13 13.075 -6.479 1.040 1.00 23.44 O ATOM 215 CB LYS A 13 15.361 -7.400 -1.189 1.00 22.35 C ATOM 216 CG LYS A 13 16.017 -8.641 -1.846 1.00 0.14 C ATOM 217 CD LYS A 13 17.496 -8.431 -2.282 1.00 31.30 C ATOM 218 CE LYS A 13 18.493 -8.254 -1.122 1.00 24.21 C ATOM 219 NZ LYS A 13 18.404 -6.915 -0.473 1.00 52.11 N ATOM 0 H LYS A 13 13.828 -7.260 -3.119 1.00 63.22 H new ATOM 0 HA LYS A 13 13.592 -8.438 -0.497 1.00 24.30 H new ATOM 0 HB2 LYS A 13 15.590 -6.519 -1.789 1.00 22.35 H new ATOM 0 HB3 LYS A 13 15.808 -7.242 -0.207 1.00 22.35 H new ATOM 0 HG2 LYS A 13 15.972 -9.474 -1.145 1.00 0.14 H new ATOM 0 HG3 LYS A 13 15.431 -8.927 -2.719 1.00 0.14 H new ATOM 0 HD2 LYS A 13 17.808 -9.285 -2.883 1.00 31.30 H new ATOM 0 HD3 LYS A 13 17.549 -7.553 -2.925 1.00 31.30 H new ATOM 0 HE2 LYS A 13 18.312 -9.026 -0.374 1.00 24.21 H new ATOM 0 HE3 LYS A 13 19.506 -8.403 -1.496 1.00 24.21 H new ATOM 0 HZ1 LYS A 13 19.361 -6.566 -0.265 1.00 52.11 H new ATOM 0 HZ2 LYS A 13 17.924 -6.250 -1.113 1.00 52.11 H new ATOM 0 HZ3 LYS A 13 17.864 -6.994 0.412 1.00 52.11 H new ATOM 233 N LEU A 14 12.944 -5.226 -0.866 1.00 72.52 N ATOM 234 CA LEU A 14 12.221 -4.064 -0.291 1.00 11.30 C ATOM 235 C LEU A 14 10.812 -4.501 0.150 1.00 24.21 C ATOM 236 O LEU A 14 10.367 -4.177 1.260 1.00 21.13 O ATOM 237 CB LEU A 14 12.159 -2.917 -1.358 1.00 35.21 C ATOM 238 CG LEU A 14 11.563 -1.510 -0.946 1.00 71.35 C ATOM 239 CD1 LEU A 14 12.129 -0.391 -1.848 1.00 70.43 C ATOM 240 CD2 LEU A 14 10.012 -1.462 -0.982 1.00 35.31 C ATOM 0 H LEU A 14 13.198 -5.095 -1.845 1.00 72.52 H new ATOM 0 HA LEU A 14 12.746 -3.688 0.587 1.00 11.30 H new ATOM 0 HB2 LEU A 14 13.174 -2.750 -1.720 1.00 35.21 H new ATOM 0 HB3 LEU A 14 11.576 -3.286 -2.202 1.00 35.21 H new ATOM 0 HG LEU A 14 11.868 -1.351 0.088 1.00 71.35 H new ATOM 0 HD11 LEU A 14 11.706 0.568 -1.547 1.00 70.43 H new ATOM 0 HD12 LEU A 14 13.214 -0.356 -1.748 1.00 70.43 H new ATOM 0 HD13 LEU A 14 11.867 -0.593 -2.887 1.00 70.43 H new ATOM 0 HD21 LEU A 14 9.672 -0.469 -0.689 1.00 35.31 H new ATOM 0 HD22 LEU A 14 9.665 -1.681 -1.992 1.00 35.31 H new ATOM 0 HD23 LEU A 14 9.609 -2.202 -0.291 1.00 35.31 H new ATOM 252 N ILE A 15 10.135 -5.252 -0.747 1.00 35.20 N ATOM 253 CA ILE A 15 8.782 -5.796 -0.505 1.00 42.12 C ATOM 254 C ILE A 15 8.783 -6.774 0.689 1.00 75.43 C ATOM 255 O ILE A 15 7.832 -6.802 1.469 1.00 31.42 O ATOM 256 CB ILE A 15 8.215 -6.507 -1.799 1.00 53.51 C ATOM 257 CG1 ILE A 15 8.088 -5.484 -2.972 1.00 40.51 C ATOM 258 CG2 ILE A 15 6.863 -7.208 -1.528 1.00 13.42 C ATOM 259 CD1 ILE A 15 7.455 -6.031 -4.242 1.00 75.43 C ATOM 0 H ILE A 15 10.514 -5.498 -1.662 1.00 35.20 H new ATOM 0 HA ILE A 15 8.129 -4.958 -0.261 1.00 42.12 H new ATOM 0 HB ILE A 15 8.925 -7.282 -2.087 1.00 53.51 H new ATOM 0 HG12 ILE A 15 7.499 -4.633 -2.629 1.00 40.51 H new ATOM 0 HG13 ILE A 15 9.082 -5.107 -3.214 1.00 40.51 H new ATOM 0 HG21 ILE A 15 6.510 -7.683 -2.443 1.00 13.42 H new ATOM 0 HG22 ILE A 15 6.994 -7.964 -0.754 1.00 13.42 H new ATOM 0 HG23 ILE A 15 6.131 -6.471 -1.196 1.00 13.42 H new ATOM 0 HD11 ILE A 15 7.412 -5.244 -4.995 1.00 75.43 H new ATOM 0 HD12 ILE A 15 8.053 -6.861 -4.618 1.00 75.43 H new ATOM 0 HD13 ILE A 15 6.446 -6.380 -4.024 1.00 75.43 H new ATOM 271 N GLU A 16 9.867 -7.563 0.810 1.00 62.13 N ATOM 272 CA GLU A 16 10.038 -8.528 1.918 1.00 30.54 C ATOM 273 C GLU A 16 10.190 -7.813 3.280 1.00 4.45 C ATOM 274 O GLU A 16 9.602 -8.251 4.263 1.00 42.12 O ATOM 275 CB GLU A 16 11.232 -9.482 1.668 1.00 22.20 C ATOM 276 CG GLU A 16 11.031 -10.458 0.500 1.00 20.20 C ATOM 277 CD GLU A 16 12.246 -11.368 0.282 1.00 25.42 C ATOM 278 OE1 GLU A 16 13.203 -10.955 -0.410 1.00 10.33 O ATOM 279 OE2 GLU A 16 12.263 -12.497 0.822 1.00 60.41 O ATOM 0 H GLU A 16 10.644 -7.552 0.150 1.00 62.13 H new ATOM 0 HA GLU A 16 9.130 -9.129 1.953 1.00 30.54 H new ATOM 0 HB2 GLU A 16 12.124 -8.885 1.477 1.00 22.20 H new ATOM 0 HB3 GLU A 16 11.420 -10.055 2.576 1.00 22.20 H new ATOM 0 HG2 GLU A 16 10.151 -11.072 0.690 1.00 20.20 H new ATOM 0 HG3 GLU A 16 10.835 -9.894 -0.412 1.00 20.20 H new ATOM 286 N GLU A 17 10.968 -6.706 3.319 1.00 24.23 N ATOM 287 CA GLU A 17 11.153 -5.899 4.557 1.00 41.21 C ATOM 288 C GLU A 17 9.830 -5.256 5.000 1.00 31.01 C ATOM 289 O GLU A 17 9.511 -5.219 6.198 1.00 2.30 O ATOM 290 CB GLU A 17 12.247 -4.813 4.368 1.00 65.51 C ATOM 291 CG GLU A 17 13.667 -5.378 4.255 1.00 33.25 C ATOM 292 CD GLU A 17 14.755 -4.295 4.267 1.00 34.23 C ATOM 293 OE1 GLU A 17 14.924 -3.623 5.312 1.00 32.45 O ATOM 294 OE2 GLU A 17 15.460 -4.125 3.250 1.00 24.13 O ATOM 0 H GLU A 17 11.478 -6.349 2.511 1.00 24.23 H new ATOM 0 HA GLU A 17 11.485 -6.579 5.342 1.00 41.21 H new ATOM 0 HB2 GLU A 17 12.023 -4.237 3.470 1.00 65.51 H new ATOM 0 HB3 GLU A 17 12.207 -4.121 5.209 1.00 65.51 H new ATOM 0 HG2 GLU A 17 13.842 -6.068 5.080 1.00 33.25 H new ATOM 0 HG3 GLU A 17 13.749 -5.955 3.334 1.00 33.25 H new ATOM 301 N ALA A 18 9.070 -4.774 4.008 1.00 21.21 N ATOM 302 CA ALA A 18 7.733 -4.206 4.215 1.00 32.22 C ATOM 303 C ALA A 18 6.741 -5.286 4.698 1.00 41.24 C ATOM 304 O ALA A 18 5.905 -5.029 5.570 1.00 42.41 O ATOM 305 CB ALA A 18 7.246 -3.560 2.913 1.00 12.41 C ATOM 0 H ALA A 18 9.368 -4.768 3.033 1.00 21.21 H new ATOM 0 HA ALA A 18 7.789 -3.443 4.992 1.00 32.22 H new ATOM 0 HB1 ALA A 18 6.253 -3.138 3.066 1.00 12.41 H new ATOM 0 HB2 ALA A 18 7.936 -2.769 2.619 1.00 12.41 H new ATOM 0 HB3 ALA A 18 7.203 -4.314 2.127 1.00 12.41 H new ATOM 311 N ARG A 19 6.861 -6.495 4.109 1.00 32.24 N ATOM 312 CA ARG A 19 6.039 -7.673 4.453 1.00 11.15 C ATOM 313 C ARG A 19 6.214 -8.049 5.929 1.00 34.02 C ATOM 314 O ARG A 19 5.226 -8.225 6.645 1.00 42.51 O ATOM 315 CB ARG A 19 6.429 -8.872 3.541 1.00 55.34 C ATOM 316 CG ARG A 19 5.690 -10.193 3.841 1.00 32.34 C ATOM 317 CD ARG A 19 6.236 -11.388 3.040 1.00 53.54 C ATOM 318 NE ARG A 19 5.499 -12.632 3.329 1.00 73.34 N ATOM 319 CZ ARG A 19 6.046 -13.857 3.423 1.00 55.54 C ATOM 320 NH1 ARG A 19 7.358 -14.037 3.253 1.00 33.43 N ATOM 321 NH2 ARG A 19 5.266 -14.905 3.681 1.00 62.11 N ATOM 0 H ARG A 19 7.541 -6.682 3.372 1.00 32.24 H new ATOM 0 HA ARG A 19 4.990 -7.425 4.289 1.00 11.15 H new ATOM 0 HB2 ARG A 19 6.239 -8.596 2.504 1.00 55.34 H new ATOM 0 HB3 ARG A 19 7.501 -9.045 3.634 1.00 55.34 H new ATOM 0 HG2 ARG A 19 5.768 -10.412 4.906 1.00 32.34 H new ATOM 0 HG3 ARG A 19 4.630 -10.068 3.618 1.00 32.34 H new ATOM 0 HD2 ARG A 19 6.173 -11.169 1.974 1.00 53.54 H new ATOM 0 HD3 ARG A 19 7.291 -11.529 3.274 1.00 53.54 H new ATOM 0 HE ARG A 19 4.491 -12.557 3.469 1.00 73.34 H new ATOM 0 HH11 ARG A 19 7.960 -13.239 3.049 1.00 33.43 H new ATOM 0 HH12 ARG A 19 7.758 -14.972 3.327 1.00 33.43 H new ATOM 0 HH21 ARG A 19 4.262 -14.775 3.806 1.00 62.11 H new ATOM 0 HH22 ARG A 19 5.673 -15.838 3.754 1.00 62.11 H new ATOM 335 N LYS A 20 7.486 -8.124 6.369 1.00 1.20 N ATOM 336 CA LYS A 20 7.823 -8.511 7.750 1.00 71.44 C ATOM 337 C LYS A 20 7.279 -7.480 8.752 1.00 45.41 C ATOM 338 O LYS A 20 6.748 -7.852 9.795 1.00 73.12 O ATOM 339 CB LYS A 20 9.356 -8.710 7.944 1.00 25.51 C ATOM 340 CG LYS A 20 10.009 -9.780 7.030 1.00 34.44 C ATOM 341 CD LYS A 20 9.269 -11.141 6.991 1.00 34.12 C ATOM 342 CE LYS A 20 9.169 -11.829 8.361 1.00 43.32 C ATOM 343 NZ LYS A 20 8.342 -13.066 8.291 1.00 53.12 N ATOM 0 H LYS A 20 8.297 -7.921 5.785 1.00 1.20 H new ATOM 0 HA LYS A 20 7.345 -9.471 7.942 1.00 71.44 H new ATOM 0 HB2 LYS A 20 9.854 -7.756 7.771 1.00 25.51 H new ATOM 0 HB3 LYS A 20 9.541 -8.982 8.983 1.00 25.51 H new ATOM 0 HG2 LYS A 20 10.067 -9.385 6.016 1.00 34.44 H new ATOM 0 HG3 LYS A 20 11.032 -9.948 7.365 1.00 34.44 H new ATOM 0 HD2 LYS A 20 8.264 -10.987 6.597 1.00 34.12 H new ATOM 0 HD3 LYS A 20 9.785 -11.805 6.298 1.00 34.12 H new ATOM 0 HE2 LYS A 20 10.168 -12.078 8.718 1.00 43.32 H new ATOM 0 HE3 LYS A 20 8.734 -11.140 9.085 1.00 43.32 H new ATOM 0 HZ1 LYS A 20 8.210 -13.450 9.248 1.00 53.12 H new ATOM 0 HZ2 LYS A 20 7.415 -12.841 7.878 1.00 53.12 H new ATOM 0 HZ3 LYS A 20 8.823 -13.772 7.698 1.00 53.12 H new ATOM 357 N MET A 21 7.377 -6.187 8.388 1.00 61.15 N ATOM 358 CA MET A 21 6.845 -5.071 9.200 1.00 32.20 C ATOM 359 C MET A 21 5.318 -5.127 9.311 1.00 43.34 C ATOM 360 O MET A 21 4.762 -4.819 10.366 1.00 53.12 O ATOM 361 CB MET A 21 7.290 -3.705 8.614 1.00 3.21 C ATOM 362 CG MET A 21 8.708 -3.287 9.017 1.00 63.10 C ATOM 363 SD MET A 21 8.914 -3.084 10.808 1.00 60.25 S ATOM 364 CE MET A 21 7.612 -1.903 11.201 1.00 61.31 C ATOM 0 H MET A 21 7.827 -5.885 7.524 1.00 61.15 H new ATOM 0 HA MET A 21 7.257 -5.176 10.204 1.00 32.20 H new ATOM 0 HB2 MET A 21 7.231 -3.751 7.527 1.00 3.21 H new ATOM 0 HB3 MET A 21 6.589 -2.936 8.939 1.00 3.21 H new ATOM 0 HG2 MET A 21 9.415 -4.035 8.659 1.00 63.10 H new ATOM 0 HG3 MET A 21 8.958 -2.349 8.521 1.00 63.10 H new ATOM 0 HE1 MET A 21 7.804 -1.461 12.179 1.00 61.31 H new ATOM 0 HE2 MET A 21 7.593 -1.118 10.445 1.00 61.31 H new ATOM 0 HE3 MET A 21 6.650 -2.414 11.217 1.00 61.31 H new ATOM 374 N ALA A 22 4.656 -5.499 8.207 1.00 31.32 N ATOM 375 CA ALA A 22 3.199 -5.654 8.168 1.00 42.32 C ATOM 376 C ALA A 22 2.736 -6.810 9.074 1.00 5.55 C ATOM 377 O ALA A 22 1.743 -6.680 9.777 1.00 74.31 O ATOM 378 CB ALA A 22 2.732 -5.859 6.729 1.00 63.12 C ATOM 0 H ALA A 22 5.116 -5.700 7.319 1.00 31.32 H new ATOM 0 HA ALA A 22 2.745 -4.741 8.552 1.00 42.32 H new ATOM 0 HB1 ALA A 22 1.648 -5.973 6.711 1.00 63.12 H new ATOM 0 HB2 ALA A 22 3.016 -4.995 6.128 1.00 63.12 H new ATOM 0 HB3 ALA A 22 3.198 -6.755 6.319 1.00 63.12 H new ATOM 384 N GLU A 23 3.499 -7.920 9.063 1.00 10.43 N ATOM 385 CA GLU A 23 3.216 -9.114 9.893 1.00 13.33 C ATOM 386 C GLU A 23 3.374 -8.794 11.396 1.00 4.01 C ATOM 387 O GLU A 23 2.536 -9.187 12.217 1.00 4.54 O ATOM 388 CB GLU A 23 4.140 -10.293 9.470 1.00 21.20 C ATOM 389 CG GLU A 23 3.906 -10.794 8.026 1.00 53.11 C ATOM 390 CD GLU A 23 4.822 -11.967 7.632 1.00 43.24 C ATOM 391 OE1 GLU A 23 4.473 -13.133 7.929 1.00 32.35 O ATOM 392 OE2 GLU A 23 5.892 -11.740 7.027 1.00 14.23 O ATOM 0 H GLU A 23 4.330 -8.017 8.479 1.00 10.43 H new ATOM 0 HA GLU A 23 2.181 -9.412 9.729 1.00 13.33 H new ATOM 0 HB2 GLU A 23 5.179 -9.980 9.570 1.00 21.20 H new ATOM 0 HB3 GLU A 23 3.990 -11.123 10.160 1.00 21.20 H new ATOM 0 HG2 GLU A 23 2.866 -11.103 7.920 1.00 53.11 H new ATOM 0 HG3 GLU A 23 4.066 -9.969 7.332 1.00 53.11 H new ATOM 399 N LYS A 24 4.441 -8.044 11.724 1.00 44.51 N ATOM 400 CA LYS A 24 4.734 -7.591 13.102 1.00 21.51 C ATOM 401 C LYS A 24 3.625 -6.650 13.608 1.00 40.22 C ATOM 402 O LYS A 24 3.114 -6.811 14.719 1.00 3.53 O ATOM 403 CB LYS A 24 6.123 -6.890 13.151 1.00 3.10 C ATOM 404 CG LYS A 24 7.312 -7.836 12.869 1.00 51.42 C ATOM 405 CD LYS A 24 8.679 -7.107 12.841 1.00 61.23 C ATOM 406 CE LYS A 24 9.847 -8.060 12.530 1.00 30.44 C ATOM 407 NZ LYS A 24 11.167 -7.372 12.599 1.00 74.12 N ATOM 0 H LYS A 24 5.130 -7.732 11.040 1.00 44.51 H new ATOM 0 HA LYS A 24 4.764 -8.460 13.759 1.00 21.51 H new ATOM 0 HB2 LYS A 24 6.136 -6.079 12.423 1.00 3.10 H new ATOM 0 HB3 LYS A 24 6.256 -6.438 14.134 1.00 3.10 H new ATOM 0 HG2 LYS A 24 7.338 -8.614 13.632 1.00 51.42 H new ATOM 0 HG3 LYS A 24 7.153 -8.333 11.912 1.00 51.42 H new ATOM 0 HD2 LYS A 24 8.650 -6.316 12.092 1.00 61.23 H new ATOM 0 HD3 LYS A 24 8.852 -6.628 13.805 1.00 61.23 H new ATOM 0 HE2 LYS A 24 9.834 -8.890 13.236 1.00 30.44 H new ATOM 0 HE3 LYS A 24 9.712 -8.485 11.535 1.00 30.44 H new ATOM 0 HZ1 LYS A 24 11.924 -8.051 12.383 1.00 74.12 H new ATOM 0 HZ2 LYS A 24 11.190 -6.596 11.907 1.00 74.12 H new ATOM 0 HZ3 LYS A 24 11.309 -6.988 13.555 1.00 74.12 H new ATOM 421 N ALA A 25 3.231 -5.705 12.744 1.00 40.31 N ATOM 422 CA ALA A 25 2.183 -4.712 13.040 1.00 4.21 C ATOM 423 C ALA A 25 0.769 -5.332 12.998 1.00 74.32 C ATOM 424 O ALA A 25 -0.182 -4.720 13.501 1.00 72.03 O ATOM 425 CB ALA A 25 2.288 -3.544 12.041 1.00 34.34 C ATOM 0 H ALA A 25 3.632 -5.605 11.812 1.00 40.31 H new ATOM 0 HA ALA A 25 2.341 -4.345 14.054 1.00 4.21 H new ATOM 0 HB1 ALA A 25 1.513 -2.808 12.258 1.00 34.34 H new ATOM 0 HB2 ALA A 25 3.268 -3.076 12.130 1.00 34.34 H new ATOM 0 HB3 ALA A 25 2.157 -3.920 11.026 1.00 34.34 H new ATOM 431 N ASN A 26 0.663 -6.555 12.426 1.00 63.33 N ATOM 432 CA ASN A 26 -0.614 -7.209 12.081 1.00 51.35 C ATOM 433 C ASN A 26 -1.459 -6.300 11.159 1.00 62.12 C ATOM 434 O ASN A 26 -2.400 -5.620 11.584 1.00 32.51 O ATOM 435 CB ASN A 26 -1.405 -7.721 13.331 1.00 55.32 C ATOM 436 CG ASN A 26 -0.879 -9.053 13.915 1.00 42.53 C ATOM 437 OD1 ASN A 26 -0.411 -9.966 13.064 1.00 33.33 O flip ATOM 438 ND2 ASN A 26 -0.936 -9.283 15.124 1.00 71.32 N flip ATOM 0 H ASN A 26 1.478 -7.121 12.189 1.00 63.33 H new ATOM 0 HA ASN A 26 -0.375 -8.113 11.521 1.00 51.35 H new ATOM 0 HB2 ASN A 26 -1.368 -6.957 14.108 1.00 55.32 H new ATOM 0 HB3 ASN A 26 -2.453 -7.846 13.057 1.00 55.32 H new ATOM 0 HD21 ASN A 26 -1.297 -8.573 15.762 1.00 71.32 H new ATOM 0 HD22 ASN A 26 -0.622 -10.183 15.487 1.00 71.32 H new ATOM 445 N LEU A 27 -1.019 -6.265 9.899 1.00 73.13 N ATOM 446 CA LEU A 27 -1.626 -5.520 8.789 1.00 0.13 C ATOM 447 C LEU A 27 -1.555 -6.433 7.563 1.00 42.11 C ATOM 448 O LEU A 27 -0.500 -7.033 7.312 1.00 20.12 O ATOM 449 CB LEU A 27 -0.847 -4.192 8.501 1.00 74.42 C ATOM 450 CG LEU A 27 -0.855 -3.106 9.628 1.00 64.52 C ATOM 451 CD1 LEU A 27 0.002 -1.882 9.235 1.00 74.30 C ATOM 452 CD2 LEU A 27 -2.292 -2.681 9.987 1.00 1.03 C ATOM 0 H LEU A 27 -0.188 -6.781 9.609 1.00 73.13 H new ATOM 0 HA LEU A 27 -2.652 -5.245 9.034 1.00 0.13 H new ATOM 0 HB2 LEU A 27 0.190 -4.448 8.284 1.00 74.42 H new ATOM 0 HB3 LEU A 27 -1.261 -3.745 7.597 1.00 74.42 H new ATOM 0 HG LEU A 27 -0.409 -3.554 10.516 1.00 64.52 H new ATOM 0 HD11 LEU A 27 -0.024 -1.146 10.039 1.00 74.30 H new ATOM 0 HD12 LEU A 27 1.031 -2.198 9.066 1.00 74.30 H new ATOM 0 HD13 LEU A 27 -0.396 -1.437 8.323 1.00 74.30 H new ATOM 0 HD21 LEU A 27 -2.263 -1.926 10.773 1.00 1.03 H new ATOM 0 HD22 LEU A 27 -2.780 -2.268 9.105 1.00 1.03 H new ATOM 0 HD23 LEU A 27 -2.851 -3.548 10.338 1.00 1.03 H new ATOM 464 N GLU A 28 -2.657 -6.557 6.811 1.00 73.33 N ATOM 465 CA GLU A 28 -2.688 -7.421 5.624 1.00 2.35 C ATOM 466 C GLU A 28 -1.974 -6.712 4.461 1.00 13.15 C ATOM 467 O GLU A 28 -2.439 -5.673 3.984 1.00 35.11 O ATOM 468 CB GLU A 28 -4.143 -7.787 5.242 1.00 55.23 C ATOM 469 CG GLU A 28 -4.264 -8.684 3.987 1.00 41.31 C ATOM 470 CD GLU A 28 -5.717 -8.989 3.581 1.00 32.40 C ATOM 471 OE1 GLU A 28 -6.360 -9.824 4.245 1.00 50.43 O ATOM 472 OE2 GLU A 28 -6.213 -8.402 2.593 1.00 31.41 O ATOM 0 H GLU A 28 -3.534 -6.073 7.002 1.00 73.33 H new ATOM 0 HA GLU A 28 -2.167 -8.352 5.847 1.00 2.35 H new ATOM 0 HB2 GLU A 28 -4.611 -8.296 6.085 1.00 55.23 H new ATOM 0 HB3 GLU A 28 -4.704 -6.868 5.073 1.00 55.23 H new ATOM 0 HG2 GLU A 28 -3.758 -8.197 3.153 1.00 41.31 H new ATOM 0 HG3 GLU A 28 -3.743 -9.623 4.171 1.00 41.31 H new ATOM 479 N LEU A 29 -0.837 -7.275 4.024 1.00 50.24 N ATOM 480 CA LEU A 29 -0.047 -6.707 2.928 1.00 0.04 C ATOM 481 C LEU A 29 -0.331 -7.500 1.648 1.00 63.45 C ATOM 482 O LEU A 29 -0.210 -8.732 1.627 1.00 33.14 O ATOM 483 CB LEU A 29 1.468 -6.672 3.274 1.00 31.13 C ATOM 484 CG LEU A 29 2.400 -5.946 2.219 1.00 13.41 C ATOM 485 CD1 LEU A 29 3.554 -5.186 2.900 1.00 53.14 C ATOM 486 CD2 LEU A 29 2.965 -6.935 1.174 1.00 4.34 C ATOM 0 H LEU A 29 -0.444 -8.130 4.419 1.00 50.24 H new ATOM 0 HA LEU A 29 -0.341 -5.670 2.769 1.00 0.04 H new ATOM 0 HB2 LEU A 29 1.590 -6.178 4.238 1.00 31.13 H new ATOM 0 HB3 LEU A 29 1.818 -7.697 3.394 1.00 31.13 H new ATOM 0 HG LEU A 29 1.770 -5.222 1.702 1.00 13.41 H new ATOM 0 HD11 LEU A 29 4.169 -4.702 2.141 1.00 53.14 H new ATOM 0 HD12 LEU A 29 3.146 -4.431 3.572 1.00 53.14 H new ATOM 0 HD13 LEU A 29 4.165 -5.886 3.470 1.00 53.14 H new ATOM 0 HD21 LEU A 29 3.599 -6.397 0.469 1.00 4.34 H new ATOM 0 HD22 LEU A 29 3.553 -7.701 1.679 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.142 -7.405 0.636 1.00 4.34 H new ATOM 498 N ARG A 30 -0.729 -6.776 0.596 1.00 43.13 N ATOM 499 CA ARG A 30 -1.048 -7.337 -0.715 1.00 40.40 C ATOM 500 C ARG A 30 -0.035 -6.766 -1.726 1.00 34.40 C ATOM 501 O ARG A 30 0.042 -5.540 -1.907 1.00 51.10 O ATOM 502 CB ARG A 30 -2.505 -6.952 -1.110 1.00 65.52 C ATOM 503 CG ARG A 30 -3.586 -7.213 -0.028 1.00 5.54 C ATOM 504 CD ARG A 30 -3.888 -8.705 0.174 1.00 12.32 C ATOM 505 NE ARG A 30 -4.507 -9.314 -1.016 1.00 10.51 N ATOM 506 CZ ARG A 30 -5.827 -9.515 -1.198 1.00 24.33 C ATOM 507 NH1 ARG A 30 -6.725 -9.168 -0.270 1.00 33.53 N ATOM 508 NH2 ARG A 30 -6.243 -10.070 -2.328 1.00 62.43 N ATOM 0 H ARG A 30 -0.840 -5.763 0.636 1.00 43.13 H new ATOM 0 HA ARG A 30 -0.983 -8.425 -0.701 1.00 40.40 H new ATOM 0 HB2 ARG A 30 -2.524 -5.893 -1.369 1.00 65.52 H new ATOM 0 HB3 ARG A 30 -2.776 -7.505 -2.009 1.00 65.52 H new ATOM 0 HG2 ARG A 30 -3.256 -6.784 0.918 1.00 5.54 H new ATOM 0 HG3 ARG A 30 -4.504 -6.697 -0.309 1.00 5.54 H new ATOM 0 HD2 ARG A 30 -2.964 -9.232 0.411 1.00 12.32 H new ATOM 0 HD3 ARG A 30 -4.552 -8.827 1.030 1.00 12.32 H new ATOM 0 HE ARG A 30 -3.883 -9.609 -1.767 1.00 10.51 H new ATOM 0 HH11 ARG A 30 -6.417 -8.739 0.603 1.00 33.53 H new ATOM 0 HH12 ARG A 30 -7.718 -9.332 -0.435 1.00 33.53 H new ATOM 0 HH21 ARG A 30 -5.567 -10.338 -3.044 1.00 62.43 H new ATOM 0 HH22 ARG A 30 -7.239 -10.229 -2.482 1.00 62.43 H new ATOM 522 N THR A 31 0.744 -7.653 -2.361 1.00 31.11 N ATOM 523 CA THR A 31 1.813 -7.267 -3.290 1.00 34.32 C ATOM 524 C THR A 31 1.220 -6.929 -4.672 1.00 74.44 C ATOM 525 O THR A 31 0.643 -7.790 -5.349 1.00 54.01 O ATOM 526 CB THR A 31 2.874 -8.411 -3.401 1.00 35.33 C ATOM 527 OG1 THR A 31 2.234 -9.643 -3.780 1.00 42.02 O ATOM 528 CG2 THR A 31 3.611 -8.619 -2.068 1.00 62.11 C ATOM 0 H THR A 31 0.649 -8.662 -2.244 1.00 31.11 H new ATOM 0 HA THR A 31 2.312 -6.377 -2.906 1.00 34.32 H new ATOM 0 HB THR A 31 3.599 -8.118 -4.161 1.00 35.33 H new ATOM 0 HG1 THR A 31 1.518 -9.456 -4.422 1.00 42.02 H new ATOM 0 HG21 THR A 31 4.342 -9.420 -2.177 1.00 62.11 H new ATOM 0 HG22 THR A 31 4.122 -7.698 -1.787 1.00 62.11 H new ATOM 0 HG23 THR A 31 2.893 -8.886 -1.293 1.00 62.11 H new ATOM 536 N VAL A 32 1.340 -5.653 -5.054 1.00 11.32 N ATOM 537 CA VAL A 32 0.793 -5.110 -6.305 1.00 4.12 C ATOM 538 C VAL A 32 1.843 -5.210 -7.426 1.00 4.43 C ATOM 539 O VAL A 32 3.045 -5.028 -7.189 1.00 13.10 O ATOM 540 CB VAL A 32 0.338 -3.618 -6.117 1.00 20.03 C ATOM 541 CG1 VAL A 32 -0.364 -3.069 -7.378 1.00 61.15 C ATOM 542 CG2 VAL A 32 -0.551 -3.460 -4.862 1.00 54.32 C ATOM 0 H VAL A 32 1.829 -4.955 -4.493 1.00 11.32 H new ATOM 0 HA VAL A 32 -0.081 -5.699 -6.582 1.00 4.12 H new ATOM 0 HB VAL A 32 1.237 -3.020 -5.966 1.00 20.03 H new ATOM 0 HG11 VAL A 32 -0.663 -2.035 -7.207 1.00 61.15 H new ATOM 0 HG12 VAL A 32 0.321 -3.113 -8.224 1.00 61.15 H new ATOM 0 HG13 VAL A 32 -1.247 -3.671 -7.594 1.00 61.15 H new ATOM 0 HG21 VAL A 32 -0.851 -2.417 -4.757 1.00 54.32 H new ATOM 0 HG22 VAL A 32 -1.439 -4.084 -4.964 1.00 54.32 H new ATOM 0 HG23 VAL A 32 0.009 -3.767 -3.979 1.00 54.32 H new ATOM 552 N LYS A 33 1.364 -5.501 -8.647 1.00 62.32 N ATOM 553 CA LYS A 33 2.204 -5.879 -9.804 1.00 35.24 C ATOM 554 C LYS A 33 1.995 -4.857 -10.938 1.00 51.11 C ATOM 555 O LYS A 33 2.954 -4.330 -11.512 1.00 23.02 O ATOM 556 CB LYS A 33 1.788 -7.317 -10.238 1.00 33.51 C ATOM 557 CG LYS A 33 1.660 -8.297 -9.034 1.00 31.45 C ATOM 558 CD LYS A 33 0.716 -9.489 -9.299 1.00 23.20 C ATOM 559 CE LYS A 33 0.279 -10.170 -7.988 1.00 41.34 C ATOM 560 NZ LYS A 33 -0.768 -11.203 -8.208 1.00 60.34 N ATOM 0 H LYS A 33 0.368 -5.481 -8.865 1.00 62.32 H new ATOM 0 HA LYS A 33 3.264 -5.875 -9.550 1.00 35.24 H new ATOM 0 HB2 LYS A 33 0.836 -7.271 -10.766 1.00 33.51 H new ATOM 0 HB3 LYS A 33 2.524 -7.707 -10.941 1.00 33.51 H new ATOM 0 HG2 LYS A 33 2.649 -8.678 -8.781 1.00 31.45 H new ATOM 0 HG3 LYS A 33 1.299 -7.746 -8.166 1.00 31.45 H new ATOM 0 HD2 LYS A 33 -0.164 -9.143 -9.841 1.00 23.20 H new ATOM 0 HD3 LYS A 33 1.218 -10.216 -9.937 1.00 23.20 H new ATOM 0 HE2 LYS A 33 1.146 -10.630 -7.514 1.00 41.34 H new ATOM 0 HE3 LYS A 33 -0.098 -9.415 -7.298 1.00 41.34 H new ATOM 0 HZ1 LYS A 33 -1.114 -11.548 -7.290 1.00 60.34 H new ATOM 0 HZ2 LYS A 33 -1.558 -10.788 -8.742 1.00 60.34 H new ATOM 0 HZ3 LYS A 33 -0.365 -11.996 -8.747 1.00 60.34 H new ATOM 574 N THR A 34 0.711 -4.598 -11.246 1.00 1.22 N ATOM 575 CA THR A 34 0.267 -3.572 -12.209 1.00 13.01 C ATOM 576 C THR A 34 -0.782 -2.662 -11.537 1.00 51.45 C ATOM 577 O THR A 34 -1.218 -2.944 -10.410 1.00 64.24 O ATOM 578 CB THR A 34 -0.362 -4.234 -13.482 1.00 42.41 C ATOM 579 OG1 THR A 34 -1.481 -5.050 -13.102 1.00 1.21 O ATOM 580 CG2 THR A 34 0.648 -5.089 -14.268 1.00 75.54 C ATOM 0 H THR A 34 -0.065 -5.108 -10.823 1.00 1.22 H new ATOM 0 HA THR A 34 1.133 -2.986 -12.515 1.00 13.01 H new ATOM 0 HB THR A 34 -0.684 -3.424 -14.136 1.00 42.41 H new ATOM 0 HG1 THR A 34 -1.873 -5.461 -13.901 1.00 1.21 H new ATOM 0 HG21 THR A 34 0.157 -5.523 -15.139 1.00 75.54 H new ATOM 0 HG22 THR A 34 1.479 -4.463 -14.594 1.00 75.54 H new ATOM 0 HG23 THR A 34 1.024 -5.887 -13.628 1.00 75.54 H new ATOM 588 N GLU A 35 -1.211 -1.595 -12.240 1.00 4.13 N ATOM 589 CA GLU A 35 -2.253 -0.683 -11.722 1.00 22.12 C ATOM 590 C GLU A 35 -3.622 -1.401 -11.656 1.00 54.41 C ATOM 591 O GLU A 35 -4.491 -1.025 -10.874 1.00 10.02 O ATOM 592 CB GLU A 35 -2.367 0.610 -12.577 1.00 22.51 C ATOM 593 CG GLU A 35 -3.034 0.426 -13.956 1.00 21.04 C ATOM 594 CD GLU A 35 -3.273 1.749 -14.696 1.00 64.32 C ATOM 595 OE1 GLU A 35 -4.093 2.567 -14.225 1.00 30.41 O ATOM 596 OE2 GLU A 35 -2.652 1.988 -15.746 1.00 42.33 O ATOM 0 H GLU A 35 -0.855 -1.344 -13.162 1.00 4.13 H new ATOM 0 HA GLU A 35 -1.956 -0.391 -10.715 1.00 22.12 H new ATOM 0 HB2 GLU A 35 -2.933 1.351 -12.013 1.00 22.51 H new ATOM 0 HB3 GLU A 35 -1.367 1.018 -12.726 1.00 22.51 H new ATOM 0 HG2 GLU A 35 -2.407 -0.219 -14.572 1.00 21.04 H new ATOM 0 HG3 GLU A 35 -3.987 -0.087 -13.825 1.00 21.04 H new ATOM 603 N ASP A 36 -3.797 -2.436 -12.505 1.00 32.24 N ATOM 604 CA ASP A 36 -5.025 -3.250 -12.538 1.00 0.13 C ATOM 605 C ASP A 36 -5.072 -4.230 -11.353 1.00 25.44 C ATOM 606 O ASP A 36 -6.156 -4.619 -10.899 1.00 73.30 O ATOM 607 CB ASP A 36 -5.140 -3.983 -13.890 1.00 15.40 C ATOM 608 CG ASP A 36 -6.509 -4.661 -14.100 1.00 24.22 C ATOM 609 OD1 ASP A 36 -7.493 -3.947 -14.387 1.00 25.12 O ATOM 610 OD2 ASP A 36 -6.600 -5.902 -14.008 1.00 51.22 O ATOM 0 H ASP A 36 -3.093 -2.728 -13.183 1.00 32.24 H new ATOM 0 HA ASP A 36 -5.885 -2.588 -12.439 1.00 0.13 H new ATOM 0 HB2 ASP A 36 -4.967 -3.271 -14.697 1.00 15.40 H new ATOM 0 HB3 ASP A 36 -4.355 -4.736 -13.955 1.00 15.40 H new ATOM 615 N GLU A 37 -3.889 -4.607 -10.833 1.00 30.01 N ATOM 616 CA GLU A 37 -3.786 -5.353 -9.563 1.00 64.35 C ATOM 617 C GLU A 37 -4.121 -4.418 -8.384 1.00 33.13 C ATOM 618 O GLU A 37 -4.790 -4.817 -7.436 1.00 40.43 O ATOM 619 CB GLU A 37 -2.372 -5.959 -9.393 1.00 22.31 C ATOM 620 CG GLU A 37 -1.984 -6.976 -10.482 1.00 2.42 C ATOM 621 CD GLU A 37 -2.855 -8.249 -10.490 1.00 52.32 C ATOM 622 OE1 GLU A 37 -2.609 -9.155 -9.664 1.00 50.32 O ATOM 623 OE2 GLU A 37 -3.787 -8.359 -11.317 1.00 73.23 O ATOM 0 H GLU A 37 -2.990 -4.408 -11.272 1.00 30.01 H new ATOM 0 HA GLU A 37 -4.501 -6.175 -9.580 1.00 64.35 H new ATOM 0 HB2 GLU A 37 -1.641 -5.151 -9.390 1.00 22.31 H new ATOM 0 HB3 GLU A 37 -2.313 -6.446 -8.420 1.00 22.31 H new ATOM 0 HG2 GLU A 37 -2.055 -6.494 -11.457 1.00 2.42 H new ATOM 0 HG3 GLU A 37 -0.942 -7.262 -10.343 1.00 2.42 H new ATOM 630 N LEU A 38 -3.675 -3.153 -8.496 1.00 74.21 N ATOM 631 CA LEU A 38 -3.978 -2.079 -7.520 1.00 71.11 C ATOM 632 C LEU A 38 -5.517 -1.889 -7.445 1.00 21.41 C ATOM 633 O LEU A 38 -6.097 -1.800 -6.353 1.00 63.41 O ATOM 634 CB LEU A 38 -3.218 -0.776 -7.965 1.00 24.41 C ATOM 635 CG LEU A 38 -2.993 0.368 -6.910 1.00 72.34 C ATOM 636 CD1 LEU A 38 -4.275 1.167 -6.604 1.00 11.43 C ATOM 637 CD2 LEU A 38 -2.360 -0.188 -5.619 1.00 25.32 C ATOM 0 H LEU A 38 -3.090 -2.841 -9.271 1.00 74.21 H new ATOM 0 HA LEU A 38 -3.637 -2.333 -6.517 1.00 71.11 H new ATOM 0 HB2 LEU A 38 -2.239 -1.076 -8.340 1.00 24.41 H new ATOM 0 HB3 LEU A 38 -3.763 -0.347 -8.806 1.00 24.41 H new ATOM 0 HG LEU A 38 -2.295 1.073 -7.362 1.00 72.34 H new ATOM 0 HD11 LEU A 38 -4.054 1.941 -5.869 1.00 11.43 H new ATOM 0 HD12 LEU A 38 -4.643 1.630 -7.520 1.00 11.43 H new ATOM 0 HD13 LEU A 38 -5.036 0.496 -6.206 1.00 11.43 H new ATOM 0 HD21 LEU A 38 -2.215 0.624 -4.906 1.00 25.32 H new ATOM 0 HD22 LEU A 38 -3.020 -0.939 -5.185 1.00 25.32 H new ATOM 0 HD23 LEU A 38 -1.397 -0.642 -5.852 1.00 25.32 H new ATOM 649 N LYS A 39 -6.151 -1.918 -8.635 1.00 2.05 N ATOM 650 CA LYS A 39 -7.614 -1.866 -8.792 1.00 53.33 C ATOM 651 C LYS A 39 -8.291 -3.064 -8.101 1.00 31.31 C ATOM 652 O LYS A 39 -9.234 -2.869 -7.340 1.00 22.40 O ATOM 653 CB LYS A 39 -8.003 -1.859 -10.297 1.00 5.25 C ATOM 654 CG LYS A 39 -7.712 -0.542 -11.047 1.00 23.44 C ATOM 655 CD LYS A 39 -7.865 -0.693 -12.585 1.00 4.30 C ATOM 656 CE LYS A 39 -9.244 -1.219 -13.022 1.00 20.51 C ATOM 657 NZ LYS A 39 -9.284 -1.537 -14.481 1.00 12.41 N ATOM 0 H LYS A 39 -5.653 -1.979 -9.523 1.00 2.05 H new ATOM 0 HA LYS A 39 -7.960 -0.945 -8.322 1.00 53.33 H new ATOM 0 HB2 LYS A 39 -7.470 -2.668 -10.797 1.00 5.25 H new ATOM 0 HB3 LYS A 39 -9.067 -2.078 -10.381 1.00 5.25 H new ATOM 0 HG2 LYS A 39 -8.390 0.234 -10.691 1.00 23.44 H new ATOM 0 HG3 LYS A 39 -6.700 -0.211 -10.816 1.00 23.44 H new ATOM 0 HD2 LYS A 39 -7.690 0.275 -13.055 1.00 4.30 H new ATOM 0 HD3 LYS A 39 -7.094 -1.371 -12.953 1.00 4.30 H new ATOM 0 HE2 LYS A 39 -9.489 -2.113 -12.449 1.00 20.51 H new ATOM 0 HE3 LYS A 39 -10.006 -0.474 -12.792 1.00 20.51 H new ATOM 0 HZ1 LYS A 39 -10.266 -1.724 -14.769 1.00 12.41 H new ATOM 0 HZ2 LYS A 39 -8.913 -0.730 -15.022 1.00 12.41 H new ATOM 0 HZ3 LYS A 39 -8.702 -2.378 -14.669 1.00 12.41 H new ATOM 671 N LYS A 40 -7.775 -4.291 -8.367 1.00 23.51 N ATOM 672 CA LYS A 40 -8.410 -5.552 -7.907 1.00 3.21 C ATOM 673 C LYS A 40 -8.481 -5.592 -6.370 1.00 71.23 C ATOM 674 O LYS A 40 -9.483 -6.028 -5.800 1.00 74.13 O ATOM 675 CB LYS A 40 -7.642 -6.813 -8.465 1.00 35.52 C ATOM 676 CG LYS A 40 -6.581 -7.433 -7.515 1.00 15.22 C ATOM 677 CD LYS A 40 -5.596 -8.391 -8.207 1.00 71.55 C ATOM 678 CE LYS A 40 -6.250 -9.630 -8.824 1.00 22.04 C ATOM 679 NZ LYS A 40 -5.231 -10.485 -9.498 1.00 34.13 N ATOM 0 H LYS A 40 -6.917 -4.433 -8.900 1.00 23.51 H new ATOM 0 HA LYS A 40 -9.426 -5.580 -8.300 1.00 3.21 H new ATOM 0 HB2 LYS A 40 -8.375 -7.581 -8.712 1.00 35.52 H new ATOM 0 HB3 LYS A 40 -7.149 -6.532 -9.396 1.00 35.52 H new ATOM 0 HG2 LYS A 40 -6.017 -6.628 -7.044 1.00 15.22 H new ATOM 0 HG3 LYS A 40 -7.094 -7.971 -6.718 1.00 15.22 H new ATOM 0 HD2 LYS A 40 -5.067 -7.847 -8.989 1.00 71.55 H new ATOM 0 HD3 LYS A 40 -4.849 -8.712 -7.481 1.00 71.55 H new ATOM 0 HE2 LYS A 40 -6.757 -10.204 -8.048 1.00 22.04 H new ATOM 0 HE3 LYS A 40 -7.010 -9.326 -9.544 1.00 22.04 H new ATOM 0 HZ1 LYS A 40 -5.485 -10.604 -10.499 1.00 34.13 H new ATOM 0 HZ2 LYS A 40 -4.297 -10.032 -9.429 1.00 34.13 H new ATOM 0 HZ3 LYS A 40 -5.199 -11.416 -9.036 1.00 34.13 H new ATOM 693 N TYR A 41 -7.402 -5.096 -5.727 1.00 22.04 N ATOM 694 CA TYR A 41 -7.298 -5.054 -4.262 1.00 63.21 C ATOM 695 C TYR A 41 -8.284 -4.037 -3.688 1.00 12.22 C ATOM 696 O TYR A 41 -9.008 -4.343 -2.739 1.00 21.43 O ATOM 697 CB TYR A 41 -5.847 -4.746 -3.814 1.00 33.43 C ATOM 698 CG TYR A 41 -4.830 -5.842 -4.193 1.00 61.24 C ATOM 699 CD1 TYR A 41 -5.114 -7.193 -3.973 1.00 5.22 C ATOM 700 CD2 TYR A 41 -3.593 -5.531 -4.763 1.00 22.53 C ATOM 701 CE1 TYR A 41 -4.210 -8.181 -4.320 1.00 65.42 C ATOM 702 CE2 TYR A 41 -2.687 -6.522 -5.108 1.00 10.14 C ATOM 703 CZ TYR A 41 -3.000 -7.845 -4.884 1.00 70.53 C ATOM 704 OH TYR A 41 -2.109 -8.842 -5.239 1.00 4.41 O ATOM 0 H TYR A 41 -6.587 -4.717 -6.209 1.00 22.04 H new ATOM 0 HA TYR A 41 -7.558 -6.038 -3.871 1.00 63.21 H new ATOM 0 HB2 TYR A 41 -5.532 -3.802 -4.259 1.00 33.43 H new ATOM 0 HB3 TYR A 41 -5.832 -4.609 -2.733 1.00 33.43 H new ATOM 0 HD1 TYR A 41 -6.056 -7.470 -3.524 1.00 5.22 H new ATOM 0 HD2 TYR A 41 -3.337 -4.497 -4.939 1.00 22.53 H new ATOM 0 HE1 TYR A 41 -4.454 -9.219 -4.148 1.00 65.42 H new ATOM 0 HE2 TYR A 41 -1.738 -6.258 -5.551 1.00 10.14 H new ATOM 0 HH TYR A 41 -1.202 -8.473 -5.271 1.00 4.41 H new ATOM 714 N LEU A 42 -8.331 -2.833 -4.304 1.00 20.11 N ATOM 715 CA LEU A 42 -9.278 -1.774 -3.908 1.00 65.42 C ATOM 716 C LEU A 42 -10.754 -2.218 -4.106 1.00 42.14 C ATOM 717 O LEU A 42 -11.615 -1.818 -3.332 1.00 40.40 O ATOM 718 CB LEU A 42 -8.992 -0.448 -4.667 1.00 41.33 C ATOM 719 CG LEU A 42 -7.647 0.284 -4.330 1.00 20.51 C ATOM 720 CD1 LEU A 42 -7.494 1.568 -5.178 1.00 21.31 C ATOM 721 CD2 LEU A 42 -7.530 0.593 -2.816 1.00 50.13 C ATOM 0 H LEU A 42 -7.721 -2.574 -5.079 1.00 20.11 H new ATOM 0 HA LEU A 42 -9.129 -1.593 -2.844 1.00 65.42 H new ATOM 0 HB2 LEU A 42 -9.005 -0.659 -5.736 1.00 41.33 H new ATOM 0 HB3 LEU A 42 -9.813 0.241 -4.468 1.00 41.33 H new ATOM 0 HG LEU A 42 -6.829 -0.390 -4.586 1.00 20.51 H new ATOM 0 HD11 LEU A 42 -6.554 2.060 -4.928 1.00 21.31 H new ATOM 0 HD12 LEU A 42 -7.497 1.307 -6.236 1.00 21.31 H new ATOM 0 HD13 LEU A 42 -8.324 2.243 -4.969 1.00 21.31 H new ATOM 0 HD21 LEU A 42 -6.585 1.100 -2.620 1.00 50.13 H new ATOM 0 HD22 LEU A 42 -8.357 1.235 -2.511 1.00 50.13 H new ATOM 0 HD23 LEU A 42 -7.566 -0.338 -2.251 1.00 50.13 H new ATOM 733 N GLU A 43 -11.023 -3.054 -5.130 1.00 22.11 N ATOM 734 CA GLU A 43 -12.355 -3.677 -5.351 1.00 50.34 C ATOM 735 C GLU A 43 -12.761 -4.566 -4.158 1.00 12.44 C ATOM 736 O GLU A 43 -13.908 -4.511 -3.683 1.00 12.03 O ATOM 737 CB GLU A 43 -12.357 -4.527 -6.648 1.00 52.14 C ATOM 738 CG GLU A 43 -12.326 -3.729 -7.964 1.00 22.23 C ATOM 739 CD GLU A 43 -13.622 -2.948 -8.244 1.00 71.31 C ATOM 740 OE1 GLU A 43 -14.714 -3.555 -8.225 1.00 63.54 O ATOM 741 OE2 GLU A 43 -13.560 -1.733 -8.503 1.00 51.13 O ATOM 0 H GLU A 43 -10.328 -3.319 -5.828 1.00 22.11 H new ATOM 0 HA GLU A 43 -13.079 -2.868 -5.449 1.00 50.34 H new ATOM 0 HB2 GLU A 43 -11.494 -5.192 -6.627 1.00 52.14 H new ATOM 0 HB3 GLU A 43 -13.246 -5.158 -6.647 1.00 52.14 H new ATOM 0 HG2 GLU A 43 -11.490 -3.030 -7.935 1.00 22.23 H new ATOM 0 HG3 GLU A 43 -12.140 -4.415 -8.790 1.00 22.23 H new ATOM 748 N GLU A 44 -11.796 -5.377 -3.688 1.00 24.42 N ATOM 749 CA GLU A 44 -11.961 -6.235 -2.496 1.00 11.14 C ATOM 750 C GLU A 44 -12.155 -5.374 -1.232 1.00 0.34 C ATOM 751 O GLU A 44 -12.736 -5.827 -0.253 1.00 33.50 O ATOM 752 CB GLU A 44 -10.732 -7.172 -2.342 1.00 23.45 C ATOM 753 CG GLU A 44 -10.507 -8.103 -3.549 1.00 33.35 C ATOM 754 CD GLU A 44 -9.213 -8.935 -3.455 1.00 31.40 C ATOM 755 OE1 GLU A 44 -9.176 -9.899 -2.658 1.00 54.53 O ATOM 756 OE2 GLU A 44 -8.245 -8.661 -4.204 1.00 52.42 O ATOM 0 H GLU A 44 -10.877 -5.457 -4.124 1.00 24.42 H new ATOM 0 HA GLU A 44 -12.852 -6.849 -2.625 1.00 11.14 H new ATOM 0 HB2 GLU A 44 -9.840 -6.564 -2.192 1.00 23.45 H new ATOM 0 HB3 GLU A 44 -10.859 -7.779 -1.445 1.00 23.45 H new ATOM 0 HG2 GLU A 44 -11.358 -8.779 -3.639 1.00 33.35 H new ATOM 0 HG3 GLU A 44 -10.478 -7.504 -4.459 1.00 33.35 H new ATOM 763 N PHE A 45 -11.623 -4.136 -1.266 1.00 54.25 N ATOM 764 CA PHE A 45 -11.774 -3.154 -0.176 1.00 72.34 C ATOM 765 C PHE A 45 -13.061 -2.294 -0.314 1.00 52.10 C ATOM 766 O PHE A 45 -13.488 -1.688 0.662 1.00 64.41 O ATOM 767 CB PHE A 45 -10.514 -2.240 -0.116 1.00 61.10 C ATOM 768 CG PHE A 45 -9.166 -2.973 0.043 1.00 51.22 C ATOM 769 CD1 PHE A 45 -9.073 -4.246 0.623 1.00 72.14 C ATOM 770 CD2 PHE A 45 -7.986 -2.382 -0.408 1.00 60.44 C ATOM 771 CE1 PHE A 45 -7.851 -4.897 0.732 1.00 14.43 C ATOM 772 CE2 PHE A 45 -6.772 -3.035 -0.297 1.00 3.25 C ATOM 773 CZ PHE A 45 -6.703 -4.289 0.276 1.00 72.41 C ATOM 0 H PHE A 45 -11.075 -3.789 -2.053 1.00 54.25 H new ATOM 0 HA PHE A 45 -11.872 -3.713 0.755 1.00 72.34 H new ATOM 0 HB2 PHE A 45 -10.477 -1.642 -1.027 1.00 61.10 H new ATOM 0 HB3 PHE A 45 -10.630 -1.546 0.716 1.00 61.10 H new ATOM 0 HD1 PHE A 45 -9.966 -4.728 0.991 1.00 72.14 H new ATOM 0 HD2 PHE A 45 -8.021 -1.398 -0.851 1.00 60.44 H new ATOM 0 HE1 PHE A 45 -7.801 -5.881 1.175 1.00 14.43 H new ATOM 0 HE2 PHE A 45 -5.872 -2.561 -0.661 1.00 3.25 H new ATOM 0 HZ PHE A 45 -5.751 -4.792 0.366 1.00 72.41 H new ATOM 783 N ARG A 46 -13.664 -2.241 -1.529 1.00 30.32 N ATOM 784 CA ARG A 46 -14.901 -1.444 -1.792 1.00 31.21 C ATOM 785 C ARG A 46 -16.107 -2.018 -1.025 1.00 53.32 C ATOM 786 O ARG A 46 -16.835 -1.286 -0.344 1.00 0.12 O ATOM 787 CB ARG A 46 -15.246 -1.400 -3.316 1.00 72.04 C ATOM 788 CG ARG A 46 -14.371 -0.461 -4.170 1.00 52.45 C ATOM 789 CD ARG A 46 -14.787 -0.474 -5.655 1.00 42.10 C ATOM 790 NE ARG A 46 -16.201 -0.104 -5.861 1.00 3.41 N ATOM 791 CZ ARG A 46 -16.917 -0.330 -6.984 1.00 23.50 C ATOM 792 NH1 ARG A 46 -16.378 -0.937 -8.047 1.00 73.42 N ATOM 793 NH2 ARG A 46 -18.187 0.050 -7.032 1.00 34.21 N ATOM 0 H ARG A 46 -13.316 -2.741 -2.347 1.00 30.32 H new ATOM 0 HA ARG A 46 -14.698 -0.431 -1.445 1.00 31.21 H new ATOM 0 HB2 ARG A 46 -15.164 -2.410 -3.718 1.00 72.04 H new ATOM 0 HB3 ARG A 46 -16.287 -1.097 -3.426 1.00 72.04 H new ATOM 0 HG2 ARG A 46 -14.444 0.555 -3.782 1.00 52.45 H new ATOM 0 HG3 ARG A 46 -13.327 -0.761 -4.084 1.00 52.45 H new ATOM 0 HD2 ARG A 46 -14.152 0.216 -6.211 1.00 42.10 H new ATOM 0 HD3 ARG A 46 -14.614 -1.468 -6.067 1.00 42.10 H new ATOM 0 HE ARG A 46 -16.678 0.362 -5.089 1.00 3.41 H new ATOM 0 HH11 ARG A 46 -15.405 -1.241 -8.022 1.00 73.42 H new ATOM 0 HH12 ARG A 46 -16.940 -1.096 -8.883 1.00 73.42 H new ATOM 0 HH21 ARG A 46 -18.613 0.508 -6.226 1.00 34.21 H new ATOM 0 HH22 ARG A 46 -18.737 -0.115 -7.875 1.00 34.21 H new ATOM 807 N LYS A 47 -16.286 -3.342 -1.156 1.00 53.31 N ATOM 808 CA LYS A 47 -17.383 -4.104 -0.504 1.00 21.21 C ATOM 809 C LYS A 47 -17.372 -3.943 1.031 1.00 2.33 C ATOM 810 O LYS A 47 -18.411 -4.060 1.687 1.00 30.11 O ATOM 811 CB LYS A 47 -17.272 -5.607 -0.895 1.00 20.13 C ATOM 812 CG LYS A 47 -15.858 -6.204 -0.723 1.00 72.35 C ATOM 813 CD LYS A 47 -15.771 -7.705 -1.092 1.00 44.00 C ATOM 814 CE LYS A 47 -16.476 -8.617 -0.076 1.00 15.14 C ATOM 815 NZ LYS A 47 -15.828 -8.546 1.261 1.00 51.12 N ATOM 0 H LYS A 47 -15.671 -3.927 -1.722 1.00 53.31 H new ATOM 0 HA LYS A 47 -18.331 -3.699 -0.858 1.00 21.21 H new ATOM 0 HB2 LYS A 47 -17.973 -6.181 -0.289 1.00 20.13 H new ATOM 0 HB3 LYS A 47 -17.579 -5.724 -1.934 1.00 20.13 H new ATOM 0 HG2 LYS A 47 -15.158 -5.644 -1.344 1.00 72.35 H new ATOM 0 HG3 LYS A 47 -15.541 -6.074 0.312 1.00 72.35 H new ATOM 0 HD2 LYS A 47 -16.214 -7.857 -2.076 1.00 44.00 H new ATOM 0 HD3 LYS A 47 -14.723 -7.995 -1.165 1.00 44.00 H new ATOM 0 HE2 LYS A 47 -17.523 -8.327 0.010 1.00 15.14 H new ATOM 0 HE3 LYS A 47 -16.459 -9.646 -0.436 1.00 15.14 H new ATOM 0 HZ1 LYS A 47 -15.563 -9.503 1.569 1.00 51.12 H new ATOM 0 HZ2 LYS A 47 -14.976 -7.952 1.203 1.00 51.12 H new ATOM 0 HZ3 LYS A 47 -16.492 -8.133 1.947 1.00 51.12 H new ATOM 829 N GLU A 48 -16.190 -3.645 1.576 1.00 31.03 N ATOM 830 CA GLU A 48 -15.969 -3.473 3.022 1.00 12.14 C ATOM 831 C GLU A 48 -15.289 -2.121 3.295 1.00 41.55 C ATOM 832 O GLU A 48 -14.465 -1.988 4.204 1.00 31.13 O ATOM 833 CB GLU A 48 -15.127 -4.670 3.526 1.00 11.33 C ATOM 834 CG GLU A 48 -13.801 -4.873 2.761 1.00 15.12 C ATOM 835 CD GLU A 48 -13.165 -6.236 3.031 1.00 3.21 C ATOM 836 OE1 GLU A 48 -13.635 -7.242 2.450 1.00 74.11 O ATOM 837 OE2 GLU A 48 -12.215 -6.322 3.832 1.00 23.14 O ATOM 0 H GLU A 48 -15.345 -3.514 1.021 1.00 31.03 H new ATOM 0 HA GLU A 48 -16.915 -3.461 3.563 1.00 12.14 H new ATOM 0 HB2 GLU A 48 -14.906 -4.525 4.583 1.00 11.33 H new ATOM 0 HB3 GLU A 48 -15.723 -5.579 3.446 1.00 11.33 H new ATOM 0 HG2 GLU A 48 -13.984 -4.768 1.692 1.00 15.12 H new ATOM 0 HG3 GLU A 48 -13.100 -4.088 3.043 1.00 15.12 H new ATOM 844 N SER A 49 -15.697 -1.091 2.524 1.00 72.31 N ATOM 845 CA SER A 49 -15.166 0.282 2.660 1.00 62.33 C ATOM 846 C SER A 49 -15.759 1.027 3.889 1.00 42.42 C ATOM 847 O SER A 49 -15.568 2.244 4.040 1.00 44.34 O ATOM 848 CB SER A 49 -15.376 1.065 1.340 1.00 72.22 C ATOM 849 OG SER A 49 -14.714 2.323 1.342 1.00 31.53 O ATOM 0 H SER A 49 -16.401 -1.187 1.792 1.00 72.31 H new ATOM 0 HA SER A 49 -14.094 0.214 2.848 1.00 62.33 H new ATOM 0 HB2 SER A 49 -15.011 0.467 0.505 1.00 72.22 H new ATOM 0 HB3 SER A 49 -16.443 1.220 1.179 1.00 72.22 H new ATOM 0 HG SER A 49 -14.829 2.752 2.216 1.00 31.53 H new ATOM 855 N GLN A 50 -16.458 0.285 4.762 1.00 32.03 N ATOM 856 CA GLN A 50 -16.921 0.769 6.072 1.00 62.22 C ATOM 857 C GLN A 50 -15.727 0.933 7.049 1.00 3.22 C ATOM 858 O GLN A 50 -15.169 -0.063 7.547 1.00 62.25 O ATOM 859 CB GLN A 50 -18.004 -0.195 6.643 1.00 21.13 C ATOM 860 CG GLN A 50 -17.602 -1.688 6.696 1.00 13.10 C ATOM 861 CD GLN A 50 -18.670 -2.585 7.322 1.00 2.13 C ATOM 862 OE1 GLN A 50 -19.554 -3.097 6.632 1.00 34.24 O ATOM 863 NE2 GLN A 50 -18.600 -2.781 8.632 1.00 23.25 N ATOM 0 H GLN A 50 -16.721 -0.682 4.575 1.00 32.03 H new ATOM 0 HA GLN A 50 -17.376 1.752 5.948 1.00 62.22 H new ATOM 0 HB2 GLN A 50 -18.261 0.131 7.651 1.00 21.13 H new ATOM 0 HB3 GLN A 50 -18.906 -0.100 6.038 1.00 21.13 H new ATOM 0 HG2 GLN A 50 -17.394 -2.036 5.684 1.00 13.10 H new ATOM 0 HG3 GLN A 50 -16.677 -1.787 7.264 1.00 13.10 H new ATOM 0 HE21 GLN A 50 -17.856 -2.343 9.174 1.00 23.25 H new ATOM 0 HE22 GLN A 50 -19.291 -3.370 9.097 1.00 23.25 H new ATOM 872 N ASN A 51 -15.310 2.205 7.265 1.00 34.40 N ATOM 873 CA ASN A 51 -14.211 2.569 8.192 1.00 43.30 C ATOM 874 C ASN A 51 -12.913 1.825 7.822 1.00 24.21 C ATOM 875 O ASN A 51 -12.370 1.040 8.607 1.00 4.44 O ATOM 876 CB ASN A 51 -14.614 2.314 9.677 1.00 1.00 C ATOM 877 CG ASN A 51 -15.727 3.240 10.189 1.00 35.33 C ATOM 878 OD1 ASN A 51 -16.570 3.723 9.426 1.00 13.32 O ATOM 879 ND2 ASN A 51 -15.734 3.505 11.486 1.00 41.21 N ATOM 0 H ASN A 51 -15.729 3.010 6.799 1.00 34.40 H new ATOM 0 HA ASN A 51 -14.023 3.638 8.088 1.00 43.30 H new ATOM 0 HB2 ASN A 51 -14.939 1.279 9.782 1.00 1.00 H new ATOM 0 HB3 ASN A 51 -13.734 2.437 10.308 1.00 1.00 H new ATOM 0 HD21 ASN A 51 -16.447 4.121 11.877 1.00 41.21 H new ATOM 0 HD22 ASN A 51 -15.026 3.093 12.094 1.00 41.21 H new ATOM 886 N ILE A 52 -12.460 2.053 6.592 1.00 1.03 N ATOM 887 CA ILE A 52 -11.274 1.392 6.027 1.00 75.32 C ATOM 888 C ILE A 52 -10.228 2.447 5.650 1.00 42.43 C ATOM 889 O ILE A 52 -10.572 3.580 5.273 1.00 74.13 O ATOM 890 CB ILE A 52 -11.661 0.524 4.768 1.00 25.53 C ATOM 891 CG1 ILE A 52 -10.526 -0.470 4.380 1.00 62.44 C ATOM 892 CG2 ILE A 52 -12.036 1.417 3.559 1.00 42.32 C ATOM 893 CD1 ILE A 52 -10.934 -1.501 3.341 1.00 3.03 C ATOM 0 H ILE A 52 -12.906 2.707 5.949 1.00 1.03 H new ATOM 0 HA ILE A 52 -10.854 0.723 6.778 1.00 75.32 H new ATOM 0 HB ILE A 52 -12.538 -0.061 5.045 1.00 25.53 H new ATOM 0 HG12 ILE A 52 -9.676 0.096 4.000 1.00 62.44 H new ATOM 0 HG13 ILE A 52 -10.189 -0.988 5.278 1.00 62.44 H new ATOM 0 HG21 ILE A 52 -12.297 0.787 2.709 1.00 42.32 H new ATOM 0 HG22 ILE A 52 -12.888 2.045 3.821 1.00 42.32 H new ATOM 0 HG23 ILE A 52 -11.187 2.048 3.296 1.00 42.32 H new ATOM 0 HD11 ILE A 52 -10.089 -2.155 3.126 1.00 3.03 H new ATOM 0 HD12 ILE A 52 -11.764 -2.095 3.724 1.00 3.03 H new ATOM 0 HD13 ILE A 52 -11.243 -0.994 2.427 1.00 3.03 H new ATOM 905 N LYS A 53 -8.954 2.077 5.788 1.00 24.32 N ATOM 906 CA LYS A 53 -7.819 2.885 5.351 1.00 41.44 C ATOM 907 C LYS A 53 -6.810 1.951 4.696 1.00 41.53 C ATOM 908 O LYS A 53 -6.563 0.841 5.188 1.00 53.43 O ATOM 909 CB LYS A 53 -7.189 3.672 6.532 1.00 20.25 C ATOM 910 CG LYS A 53 -8.134 4.732 7.138 1.00 15.25 C ATOM 911 CD LYS A 53 -7.499 5.538 8.286 1.00 13.11 C ATOM 912 CE LYS A 53 -8.466 6.590 8.853 1.00 43.31 C ATOM 913 NZ LYS A 53 -8.792 7.641 7.860 1.00 5.23 N ATOM 0 H LYS A 53 -8.679 1.192 6.214 1.00 24.32 H new ATOM 0 HA LYS A 53 -8.150 3.636 4.634 1.00 41.44 H new ATOM 0 HB2 LYS A 53 -6.896 2.969 7.312 1.00 20.25 H new ATOM 0 HB3 LYS A 53 -6.279 4.163 6.187 1.00 20.25 H new ATOM 0 HG2 LYS A 53 -8.447 5.419 6.352 1.00 15.25 H new ATOM 0 HG3 LYS A 53 -9.033 4.238 7.506 1.00 15.25 H new ATOM 0 HD2 LYS A 53 -7.195 4.858 9.082 1.00 13.11 H new ATOM 0 HD3 LYS A 53 -6.596 6.032 7.927 1.00 13.11 H new ATOM 0 HE2 LYS A 53 -9.384 6.100 9.177 1.00 43.31 H new ATOM 0 HE3 LYS A 53 -8.023 7.051 9.736 1.00 43.31 H new ATOM 0 HZ1 LYS A 53 -8.452 8.561 8.204 1.00 5.23 H new ATOM 0 HZ2 LYS A 53 -8.331 7.418 6.955 1.00 5.23 H new ATOM 0 HZ3 LYS A 53 -9.822 7.682 7.723 1.00 5.23 H new ATOM 927 N VAL A 54 -6.290 2.383 3.545 1.00 10.51 N ATOM 928 CA VAL A 54 -5.287 1.639 2.769 1.00 32.45 C ATOM 929 C VAL A 54 -4.015 2.494 2.621 1.00 24.13 C ATOM 930 O VAL A 54 -4.099 3.684 2.349 1.00 72.44 O ATOM 931 CB VAL A 54 -5.854 1.247 1.348 1.00 31.51 C ATOM 932 CG1 VAL A 54 -4.843 0.400 0.550 1.00 25.24 C ATOM 933 CG2 VAL A 54 -7.222 0.526 1.474 1.00 32.31 C ATOM 0 H VAL A 54 -6.555 3.270 3.118 1.00 10.51 H new ATOM 0 HA VAL A 54 -5.043 0.718 3.299 1.00 32.45 H new ATOM 0 HB VAL A 54 -6.014 2.170 0.790 1.00 31.51 H new ATOM 0 HG11 VAL A 54 -5.266 0.148 -0.422 1.00 25.24 H new ATOM 0 HG12 VAL A 54 -3.923 0.968 0.409 1.00 25.24 H new ATOM 0 HG13 VAL A 54 -4.623 -0.516 1.098 1.00 25.24 H new ATOM 0 HG21 VAL A 54 -7.590 0.267 0.481 1.00 32.31 H new ATOM 0 HG22 VAL A 54 -7.102 -0.382 2.064 1.00 32.31 H new ATOM 0 HG23 VAL A 54 -7.937 1.186 1.965 1.00 32.31 H new ATOM 943 N LEU A 55 -2.847 1.877 2.833 1.00 14.12 N ATOM 944 CA LEU A 55 -1.541 2.528 2.681 1.00 33.44 C ATOM 945 C LEU A 55 -0.812 1.899 1.492 1.00 60.33 C ATOM 946 O LEU A 55 -0.432 0.731 1.555 1.00 40.25 O ATOM 947 CB LEU A 55 -0.697 2.340 3.963 1.00 44.31 C ATOM 948 CG LEU A 55 0.711 3.017 3.950 1.00 71.34 C ATOM 949 CD1 LEU A 55 0.622 4.554 4.060 1.00 74.35 C ATOM 950 CD2 LEU A 55 1.621 2.411 5.027 1.00 42.32 C ATOM 0 H LEU A 55 -2.781 0.900 3.118 1.00 14.12 H new ATOM 0 HA LEU A 55 -1.685 3.595 2.511 1.00 33.44 H new ATOM 0 HB2 LEU A 55 -1.261 2.733 4.809 1.00 44.31 H new ATOM 0 HB3 LEU A 55 -0.565 1.272 4.136 1.00 44.31 H new ATOM 0 HG LEU A 55 1.165 2.809 2.981 1.00 71.34 H new ATOM 0 HD11 LEU A 55 1.626 4.978 4.047 1.00 74.35 H new ATOM 0 HD12 LEU A 55 0.051 4.947 3.219 1.00 74.35 H new ATOM 0 HD13 LEU A 55 0.126 4.824 4.992 1.00 74.35 H new ATOM 0 HD21 LEU A 55 2.595 2.899 4.997 1.00 42.32 H new ATOM 0 HD22 LEU A 55 1.171 2.559 6.009 1.00 42.32 H new ATOM 0 HD23 LEU A 55 1.744 1.344 4.841 1.00 42.32 H new ATOM 962 N ILE A 56 -0.616 2.667 0.417 1.00 54.44 N ATOM 963 CA ILE A 56 0.024 2.165 -0.811 1.00 10.22 C ATOM 964 C ILE A 56 1.449 2.742 -0.919 1.00 0.42 C ATOM 965 O ILE A 56 1.615 3.950 -1.123 1.00 64.44 O ATOM 966 CB ILE A 56 -0.823 2.530 -2.094 1.00 2.12 C ATOM 967 CG1 ILE A 56 -2.313 2.081 -1.912 1.00 72.31 C ATOM 968 CG2 ILE A 56 -0.193 1.883 -3.356 1.00 55.52 C ATOM 969 CD1 ILE A 56 -3.259 2.471 -3.033 1.00 73.32 C ATOM 0 H ILE A 56 -0.893 3.648 0.369 1.00 54.44 H new ATOM 0 HA ILE A 56 0.077 1.078 -0.755 1.00 10.22 H new ATOM 0 HB ILE A 56 -0.813 3.612 -2.227 1.00 2.12 H new ATOM 0 HG12 ILE A 56 -2.336 0.997 -1.803 1.00 72.31 H new ATOM 0 HG13 ILE A 56 -2.689 2.503 -0.980 1.00 72.31 H new ATOM 0 HG21 ILE A 56 -0.786 2.142 -4.233 1.00 55.52 H new ATOM 0 HG22 ILE A 56 0.825 2.252 -3.485 1.00 55.52 H new ATOM 0 HG23 ILE A 56 -0.174 0.800 -3.238 1.00 55.52 H new ATOM 0 HD11 ILE A 56 -4.262 2.111 -2.804 1.00 73.32 H new ATOM 0 HD12 ILE A 56 -3.277 3.556 -3.133 1.00 73.32 H new ATOM 0 HD13 ILE A 56 -2.918 2.026 -3.968 1.00 73.32 H new ATOM 981 N LEU A 57 2.472 1.869 -0.772 1.00 33.12 N ATOM 982 CA LEU A 57 3.893 2.263 -0.838 1.00 1.22 C ATOM 983 C LEU A 57 4.387 1.970 -2.246 1.00 24.11 C ATOM 984 O LEU A 57 4.478 0.806 -2.635 1.00 33.42 O ATOM 985 CB LEU A 57 4.783 1.493 0.193 1.00 0.24 C ATOM 986 CG LEU A 57 4.457 1.680 1.713 1.00 24.20 C ATOM 987 CD1 LEU A 57 4.298 3.169 2.079 1.00 21.32 C ATOM 988 CD2 LEU A 57 3.236 0.835 2.143 1.00 22.14 C ATOM 0 H LEU A 57 2.333 0.873 -0.604 1.00 33.12 H new ATOM 0 HA LEU A 57 3.970 3.322 -0.591 1.00 1.22 H new ATOM 0 HB2 LEU A 57 4.719 0.429 -0.036 1.00 0.24 H new ATOM 0 HB3 LEU A 57 5.819 1.792 0.032 1.00 0.24 H new ATOM 0 HG LEU A 57 5.310 1.307 2.280 1.00 24.20 H new ATOM 0 HD11 LEU A 57 4.072 3.260 3.141 1.00 21.32 H new ATOM 0 HD12 LEU A 57 5.224 3.699 1.858 1.00 21.32 H new ATOM 0 HD13 LEU A 57 3.485 3.602 1.497 1.00 21.32 H new ATOM 0 HD21 LEU A 57 3.041 0.991 3.204 1.00 22.14 H new ATOM 0 HD22 LEU A 57 2.363 1.137 1.565 1.00 22.14 H new ATOM 0 HD23 LEU A 57 3.442 -0.220 1.964 1.00 22.14 H new ATOM 1000 N VAL A 58 4.711 3.016 -2.996 1.00 62.33 N ATOM 1001 CA VAL A 58 5.091 2.898 -4.408 1.00 55.33 C ATOM 1002 C VAL A 58 6.576 3.241 -4.580 1.00 65.12 C ATOM 1003 O VAL A 58 7.077 4.180 -3.967 1.00 25.11 O ATOM 1004 CB VAL A 58 4.186 3.825 -5.300 1.00 20.44 C ATOM 1005 CG1 VAL A 58 2.696 3.444 -5.157 1.00 32.23 C ATOM 1006 CG2 VAL A 58 4.387 5.315 -4.972 1.00 1.21 C ATOM 0 H VAL A 58 4.719 3.974 -2.646 1.00 62.33 H new ATOM 0 HA VAL A 58 4.937 1.869 -4.734 1.00 55.33 H new ATOM 0 HB VAL A 58 4.493 3.668 -6.334 1.00 20.44 H new ATOM 0 HG11 VAL A 58 2.091 4.099 -5.784 1.00 32.23 H new ATOM 0 HG12 VAL A 58 2.553 2.410 -5.470 1.00 32.23 H new ATOM 0 HG13 VAL A 58 2.391 3.554 -4.116 1.00 32.23 H new ATOM 0 HG21 VAL A 58 3.743 5.918 -5.611 1.00 1.21 H new ATOM 0 HG22 VAL A 58 4.133 5.495 -3.927 1.00 1.21 H new ATOM 0 HG23 VAL A 58 5.428 5.588 -5.145 1.00 1.21 H new ATOM 1016 N SER A 59 7.283 2.465 -5.402 1.00 30.11 N ATOM 1017 CA SER A 59 8.708 2.695 -5.697 1.00 24.22 C ATOM 1018 C SER A 59 8.861 3.591 -6.942 1.00 62.32 C ATOM 1019 O SER A 59 9.963 4.034 -7.268 1.00 23.32 O ATOM 1020 CB SER A 59 9.421 1.337 -5.887 1.00 22.21 C ATOM 1021 OG SER A 59 10.830 1.481 -5.965 1.00 52.53 O ATOM 0 H SER A 59 6.889 1.658 -5.885 1.00 30.11 H new ATOM 0 HA SER A 59 9.174 3.215 -4.860 1.00 24.22 H new ATOM 0 HB2 SER A 59 9.170 0.677 -5.057 1.00 22.21 H new ATOM 0 HB3 SER A 59 9.055 0.860 -6.796 1.00 22.21 H new ATOM 0 HG SER A 59 11.048 2.307 -6.444 1.00 52.53 H new ATOM 1027 N ASN A 60 7.730 3.867 -7.619 1.00 2.22 N ATOM 1028 CA ASN A 60 7.688 4.614 -8.889 1.00 71.44 C ATOM 1029 C ASN A 60 6.677 5.768 -8.774 1.00 23.05 C ATOM 1030 O ASN A 60 5.578 5.578 -8.239 1.00 22.45 O ATOM 1031 CB ASN A 60 7.284 3.650 -10.034 1.00 54.43 C ATOM 1032 CG ASN A 60 8.318 2.550 -10.302 1.00 1.55 C ATOM 1033 OD1 ASN A 60 9.525 2.755 -10.166 1.00 70.13 O ATOM 1034 ND2 ASN A 60 7.856 1.363 -10.653 1.00 14.41 N ATOM 0 H ASN A 60 6.809 3.573 -7.294 1.00 2.22 H new ATOM 0 HA ASN A 60 8.671 5.032 -9.108 1.00 71.44 H new ATOM 0 HB2 ASN A 60 6.328 3.187 -9.788 1.00 54.43 H new ATOM 0 HB3 ASN A 60 7.133 4.226 -10.947 1.00 54.43 H new ATOM 0 HD21 ASN A 60 8.503 0.592 -10.818 1.00 14.41 H new ATOM 0 HD22 ASN A 60 6.852 1.218 -10.759 1.00 14.41 H new ATOM 1041 N ASP A 61 7.067 6.964 -9.266 1.00 4.30 N ATOM 1042 CA ASP A 61 6.226 8.184 -9.210 1.00 54.44 C ATOM 1043 C ASP A 61 4.964 8.082 -10.092 1.00 24.15 C ATOM 1044 O ASP A 61 3.968 8.755 -9.821 1.00 72.13 O ATOM 1045 CB ASP A 61 7.047 9.442 -9.597 1.00 72.10 C ATOM 1046 CG ASP A 61 7.508 9.449 -11.065 1.00 50.13 C ATOM 1047 OD1 ASP A 61 8.505 8.767 -11.384 1.00 65.25 O ATOM 1048 OD2 ASP A 61 6.878 10.133 -11.906 1.00 63.12 O ATOM 0 H ASP A 61 7.972 7.113 -9.713 1.00 4.30 H new ATOM 0 HA ASP A 61 5.891 8.278 -8.177 1.00 54.44 H new ATOM 0 HB2 ASP A 61 6.444 10.331 -9.410 1.00 72.10 H new ATOM 0 HB3 ASP A 61 7.922 9.508 -8.950 1.00 72.10 H new ATOM 1053 N GLU A 62 5.013 7.256 -11.154 1.00 43.44 N ATOM 1054 CA GLU A 62 3.831 7.000 -12.009 1.00 13.41 C ATOM 1055 C GLU A 62 2.809 6.162 -11.223 1.00 2.30 C ATOM 1056 O GLU A 62 1.606 6.398 -11.306 1.00 72.32 O ATOM 1057 CB GLU A 62 4.231 6.293 -13.339 1.00 72.53 C ATOM 1058 CG GLU A 62 3.064 6.121 -14.341 1.00 2.42 C ATOM 1059 CD GLU A 62 3.486 5.503 -15.687 1.00 71.24 C ATOM 1060 OE1 GLU A 62 3.703 4.276 -15.743 1.00 50.05 O ATOM 1061 OE2 GLU A 62 3.594 6.237 -16.696 1.00 74.32 O ATOM 0 H GLU A 62 5.853 6.755 -11.442 1.00 43.44 H new ATOM 0 HA GLU A 62 3.380 7.954 -12.281 1.00 13.41 H new ATOM 0 HB2 GLU A 62 5.025 6.866 -13.818 1.00 72.53 H new ATOM 0 HB3 GLU A 62 4.643 5.311 -13.106 1.00 72.53 H new ATOM 0 HG2 GLU A 62 2.298 5.492 -13.887 1.00 2.42 H new ATOM 0 HG3 GLU A 62 2.609 7.094 -14.525 1.00 2.42 H new ATOM 1068 N GLU A 63 3.327 5.218 -10.419 1.00 72.23 N ATOM 1069 CA GLU A 63 2.505 4.378 -9.531 1.00 13.40 C ATOM 1070 C GLU A 63 1.913 5.191 -8.372 1.00 23.03 C ATOM 1071 O GLU A 63 0.857 4.841 -7.852 1.00 72.44 O ATOM 1072 CB GLU A 63 3.317 3.173 -9.009 1.00 35.35 C ATOM 1073 CG GLU A 63 3.773 2.203 -10.113 1.00 32.14 C ATOM 1074 CD GLU A 63 2.606 1.675 -10.974 1.00 32.11 C ATOM 1075 OE1 GLU A 63 1.930 0.712 -10.562 1.00 3.25 O ATOM 1076 OE2 GLU A 63 2.381 2.216 -12.075 1.00 24.01 O ATOM 0 H GLU A 63 4.325 5.016 -10.366 1.00 72.23 H new ATOM 0 HA GLU A 63 1.670 3.996 -10.118 1.00 13.40 H new ATOM 0 HB2 GLU A 63 4.194 3.542 -8.478 1.00 35.35 H new ATOM 0 HB3 GLU A 63 2.713 2.626 -8.285 1.00 35.35 H new ATOM 0 HG2 GLU A 63 4.493 2.708 -10.757 1.00 32.14 H new ATOM 0 HG3 GLU A 63 4.291 1.359 -9.656 1.00 32.14 H new ATOM 1083 N LEU A 64 2.632 6.253 -7.951 1.00 42.12 N ATOM 1084 CA LEU A 64 2.110 7.257 -6.999 1.00 10.31 C ATOM 1085 C LEU A 64 0.820 7.876 -7.554 1.00 12.24 C ATOM 1086 O LEU A 64 -0.214 7.901 -6.873 1.00 43.41 O ATOM 1087 CB LEU A 64 3.179 8.363 -6.740 1.00 41.42 C ATOM 1088 CG LEU A 64 2.802 9.493 -5.724 1.00 32.33 C ATOM 1089 CD1 LEU A 64 2.597 8.938 -4.300 1.00 32.14 C ATOM 1090 CD2 LEU A 64 3.851 10.629 -5.733 1.00 54.31 C ATOM 0 H LEU A 64 3.586 6.438 -8.260 1.00 42.12 H new ATOM 0 HA LEU A 64 1.887 6.767 -6.051 1.00 10.31 H new ATOM 0 HB2 LEU A 64 4.089 7.878 -6.385 1.00 41.42 H new ATOM 0 HB3 LEU A 64 3.419 8.832 -7.694 1.00 41.42 H new ATOM 0 HG LEU A 64 1.850 9.913 -6.049 1.00 32.33 H new ATOM 0 HD11 LEU A 64 2.337 9.754 -3.626 1.00 32.14 H new ATOM 0 HD12 LEU A 64 1.792 8.203 -4.308 1.00 32.14 H new ATOM 0 HD13 LEU A 64 3.517 8.464 -3.958 1.00 32.14 H new ATOM 0 HD21 LEU A 64 3.561 11.398 -5.017 1.00 54.31 H new ATOM 0 HD22 LEU A 64 4.826 10.226 -5.458 1.00 54.31 H new ATOM 0 HD23 LEU A 64 3.907 11.065 -6.731 1.00 54.31 H new ATOM 1102 N ASP A 65 0.893 8.315 -8.834 1.00 64.32 N ATOM 1103 CA ASP A 65 -0.229 8.954 -9.533 1.00 23.32 C ATOM 1104 C ASP A 65 -1.391 7.966 -9.706 1.00 53.44 C ATOM 1105 O ASP A 65 -2.529 8.293 -9.377 1.00 74.30 O ATOM 1106 CB ASP A 65 0.223 9.513 -10.911 1.00 23.01 C ATOM 1107 CG ASP A 65 -0.861 10.398 -11.562 1.00 21.21 C ATOM 1108 OD1 ASP A 65 -1.005 11.573 -11.141 1.00 63.40 O ATOM 1109 OD2 ASP A 65 -1.572 9.934 -12.484 1.00 31.44 O ATOM 0 H ASP A 65 1.735 8.232 -9.404 1.00 64.32 H new ATOM 0 HA ASP A 65 -0.575 9.790 -8.925 1.00 23.32 H new ATOM 0 HB2 ASP A 65 1.137 10.094 -10.784 1.00 23.01 H new ATOM 0 HB3 ASP A 65 0.462 8.684 -11.577 1.00 23.01 H new ATOM 1114 N LYS A 66 -1.061 6.730 -10.145 1.00 23.53 N ATOM 1115 CA LYS A 66 -2.052 5.669 -10.405 1.00 75.54 C ATOM 1116 C LYS A 66 -2.842 5.365 -9.123 1.00 5.42 C ATOM 1117 O LYS A 66 -4.066 5.477 -9.107 1.00 15.13 O ATOM 1118 CB LYS A 66 -1.352 4.367 -10.945 1.00 72.40 C ATOM 1119 CG LYS A 66 -1.361 4.189 -12.483 1.00 14.32 C ATOM 1120 CD LYS A 66 -0.778 5.392 -13.248 1.00 14.34 C ATOM 1121 CE LYS A 66 -0.783 5.192 -14.775 1.00 13.31 C ATOM 1122 NZ LYS A 66 -2.142 4.894 -15.294 1.00 33.34 N ATOM 0 H LYS A 66 -0.099 6.443 -10.328 1.00 23.53 H new ATOM 0 HA LYS A 66 -2.743 6.020 -11.171 1.00 75.54 H new ATOM 0 HB2 LYS A 66 -0.317 4.365 -10.603 1.00 72.40 H new ATOM 0 HB3 LYS A 66 -1.838 3.502 -10.495 1.00 72.40 H new ATOM 0 HG2 LYS A 66 -0.792 3.296 -12.740 1.00 14.32 H new ATOM 0 HG3 LYS A 66 -2.386 4.021 -12.815 1.00 14.32 H new ATOM 0 HD2 LYS A 66 -1.352 6.285 -13.002 1.00 14.34 H new ATOM 0 HD3 LYS A 66 0.244 5.568 -12.913 1.00 14.34 H new ATOM 0 HE2 LYS A 66 -0.399 6.090 -15.259 1.00 13.31 H new ATOM 0 HE3 LYS A 66 -0.109 4.376 -15.036 1.00 13.31 H new ATOM 0 HZ1 LYS A 66 -2.210 3.883 -15.530 1.00 33.34 H new ATOM 0 HZ2 LYS A 66 -2.850 5.128 -14.569 1.00 33.34 H new ATOM 0 HZ3 LYS A 66 -2.320 5.461 -16.147 1.00 33.34 H new ATOM 1136 N ALA A 67 -2.107 5.078 -8.038 1.00 31.13 N ATOM 1137 CA ALA A 67 -2.679 4.646 -6.758 1.00 73.10 C ATOM 1138 C ALA A 67 -3.603 5.714 -6.133 1.00 25.14 C ATOM 1139 O ALA A 67 -4.663 5.365 -5.598 1.00 64.23 O ATOM 1140 CB ALA A 67 -1.549 4.259 -5.801 1.00 60.12 C ATOM 0 H ALA A 67 -1.089 5.141 -8.027 1.00 31.13 H new ATOM 0 HA ALA A 67 -3.308 3.776 -6.945 1.00 73.10 H new ATOM 0 HB1 ALA A 67 -1.972 3.938 -4.849 1.00 60.12 H new ATOM 0 HB2 ALA A 67 -0.969 3.444 -6.234 1.00 60.12 H new ATOM 0 HB3 ALA A 67 -0.900 5.119 -5.637 1.00 60.12 H new ATOM 1146 N LYS A 68 -3.201 7.010 -6.227 1.00 43.32 N ATOM 1147 CA LYS A 68 -4.038 8.140 -5.754 1.00 71.03 C ATOM 1148 C LYS A 68 -5.372 8.198 -6.521 1.00 74.32 C ATOM 1149 O LYS A 68 -6.439 8.102 -5.917 1.00 22.40 O ATOM 1150 CB LYS A 68 -3.315 9.506 -5.923 1.00 30.21 C ATOM 1151 CG LYS A 68 -2.060 9.716 -5.049 1.00 51.32 C ATOM 1152 CD LYS A 68 -1.431 11.117 -5.272 1.00 63.10 C ATOM 1153 CE LYS A 68 -1.098 11.391 -6.753 1.00 72.21 C ATOM 1154 NZ LYS A 68 -0.611 12.781 -6.974 1.00 12.12 N ATOM 0 H LYS A 68 -2.306 7.295 -6.625 1.00 43.32 H new ATOM 0 HA LYS A 68 -4.224 7.963 -4.695 1.00 71.03 H new ATOM 0 HB2 LYS A 68 -3.029 9.617 -6.969 1.00 30.21 H new ATOM 0 HB3 LYS A 68 -4.026 10.302 -5.701 1.00 30.21 H new ATOM 0 HG2 LYS A 68 -2.325 9.600 -3.998 1.00 51.32 H new ATOM 0 HG3 LYS A 68 -1.324 8.946 -5.279 1.00 51.32 H new ATOM 0 HD2 LYS A 68 -2.119 11.881 -4.911 1.00 63.10 H new ATOM 0 HD3 LYS A 68 -0.521 11.201 -4.678 1.00 63.10 H new ATOM 0 HE2 LYS A 68 -0.339 10.685 -7.089 1.00 72.21 H new ATOM 0 HE3 LYS A 68 -1.986 11.218 -7.361 1.00 72.21 H new ATOM 0 HZ1 LYS A 68 -0.400 12.919 -7.983 1.00 12.12 H new ATOM 0 HZ2 LYS A 68 -1.344 13.457 -6.678 1.00 12.12 H new ATOM 0 HZ3 LYS A 68 0.252 12.940 -6.415 1.00 12.12 H new ATOM 1168 N GLU A 69 -5.275 8.310 -7.860 1.00 1.14 N ATOM 1169 CA GLU A 69 -6.438 8.570 -8.736 1.00 42.22 C ATOM 1170 C GLU A 69 -7.468 7.427 -8.639 1.00 2.22 C ATOM 1171 O GLU A 69 -8.674 7.677 -8.497 1.00 43.24 O ATOM 1172 CB GLU A 69 -5.973 8.777 -10.199 1.00 64.54 C ATOM 1173 CG GLU A 69 -4.962 9.931 -10.399 1.00 51.41 C ATOM 1174 CD GLU A 69 -5.490 11.327 -10.010 1.00 1.54 C ATOM 1175 OE1 GLU A 69 -5.386 11.718 -8.823 1.00 52.31 O ATOM 1176 OE2 GLU A 69 -5.989 12.058 -10.901 1.00 1.32 O ATOM 0 H GLU A 69 -4.393 8.223 -8.365 1.00 1.14 H new ATOM 0 HA GLU A 69 -6.926 9.484 -8.398 1.00 42.22 H new ATOM 0 HB2 GLU A 69 -5.522 7.851 -10.557 1.00 64.54 H new ATOM 0 HB3 GLU A 69 -6.848 8.967 -10.821 1.00 64.54 H new ATOM 0 HG2 GLU A 69 -4.069 9.719 -9.811 1.00 51.41 H new ATOM 0 HG3 GLU A 69 -4.658 9.952 -11.445 1.00 51.41 H new ATOM 1183 N LEU A 70 -6.957 6.177 -8.651 1.00 64.11 N ATOM 1184 CA LEU A 70 -7.775 4.960 -8.518 1.00 51.42 C ATOM 1185 C LEU A 70 -8.512 4.957 -7.160 1.00 1.45 C ATOM 1186 O LEU A 70 -9.724 4.759 -7.122 1.00 22.54 O ATOM 1187 CB LEU A 70 -6.893 3.681 -8.685 1.00 0.43 C ATOM 1188 CG LEU A 70 -6.215 3.502 -10.087 1.00 52.42 C ATOM 1189 CD1 LEU A 70 -5.298 2.256 -10.128 1.00 4.33 C ATOM 1190 CD2 LEU A 70 -7.269 3.466 -11.209 1.00 20.14 C ATOM 0 H LEU A 70 -5.960 5.987 -8.754 1.00 64.11 H new ATOM 0 HA LEU A 70 -8.523 4.953 -9.311 1.00 51.42 H new ATOM 0 HB2 LEU A 70 -6.113 3.698 -7.924 1.00 0.43 H new ATOM 0 HB3 LEU A 70 -7.512 2.806 -8.487 1.00 0.43 H new ATOM 0 HG LEU A 70 -5.578 4.370 -10.256 1.00 52.42 H new ATOM 0 HD11 LEU A 70 -4.848 2.168 -11.117 1.00 4.33 H new ATOM 0 HD12 LEU A 70 -4.513 2.358 -9.379 1.00 4.33 H new ATOM 0 HD13 LEU A 70 -5.887 1.364 -9.917 1.00 4.33 H new ATOM 0 HD21 LEU A 70 -6.772 3.341 -12.171 1.00 20.14 H new ATOM 0 HD22 LEU A 70 -7.950 2.632 -11.041 1.00 20.14 H new ATOM 0 HD23 LEU A 70 -7.832 4.400 -11.210 1.00 20.14 H new ATOM 1202 N ALA A 71 -7.764 5.257 -6.071 1.00 2.01 N ATOM 1203 CA ALA A 71 -8.291 5.318 -4.683 1.00 15.11 C ATOM 1204 C ALA A 71 -9.496 6.269 -4.541 1.00 35.44 C ATOM 1205 O ALA A 71 -10.483 5.946 -3.859 1.00 43.31 O ATOM 1206 CB ALA A 71 -7.173 5.764 -3.735 1.00 31.41 C ATOM 0 H ALA A 71 -6.767 5.466 -6.130 1.00 2.01 H new ATOM 0 HA ALA A 71 -8.640 4.318 -4.425 1.00 15.11 H new ATOM 0 HB1 ALA A 71 -7.557 5.810 -2.716 1.00 31.41 H new ATOM 0 HB2 ALA A 71 -6.350 5.050 -3.781 1.00 31.41 H new ATOM 0 HB3 ALA A 71 -6.815 6.750 -4.033 1.00 31.41 H new ATOM 1212 N GLN A 72 -9.388 7.436 -5.200 1.00 2.42 N ATOM 1213 CA GLN A 72 -10.439 8.473 -5.197 1.00 61.22 C ATOM 1214 C GLN A 72 -11.680 7.971 -5.954 1.00 32.40 C ATOM 1215 O GLN A 72 -12.810 8.181 -5.510 1.00 64.42 O ATOM 1216 CB GLN A 72 -9.902 9.777 -5.844 1.00 35.22 C ATOM 1217 CG GLN A 72 -8.589 10.295 -5.216 1.00 72.41 C ATOM 1218 CD GLN A 72 -7.925 11.410 -6.026 1.00 72.55 C ATOM 1219 OE1 GLN A 72 -8.599 12.249 -6.622 1.00 51.14 O ATOM 1220 NE2 GLN A 72 -6.601 11.402 -6.093 1.00 64.32 N ATOM 0 H GLN A 72 -8.568 7.689 -5.752 1.00 2.42 H new ATOM 0 HA GLN A 72 -10.723 8.686 -4.166 1.00 61.22 H new ATOM 0 HB2 GLN A 72 -9.740 9.603 -6.908 1.00 35.22 H new ATOM 0 HB3 GLN A 72 -10.664 10.552 -5.760 1.00 35.22 H new ATOM 0 HG2 GLN A 72 -8.796 10.661 -4.210 1.00 72.41 H new ATOM 0 HG3 GLN A 72 -7.891 9.464 -5.116 1.00 72.41 H new ATOM 0 HE21 GLN A 72 -6.069 10.693 -5.588 1.00 64.32 H new ATOM 0 HE22 GLN A 72 -6.114 12.104 -6.650 1.00 64.32 H new ATOM 1229 N LYS A 73 -11.437 7.270 -7.084 1.00 5.23 N ATOM 1230 CA LYS A 73 -12.511 6.688 -7.924 1.00 70.20 C ATOM 1231 C LYS A 73 -13.193 5.488 -7.229 1.00 22.15 C ATOM 1232 O LYS A 73 -14.292 5.090 -7.617 1.00 0.14 O ATOM 1233 CB LYS A 73 -11.961 6.276 -9.322 1.00 22.20 C ATOM 1234 CG LYS A 73 -11.383 7.447 -10.163 1.00 31.34 C ATOM 1235 CD LYS A 73 -12.385 8.606 -10.452 1.00 44.03 C ATOM 1236 CE LYS A 73 -13.510 8.247 -11.456 1.00 23.24 C ATOM 1237 NZ LYS A 73 -14.498 7.264 -10.915 1.00 31.23 N ATOM 0 H LYS A 73 -10.497 7.092 -7.439 1.00 5.23 H new ATOM 0 HA LYS A 73 -13.268 7.459 -8.065 1.00 70.20 H new ATOM 0 HB2 LYS A 73 -11.182 5.526 -9.184 1.00 22.20 H new ATOM 0 HB3 LYS A 73 -12.763 5.802 -9.888 1.00 22.20 H new ATOM 0 HG2 LYS A 73 -10.517 7.856 -9.642 1.00 31.34 H new ATOM 0 HG3 LYS A 73 -11.025 7.050 -11.113 1.00 31.34 H new ATOM 0 HD2 LYS A 73 -12.840 8.919 -9.512 1.00 44.03 H new ATOM 0 HD3 LYS A 73 -11.830 9.461 -10.838 1.00 44.03 H new ATOM 0 HE2 LYS A 73 -14.035 9.158 -11.743 1.00 23.24 H new ATOM 0 HE3 LYS A 73 -13.062 7.839 -12.362 1.00 23.24 H new ATOM 0 HZ1 LYS A 73 -15.458 7.544 -11.200 1.00 31.23 H new ATOM 0 HZ2 LYS A 73 -14.287 6.317 -11.291 1.00 31.23 H new ATOM 0 HZ3 LYS A 73 -14.437 7.246 -9.877 1.00 31.23 H new ATOM 1251 N MET A 74 -12.525 4.922 -6.208 1.00 24.42 N ATOM 1252 CA MET A 74 -13.063 3.817 -5.382 1.00 5.22 C ATOM 1253 C MET A 74 -13.798 4.342 -4.132 1.00 4.01 C ATOM 1254 O MET A 74 -14.326 3.540 -3.362 1.00 64.35 O ATOM 1255 CB MET A 74 -11.912 2.879 -4.931 1.00 63.35 C ATOM 1256 CG MET A 74 -11.140 2.203 -6.063 1.00 43.33 C ATOM 1257 SD MET A 74 -12.102 0.997 -6.986 1.00 42.44 S ATOM 1258 CE MET A 74 -10.810 0.197 -7.940 1.00 22.15 C ATOM 0 H MET A 74 -11.590 5.218 -5.928 1.00 24.42 H new ATOM 0 HA MET A 74 -13.776 3.270 -5.999 1.00 5.22 H new ATOM 0 HB2 MET A 74 -11.210 3.456 -4.328 1.00 63.35 H new ATOM 0 HB3 MET A 74 -12.327 2.106 -4.284 1.00 63.35 H new ATOM 0 HG2 MET A 74 -10.780 2.968 -6.751 1.00 43.33 H new ATOM 0 HG3 MET A 74 -10.262 1.710 -5.646 1.00 43.33 H new ATOM 0 HE1 MET A 74 -11.050 0.258 -9.001 1.00 22.15 H new ATOM 0 HE2 MET A 74 -9.859 0.695 -7.754 1.00 22.15 H new ATOM 0 HE3 MET A 74 -10.735 -0.850 -7.645 1.00 22.15 H new ATOM 1268 N GLU A 75 -13.808 5.682 -3.938 1.00 13.32 N ATOM 1269 CA GLU A 75 -14.389 6.359 -2.738 1.00 65.12 C ATOM 1270 C GLU A 75 -13.735 5.908 -1.396 1.00 74.32 C ATOM 1271 O GLU A 75 -14.267 6.216 -0.322 1.00 75.30 O ATOM 1272 CB GLU A 75 -15.942 6.155 -2.669 1.00 11.31 C ATOM 1273 CG GLU A 75 -16.716 6.529 -3.951 1.00 74.44 C ATOM 1274 CD GLU A 75 -16.481 7.983 -4.420 1.00 5.35 C ATOM 1275 OE1 GLU A 75 -17.022 8.920 -3.792 1.00 75.03 O ATOM 1276 OE2 GLU A 75 -15.765 8.190 -5.423 1.00 43.55 O ATOM 0 H GLU A 75 -13.411 6.336 -4.612 1.00 13.32 H new ATOM 0 HA GLU A 75 -14.167 7.419 -2.862 1.00 65.12 H new ATOM 0 HB2 GLU A 75 -16.144 5.110 -2.435 1.00 11.31 H new ATOM 0 HB3 GLU A 75 -16.333 6.748 -1.843 1.00 11.31 H new ATOM 0 HG2 GLU A 75 -16.426 5.848 -4.751 1.00 74.44 H new ATOM 0 HG3 GLU A 75 -17.782 6.381 -3.777 1.00 74.44 H new ATOM 1283 N ILE A 76 -12.573 5.221 -1.462 1.00 22.11 N ATOM 1284 CA ILE A 76 -11.898 4.645 -0.276 1.00 21.44 C ATOM 1285 C ILE A 76 -10.886 5.657 0.298 1.00 15.43 C ATOM 1286 O ILE A 76 -10.185 6.337 -0.467 1.00 1.42 O ATOM 1287 CB ILE A 76 -11.161 3.293 -0.646 1.00 52.21 C ATOM 1288 CG1 ILE A 76 -12.174 2.254 -1.215 1.00 72.03 C ATOM 1289 CG2 ILE A 76 -10.406 2.697 0.571 1.00 32.25 C ATOM 1290 CD1 ILE A 76 -11.543 0.980 -1.742 1.00 35.04 C ATOM 0 H ILE A 76 -12.077 5.050 -2.337 1.00 22.11 H new ATOM 0 HA ILE A 76 -12.655 4.427 0.477 1.00 21.44 H new ATOM 0 HB ILE A 76 -10.422 3.525 -1.413 1.00 52.21 H new ATOM 0 HG12 ILE A 76 -12.886 1.994 -0.432 1.00 72.03 H new ATOM 0 HG13 ILE A 76 -12.742 2.722 -2.019 1.00 72.03 H new ATOM 0 HG21 ILE A 76 -9.914 1.770 0.276 1.00 32.25 H new ATOM 0 HG22 ILE A 76 -9.659 3.410 0.920 1.00 32.25 H new ATOM 0 HG23 ILE A 76 -11.114 2.492 1.374 1.00 32.25 H new ATOM 0 HD11 ILE A 76 -12.322 0.316 -2.117 1.00 35.04 H new ATOM 0 HD12 ILE A 76 -10.853 1.223 -2.550 1.00 35.04 H new ATOM 0 HD13 ILE A 76 -11.000 0.483 -0.938 1.00 35.04 H new ATOM 1302 N ASP A 77 -10.824 5.764 1.645 1.00 42.33 N ATOM 1303 CA ASP A 77 -9.830 6.609 2.335 1.00 54.05 C ATOM 1304 C ASP A 77 -8.446 5.931 2.248 1.00 41.31 C ATOM 1305 O ASP A 77 -8.226 4.883 2.856 1.00 44.52 O ATOM 1306 CB ASP A 77 -10.225 6.836 3.817 1.00 4.14 C ATOM 1307 CG ASP A 77 -9.306 7.855 4.531 1.00 10.33 C ATOM 1308 OD1 ASP A 77 -8.277 7.459 5.117 1.00 63.21 O ATOM 1309 OD2 ASP A 77 -9.615 9.070 4.510 1.00 71.44 O ATOM 0 H ASP A 77 -11.456 5.271 2.276 1.00 42.33 H new ATOM 0 HA ASP A 77 -9.794 7.584 1.848 1.00 54.05 H new ATOM 0 HB2 ASP A 77 -11.256 7.187 3.864 1.00 4.14 H new ATOM 0 HB3 ASP A 77 -10.188 5.885 4.348 1.00 4.14 H new ATOM 1314 N VAL A 78 -7.539 6.509 1.447 1.00 42.20 N ATOM 1315 CA VAL A 78 -6.208 5.932 1.176 1.00 61.21 C ATOM 1316 C VAL A 78 -5.102 6.990 1.368 1.00 45.12 C ATOM 1317 O VAL A 78 -5.287 8.164 1.034 1.00 32.05 O ATOM 1318 CB VAL A 78 -6.145 5.348 -0.292 1.00 2.11 C ATOM 1319 CG1 VAL A 78 -4.742 4.815 -0.652 1.00 54.33 C ATOM 1320 CG2 VAL A 78 -7.215 4.247 -0.508 1.00 64.11 C ATOM 0 H VAL A 78 -7.706 7.393 0.966 1.00 42.20 H new ATOM 0 HA VAL A 78 -6.042 5.122 1.886 1.00 61.21 H new ATOM 0 HB VAL A 78 -6.362 6.178 -0.964 1.00 2.11 H new ATOM 0 HG11 VAL A 78 -4.751 4.425 -1.670 1.00 54.33 H new ATOM 0 HG12 VAL A 78 -4.016 5.625 -0.580 1.00 54.33 H new ATOM 0 HG13 VAL A 78 -4.467 4.018 0.039 1.00 54.33 H new ATOM 0 HG21 VAL A 78 -7.145 3.866 -1.527 1.00 64.11 H new ATOM 0 HG22 VAL A 78 -7.046 3.432 0.196 1.00 64.11 H new ATOM 0 HG23 VAL A 78 -8.207 4.667 -0.345 1.00 64.11 H new ATOM 1330 N ARG A 79 -3.966 6.546 1.935 1.00 71.41 N ATOM 1331 CA ARG A 79 -2.719 7.316 2.024 1.00 22.13 C ATOM 1332 C ARG A 79 -1.690 6.646 1.094 1.00 63.05 C ATOM 1333 O ARG A 79 -1.284 5.508 1.323 1.00 31.40 O ATOM 1334 CB ARG A 79 -2.192 7.389 3.499 1.00 41.20 C ATOM 1335 CG ARG A 79 -2.717 8.602 4.318 1.00 32.31 C ATOM 1336 CD ARG A 79 -4.251 8.623 4.507 1.00 53.22 C ATOM 1337 NE ARG A 79 -4.733 9.943 4.973 1.00 60.24 N ATOM 1338 CZ ARG A 79 -5.921 10.489 4.647 1.00 73.13 C ATOM 1339 NH1 ARG A 79 -6.778 9.845 3.855 1.00 52.21 N ATOM 1340 NH2 ARG A 79 -6.244 11.691 5.110 1.00 72.34 N ATOM 0 H ARG A 79 -3.891 5.619 2.353 1.00 71.41 H new ATOM 0 HA ARG A 79 -2.894 8.346 1.712 1.00 22.13 H new ATOM 0 HB2 ARG A 79 -2.471 6.471 4.016 1.00 41.20 H new ATOM 0 HB3 ARG A 79 -1.103 7.425 3.480 1.00 41.20 H new ATOM 0 HG2 ARG A 79 -2.241 8.597 5.299 1.00 32.31 H new ATOM 0 HG3 ARG A 79 -2.411 9.522 3.820 1.00 32.31 H new ATOM 0 HD2 ARG A 79 -4.736 8.372 3.564 1.00 53.22 H new ATOM 0 HD3 ARG A 79 -4.538 7.857 5.227 1.00 53.22 H new ATOM 0 HE ARG A 79 -4.120 10.479 5.587 1.00 60.24 H new ATOM 0 HH11 ARG A 79 -6.539 8.925 3.486 1.00 52.21 H new ATOM 0 HH12 ARG A 79 -7.673 10.272 3.618 1.00 52.21 H new ATOM 0 HH21 ARG A 79 -5.594 12.198 5.710 1.00 72.34 H new ATOM 0 HH22 ARG A 79 -7.142 12.107 4.865 1.00 72.34 H new ATOM 1354 N THR A 80 -1.287 7.358 0.038 1.00 60.31 N ATOM 1355 CA THR A 80 -0.338 6.858 -0.958 1.00 31.44 C ATOM 1356 C THR A 80 1.017 7.555 -0.724 1.00 52.41 C ATOM 1357 O THR A 80 1.131 8.778 -0.883 1.00 20.13 O ATOM 1358 CB THR A 80 -0.855 7.127 -2.410 1.00 12.12 C ATOM 1359 OG1 THR A 80 -2.213 6.649 -2.543 1.00 74.40 O ATOM 1360 CG2 THR A 80 0.031 6.442 -3.465 1.00 52.42 C ATOM 0 H THR A 80 -1.614 8.306 -0.150 1.00 60.31 H new ATOM 0 HA THR A 80 -0.226 5.779 -0.851 1.00 31.44 H new ATOM 0 HB THR A 80 -0.818 8.203 -2.581 1.00 12.12 H new ATOM 0 HG1 THR A 80 -2.533 6.821 -3.453 1.00 74.40 H new ATOM 0 HG21 THR A 80 -0.360 6.652 -4.460 1.00 52.42 H new ATOM 0 HG22 THR A 80 1.049 6.823 -3.388 1.00 52.42 H new ATOM 0 HG23 THR A 80 0.032 5.365 -3.295 1.00 52.42 H new ATOM 1368 N ARG A 81 2.025 6.774 -0.305 1.00 13.15 N ATOM 1369 CA ARG A 81 3.360 7.282 0.062 1.00 11.10 C ATOM 1370 C ARG A 81 4.412 6.670 -0.868 1.00 42.01 C ATOM 1371 O ARG A 81 4.451 5.451 -1.049 1.00 12.33 O ATOM 1372 CB ARG A 81 3.656 6.946 1.554 1.00 71.33 C ATOM 1373 CG ARG A 81 2.682 7.579 2.588 1.00 64.11 C ATOM 1374 CD ARG A 81 2.860 9.102 2.779 1.00 1.43 C ATOM 1375 NE ARG A 81 2.480 9.906 1.598 1.00 14.12 N ATOM 1376 CZ ARG A 81 2.377 11.249 1.571 1.00 24.22 C ATOM 1377 NH1 ARG A 81 2.620 11.976 2.664 1.00 1.33 N ATOM 1378 NH2 ARG A 81 2.062 11.862 0.438 1.00 31.04 N ATOM 0 H ARG A 81 1.937 5.762 -0.210 1.00 13.15 H new ATOM 0 HA ARG A 81 3.392 8.365 -0.053 1.00 11.10 H new ATOM 0 HB2 ARG A 81 3.634 5.863 1.676 1.00 71.33 H new ATOM 0 HB3 ARG A 81 4.669 7.273 1.788 1.00 71.33 H new ATOM 0 HG2 ARG A 81 1.657 7.381 2.273 1.00 64.11 H new ATOM 0 HG3 ARG A 81 2.821 7.085 3.550 1.00 64.11 H new ATOM 0 HD2 ARG A 81 2.262 9.423 3.632 1.00 1.43 H new ATOM 0 HD3 ARG A 81 3.902 9.307 3.025 1.00 1.43 H new ATOM 0 HE ARG A 81 2.280 9.403 0.734 1.00 14.12 H new ATOM 0 HH11 ARG A 81 2.887 11.515 3.534 1.00 1.33 H new ATOM 0 HH12 ARG A 81 2.538 12.992 2.629 1.00 1.33 H new ATOM 0 HH21 ARG A 81 1.899 11.317 -0.408 1.00 31.04 H new ATOM 0 HH22 ARG A 81 1.983 12.879 0.413 1.00 31.04 H new ATOM 1392 N LYS A 82 5.259 7.525 -1.469 1.00 41.33 N ATOM 1393 CA LYS A 82 6.280 7.090 -2.428 1.00 64.32 C ATOM 1394 C LYS A 82 7.617 6.890 -1.709 1.00 51.12 C ATOM 1395 O LYS A 82 8.160 7.826 -1.113 1.00 43.11 O ATOM 1396 CB LYS A 82 6.443 8.110 -3.582 1.00 51.42 C ATOM 1397 CG LYS A 82 7.376 7.611 -4.712 1.00 55.43 C ATOM 1398 CD LYS A 82 7.709 8.706 -5.740 1.00 25.15 C ATOM 1399 CE LYS A 82 8.486 9.870 -5.112 1.00 5.22 C ATOM 1400 NZ LYS A 82 8.861 10.892 -6.123 1.00 63.11 N ATOM 0 H LYS A 82 5.252 8.531 -1.302 1.00 41.33 H new ATOM 0 HA LYS A 82 5.956 6.144 -2.862 1.00 64.32 H new ATOM 0 HB2 LYS A 82 5.462 8.333 -4.002 1.00 51.42 H new ATOM 0 HB3 LYS A 82 6.837 9.043 -3.180 1.00 51.42 H new ATOM 0 HG2 LYS A 82 8.301 7.237 -4.274 1.00 55.43 H new ATOM 0 HG3 LYS A 82 6.904 6.772 -5.223 1.00 55.43 H new ATOM 0 HD2 LYS A 82 8.296 8.275 -6.551 1.00 25.15 H new ATOM 0 HD3 LYS A 82 6.786 9.083 -6.180 1.00 25.15 H new ATOM 0 HE2 LYS A 82 7.880 10.334 -4.334 1.00 5.22 H new ATOM 0 HE3 LYS A 82 9.386 9.488 -4.630 1.00 5.22 H new ATOM 0 HZ1 LYS A 82 9.384 11.662 -5.660 1.00 63.11 H new ATOM 0 HZ2 LYS A 82 9.460 10.455 -6.852 1.00 63.11 H new ATOM 0 HZ3 LYS A 82 8.001 11.275 -6.565 1.00 63.11 H new ATOM 1414 N VAL A 83 8.125 5.659 -1.778 1.00 2.32 N ATOM 1415 CA VAL A 83 9.360 5.231 -1.117 1.00 72.32 C ATOM 1416 C VAL A 83 10.399 4.801 -2.177 1.00 5.20 C ATOM 1417 O VAL A 83 10.056 4.158 -3.171 1.00 35.30 O ATOM 1418 CB VAL A 83 9.037 4.060 -0.115 1.00 3.23 C ATOM 1419 CG1 VAL A 83 8.000 4.531 0.938 1.00 52.34 C ATOM 1420 CG2 VAL A 83 8.538 2.784 -0.850 1.00 2.11 C ATOM 0 H VAL A 83 7.678 4.912 -2.309 1.00 2.32 H new ATOM 0 HA VAL A 83 9.786 6.058 -0.549 1.00 72.32 H new ATOM 0 HB VAL A 83 9.963 3.792 0.393 1.00 3.23 H new ATOM 0 HG11 VAL A 83 7.783 3.714 1.626 1.00 52.34 H new ATOM 0 HG12 VAL A 83 8.405 5.376 1.494 1.00 52.34 H new ATOM 0 HG13 VAL A 83 7.082 4.834 0.434 1.00 52.34 H new ATOM 0 HG21 VAL A 83 8.327 2.002 -0.120 1.00 2.11 H new ATOM 0 HG22 VAL A 83 7.629 3.016 -1.406 1.00 2.11 H new ATOM 0 HG23 VAL A 83 9.307 2.438 -1.541 1.00 2.11 H new ATOM 1430 N THR A 84 11.660 5.211 -1.993 1.00 10.34 N ATOM 1431 CA THR A 84 12.786 4.786 -2.854 1.00 32.54 C ATOM 1432 C THR A 84 13.761 3.901 -2.050 1.00 53.04 C ATOM 1433 O THR A 84 14.629 3.233 -2.623 1.00 2.54 O ATOM 1434 CB THR A 84 13.529 6.028 -3.459 1.00 20.22 C ATOM 1435 OG1 THR A 84 13.932 6.917 -2.407 1.00 71.33 O ATOM 1436 CG2 THR A 84 12.642 6.800 -4.460 1.00 5.15 C ATOM 0 H THR A 84 11.935 5.847 -1.245 1.00 10.34 H new ATOM 0 HA THR A 84 12.387 4.202 -3.683 1.00 32.54 H new ATOM 0 HB THR A 84 14.402 5.655 -3.994 1.00 20.22 H new ATOM 0 HG1 THR A 84 14.397 7.689 -2.792 1.00 71.33 H new ATOM 0 HG21 THR A 84 13.196 7.652 -4.855 1.00 5.15 H new ATOM 0 HG22 THR A 84 12.359 6.140 -5.280 1.00 5.15 H new ATOM 0 HG23 THR A 84 11.744 7.154 -3.953 1.00 5.15 H new ATOM 1444 N SER A 85 13.598 3.911 -0.711 1.00 13.03 N ATOM 1445 CA SER A 85 14.394 3.108 0.227 1.00 42.42 C ATOM 1446 C SER A 85 13.442 2.147 0.991 1.00 1.04 C ATOM 1447 O SER A 85 12.301 2.532 1.293 1.00 41.41 O ATOM 1448 CB SER A 85 15.122 4.039 1.231 1.00 33.24 C ATOM 1449 OG SER A 85 15.752 5.127 0.569 1.00 61.30 O ATOM 0 H SER A 85 12.896 4.489 -0.248 1.00 13.03 H new ATOM 0 HA SER A 85 15.141 2.532 -0.319 1.00 42.42 H new ATOM 0 HB2 SER A 85 14.407 4.420 1.960 1.00 33.24 H new ATOM 0 HB3 SER A 85 15.867 3.468 1.784 1.00 33.24 H new ATOM 0 HG SER A 85 15.090 5.826 0.386 1.00 61.30 H new ATOM 1455 N PRO A 86 13.879 0.877 1.294 1.00 43.53 N ATOM 1456 CA PRO A 86 13.087 -0.081 2.114 1.00 75.25 C ATOM 1457 C PRO A 86 12.659 0.483 3.483 1.00 4.15 C ATOM 1458 O PRO A 86 11.515 0.292 3.896 1.00 55.44 O ATOM 1459 CB PRO A 86 14.041 -1.285 2.279 1.00 22.23 C ATOM 1460 CG PRO A 86 14.937 -1.219 1.083 1.00 41.33 C ATOM 1461 CD PRO A 86 15.145 0.255 0.816 1.00 14.40 C ATOM 0 HA PRO A 86 12.142 -0.330 1.632 1.00 75.25 H new ATOM 0 HB2 PRO A 86 14.610 -1.216 3.206 1.00 22.23 H new ATOM 0 HB3 PRO A 86 13.491 -2.226 2.312 1.00 22.23 H new ATOM 0 HG2 PRO A 86 15.885 -1.721 1.275 1.00 41.33 H new ATOM 0 HG3 PRO A 86 14.483 -1.713 0.224 1.00 41.33 H new ATOM 0 HD2 PRO A 86 16.010 0.642 1.354 1.00 14.40 H new ATOM 0 HD3 PRO A 86 15.314 0.451 -0.243 1.00 14.40 H new ATOM 1469 N ASP A 87 13.576 1.217 4.150 1.00 43.25 N ATOM 1470 CA ASP A 87 13.329 1.761 5.512 1.00 54.14 C ATOM 1471 C ASP A 87 12.227 2.844 5.524 1.00 11.42 C ATOM 1472 O ASP A 87 11.560 3.042 6.552 1.00 44.52 O ATOM 1473 CB ASP A 87 14.634 2.296 6.166 1.00 10.31 C ATOM 1474 CG ASP A 87 15.590 1.178 6.631 1.00 4.14 C ATOM 1475 OD1 ASP A 87 15.143 0.258 7.361 1.00 75.05 O ATOM 1476 OD2 ASP A 87 16.789 1.203 6.265 1.00 40.44 O ATOM 0 H ASP A 87 14.494 1.449 3.772 1.00 43.25 H new ATOM 0 HA ASP A 87 12.969 0.925 6.112 1.00 54.14 H new ATOM 0 HB2 ASP A 87 15.154 2.935 5.452 1.00 10.31 H new ATOM 0 HB3 ASP A 87 14.374 2.920 7.021 1.00 10.31 H new ATOM 1481 N GLU A 88 12.033 3.530 4.380 1.00 2.44 N ATOM 1482 CA GLU A 88 10.920 4.487 4.200 1.00 64.34 C ATOM 1483 C GLU A 88 9.576 3.728 4.213 1.00 73.34 C ATOM 1484 O GLU A 88 8.654 4.102 4.944 1.00 61.11 O ATOM 1485 CB GLU A 88 11.083 5.286 2.873 1.00 73.13 C ATOM 1486 CG GLU A 88 12.345 6.166 2.793 1.00 43.01 C ATOM 1487 CD GLU A 88 12.412 6.994 1.494 1.00 63.24 C ATOM 1488 OE1 GLU A 88 12.964 6.511 0.488 1.00 11.52 O ATOM 1489 OE2 GLU A 88 11.892 8.131 1.466 1.00 52.45 O ATOM 0 H GLU A 88 12.636 3.439 3.562 1.00 2.44 H new ATOM 0 HA GLU A 88 10.935 5.201 5.023 1.00 64.34 H new ATOM 0 HB2 GLU A 88 11.097 4.581 2.042 1.00 73.13 H new ATOM 0 HB3 GLU A 88 10.207 5.920 2.739 1.00 73.13 H new ATOM 0 HG2 GLU A 88 12.368 6.839 3.650 1.00 43.01 H new ATOM 0 HG3 GLU A 88 13.229 5.533 2.861 1.00 43.01 H new ATOM 1496 N ALA A 89 9.527 2.612 3.446 1.00 12.44 N ATOM 1497 CA ALA A 89 8.320 1.764 3.312 1.00 53.44 C ATOM 1498 C ALA A 89 7.926 1.171 4.667 1.00 70.41 C ATOM 1499 O ALA A 89 6.757 1.223 5.063 1.00 21.32 O ATOM 1500 CB ALA A 89 8.555 0.644 2.283 1.00 54.31 C ATOM 0 H ALA A 89 10.323 2.276 2.904 1.00 12.44 H new ATOM 0 HA ALA A 89 7.501 2.390 2.958 1.00 53.44 H new ATOM 0 HB1 ALA A 89 7.657 0.032 2.199 1.00 54.31 H new ATOM 0 HB2 ALA A 89 8.786 1.084 1.313 1.00 54.31 H new ATOM 0 HB3 ALA A 89 9.389 0.021 2.607 1.00 54.31 H new ATOM 1506 N LYS A 90 8.943 0.660 5.377 1.00 4.23 N ATOM 1507 CA LYS A 90 8.803 0.061 6.706 1.00 1.12 C ATOM 1508 C LYS A 90 8.246 1.074 7.719 1.00 13.32 C ATOM 1509 O LYS A 90 7.355 0.733 8.517 1.00 22.45 O ATOM 1510 CB LYS A 90 10.187 -0.427 7.185 1.00 43.20 C ATOM 1511 CG LYS A 90 10.805 -1.587 6.372 1.00 62.42 C ATOM 1512 CD LYS A 90 12.287 -1.833 6.755 1.00 13.53 C ATOM 1513 CE LYS A 90 12.498 -1.995 8.270 1.00 25.15 C ATOM 1514 NZ LYS A 90 13.922 -2.242 8.606 1.00 22.13 N ATOM 0 H LYS A 90 9.903 0.653 5.034 1.00 4.23 H new ATOM 0 HA LYS A 90 8.105 -0.773 6.637 1.00 1.12 H new ATOM 0 HB2 LYS A 90 10.877 0.416 7.163 1.00 43.20 H new ATOM 0 HB3 LYS A 90 10.101 -0.742 8.225 1.00 43.20 H new ATOM 0 HG2 LYS A 90 10.230 -2.497 6.542 1.00 62.42 H new ATOM 0 HG3 LYS A 90 10.737 -1.361 5.308 1.00 62.42 H new ATOM 0 HD2 LYS A 90 12.644 -2.729 6.246 1.00 13.53 H new ATOM 0 HD3 LYS A 90 12.892 -1.000 6.397 1.00 13.53 H new ATOM 0 HE2 LYS A 90 12.154 -1.097 8.783 1.00 25.15 H new ATOM 0 HE3 LYS A 90 11.890 -2.823 8.635 1.00 25.15 H new ATOM 0 HZ1 LYS A 90 14.031 -2.295 9.639 1.00 22.13 H new ATOM 0 HZ2 LYS A 90 14.229 -3.139 8.179 1.00 22.13 H new ATOM 0 HZ3 LYS A 90 14.506 -1.465 8.236 1.00 22.13 H new ATOM 1528 N ARG A 91 8.792 2.315 7.680 1.00 2.42 N ATOM 1529 CA ARG A 91 8.389 3.376 8.609 1.00 24.35 C ATOM 1530 C ARG A 91 6.905 3.688 8.443 1.00 14.43 C ATOM 1531 O ARG A 91 6.185 3.678 9.425 1.00 45.12 O ATOM 1532 CB ARG A 91 9.195 4.694 8.438 1.00 64.21 C ATOM 1533 CG ARG A 91 8.772 5.787 9.465 1.00 45.04 C ATOM 1534 CD ARG A 91 9.174 7.218 9.079 1.00 55.21 C ATOM 1535 NE ARG A 91 8.418 8.210 9.873 1.00 51.41 N ATOM 1536 CZ ARG A 91 8.041 9.427 9.450 1.00 25.13 C ATOM 1537 NH1 ARG A 91 8.346 9.856 8.219 1.00 20.32 N ATOM 1538 NH2 ARG A 91 7.319 10.202 10.257 1.00 63.13 N ATOM 0 H ARG A 91 9.511 2.596 7.013 1.00 2.42 H new ATOM 0 HA ARG A 91 8.599 2.991 9.607 1.00 24.35 H new ATOM 0 HB2 ARG A 91 10.258 4.484 8.553 1.00 64.21 H new ATOM 0 HB3 ARG A 91 9.053 5.075 7.427 1.00 64.21 H new ATOM 0 HG2 ARG A 91 7.690 5.749 9.591 1.00 45.04 H new ATOM 0 HG3 ARG A 91 9.214 5.548 10.432 1.00 45.04 H new ATOM 0 HD2 ARG A 91 10.243 7.356 9.240 1.00 55.21 H new ATOM 0 HD3 ARG A 91 8.988 7.378 8.017 1.00 55.21 H new ATOM 0 HE ARG A 91 8.161 7.947 10.824 1.00 51.41 H new ATOM 0 HH11 ARG A 91 8.873 9.255 7.585 1.00 20.32 H new ATOM 0 HH12 ARG A 91 8.051 10.784 7.915 1.00 20.32 H new ATOM 0 HH21 ARG A 91 7.058 9.869 11.185 1.00 63.13 H new ATOM 0 HH22 ARG A 91 7.027 11.129 9.947 1.00 63.13 H new ATOM 1552 N TRP A 92 6.456 3.965 7.198 1.00 4.30 N ATOM 1553 CA TRP A 92 5.050 4.328 6.936 1.00 75.52 C ATOM 1554 C TRP A 92 4.059 3.238 7.386 1.00 11.22 C ATOM 1555 O TRP A 92 2.945 3.563 7.785 1.00 4.21 O ATOM 1556 CB TRP A 92 4.821 4.668 5.446 1.00 1.20 C ATOM 1557 CG TRP A 92 5.546 5.907 4.964 1.00 75.40 C ATOM 1558 CD1 TRP A 92 6.462 5.984 3.959 1.00 54.51 C ATOM 1559 CD2 TRP A 92 5.403 7.251 5.467 1.00 51.11 C ATOM 1560 NE1 TRP A 92 6.906 7.268 3.812 1.00 2.44 N ATOM 1561 CE2 TRP A 92 6.274 8.066 4.721 1.00 5.15 C ATOM 1562 CE3 TRP A 92 4.633 7.843 6.473 1.00 23.20 C ATOM 1563 CZ2 TRP A 92 6.392 9.434 4.941 1.00 52.12 C ATOM 1564 CZ3 TRP A 92 4.750 9.202 6.693 1.00 43.31 C ATOM 1565 CH2 TRP A 92 5.628 9.985 5.932 1.00 71.30 C ATOM 0 H TRP A 92 7.045 3.944 6.365 1.00 4.30 H new ATOM 0 HA TRP A 92 4.854 5.217 7.535 1.00 75.52 H new ATOM 0 HB2 TRP A 92 5.138 3.819 4.840 1.00 1.20 H new ATOM 0 HB3 TRP A 92 3.752 4.799 5.277 1.00 1.20 H new ATOM 0 HD1 TRP A 92 6.792 5.147 3.361 1.00 54.51 H new ATOM 0 HE1 TRP A 92 7.599 7.580 3.132 1.00 2.44 H new ATOM 0 HE3 TRP A 92 3.957 7.247 7.069 1.00 23.20 H new ATOM 0 HZ2 TRP A 92 7.063 10.040 4.350 1.00 52.12 H new ATOM 0 HZ3 TRP A 92 4.155 9.668 7.464 1.00 43.31 H new ATOM 0 HH2 TRP A 92 5.703 11.044 6.132 1.00 71.30 H new ATOM 1576 N ILE A 93 4.479 1.954 7.332 1.00 12.45 N ATOM 1577 CA ILE A 93 3.665 0.813 7.812 1.00 74.53 C ATOM 1578 C ILE A 93 3.510 0.900 9.341 1.00 45.42 C ATOM 1579 O ILE A 93 2.411 0.692 9.877 1.00 62.24 O ATOM 1580 CB ILE A 93 4.307 -0.564 7.383 1.00 54.53 C ATOM 1581 CG1 ILE A 93 4.275 -0.698 5.828 1.00 4.13 C ATOM 1582 CG2 ILE A 93 3.622 -1.779 8.069 1.00 74.40 C ATOM 1583 CD1 ILE A 93 4.971 -1.926 5.288 1.00 72.50 C ATOM 0 H ILE A 93 5.387 1.680 6.957 1.00 12.45 H new ATOM 0 HA ILE A 93 2.678 0.866 7.353 1.00 74.53 H new ATOM 0 HB ILE A 93 5.343 -0.570 7.721 1.00 54.53 H new ATOM 0 HG12 ILE A 93 3.236 -0.711 5.499 1.00 4.13 H new ATOM 0 HG13 ILE A 93 4.737 0.187 5.391 1.00 4.13 H new ATOM 0 HG21 ILE A 93 4.101 -2.701 7.740 1.00 74.40 H new ATOM 0 HG22 ILE A 93 3.717 -1.687 9.151 1.00 74.40 H new ATOM 0 HG23 ILE A 93 2.566 -1.802 7.798 1.00 74.40 H new ATOM 0 HD11 ILE A 93 4.899 -1.936 4.200 1.00 72.50 H new ATOM 0 HD12 ILE A 93 6.021 -1.908 5.582 1.00 72.50 H new ATOM 0 HD13 ILE A 93 4.496 -2.820 5.692 1.00 72.50 H new ATOM 1595 N LYS A 94 4.622 1.245 10.027 1.00 15.42 N ATOM 1596 CA LYS A 94 4.613 1.548 11.466 1.00 14.20 C ATOM 1597 C LYS A 94 3.662 2.729 11.760 1.00 52.21 C ATOM 1598 O LYS A 94 2.767 2.584 12.576 1.00 12.13 O ATOM 1599 CB LYS A 94 6.052 1.848 11.981 1.00 42.23 C ATOM 1600 CG LYS A 94 6.113 2.347 13.438 1.00 74.41 C ATOM 1601 CD LYS A 94 7.547 2.664 13.913 1.00 32.20 C ATOM 1602 CE LYS A 94 7.567 3.220 15.346 1.00 32.04 C ATOM 1603 NZ LYS A 94 6.897 2.301 16.312 1.00 10.22 N ATOM 0 H LYS A 94 5.544 1.320 9.597 1.00 15.42 H new ATOM 0 HA LYS A 94 4.246 0.671 12.000 1.00 14.20 H new ATOM 0 HB2 LYS A 94 6.653 0.943 11.894 1.00 42.23 H new ATOM 0 HB3 LYS A 94 6.508 2.597 11.333 1.00 42.23 H new ATOM 0 HG2 LYS A 94 5.499 3.242 13.534 1.00 74.41 H new ATOM 0 HG3 LYS A 94 5.679 1.591 14.093 1.00 74.41 H new ATOM 0 HD2 LYS A 94 8.153 1.759 13.866 1.00 32.20 H new ATOM 0 HD3 LYS A 94 8.002 3.388 13.237 1.00 32.20 H new ATOM 0 HE2 LYS A 94 8.599 3.383 15.657 1.00 32.04 H new ATOM 0 HE3 LYS A 94 7.071 4.190 15.365 1.00 32.04 H new ATOM 0 HZ1 LYS A 94 7.064 2.635 17.282 1.00 10.22 H new ATOM 0 HZ2 LYS A 94 5.874 2.284 16.123 1.00 10.22 H new ATOM 0 HZ3 LYS A 94 7.285 1.342 16.205 1.00 10.22 H new ATOM 1617 N GLU A 95 3.813 3.851 11.018 1.00 22.12 N ATOM 1618 CA GLU A 95 3.031 5.098 11.243 1.00 30.22 C ATOM 1619 C GLU A 95 1.522 4.844 11.052 1.00 54.41 C ATOM 1620 O GLU A 95 0.684 5.383 11.770 1.00 14.03 O ATOM 1621 CB GLU A 95 3.484 6.208 10.253 1.00 14.40 C ATOM 1622 CG GLU A 95 5.000 6.494 10.223 1.00 44.42 C ATOM 1623 CD GLU A 95 5.585 6.969 11.565 1.00 14.12 C ATOM 1624 OE1 GLU A 95 5.602 8.196 11.813 1.00 62.31 O ATOM 1625 OE2 GLU A 95 6.060 6.126 12.362 1.00 32.44 O ATOM 0 H GLU A 95 4.478 3.921 10.247 1.00 22.12 H new ATOM 0 HA GLU A 95 3.213 5.422 12.268 1.00 30.22 H new ATOM 0 HB2 GLU A 95 3.165 5.927 9.249 1.00 14.40 H new ATOM 0 HB3 GLU A 95 2.963 7.131 10.506 1.00 14.40 H new ATOM 0 HG2 GLU A 95 5.522 5.589 9.913 1.00 44.42 H new ATOM 0 HG3 GLU A 95 5.199 7.252 9.465 1.00 44.42 H new ATOM 1632 N PHE A 96 1.222 3.991 10.068 1.00 72.31 N ATOM 1633 CA PHE A 96 -0.146 3.608 9.681 1.00 23.24 C ATOM 1634 C PHE A 96 -0.775 2.661 10.721 1.00 51.30 C ATOM 1635 O PHE A 96 -1.993 2.586 10.851 1.00 33.02 O ATOM 1636 CB PHE A 96 -0.079 2.940 8.286 1.00 41.41 C ATOM 1637 CG PHE A 96 -1.409 2.495 7.692 1.00 42.12 C ATOM 1638 CD1 PHE A 96 -2.361 3.432 7.286 1.00 11.23 C ATOM 1639 CD2 PHE A 96 -1.700 1.138 7.521 1.00 23.31 C ATOM 1640 CE1 PHE A 96 -3.557 3.024 6.732 1.00 63.14 C ATOM 1641 CE2 PHE A 96 -2.892 0.738 6.970 1.00 10.54 C ATOM 1642 CZ PHE A 96 -3.819 1.678 6.577 1.00 65.11 C ATOM 0 H PHE A 96 1.938 3.535 9.503 1.00 72.31 H new ATOM 0 HA PHE A 96 -0.781 4.493 9.640 1.00 23.24 H new ATOM 0 HB2 PHE A 96 0.390 3.639 7.593 1.00 41.41 H new ATOM 0 HB3 PHE A 96 0.575 2.071 8.353 1.00 41.41 H new ATOM 0 HD1 PHE A 96 -2.159 4.486 7.407 1.00 11.23 H new ATOM 0 HD2 PHE A 96 -0.978 0.395 7.826 1.00 23.31 H new ATOM 0 HE1 PHE A 96 -4.287 3.757 6.420 1.00 63.14 H new ATOM 0 HE2 PHE A 96 -3.103 -0.314 6.845 1.00 10.54 H new ATOM 0 HZ PHE A 96 -4.756 1.360 6.145 1.00 65.11 H new ATOM 1652 N SER A 97 0.075 1.916 11.432 1.00 21.34 N ATOM 1653 CA SER A 97 -0.348 1.028 12.522 1.00 51.32 C ATOM 1654 C SER A 97 -0.438 1.794 13.866 1.00 42.20 C ATOM 1655 O SER A 97 -1.288 1.479 14.706 1.00 53.41 O ATOM 1656 CB SER A 97 0.628 -0.160 12.620 1.00 72.15 C ATOM 1657 OG SER A 97 0.168 -1.143 13.528 1.00 41.24 O ATOM 0 H SER A 97 1.082 1.911 11.268 1.00 21.34 H new ATOM 0 HA SER A 97 -1.346 0.649 12.304 1.00 51.32 H new ATOM 0 HB2 SER A 97 0.757 -0.607 11.634 1.00 72.15 H new ATOM 0 HB3 SER A 97 1.607 0.199 12.938 1.00 72.15 H new ATOM 0 HG SER A 97 0.924 -1.490 14.046 1.00 41.24 H new