USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 937 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 1 MET CE :methyl -149:sc= -0.0223 (180deg=-0.183) USER MOD Set 1.2: A 39 ASN : amide:sc= -0.359 K(o=-0.38,f=-1.6) USER MOD Set 2.1: A 37 TYR OH : rot 0:sc= 0.841 USER MOD Set 2.2: A 69 SER OG : rot -141:sc= 0.972 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0783 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0.833 (180deg=0.532) USER MOD Single : A 34 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.15) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -1.53 (180deg=-2.57!) USER MOD Single : A 36 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= -0.162 (180deg=-0.212) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 0.168 (180deg=0.0926) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0431) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc= 0.993 (180deg=0.446) USER MOD Single : A 88 ASN : amide:sc= 0.236 X(o=0.24,f=-0.1) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.558 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc=-0.00139 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.568 K(o=-0.57,f=0.061) USER MOD Single : A 108 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-0.39) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.016) USER MOD Single : A 112 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.700 -3.660 21.093 1.00 54.02 N ATOM 2 CA MET A 1 -4.188 -3.110 19.821 1.00 1.23 C ATOM 3 C MET A 1 -2.918 -3.869 19.401 1.00 2.10 C ATOM 4 O MET A 1 -1.950 -3.956 20.168 1.00 51.24 O ATOM 5 CB MET A 1 -3.906 -1.585 19.954 1.00 32.50 C ATOM 6 CG MET A 1 -3.338 -0.916 18.689 1.00 2.45 C ATOM 7 SD MET A 1 -2.972 0.842 18.910 1.00 42.00 S ATOM 8 CE MET A 1 -4.605 1.538 19.147 1.00 1.53 C ATOM 0 H1 MET A 1 -5.558 -3.144 21.374 1.00 54.02 H new ATOM 0 H2 MET A 1 -4.926 -4.668 20.970 1.00 54.02 H new ATOM 0 H3 MET A 1 -3.976 -3.556 21.833 1.00 54.02 H new ATOM 0 HA MET A 1 -4.946 -3.241 19.048 1.00 1.23 H new ATOM 0 HB2 MET A 1 -4.833 -1.082 20.228 1.00 32.50 H new ATOM 0 HB3 MET A 1 -3.205 -1.430 20.774 1.00 32.50 H new ATOM 0 HG2 MET A 1 -2.427 -1.435 18.390 1.00 2.45 H new ATOM 0 HG3 MET A 1 -4.052 -1.031 17.874 1.00 2.45 H new ATOM 0 HE1 MET A 1 -4.627 2.556 18.758 1.00 1.53 H new ATOM 0 HE2 MET A 1 -5.339 0.931 18.617 1.00 1.53 H new ATOM 0 HE3 MET A 1 -4.844 1.551 20.210 1.00 1.53 H new ATOM 20 N LEU A 2 -2.956 -4.428 18.188 1.00 21.35 N ATOM 21 CA LEU A 2 -1.831 -5.129 17.549 1.00 12.13 C ATOM 22 C LEU A 2 -1.342 -4.309 16.342 1.00 34.24 C ATOM 23 O LEU A 2 -2.060 -3.442 15.843 1.00 45.21 O ATOM 24 CB LEU A 2 -2.268 -6.581 17.148 1.00 55.12 C ATOM 25 CG LEU A 2 -3.615 -6.748 16.342 1.00 52.35 C ATOM 26 CD1 LEU A 2 -3.503 -6.277 14.878 1.00 30.13 C ATOM 27 CD2 LEU A 2 -4.134 -8.203 16.404 1.00 53.41 C ATOM 0 H LEU A 2 -3.792 -4.406 17.604 1.00 21.35 H new ATOM 0 HA LEU A 2 -0.998 -5.225 18.245 1.00 12.13 H new ATOM 0 HB2 LEU A 2 -1.466 -7.020 16.555 1.00 55.12 H new ATOM 0 HB3 LEU A 2 -2.349 -7.171 18.061 1.00 55.12 H new ATOM 0 HG LEU A 2 -4.340 -6.097 16.832 1.00 52.35 H new ATOM 0 HD11 LEU A 2 -4.461 -6.417 14.376 1.00 30.13 H new ATOM 0 HD12 LEU A 2 -3.232 -5.221 14.855 1.00 30.13 H new ATOM 0 HD13 LEU A 2 -2.737 -6.859 14.366 1.00 30.13 H new ATOM 0 HD21 LEU A 2 -5.063 -8.282 15.839 1.00 53.41 H new ATOM 0 HD22 LEU A 2 -3.389 -8.873 15.975 1.00 53.41 H new ATOM 0 HD23 LEU A 2 -4.316 -8.480 17.442 1.00 53.41 H new ATOM 39 N THR A 3 -0.109 -4.543 15.907 1.00 31.51 N ATOM 40 CA THR A 3 0.386 -4.012 14.639 1.00 32.12 C ATOM 41 C THR A 3 0.590 -5.176 13.655 1.00 55.15 C ATOM 42 O THR A 3 1.084 -6.246 14.041 1.00 32.33 O ATOM 43 CB THR A 3 1.713 -3.210 14.826 1.00 73.05 C ATOM 44 OG1 THR A 3 1.583 -2.299 15.937 1.00 52.30 O ATOM 45 CG2 THR A 3 2.053 -2.413 13.564 1.00 54.34 C ATOM 0 H THR A 3 0.573 -5.103 16.419 1.00 31.51 H new ATOM 0 HA THR A 3 -0.352 -3.316 14.240 1.00 32.12 H new ATOM 0 HB THR A 3 2.514 -3.923 15.020 1.00 73.05 H new ATOM 0 HG1 THR A 3 2.419 -1.800 16.050 1.00 52.30 H new ATOM 0 HG21 THR A 3 2.981 -1.863 13.720 1.00 54.34 H new ATOM 0 HG22 THR A 3 2.173 -3.096 12.723 1.00 54.34 H new ATOM 0 HG23 THR A 3 1.247 -1.711 13.349 1.00 54.34 H new ATOM 53 N VAL A 4 0.185 -4.964 12.398 1.00 45.31 N ATOM 54 CA VAL A 4 0.373 -5.927 11.304 1.00 41.22 C ATOM 55 C VAL A 4 1.070 -5.211 10.137 1.00 71.22 C ATOM 56 O VAL A 4 0.757 -4.054 9.827 1.00 62.10 O ATOM 57 CB VAL A 4 -0.996 -6.567 10.834 1.00 12.45 C ATOM 58 CG1 VAL A 4 -1.984 -5.502 10.332 1.00 72.14 C ATOM 59 CG2 VAL A 4 -0.784 -7.673 9.765 1.00 61.13 C ATOM 0 H VAL A 4 -0.288 -4.109 12.107 1.00 45.31 H new ATOM 0 HA VAL A 4 0.992 -6.750 11.662 1.00 41.22 H new ATOM 0 HB VAL A 4 -1.435 -7.038 11.713 1.00 12.45 H new ATOM 0 HG11 VAL A 4 -2.910 -5.984 10.019 1.00 72.14 H new ATOM 0 HG12 VAL A 4 -2.196 -4.795 11.134 1.00 72.14 H new ATOM 0 HG13 VAL A 4 -1.548 -4.971 9.486 1.00 72.14 H new ATOM 0 HG21 VAL A 4 -1.749 -8.085 9.471 1.00 61.13 H new ATOM 0 HG22 VAL A 4 -0.291 -7.245 8.892 1.00 61.13 H new ATOM 0 HG23 VAL A 4 -0.163 -8.466 10.180 1.00 61.13 H new ATOM 69 N GLU A 5 2.057 -5.878 9.543 1.00 11.13 N ATOM 70 CA GLU A 5 2.737 -5.415 8.335 1.00 22.43 C ATOM 71 C GLU A 5 2.416 -6.342 7.168 1.00 50.04 C ATOM 72 O GLU A 5 2.216 -7.555 7.348 1.00 11.25 O ATOM 73 CB GLU A 5 4.270 -5.349 8.536 1.00 23.42 C ATOM 74 CG GLU A 5 4.750 -4.271 9.513 1.00 64.12 C ATOM 75 CD GLU A 5 6.271 -4.105 9.474 1.00 1.12 C ATOM 76 OE1 GLU A 5 6.790 -3.550 8.488 1.00 5.22 O ATOM 77 OE2 GLU A 5 6.965 -4.543 10.415 1.00 1.35 O ATOM 0 H GLU A 5 2.412 -6.768 9.892 1.00 11.13 H new ATOM 0 HA GLU A 5 2.378 -4.409 8.117 1.00 22.43 H new ATOM 0 HB2 GLU A 5 4.617 -6.320 8.891 1.00 23.42 H new ATOM 0 HB3 GLU A 5 4.741 -5.176 7.568 1.00 23.42 H new ATOM 0 HG2 GLU A 5 4.274 -3.321 9.269 1.00 64.12 H new ATOM 0 HG3 GLU A 5 4.439 -4.532 10.524 1.00 64.12 H new ATOM 84 N VAL A 6 2.377 -5.745 5.983 1.00 22.32 N ATOM 85 CA VAL A 6 2.289 -6.441 4.709 1.00 51.34 C ATOM 86 C VAL A 6 3.418 -5.910 3.799 1.00 73.32 C ATOM 87 O VAL A 6 3.524 -4.699 3.556 1.00 22.30 O ATOM 88 CB VAL A 6 0.862 -6.251 4.056 1.00 34.44 C ATOM 89 CG1 VAL A 6 0.514 -4.763 3.818 1.00 34.05 C ATOM 90 CG2 VAL A 6 0.725 -7.078 2.765 1.00 71.51 C ATOM 0 H VAL A 6 2.407 -4.731 5.881 1.00 22.32 H new ATOM 0 HA VAL A 6 2.415 -7.514 4.853 1.00 51.34 H new ATOM 0 HB VAL A 6 0.133 -6.628 4.773 1.00 34.44 H new ATOM 0 HG11 VAL A 6 -0.476 -4.688 3.368 1.00 34.05 H new ATOM 0 HG12 VAL A 6 0.521 -4.231 4.769 1.00 34.05 H new ATOM 0 HG13 VAL A 6 1.251 -4.320 3.149 1.00 34.05 H new ATOM 0 HG21 VAL A 6 -0.267 -6.926 2.339 1.00 71.51 H new ATOM 0 HG22 VAL A 6 1.481 -6.759 2.047 1.00 71.51 H new ATOM 0 HG23 VAL A 6 0.864 -8.135 2.993 1.00 71.51 H new ATOM 100 N GLU A 7 4.295 -6.808 3.352 1.00 75.32 N ATOM 101 CA GLU A 7 5.400 -6.482 2.451 1.00 11.20 C ATOM 102 C GLU A 7 5.023 -6.908 1.023 1.00 72.33 C ATOM 103 O GLU A 7 4.976 -8.104 0.703 1.00 14.34 O ATOM 104 CB GLU A 7 6.688 -7.187 2.921 1.00 15.53 C ATOM 105 CG GLU A 7 7.938 -6.789 2.121 1.00 64.41 C ATOM 106 CD GLU A 7 9.206 -7.426 2.675 1.00 71.24 C ATOM 107 OE1 GLU A 7 9.630 -7.055 3.788 1.00 61.43 O ATOM 108 OE2 GLU A 7 9.758 -8.342 2.038 1.00 24.21 O ATOM 0 H GLU A 7 4.258 -7.795 3.608 1.00 75.32 H new ATOM 0 HA GLU A 7 5.586 -5.408 2.460 1.00 11.20 H new ATOM 0 HB2 GLU A 7 6.853 -6.958 3.974 1.00 15.53 H new ATOM 0 HB3 GLU A 7 6.549 -8.266 2.847 1.00 15.53 H new ATOM 0 HG2 GLU A 7 7.810 -7.086 1.080 1.00 64.41 H new ATOM 0 HG3 GLU A 7 8.044 -5.704 2.133 1.00 64.41 H new ATOM 115 N VAL A 8 4.707 -5.915 0.194 1.00 71.35 N ATOM 116 CA VAL A 8 4.360 -6.102 -1.212 1.00 70.32 C ATOM 117 C VAL A 8 5.575 -5.741 -2.086 1.00 63.21 C ATOM 118 O VAL A 8 5.946 -4.568 -2.182 1.00 71.02 O ATOM 119 CB VAL A 8 3.121 -5.206 -1.596 1.00 11.31 C ATOM 120 CG1 VAL A 8 2.707 -5.429 -3.061 1.00 23.53 C ATOM 121 CG2 VAL A 8 1.937 -5.450 -0.628 1.00 52.22 C ATOM 0 H VAL A 8 4.685 -4.938 0.488 1.00 71.35 H new ATOM 0 HA VAL A 8 4.090 -7.144 -1.382 1.00 70.32 H new ATOM 0 HB VAL A 8 3.418 -4.162 -1.496 1.00 11.31 H new ATOM 0 HG11 VAL A 8 1.850 -4.798 -3.297 1.00 23.53 H new ATOM 0 HG12 VAL A 8 3.539 -5.172 -3.717 1.00 23.53 H new ATOM 0 HG13 VAL A 8 2.438 -6.475 -3.208 1.00 23.53 H new ATOM 0 HG21 VAL A 8 1.096 -4.819 -0.916 1.00 52.22 H new ATOM 0 HG22 VAL A 8 1.638 -6.497 -0.675 1.00 52.22 H new ATOM 0 HG23 VAL A 8 2.242 -5.205 0.389 1.00 52.22 H new ATOM 131 N LYS A 9 6.212 -6.753 -2.695 1.00 53.42 N ATOM 132 CA LYS A 9 7.336 -6.548 -3.618 1.00 63.30 C ATOM 133 C LYS A 9 6.777 -6.315 -5.035 1.00 62.34 C ATOM 134 O LYS A 9 6.164 -7.209 -5.631 1.00 51.51 O ATOM 135 CB LYS A 9 8.298 -7.763 -3.571 1.00 14.02 C ATOM 136 CG LYS A 9 9.571 -7.604 -4.432 1.00 12.22 C ATOM 137 CD LYS A 9 10.554 -8.791 -4.282 1.00 73.12 C ATOM 138 CE LYS A 9 11.820 -8.628 -5.134 1.00 2.40 C ATOM 139 NZ LYS A 9 12.756 -9.777 -4.961 1.00 5.33 N ATOM 0 H LYS A 9 5.963 -7.733 -2.561 1.00 53.42 H new ATOM 0 HA LYS A 9 7.912 -5.671 -3.322 1.00 63.30 H new ATOM 0 HB2 LYS A 9 8.593 -7.937 -2.536 1.00 14.02 H new ATOM 0 HB3 LYS A 9 7.759 -8.651 -3.902 1.00 14.02 H new ATOM 0 HG2 LYS A 9 9.285 -7.506 -5.479 1.00 12.22 H new ATOM 0 HG3 LYS A 9 10.079 -6.681 -4.153 1.00 12.22 H new ATOM 0 HD2 LYS A 9 10.837 -8.892 -3.234 1.00 73.12 H new ATOM 0 HD3 LYS A 9 10.048 -9.714 -4.565 1.00 73.12 H new ATOM 0 HE2 LYS A 9 11.542 -8.540 -6.184 1.00 2.40 H new ATOM 0 HE3 LYS A 9 12.326 -7.702 -4.860 1.00 2.40 H new ATOM 0 HZ1 LYS A 9 13.599 -9.630 -5.552 1.00 5.33 H new ATOM 0 HZ2 LYS A 9 13.041 -9.846 -3.963 1.00 5.33 H new ATOM 0 HZ3 LYS A 9 12.282 -10.657 -5.247 1.00 5.33 H new ATOM 153 N ILE A 10 6.976 -5.098 -5.552 1.00 52.24 N ATOM 154 CA ILE A 10 6.397 -4.640 -6.826 1.00 10.32 C ATOM 155 C ILE A 10 7.488 -4.636 -7.904 1.00 4.35 C ATOM 156 O ILE A 10 8.443 -3.866 -7.807 1.00 53.33 O ATOM 157 CB ILE A 10 5.810 -3.182 -6.683 1.00 43.14 C ATOM 158 CG1 ILE A 10 4.838 -3.095 -5.464 1.00 54.30 C ATOM 159 CG2 ILE A 10 5.122 -2.723 -7.995 1.00 32.24 C ATOM 160 CD1 ILE A 10 4.312 -1.704 -5.153 1.00 61.44 C ATOM 0 H ILE A 10 7.551 -4.391 -5.093 1.00 52.24 H new ATOM 0 HA ILE A 10 5.590 -5.318 -7.105 1.00 10.32 H new ATOM 0 HB ILE A 10 6.639 -2.499 -6.497 1.00 43.14 H new ATOM 0 HG12 ILE A 10 3.989 -3.754 -5.649 1.00 54.30 H new ATOM 0 HG13 ILE A 10 5.352 -3.477 -4.582 1.00 54.30 H new ATOM 0 HG21 ILE A 10 4.728 -1.715 -7.866 1.00 32.24 H new ATOM 0 HG22 ILE A 10 5.849 -2.727 -8.807 1.00 32.24 H new ATOM 0 HG23 ILE A 10 4.306 -3.404 -8.235 1.00 32.24 H new ATOM 0 HD11 ILE A 10 3.647 -1.751 -4.291 1.00 61.44 H new ATOM 0 HD12 ILE A 10 5.148 -1.040 -4.931 1.00 61.44 H new ATOM 0 HD13 ILE A 10 3.764 -1.321 -6.014 1.00 61.44 H new ATOM 172 N THR A 11 7.370 -5.513 -8.906 1.00 23.32 N ATOM 173 CA THR A 11 8.250 -5.480 -10.085 1.00 20.30 C ATOM 174 C THR A 11 7.626 -4.533 -11.135 1.00 13.11 C ATOM 175 O THR A 11 6.481 -4.716 -11.544 1.00 73.22 O ATOM 176 CB THR A 11 8.520 -6.922 -10.659 1.00 3.24 C ATOM 177 OG1 THR A 11 9.476 -6.867 -11.730 1.00 63.41 O ATOM 178 CG2 THR A 11 7.252 -7.648 -11.139 1.00 22.34 C ATOM 0 H THR A 11 6.673 -6.257 -8.927 1.00 23.32 H new ATOM 0 HA THR A 11 9.229 -5.097 -9.799 1.00 20.30 H new ATOM 0 HB THR A 11 8.917 -7.501 -9.825 1.00 3.24 H new ATOM 0 HG1 THR A 11 9.634 -7.771 -12.074 1.00 63.41 H new ATOM 0 HG21 THR A 11 7.519 -8.634 -11.520 1.00 22.34 H new ATOM 0 HG22 THR A 11 6.558 -7.757 -10.306 1.00 22.34 H new ATOM 0 HG23 THR A 11 6.779 -7.068 -11.932 1.00 22.34 H new ATOM 186 N ALA A 12 8.373 -3.486 -11.512 1.00 2.35 N ATOM 187 CA ALA A 12 7.889 -2.431 -12.421 1.00 22.24 C ATOM 188 C ALA A 12 9.039 -1.958 -13.307 1.00 34.33 C ATOM 189 O ALA A 12 10.198 -1.994 -12.882 1.00 44.22 O ATOM 190 CB ALA A 12 7.293 -1.259 -11.614 1.00 53.24 C ATOM 0 H ALA A 12 9.332 -3.344 -11.196 1.00 2.35 H new ATOM 0 HA ALA A 12 7.100 -2.833 -13.056 1.00 22.24 H new ATOM 0 HB1 ALA A 12 6.940 -0.488 -12.299 1.00 53.24 H new ATOM 0 HB2 ALA A 12 6.459 -1.619 -11.012 1.00 53.24 H new ATOM 0 HB3 ALA A 12 8.059 -0.841 -10.960 1.00 53.24 H new ATOM 196 N ASP A 13 8.716 -1.528 -14.533 1.00 15.01 N ATOM 197 CA ASP A 13 9.720 -1.063 -15.506 1.00 75.45 C ATOM 198 C ASP A 13 10.263 0.300 -15.072 1.00 60.20 C ATOM 199 O ASP A 13 11.470 0.563 -15.169 1.00 54.10 O ATOM 200 CB ASP A 13 9.109 -0.989 -16.923 1.00 50.53 C ATOM 201 CG ASP A 13 10.104 -0.537 -18.006 1.00 22.24 C ATOM 202 OD1 ASP A 13 10.927 -1.366 -18.455 1.00 10.45 O ATOM 203 OD2 ASP A 13 10.065 0.636 -18.433 1.00 34.34 O ATOM 0 H ASP A 13 7.758 -1.491 -14.880 1.00 15.01 H new ATOM 0 HA ASP A 13 10.545 -1.775 -15.537 1.00 75.45 H new ATOM 0 HB2 ASP A 13 8.716 -1.970 -17.191 1.00 50.53 H new ATOM 0 HB3 ASP A 13 8.264 -0.300 -16.909 1.00 50.53 H new ATOM 208 N ASP A 14 9.349 1.165 -14.584 1.00 63.33 N ATOM 209 CA ASP A 14 9.703 2.488 -14.039 1.00 51.32 C ATOM 210 C ASP A 14 9.402 2.498 -12.526 1.00 55.25 C ATOM 211 O ASP A 14 8.297 2.866 -12.096 1.00 34.23 O ATOM 212 CB ASP A 14 8.939 3.626 -14.784 1.00 74.41 C ATOM 213 CG ASP A 14 9.567 5.030 -14.589 1.00 1.11 C ATOM 214 OD1 ASP A 14 9.652 5.520 -13.450 1.00 21.21 O ATOM 215 OD2 ASP A 14 9.983 5.657 -15.582 1.00 61.34 O ATOM 0 H ASP A 14 8.349 0.965 -14.558 1.00 63.33 H new ATOM 0 HA ASP A 14 10.766 2.674 -14.192 1.00 51.32 H new ATOM 0 HB2 ASP A 14 8.910 3.395 -15.849 1.00 74.41 H new ATOM 0 HB3 ASP A 14 7.907 3.648 -14.435 1.00 74.41 H new ATOM 220 N GLU A 15 10.384 2.024 -11.738 1.00 61.41 N ATOM 221 CA GLU A 15 10.291 1.957 -10.259 1.00 2.31 C ATOM 222 C GLU A 15 10.163 3.365 -9.616 1.00 23.52 C ATOM 223 O GLU A 15 9.540 3.503 -8.553 1.00 42.43 O ATOM 224 CB GLU A 15 11.505 1.188 -9.642 1.00 21.32 C ATOM 225 CG GLU A 15 12.860 1.921 -9.675 1.00 4.14 C ATOM 226 CD GLU A 15 13.379 2.189 -11.093 1.00 74.11 C ATOM 227 OE1 GLU A 15 13.896 1.248 -11.728 1.00 74.31 O ATOM 228 OE2 GLU A 15 13.235 3.326 -11.594 1.00 65.15 O ATOM 0 H GLU A 15 11.269 1.674 -12.105 1.00 61.41 H new ATOM 0 HA GLU A 15 9.380 1.403 -10.032 1.00 2.31 H new ATOM 0 HB2 GLU A 15 11.269 0.950 -8.605 1.00 21.32 H new ATOM 0 HB3 GLU A 15 11.615 0.240 -10.169 1.00 21.32 H new ATOM 0 HG2 GLU A 15 12.763 2.870 -9.147 1.00 4.14 H new ATOM 0 HG3 GLU A 15 13.597 1.329 -9.133 1.00 4.14 H new ATOM 235 N ASN A 16 10.737 4.400 -10.284 1.00 43.31 N ATOM 236 CA ASN A 16 10.741 5.797 -9.794 1.00 70.54 C ATOM 237 C ASN A 16 9.306 6.323 -9.654 1.00 61.54 C ATOM 238 O ASN A 16 8.922 6.828 -8.593 1.00 25.45 O ATOM 239 CB ASN A 16 11.572 6.711 -10.733 1.00 44.12 C ATOM 240 CG ASN A 16 11.716 8.145 -10.196 1.00 51.04 C ATOM 241 OD1 ASN A 16 12.665 8.459 -9.475 1.00 50.21 O ATOM 242 ND2 ASN A 16 10.770 9.021 -10.526 1.00 41.22 N ATOM 0 H ASN A 16 11.211 4.285 -11.180 1.00 43.31 H new ATOM 0 HA ASN A 16 11.209 5.811 -8.810 1.00 70.54 H new ATOM 0 HB2 ASN A 16 12.563 6.278 -10.870 1.00 44.12 H new ATOM 0 HB3 ASN A 16 11.099 6.741 -11.715 1.00 44.12 H new ATOM 0 HD21 ASN A 16 10.819 9.979 -10.180 1.00 41.22 H new ATOM 0 HD22 ASN A 16 9.996 8.734 -11.124 1.00 41.22 H new ATOM 249 N LYS A 17 8.521 6.162 -10.736 1.00 1.41 N ATOM 250 CA LYS A 17 7.097 6.515 -10.756 1.00 62.00 C ATOM 251 C LYS A 17 6.297 5.590 -9.841 1.00 34.43 C ATOM 252 O LYS A 17 5.422 6.061 -9.113 1.00 32.34 O ATOM 253 CB LYS A 17 6.515 6.449 -12.199 1.00 43.24 C ATOM 254 CG LYS A 17 6.934 7.612 -13.124 1.00 20.40 C ATOM 255 CD LYS A 17 6.461 8.997 -12.631 1.00 21.43 C ATOM 256 CE LYS A 17 4.930 9.093 -12.493 1.00 43.01 C ATOM 257 NZ LYS A 17 4.488 10.475 -12.149 1.00 53.25 N ATOM 0 H LYS A 17 8.861 5.783 -11.620 1.00 1.41 H new ATOM 0 HA LYS A 17 7.013 7.540 -10.394 1.00 62.00 H new ATOM 0 HB2 LYS A 17 6.825 5.510 -12.657 1.00 43.24 H new ATOM 0 HB3 LYS A 17 5.427 6.429 -12.136 1.00 43.24 H new ATOM 0 HG2 LYS A 17 8.020 7.620 -13.215 1.00 20.40 H new ATOM 0 HG3 LYS A 17 6.532 7.434 -14.122 1.00 20.40 H new ATOM 0 HD2 LYS A 17 6.922 9.211 -11.667 1.00 21.43 H new ATOM 0 HD3 LYS A 17 6.807 9.762 -13.326 1.00 21.43 H new ATOM 0 HE2 LYS A 17 4.461 8.784 -13.427 1.00 43.01 H new ATOM 0 HE3 LYS A 17 4.591 8.401 -11.722 1.00 43.01 H new ATOM 0 HZ1 LYS A 17 3.452 10.497 -12.065 1.00 53.25 H new ATOM 0 HZ2 LYS A 17 4.915 10.761 -11.245 1.00 53.25 H new ATOM 0 HZ3 LYS A 17 4.789 11.132 -12.897 1.00 53.25 H new ATOM 271 N ALA A 18 6.639 4.280 -9.880 1.00 34.11 N ATOM 272 CA ALA A 18 5.944 3.233 -9.105 1.00 3.20 C ATOM 273 C ALA A 18 5.815 3.602 -7.617 1.00 35.45 C ATOM 274 O ALA A 18 4.722 3.545 -7.053 1.00 0.41 O ATOM 275 CB ALA A 18 6.655 1.876 -9.270 1.00 42.13 C ATOM 0 H ALA A 18 7.405 3.923 -10.451 1.00 34.11 H new ATOM 0 HA ALA A 18 4.933 3.152 -9.504 1.00 3.20 H new ATOM 0 HB1 ALA A 18 6.129 1.117 -8.692 1.00 42.13 H new ATOM 0 HB2 ALA A 18 6.659 1.593 -10.323 1.00 42.13 H new ATOM 0 HB3 ALA A 18 7.682 1.957 -8.913 1.00 42.13 H new ATOM 281 N GLU A 19 6.935 4.054 -7.034 1.00 63.11 N ATOM 282 CA GLU A 19 7.014 4.459 -5.621 1.00 13.12 C ATOM 283 C GLU A 19 6.073 5.642 -5.320 1.00 12.23 C ATOM 284 O GLU A 19 5.244 5.569 -4.411 1.00 32.12 O ATOM 285 CB GLU A 19 8.473 4.844 -5.279 1.00 10.01 C ATOM 286 CG GLU A 19 8.703 5.190 -3.799 1.00 3.23 C ATOM 287 CD GLU A 19 10.110 5.715 -3.478 1.00 71.31 C ATOM 288 OE1 GLU A 19 10.413 6.866 -3.858 1.00 25.23 O ATOM 289 OE2 GLU A 19 10.902 5.006 -2.806 1.00 0.02 O ATOM 0 H GLU A 19 7.819 4.150 -7.533 1.00 63.11 H new ATOM 0 HA GLU A 19 6.698 3.618 -5.004 1.00 13.12 H new ATOM 0 HB2 GLU A 19 9.129 4.018 -5.554 1.00 10.01 H new ATOM 0 HB3 GLU A 19 8.764 5.699 -5.890 1.00 10.01 H new ATOM 0 HG2 GLU A 19 7.972 5.940 -3.496 1.00 3.23 H new ATOM 0 HG3 GLU A 19 8.515 4.300 -3.198 1.00 3.23 H new ATOM 296 N GLU A 20 6.187 6.699 -6.140 1.00 12.24 N ATOM 297 CA GLU A 20 5.476 7.979 -5.939 1.00 23.42 C ATOM 298 C GLU A 20 3.947 7.835 -6.093 1.00 31.33 C ATOM 299 O GLU A 20 3.180 8.497 -5.376 1.00 61.22 O ATOM 300 CB GLU A 20 6.018 9.038 -6.930 1.00 10.11 C ATOM 301 CG GLU A 20 7.513 9.364 -6.759 1.00 44.40 C ATOM 302 CD GLU A 20 7.848 9.936 -5.370 1.00 41.53 C ATOM 303 OE1 GLU A 20 7.685 11.164 -5.164 1.00 44.55 O ATOM 304 OE2 GLU A 20 8.266 9.173 -4.475 1.00 42.03 O ATOM 0 H GLU A 20 6.780 6.692 -6.970 1.00 12.24 H new ATOM 0 HA GLU A 20 5.663 8.301 -4.915 1.00 23.42 H new ATOM 0 HB2 GLU A 20 5.850 8.685 -7.948 1.00 10.11 H new ATOM 0 HB3 GLU A 20 5.443 9.956 -6.812 1.00 10.11 H new ATOM 0 HG2 GLU A 20 8.098 8.459 -6.924 1.00 44.40 H new ATOM 0 HG3 GLU A 20 7.813 10.081 -7.523 1.00 44.40 H new ATOM 311 N ILE A 21 3.529 6.962 -7.028 1.00 51.42 N ATOM 312 CA ILE A 21 2.112 6.656 -7.286 1.00 73.22 C ATOM 313 C ILE A 21 1.509 5.900 -6.085 1.00 71.42 C ATOM 314 O ILE A 21 0.408 6.230 -5.620 1.00 55.54 O ATOM 315 CB ILE A 21 1.951 5.803 -8.603 1.00 42.21 C ATOM 316 CG1 ILE A 21 2.409 6.609 -9.862 1.00 4.31 C ATOM 317 CG2 ILE A 21 0.506 5.295 -8.776 1.00 44.42 C ATOM 318 CD1 ILE A 21 2.439 5.797 -11.150 1.00 2.21 C ATOM 0 H ILE A 21 4.171 6.446 -7.630 1.00 51.42 H new ATOM 0 HA ILE A 21 1.576 7.596 -7.422 1.00 73.22 H new ATOM 0 HB ILE A 21 2.600 4.933 -8.504 1.00 42.21 H new ATOM 0 HG12 ILE A 21 1.740 7.459 -9.998 1.00 4.31 H new ATOM 0 HG13 ILE A 21 3.404 7.013 -9.678 1.00 4.31 H new ATOM 0 HG21 ILE A 21 0.433 4.711 -9.694 1.00 44.42 H new ATOM 0 HG22 ILE A 21 0.236 4.669 -7.925 1.00 44.42 H new ATOM 0 HG23 ILE A 21 -0.174 6.145 -8.831 1.00 44.42 H new ATOM 0 HD11 ILE A 21 2.767 6.432 -11.973 1.00 2.21 H new ATOM 0 HD12 ILE A 21 3.131 4.962 -11.038 1.00 2.21 H new ATOM 0 HD13 ILE A 21 1.441 5.415 -11.363 1.00 2.21 H new ATOM 330 N VAL A 22 2.264 4.898 -5.582 1.00 41.41 N ATOM 331 CA VAL A 22 1.867 4.107 -4.408 1.00 33.25 C ATOM 332 C VAL A 22 1.726 5.016 -3.164 1.00 51.52 C ATOM 333 O VAL A 22 0.738 4.912 -2.450 1.00 72.24 O ATOM 334 CB VAL A 22 2.870 2.913 -4.149 1.00 23.13 C ATOM 335 CG1 VAL A 22 2.611 2.219 -2.797 1.00 22.34 C ATOM 336 CG2 VAL A 22 2.805 1.879 -5.302 1.00 73.52 C ATOM 0 H VAL A 22 3.161 4.620 -5.980 1.00 41.41 H new ATOM 0 HA VAL A 22 0.892 3.663 -4.611 1.00 33.25 H new ATOM 0 HB VAL A 22 3.871 3.342 -4.113 1.00 23.13 H new ATOM 0 HG11 VAL A 22 3.324 1.406 -2.663 1.00 22.34 H new ATOM 0 HG12 VAL A 22 2.728 2.941 -1.989 1.00 22.34 H new ATOM 0 HG13 VAL A 22 1.597 1.819 -2.782 1.00 22.34 H new ATOM 0 HG21 VAL A 22 3.504 1.067 -5.102 1.00 73.52 H new ATOM 0 HG22 VAL A 22 1.794 1.478 -5.375 1.00 73.52 H new ATOM 0 HG23 VAL A 22 3.072 2.364 -6.241 1.00 73.52 H new ATOM 346 N LYS A 23 2.681 5.955 -2.971 1.00 73.01 N ATOM 347 CA LYS A 23 2.650 6.948 -1.857 1.00 41.40 C ATOM 348 C LYS A 23 1.384 7.820 -1.907 1.00 21.12 C ATOM 349 O LYS A 23 0.745 8.069 -0.873 1.00 41.51 O ATOM 350 CB LYS A 23 3.890 7.871 -1.914 1.00 72.33 C ATOM 351 CG LYS A 23 5.217 7.197 -1.550 1.00 13.43 C ATOM 352 CD LYS A 23 6.418 8.135 -1.786 1.00 5.02 C ATOM 353 CE LYS A 23 7.731 7.544 -1.281 1.00 54.44 C ATOM 354 NZ LYS A 23 8.908 8.332 -1.741 1.00 74.42 N ATOM 0 H LYS A 23 3.495 6.051 -3.578 1.00 73.01 H new ATOM 0 HA LYS A 23 2.651 6.380 -0.927 1.00 41.40 H new ATOM 0 HB2 LYS A 23 3.973 8.282 -2.920 1.00 72.33 H new ATOM 0 HB3 LYS A 23 3.730 8.712 -1.239 1.00 72.33 H new ATOM 0 HG2 LYS A 23 5.195 6.891 -0.504 1.00 13.43 H new ATOM 0 HG3 LYS A 23 5.340 6.292 -2.144 1.00 13.43 H new ATOM 0 HD2 LYS A 23 6.505 8.347 -2.852 1.00 5.02 H new ATOM 0 HD3 LYS A 23 6.236 9.086 -1.286 1.00 5.02 H new ATOM 0 HE2 LYS A 23 7.719 7.511 -0.192 1.00 54.44 H new ATOM 0 HE3 LYS A 23 7.824 6.515 -1.630 1.00 54.44 H new ATOM 0 HZ1 LYS A 23 9.761 7.739 -1.697 1.00 74.42 H new ATOM 0 HZ2 LYS A 23 8.755 8.645 -2.721 1.00 74.42 H new ATOM 0 HZ3 LYS A 23 9.031 9.163 -1.127 1.00 74.42 H new ATOM 368 N ARG A 24 1.053 8.279 -3.131 1.00 52.11 N ATOM 369 CA ARG A 24 -0.145 9.093 -3.407 1.00 42.10 C ATOM 370 C ARG A 24 -1.417 8.332 -2.991 1.00 43.33 C ATOM 371 O ARG A 24 -2.347 8.912 -2.421 1.00 55.12 O ATOM 372 CB ARG A 24 -0.207 9.453 -4.914 1.00 53.42 C ATOM 373 CG ARG A 24 -1.370 10.392 -5.307 1.00 44.20 C ATOM 374 CD ARG A 24 -1.459 10.608 -6.825 1.00 5.31 C ATOM 375 NE ARG A 24 -1.832 9.379 -7.552 1.00 63.44 N ATOM 376 CZ ARG A 24 -1.400 9.044 -8.786 1.00 52.11 C ATOM 377 NH1 ARG A 24 -0.552 9.835 -9.460 1.00 45.43 N ATOM 378 NH2 ARG A 24 -1.858 7.940 -9.367 1.00 62.11 N ATOM 0 H ARG A 24 1.615 8.093 -3.961 1.00 52.11 H new ATOM 0 HA ARG A 24 -0.084 10.013 -2.826 1.00 42.10 H new ATOM 0 HB2 ARG A 24 0.734 9.923 -5.200 1.00 53.42 H new ATOM 0 HB3 ARG A 24 -0.291 8.532 -5.490 1.00 53.42 H new ATOM 0 HG2 ARG A 24 -2.310 9.973 -4.946 1.00 44.20 H new ATOM 0 HG3 ARG A 24 -1.239 11.355 -4.813 1.00 44.20 H new ATOM 0 HD2 ARG A 24 -2.192 11.387 -7.035 1.00 5.31 H new ATOM 0 HD3 ARG A 24 -0.498 10.967 -7.194 1.00 5.31 H new ATOM 0 HE ARG A 24 -2.467 8.731 -7.085 1.00 63.44 H new ATOM 0 HH11 ARG A 24 -0.224 10.705 -9.041 1.00 45.43 H new ATOM 0 HH12 ARG A 24 -0.236 9.567 -10.392 1.00 45.43 H new ATOM 0 HH21 ARG A 24 -2.533 7.350 -8.880 1.00 62.11 H new ATOM 0 HH22 ARG A 24 -1.535 7.683 -10.299 1.00 62.11 H new ATOM 392 N VAL A 25 -1.418 7.016 -3.267 1.00 35.43 N ATOM 393 CA VAL A 25 -2.503 6.110 -2.886 1.00 45.23 C ATOM 394 C VAL A 25 -2.597 5.986 -1.360 1.00 51.32 C ATOM 395 O VAL A 25 -3.663 6.234 -0.795 1.00 22.11 O ATOM 396 CB VAL A 25 -2.320 4.693 -3.533 1.00 23.24 C ATOM 397 CG1 VAL A 25 -3.256 3.653 -2.881 1.00 71.31 C ATOM 398 CG2 VAL A 25 -2.516 4.755 -5.068 1.00 4.01 C ATOM 0 H VAL A 25 -0.658 6.553 -3.765 1.00 35.43 H new ATOM 0 HA VAL A 25 -3.433 6.537 -3.262 1.00 45.23 H new ATOM 0 HB VAL A 25 -1.297 4.368 -3.345 1.00 23.24 H new ATOM 0 HG11 VAL A 25 -3.105 2.682 -3.352 1.00 71.31 H new ATOM 0 HG12 VAL A 25 -3.033 3.579 -1.817 1.00 71.31 H new ATOM 0 HG13 VAL A 25 -4.293 3.963 -3.013 1.00 71.31 H new ATOM 0 HG21 VAL A 25 -2.384 3.760 -5.492 1.00 4.01 H new ATOM 0 HG22 VAL A 25 -3.520 5.115 -5.292 1.00 4.01 H new ATOM 0 HG23 VAL A 25 -1.782 5.434 -5.501 1.00 4.01 H new ATOM 408 N ILE A 26 -1.450 5.655 -0.717 1.00 10.42 N ATOM 409 CA ILE A 26 -1.373 5.376 0.732 1.00 53.31 C ATOM 410 C ILE A 26 -1.969 6.532 1.532 1.00 55.40 C ATOM 411 O ILE A 26 -2.795 6.313 2.402 1.00 30.32 O ATOM 412 CB ILE A 26 0.111 5.118 1.212 1.00 14.02 C ATOM 413 CG1 ILE A 26 0.731 3.899 0.465 1.00 32.33 C ATOM 414 CG2 ILE A 26 0.192 4.917 2.754 1.00 31.52 C ATOM 415 CD1 ILE A 26 2.240 3.794 0.589 1.00 23.40 C ATOM 0 H ILE A 26 -0.552 5.575 -1.193 1.00 10.42 H new ATOM 0 HA ILE A 26 -1.949 4.468 0.910 1.00 53.31 H new ATOM 0 HB ILE A 26 0.692 6.007 0.966 1.00 14.02 H new ATOM 0 HG12 ILE A 26 0.282 2.984 0.851 1.00 32.33 H new ATOM 0 HG13 ILE A 26 0.468 3.962 -0.591 1.00 32.33 H new ATOM 0 HG21 ILE A 26 1.228 4.742 3.044 1.00 31.52 H new ATOM 0 HG22 ILE A 26 -0.180 5.809 3.257 1.00 31.52 H new ATOM 0 HG23 ILE A 26 -0.415 4.058 3.041 1.00 31.52 H new ATOM 0 HD11 ILE A 26 2.590 2.919 0.041 1.00 23.40 H new ATOM 0 HD12 ILE A 26 2.702 4.690 0.176 1.00 23.40 H new ATOM 0 HD13 ILE A 26 2.513 3.697 1.640 1.00 23.40 H new ATOM 427 N ASP A 27 -1.589 7.762 1.145 1.00 32.34 N ATOM 428 CA ASP A 27 -1.977 8.994 1.852 1.00 65.40 C ATOM 429 C ASP A 27 -3.460 9.341 1.622 1.00 50.32 C ATOM 430 O ASP A 27 -4.151 9.745 2.560 1.00 52.04 O ATOM 431 CB ASP A 27 -1.057 10.163 1.420 1.00 14.12 C ATOM 432 CG ASP A 27 -1.283 11.429 2.264 1.00 2.14 C ATOM 433 OD1 ASP A 27 -0.910 11.425 3.454 1.00 22.05 O ATOM 434 OD2 ASP A 27 -1.830 12.423 1.756 1.00 74.12 O ATOM 0 H ASP A 27 -1.001 7.930 0.329 1.00 32.34 H new ATOM 0 HA ASP A 27 -1.853 8.825 2.922 1.00 65.40 H new ATOM 0 HB2 ASP A 27 -0.016 9.853 1.506 1.00 14.12 H new ATOM 0 HB3 ASP A 27 -1.235 10.393 0.370 1.00 14.12 H new ATOM 439 N GLU A 28 -3.950 9.134 0.382 1.00 40.21 N ATOM 440 CA GLU A 28 -5.361 9.412 0.014 1.00 33.02 C ATOM 441 C GLU A 28 -6.324 8.376 0.623 1.00 33.32 C ATOM 442 O GLU A 28 -7.500 8.678 0.839 1.00 44.11 O ATOM 443 CB GLU A 28 -5.530 9.468 -1.525 1.00 41.21 C ATOM 444 CG GLU A 28 -5.035 10.772 -2.184 1.00 10.11 C ATOM 445 CD GLU A 28 -5.909 11.996 -1.842 1.00 1.32 C ATOM 446 OE1 GLU A 28 -6.945 12.207 -2.513 1.00 31.45 O ATOM 447 OE2 GLU A 28 -5.570 12.755 -0.911 1.00 14.42 O ATOM 0 H GLU A 28 -3.388 8.773 -0.389 1.00 40.21 H new ATOM 0 HA GLU A 28 -5.617 10.387 0.428 1.00 33.02 H new ATOM 0 HB2 GLU A 28 -4.993 8.628 -1.966 1.00 41.21 H new ATOM 0 HB3 GLU A 28 -6.585 9.334 -1.766 1.00 41.21 H new ATOM 0 HG2 GLU A 28 -4.010 10.965 -1.867 1.00 10.11 H new ATOM 0 HG3 GLU A 28 -5.014 10.640 -3.266 1.00 10.11 H new ATOM 454 N VAL A 29 -5.820 7.156 0.872 1.00 71.34 N ATOM 455 CA VAL A 29 -6.567 6.107 1.587 1.00 63.21 C ATOM 456 C VAL A 29 -6.469 6.352 3.107 1.00 22.33 C ATOM 457 O VAL A 29 -7.454 6.211 3.831 1.00 5.41 O ATOM 458 CB VAL A 29 -6.033 4.661 1.221 1.00 2.31 C ATOM 459 CG1 VAL A 29 -6.722 3.557 2.053 1.00 22.33 C ATOM 460 CG2 VAL A 29 -6.192 4.371 -0.289 1.00 50.21 C ATOM 0 H VAL A 29 -4.885 6.869 0.584 1.00 71.34 H new ATOM 0 HA VAL A 29 -7.611 6.155 1.278 1.00 63.21 H new ATOM 0 HB VAL A 29 -4.972 4.649 1.469 1.00 2.31 H new ATOM 0 HG11 VAL A 29 -6.323 2.584 1.767 1.00 22.33 H new ATOM 0 HG12 VAL A 29 -6.534 3.729 3.113 1.00 22.33 H new ATOM 0 HG13 VAL A 29 -7.796 3.578 1.867 1.00 22.33 H new ATOM 0 HG21 VAL A 29 -5.817 3.372 -0.509 1.00 50.21 H new ATOM 0 HG22 VAL A 29 -7.245 4.431 -0.562 1.00 50.21 H new ATOM 0 HG23 VAL A 29 -5.626 5.105 -0.862 1.00 50.21 H new ATOM 470 N GLU A 30 -5.274 6.802 3.551 1.00 13.41 N ATOM 471 CA GLU A 30 -4.922 6.951 4.983 1.00 22.41 C ATOM 472 C GLU A 30 -5.825 7.966 5.679 1.00 32.11 C ATOM 473 O GLU A 30 -6.408 7.667 6.718 1.00 22.04 O ATOM 474 CB GLU A 30 -3.434 7.364 5.129 1.00 50.24 C ATOM 475 CG GLU A 30 -2.887 7.400 6.564 1.00 34.21 C ATOM 476 CD GLU A 30 -1.394 7.763 6.599 1.00 51.21 C ATOM 477 OE1 GLU A 30 -0.548 6.892 6.290 1.00 44.23 O ATOM 478 OE2 GLU A 30 -1.057 8.929 6.906 1.00 5.25 O ATOM 0 H GLU A 30 -4.520 7.075 2.921 1.00 13.41 H new ATOM 0 HA GLU A 30 -5.073 5.986 5.466 1.00 22.41 H new ATOM 0 HB2 GLU A 30 -2.826 6.672 4.546 1.00 50.24 H new ATOM 0 HB3 GLU A 30 -3.306 8.352 4.687 1.00 50.24 H new ATOM 0 HG2 GLU A 30 -3.451 8.126 7.149 1.00 34.21 H new ATOM 0 HG3 GLU A 30 -3.035 6.428 7.034 1.00 34.21 H new ATOM 485 N ARG A 31 -5.962 9.141 5.049 1.00 41.13 N ATOM 486 CA ARG A 31 -6.809 10.245 5.544 1.00 12.04 C ATOM 487 C ARG A 31 -8.277 9.791 5.739 1.00 53.04 C ATOM 488 O ARG A 31 -8.967 10.254 6.654 1.00 11.20 O ATOM 489 CB ARG A 31 -6.723 11.452 4.565 1.00 60.03 C ATOM 490 CG ARG A 31 -7.032 11.110 3.088 1.00 54.30 C ATOM 491 CD ARG A 31 -6.897 12.315 2.128 1.00 2.22 C ATOM 492 NE ARG A 31 -7.985 13.289 2.297 1.00 20.31 N ATOM 493 CZ ARG A 31 -8.523 14.052 1.313 1.00 22.03 C ATOM 494 NH1 ARG A 31 -8.076 13.992 0.047 1.00 31.24 N ATOM 495 NH2 ARG A 31 -9.551 14.845 1.601 1.00 4.41 N ATOM 0 H ARG A 31 -5.486 9.358 4.174 1.00 41.13 H new ATOM 0 HA ARG A 31 -6.437 10.554 6.521 1.00 12.04 H new ATOM 0 HB2 ARG A 31 -7.418 12.223 4.898 1.00 60.03 H new ATOM 0 HB3 ARG A 31 -5.722 11.879 4.623 1.00 60.03 H new ATOM 0 HG2 ARG A 31 -6.359 10.318 2.759 1.00 54.30 H new ATOM 0 HG3 ARG A 31 -8.046 10.715 3.020 1.00 54.30 H new ATOM 0 HD2 ARG A 31 -5.941 12.809 2.301 1.00 2.22 H new ATOM 0 HD3 ARG A 31 -6.890 11.957 1.098 1.00 2.22 H new ATOM 0 HE ARG A 31 -8.369 13.401 3.235 1.00 20.31 H new ATOM 0 HH11 ARG A 31 -7.312 13.360 -0.195 1.00 31.24 H new ATOM 0 HH12 ARG A 31 -8.500 14.578 -0.672 1.00 31.24 H new ATOM 0 HH21 ARG A 31 -9.923 14.873 2.550 1.00 4.41 H new ATOM 0 HH22 ARG A 31 -9.967 15.425 0.873 1.00 4.41 H new ATOM 509 N GLU A 32 -8.724 8.848 4.890 1.00 3.30 N ATOM 510 CA GLU A 32 -10.081 8.275 4.953 1.00 73.11 C ATOM 511 C GLU A 32 -10.177 7.200 6.053 1.00 33.04 C ATOM 512 O GLU A 32 -11.179 7.133 6.774 1.00 31.40 O ATOM 513 CB GLU A 32 -10.459 7.684 3.574 1.00 5.14 C ATOM 514 CG GLU A 32 -10.349 8.682 2.406 1.00 2.04 C ATOM 515 CD GLU A 32 -11.158 9.974 2.609 1.00 45.54 C ATOM 516 OE1 GLU A 32 -12.393 9.888 2.777 1.00 15.43 O ATOM 517 OE2 GLU A 32 -10.570 11.079 2.591 1.00 34.13 O ATOM 0 H GLU A 32 -8.153 8.461 4.139 1.00 3.30 H new ATOM 0 HA GLU A 32 -10.785 9.068 5.206 1.00 73.11 H new ATOM 0 HB2 GLU A 32 -9.814 6.830 3.369 1.00 5.14 H new ATOM 0 HB3 GLU A 32 -11.481 7.308 3.621 1.00 5.14 H new ATOM 0 HG2 GLU A 32 -9.300 8.941 2.261 1.00 2.04 H new ATOM 0 HG3 GLU A 32 -10.686 8.194 1.492 1.00 2.04 H new ATOM 524 N VAL A 33 -9.109 6.388 6.178 1.00 71.12 N ATOM 525 CA VAL A 33 -9.013 5.299 7.169 1.00 54.34 C ATOM 526 C VAL A 33 -8.938 5.859 8.601 1.00 2.45 C ATOM 527 O VAL A 33 -9.403 5.222 9.522 1.00 20.53 O ATOM 528 CB VAL A 33 -7.781 4.356 6.861 1.00 32.42 C ATOM 529 CG1 VAL A 33 -7.446 3.396 8.031 1.00 32.24 C ATOM 530 CG2 VAL A 33 -8.021 3.550 5.562 1.00 0.55 C ATOM 0 H VAL A 33 -8.281 6.471 5.588 1.00 71.12 H new ATOM 0 HA VAL A 33 -9.919 4.698 7.093 1.00 54.34 H new ATOM 0 HB VAL A 33 -6.919 5.009 6.729 1.00 32.42 H new ATOM 0 HG11 VAL A 33 -6.592 2.775 7.759 1.00 32.24 H new ATOM 0 HG12 VAL A 33 -7.203 3.977 8.921 1.00 32.24 H new ATOM 0 HG13 VAL A 33 -8.306 2.759 8.237 1.00 32.24 H new ATOM 0 HG21 VAL A 33 -7.162 2.908 5.368 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -8.915 2.936 5.674 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -8.156 4.237 4.727 1.00 0.55 H new ATOM 540 N GLN A 34 -8.384 7.063 8.775 1.00 24.34 N ATOM 541 CA GLN A 34 -8.316 7.712 10.103 1.00 64.24 C ATOM 542 C GLN A 34 -9.714 8.175 10.576 1.00 21.30 C ATOM 543 O GLN A 34 -9.911 8.435 11.763 1.00 61.02 O ATOM 544 CB GLN A 34 -7.315 8.902 10.092 1.00 15.11 C ATOM 545 CG GLN A 34 -5.872 8.523 9.689 1.00 20.42 C ATOM 546 CD GLN A 34 -5.250 7.402 10.539 1.00 12.35 C ATOM 547 OE1 GLN A 34 -5.518 7.272 11.734 1.00 4.32 O ATOM 548 NE2 GLN A 34 -4.422 6.573 9.924 1.00 31.11 N ATOM 0 H GLN A 34 -7.975 7.613 8.019 1.00 24.34 H new ATOM 0 HA GLN A 34 -7.953 6.969 10.813 1.00 64.24 H new ATOM 0 HB2 GLN A 34 -7.683 9.663 9.404 1.00 15.11 H new ATOM 0 HB3 GLN A 34 -7.295 9.352 11.084 1.00 15.11 H new ATOM 0 HG2 GLN A 34 -5.869 8.214 8.644 1.00 20.42 H new ATOM 0 HG3 GLN A 34 -5.242 9.410 9.762 1.00 20.42 H new ATOM 0 HE21 GLN A 34 -4.215 6.701 8.933 1.00 31.11 H new ATOM 0 HE22 GLN A 34 -3.991 5.806 10.441 1.00 31.11 H new ATOM 557 N LYS A 35 -10.672 8.275 9.637 1.00 0.14 N ATOM 558 CA LYS A 35 -12.065 8.656 9.939 1.00 73.45 C ATOM 559 C LYS A 35 -12.955 7.407 10.130 1.00 4.45 C ATOM 560 O LYS A 35 -13.807 7.382 11.022 1.00 71.54 O ATOM 561 CB LYS A 35 -12.622 9.562 8.807 1.00 44.21 C ATOM 562 CG LYS A 35 -11.873 10.910 8.656 1.00 41.24 C ATOM 563 CD LYS A 35 -12.460 11.854 7.570 1.00 74.10 C ATOM 564 CE LYS A 35 -12.182 11.405 6.123 1.00 14.42 C ATOM 565 NZ LYS A 35 -12.931 10.186 5.714 1.00 30.42 N ATOM 0 H LYS A 35 -10.503 8.094 8.647 1.00 0.14 H new ATOM 0 HA LYS A 35 -12.076 9.214 10.875 1.00 73.45 H new ATOM 0 HB2 LYS A 35 -12.569 9.020 7.863 1.00 44.21 H new ATOM 0 HB3 LYS A 35 -13.676 9.763 9.001 1.00 44.21 H new ATOM 0 HG2 LYS A 35 -11.886 11.428 9.615 1.00 41.24 H new ATOM 0 HG3 LYS A 35 -10.829 10.707 8.417 1.00 41.24 H new ATOM 0 HD2 LYS A 35 -13.538 11.929 7.714 1.00 74.10 H new ATOM 0 HD3 LYS A 35 -12.049 12.853 7.713 1.00 74.10 H new ATOM 0 HE2 LYS A 35 -12.436 12.220 5.445 1.00 14.42 H new ATOM 0 HE3 LYS A 35 -11.114 11.218 6.010 1.00 14.42 H new ATOM 0 HZ1 LYS A 35 -12.942 10.117 4.676 1.00 30.42 H new ATOM 0 HZ2 LYS A 35 -12.468 9.344 6.112 1.00 30.42 H new ATOM 0 HZ3 LYS A 35 -13.908 10.244 6.067 1.00 30.42 H new ATOM 579 N GLN A 36 -12.747 6.380 9.286 1.00 51.40 N ATOM 580 CA GLN A 36 -13.547 5.130 9.305 1.00 3.20 C ATOM 581 C GLN A 36 -13.038 4.173 10.397 1.00 62.44 C ATOM 582 O GLN A 36 -13.822 3.505 11.077 1.00 74.02 O ATOM 583 CB GLN A 36 -13.491 4.452 7.912 1.00 55.34 C ATOM 584 CG GLN A 36 -14.006 5.326 6.753 1.00 1.33 C ATOM 585 CD GLN A 36 -15.453 5.803 6.942 1.00 40.15 C ATOM 586 OE1 GLN A 36 -15.707 6.874 7.502 1.00 1.24 O ATOM 587 NE2 GLN A 36 -16.411 5.002 6.499 1.00 21.33 N ATOM 0 H GLN A 36 -12.021 6.388 8.570 1.00 51.40 H new ATOM 0 HA GLN A 36 -14.583 5.378 9.536 1.00 3.20 H new ATOM 0 HB2 GLN A 36 -12.460 4.165 7.703 1.00 55.34 H new ATOM 0 HB3 GLN A 36 -14.077 3.534 7.946 1.00 55.34 H new ATOM 0 HG2 GLN A 36 -13.356 6.195 6.647 1.00 1.33 H new ATOM 0 HG3 GLN A 36 -13.937 4.761 5.824 1.00 1.33 H new ATOM 0 HE21 GLN A 36 -16.170 4.123 6.040 1.00 21.33 H new ATOM 0 HE22 GLN A 36 -17.390 5.264 6.617 1.00 21.33 H new ATOM 596 N TYR A 37 -11.705 4.124 10.540 1.00 52.41 N ATOM 597 CA TYR A 37 -10.996 3.347 11.577 1.00 73.10 C ATOM 598 C TYR A 37 -10.088 4.318 12.388 1.00 31.31 C ATOM 599 O TYR A 37 -8.876 4.376 12.143 1.00 14.34 O ATOM 600 CB TYR A 37 -10.123 2.216 10.935 1.00 75.10 C ATOM 601 CG TYR A 37 -10.814 1.323 9.883 1.00 62.34 C ATOM 602 CD1 TYR A 37 -10.907 1.726 8.544 1.00 70.53 C ATOM 603 CD2 TYR A 37 -11.315 0.058 10.210 1.00 1.55 C ATOM 604 CE1 TYR A 37 -11.508 0.925 7.590 1.00 32.12 C ATOM 605 CE2 TYR A 37 -11.912 -0.746 9.255 1.00 53.31 C ATOM 606 CZ TYR A 37 -11.995 -0.315 7.945 1.00 51.51 C ATOM 607 OH TYR A 37 -12.587 -1.117 6.995 1.00 4.11 O ATOM 0 H TYR A 37 -11.072 4.635 9.925 1.00 52.41 H new ATOM 0 HA TYR A 37 -11.728 2.873 12.232 1.00 73.10 H new ATOM 0 HB2 TYR A 37 -9.253 2.680 10.470 1.00 75.10 H new ATOM 0 HB3 TYR A 37 -9.753 1.575 11.735 1.00 75.10 H new ATOM 0 HD1 TYR A 37 -10.501 2.683 8.251 1.00 70.53 H new ATOM 0 HD2 TYR A 37 -11.234 -0.297 11.227 1.00 1.55 H new ATOM 0 HE1 TYR A 37 -11.596 1.270 6.570 1.00 32.12 H new ATOM 0 HE2 TYR A 37 -12.313 -1.710 9.533 1.00 53.31 H new ATOM 0 HH TYR A 37 -12.575 -0.660 6.128 1.00 4.11 H new ATOM 617 N PRO A 38 -10.653 5.145 13.330 1.00 74.45 N ATOM 618 CA PRO A 38 -9.854 6.143 14.108 1.00 43.23 C ATOM 619 C PRO A 38 -8.813 5.488 15.041 1.00 32.51 C ATOM 620 O PRO A 38 -7.887 6.155 15.526 1.00 22.11 O ATOM 621 CB PRO A 38 -10.932 6.933 14.902 1.00 14.11 C ATOM 622 CG PRO A 38 -12.227 6.628 14.199 1.00 2.14 C ATOM 623 CD PRO A 38 -12.088 5.209 13.704 1.00 61.21 C ATOM 0 HA PRO A 38 -9.251 6.778 13.459 1.00 43.23 H new ATOM 0 HB2 PRO A 38 -10.965 6.619 15.945 1.00 14.11 H new ATOM 0 HB3 PRO A 38 -10.722 8.003 14.898 1.00 14.11 H new ATOM 0 HG2 PRO A 38 -13.075 6.727 14.877 1.00 2.14 H new ATOM 0 HG3 PRO A 38 -12.398 7.318 13.372 1.00 2.14 H new ATOM 0 HD2 PRO A 38 -12.340 4.482 14.476 1.00 61.21 H new ATOM 0 HD3 PRO A 38 -12.740 5.009 12.853 1.00 61.21 H new ATOM 631 N ASN A 39 -9.000 4.186 15.294 1.00 55.30 N ATOM 632 CA ASN A 39 -8.059 3.355 16.060 1.00 51.12 C ATOM 633 C ASN A 39 -6.817 2.998 15.216 1.00 34.34 C ATOM 634 O ASN A 39 -5.697 2.918 15.736 1.00 54.41 O ATOM 635 CB ASN A 39 -8.781 2.063 16.526 1.00 43.23 C ATOM 636 CG ASN A 39 -7.916 1.162 17.419 1.00 34.14 C ATOM 637 OD1 ASN A 39 -7.184 0.304 16.935 1.00 1.23 O ATOM 638 ND2 ASN A 39 -7.986 1.356 18.727 1.00 14.03 N ATOM 0 H ASN A 39 -9.819 3.673 14.969 1.00 55.30 H new ATOM 0 HA ASN A 39 -7.719 3.919 16.928 1.00 51.12 H new ATOM 0 HB2 ASN A 39 -9.685 2.338 17.069 1.00 43.23 H new ATOM 0 HB3 ASN A 39 -9.096 1.497 15.649 1.00 43.23 H new ATOM 0 HD21 ASN A 39 -7.423 0.785 19.358 1.00 14.03 H new ATOM 0 HD22 ASN A 39 -8.603 2.076 19.104 1.00 14.03 H new ATOM 645 N ALA A 40 -7.031 2.803 13.902 1.00 51.32 N ATOM 646 CA ALA A 40 -6.001 2.279 12.991 1.00 75.22 C ATOM 647 C ALA A 40 -5.081 3.391 12.467 1.00 63.44 C ATOM 648 O ALA A 40 -5.532 4.318 11.788 1.00 0.13 O ATOM 649 CB ALA A 40 -6.651 1.537 11.825 1.00 61.23 C ATOM 0 H ALA A 40 -7.920 3.004 13.445 1.00 51.32 H new ATOM 0 HA ALA A 40 -5.385 1.583 13.560 1.00 75.22 H new ATOM 0 HB1 ALA A 40 -5.877 1.155 11.160 1.00 61.23 H new ATOM 0 HB2 ALA A 40 -7.243 0.706 12.208 1.00 61.23 H new ATOM 0 HB3 ALA A 40 -7.298 2.220 11.274 1.00 61.23 H new ATOM 655 N THR A 41 -3.787 3.283 12.794 1.00 45.31 N ATOM 656 CA THR A 41 -2.734 4.182 12.309 1.00 55.24 C ATOM 657 C THR A 41 -1.961 3.485 11.178 1.00 24.33 C ATOM 658 O THR A 41 -1.490 2.361 11.359 1.00 31.23 O ATOM 659 CB THR A 41 -1.757 4.541 13.479 1.00 75.42 C ATOM 660 OG1 THR A 41 -2.516 5.016 14.600 1.00 74.44 O ATOM 661 CG2 THR A 41 -0.717 5.610 13.083 1.00 1.43 C ATOM 0 H THR A 41 -3.437 2.554 13.415 1.00 45.31 H new ATOM 0 HA THR A 41 -3.183 5.101 11.933 1.00 55.24 H new ATOM 0 HB THR A 41 -1.210 3.633 13.733 1.00 75.42 H new ATOM 0 HG1 THR A 41 -1.908 5.240 15.335 1.00 74.44 H new ATOM 0 HG21 THR A 41 -0.068 5.818 13.933 1.00 1.43 H new ATOM 0 HG22 THR A 41 -0.118 5.243 12.250 1.00 1.43 H new ATOM 0 HG23 THR A 41 -1.230 6.525 12.786 1.00 1.43 H new ATOM 669 N ILE A 42 -1.858 4.138 10.008 1.00 22.20 N ATOM 670 CA ILE A 42 -1.092 3.609 8.866 1.00 51.43 C ATOM 671 C ILE A 42 0.297 4.269 8.840 1.00 74.22 C ATOM 672 O ILE A 42 0.428 5.479 9.058 1.00 51.34 O ATOM 673 CB ILE A 42 -1.826 3.853 7.492 1.00 74.25 C ATOM 674 CG1 ILE A 42 -3.267 3.272 7.523 1.00 60.21 C ATOM 675 CG2 ILE A 42 -1.021 3.268 6.300 1.00 1.20 C ATOM 676 CD1 ILE A 42 -4.059 3.517 6.253 1.00 33.14 C ATOM 0 H ILE A 42 -2.299 5.040 9.828 1.00 22.20 H new ATOM 0 HA ILE A 42 -0.998 2.531 8.995 1.00 51.43 H new ATOM 0 HB ILE A 42 -1.893 4.931 7.345 1.00 74.25 H new ATOM 0 HG12 ILE A 42 -3.211 2.198 7.702 1.00 60.21 H new ATOM 0 HG13 ILE A 42 -3.805 3.708 8.364 1.00 60.21 H new ATOM 0 HG21 ILE A 42 -1.559 3.456 5.371 1.00 1.20 H new ATOM 0 HG22 ILE A 42 -0.041 3.743 6.255 1.00 1.20 H new ATOM 0 HG23 ILE A 42 -0.897 2.194 6.437 1.00 1.20 H new ATOM 0 HD11 ILE A 42 -5.053 3.081 6.354 1.00 33.14 H new ATOM 0 HD12 ILE A 42 -4.149 4.590 6.081 1.00 33.14 H new ATOM 0 HD13 ILE A 42 -3.545 3.056 5.409 1.00 33.14 H new ATOM 688 N THR A 43 1.317 3.446 8.618 1.00 21.23 N ATOM 689 CA THR A 43 2.701 3.861 8.406 1.00 41.43 C ATOM 690 C THR A 43 3.164 3.212 7.093 1.00 34.12 C ATOM 691 O THR A 43 2.700 2.116 6.745 1.00 40.20 O ATOM 692 CB THR A 43 3.595 3.410 9.613 1.00 2.42 C ATOM 693 OG1 THR A 43 3.017 3.891 10.840 1.00 63.55 O ATOM 694 CG2 THR A 43 5.047 3.916 9.508 1.00 30.32 C ATOM 0 H THR A 43 1.199 2.434 8.579 1.00 21.23 H new ATOM 0 HA THR A 43 2.784 4.946 8.340 1.00 41.43 H new ATOM 0 HB THR A 43 3.629 2.321 9.596 1.00 2.42 H new ATOM 0 HG1 THR A 43 3.573 3.609 11.596 1.00 63.55 H new ATOM 0 HG21 THR A 43 5.616 3.572 10.372 1.00 30.32 H new ATOM 0 HG22 THR A 43 5.502 3.529 8.596 1.00 30.32 H new ATOM 0 HG23 THR A 43 5.052 5.006 9.482 1.00 30.32 H new ATOM 702 N ARG A 44 4.034 3.891 6.349 1.00 33.34 N ATOM 703 CA ARG A 44 4.498 3.418 5.034 1.00 24.12 C ATOM 704 C ARG A 44 6.029 3.435 4.989 1.00 43.51 C ATOM 705 O ARG A 44 6.663 4.317 5.577 1.00 33.31 O ATOM 706 CB ARG A 44 3.887 4.275 3.881 1.00 13.50 C ATOM 707 CG ARG A 44 4.385 5.744 3.749 1.00 43.30 C ATOM 708 CD ARG A 44 3.870 6.693 4.853 1.00 21.15 C ATOM 709 NE ARG A 44 2.428 7.008 4.723 1.00 74.32 N ATOM 710 CZ ARG A 44 1.924 8.038 4.002 1.00 42.14 C ATOM 711 NH1 ARG A 44 2.728 8.863 3.329 1.00 2.42 N ATOM 712 NH2 ARG A 44 0.616 8.259 3.989 1.00 51.22 N ATOM 0 H ARG A 44 4.440 4.782 6.634 1.00 33.34 H new ATOM 0 HA ARG A 44 4.157 2.393 4.888 1.00 24.12 H new ATOM 0 HB2 ARG A 44 4.085 3.765 2.939 1.00 13.50 H new ATOM 0 HB3 ARG A 44 2.805 4.295 4.011 1.00 13.50 H new ATOM 0 HG2 ARG A 44 5.475 5.748 3.763 1.00 43.30 H new ATOM 0 HG3 ARG A 44 4.077 6.134 2.779 1.00 43.30 H new ATOM 0 HD2 ARG A 44 4.050 6.239 5.827 1.00 21.15 H new ATOM 0 HD3 ARG A 44 4.442 7.620 4.823 1.00 21.15 H new ATOM 0 HE ARG A 44 1.766 6.405 5.212 1.00 74.32 H new ATOM 0 HH11 ARG A 44 3.738 8.723 3.353 1.00 2.42 H new ATOM 0 HH12 ARG A 44 2.333 9.634 2.791 1.00 2.42 H new ATOM 0 HH21 ARG A 44 -0.009 7.654 4.522 1.00 51.22 H new ATOM 0 HH22 ARG A 44 0.235 9.034 3.447 1.00 51.22 H new ATOM 726 N THR A 45 6.612 2.432 4.322 1.00 21.43 N ATOM 727 CA THR A 45 8.056 2.350 4.078 1.00 24.01 C ATOM 728 C THR A 45 8.278 1.748 2.683 1.00 64.21 C ATOM 729 O THR A 45 8.016 0.563 2.465 1.00 54.33 O ATOM 730 CB THR A 45 8.783 1.492 5.180 1.00 21.24 C ATOM 731 OG1 THR A 45 8.525 2.060 6.479 1.00 61.45 O ATOM 732 CG2 THR A 45 10.312 1.418 4.954 1.00 32.24 C ATOM 0 H THR A 45 6.089 1.647 3.933 1.00 21.43 H new ATOM 0 HA THR A 45 8.485 3.351 4.126 1.00 24.01 H new ATOM 0 HB THR A 45 8.388 0.478 5.117 1.00 21.24 H new ATOM 0 HG1 THR A 45 8.976 1.525 7.165 1.00 61.45 H new ATOM 0 HG21 THR A 45 10.767 0.815 5.740 1.00 32.24 H new ATOM 0 HG22 THR A 45 10.515 0.963 3.985 1.00 32.24 H new ATOM 0 HG23 THR A 45 10.732 2.423 4.978 1.00 32.24 H new ATOM 740 N LEU A 46 8.708 2.587 1.735 1.00 34.43 N ATOM 741 CA LEU A 46 9.021 2.168 0.362 1.00 13.45 C ATOM 742 C LEU A 46 10.520 2.340 0.136 1.00 14.33 C ATOM 743 O LEU A 46 11.111 3.308 0.628 1.00 44.33 O ATOM 744 CB LEU A 46 8.232 2.991 -0.701 1.00 11.34 C ATOM 745 CG LEU A 46 6.667 2.869 -0.693 1.00 15.15 C ATOM 746 CD1 LEU A 46 6.013 3.643 0.467 1.00 4.50 C ATOM 747 CD2 LEU A 46 6.062 3.293 -2.045 1.00 10.01 C ATOM 0 H LEU A 46 8.850 3.584 1.899 1.00 34.43 H new ATOM 0 HA LEU A 46 8.725 1.126 0.244 1.00 13.45 H new ATOM 0 HB2 LEU A 46 8.489 4.042 -0.571 1.00 11.34 H new ATOM 0 HB3 LEU A 46 8.588 2.695 -1.688 1.00 11.34 H new ATOM 0 HG LEU A 46 6.445 1.814 -0.533 1.00 15.15 H new ATOM 0 HD11 LEU A 46 4.931 3.522 0.421 1.00 4.50 H new ATOM 0 HD12 LEU A 46 6.381 3.255 1.417 1.00 4.50 H new ATOM 0 HD13 LEU A 46 6.263 4.701 0.386 1.00 4.50 H new ATOM 0 HD21 LEU A 46 4.977 3.196 -2.004 1.00 10.01 H new ATOM 0 HD22 LEU A 46 6.326 4.330 -2.253 1.00 10.01 H new ATOM 0 HD23 LEU A 46 6.454 2.653 -2.836 1.00 10.01 H new ATOM 759 N THR A 47 11.131 1.397 -0.580 1.00 70.31 N ATOM 760 CA THR A 47 12.535 1.494 -1.002 1.00 34.34 C ATOM 761 C THR A 47 12.651 0.952 -2.427 1.00 63.42 C ATOM 762 O THR A 47 12.267 -0.190 -2.687 1.00 72.50 O ATOM 763 CB THR A 47 13.483 0.694 -0.043 1.00 61.20 C ATOM 764 OG1 THR A 47 13.278 1.106 1.324 1.00 35.21 O ATOM 765 CG2 THR A 47 14.967 0.877 -0.407 1.00 53.42 C ATOM 0 H THR A 47 10.669 0.541 -0.886 1.00 70.31 H new ATOM 0 HA THR A 47 12.844 2.539 -0.965 1.00 34.34 H new ATOM 0 HB THR A 47 13.232 -0.361 -0.158 1.00 61.20 H new ATOM 0 HG1 THR A 47 13.875 0.598 1.912 1.00 35.21 H new ATOM 0 HG21 THR A 47 15.585 0.304 0.285 1.00 53.42 H new ATOM 0 HG22 THR A 47 15.138 0.524 -1.424 1.00 53.42 H new ATOM 0 HG23 THR A 47 15.231 1.933 -0.340 1.00 53.42 H new ATOM 773 N ARG A 48 13.182 1.772 -3.338 1.00 44.41 N ATOM 774 CA ARG A 48 13.314 1.408 -4.753 1.00 11.14 C ATOM 775 C ARG A 48 14.583 0.594 -4.989 1.00 34.44 C ATOM 776 O ARG A 48 15.524 0.597 -4.178 1.00 64.15 O ATOM 777 CB ARG A 48 13.282 2.654 -5.664 1.00 40.42 C ATOM 778 CG ARG A 48 11.966 3.432 -5.579 1.00 32.40 C ATOM 779 CD ARG A 48 11.873 4.565 -6.602 1.00 54.02 C ATOM 780 NE ARG A 48 12.929 5.573 -6.464 1.00 62.32 N ATOM 781 CZ ARG A 48 12.743 6.903 -6.525 1.00 65.52 C ATOM 782 NH1 ARG A 48 11.522 7.428 -6.693 1.00 13.33 N ATOM 783 NH2 ARG A 48 13.795 7.704 -6.444 1.00 31.22 N ATOM 0 H ARG A 48 13.532 2.704 -3.117 1.00 44.41 H new ATOM 0 HA ARG A 48 12.457 0.788 -5.014 1.00 11.14 H new ATOM 0 HB2 ARG A 48 14.105 3.315 -5.393 1.00 40.42 H new ATOM 0 HB3 ARG A 48 13.448 2.345 -6.696 1.00 40.42 H new ATOM 0 HG2 ARG A 48 11.134 2.745 -5.730 1.00 32.40 H new ATOM 0 HG3 ARG A 48 11.859 3.846 -4.576 1.00 32.40 H new ATOM 0 HD2 ARG A 48 11.917 4.141 -7.605 1.00 54.02 H new ATOM 0 HD3 ARG A 48 10.903 5.052 -6.504 1.00 54.02 H new ATOM 0 HE ARG A 48 13.880 5.238 -6.309 1.00 62.32 H new ATOM 0 HH11 ARG A 48 10.711 6.816 -6.777 1.00 13.33 H new ATOM 0 HH12 ARG A 48 11.404 8.440 -6.736 1.00 13.33 H new ATOM 0 HH21 ARG A 48 14.729 7.309 -6.337 1.00 31.22 H new ATOM 0 HH22 ARG A 48 13.671 8.715 -6.489 1.00 31.22 H new ATOM 797 N ASP A 49 14.573 -0.089 -6.120 1.00 10.21 N ATOM 798 CA ASP A 49 15.579 -1.082 -6.505 1.00 5.42 C ATOM 799 C ASP A 49 15.609 -1.174 -8.049 1.00 21.40 C ATOM 800 O ASP A 49 14.753 -0.575 -8.708 1.00 3.35 O ATOM 801 CB ASP A 49 15.204 -2.443 -5.843 1.00 24.40 C ATOM 802 CG ASP A 49 16.230 -3.556 -6.089 1.00 54.03 C ATOM 803 OD1 ASP A 49 17.300 -3.543 -5.452 1.00 51.11 O ATOM 804 OD2 ASP A 49 15.979 -4.456 -6.917 1.00 24.32 O ATOM 0 H ASP A 49 13.844 0.031 -6.823 1.00 10.21 H new ATOM 0 HA ASP A 49 16.576 -0.803 -6.164 1.00 5.42 H new ATOM 0 HB2 ASP A 49 15.093 -2.295 -4.769 1.00 24.40 H new ATOM 0 HB3 ASP A 49 14.234 -2.766 -6.222 1.00 24.40 H new ATOM 809 N ASP A 50 16.588 -1.914 -8.620 1.00 72.15 N ATOM 810 CA ASP A 50 16.716 -2.126 -10.074 1.00 35.02 C ATOM 811 C ASP A 50 15.443 -2.813 -10.640 1.00 61.03 C ATOM 812 O ASP A 50 15.330 -4.045 -10.643 1.00 11.32 O ATOM 813 CB ASP A 50 18.003 -2.954 -10.362 1.00 43.14 C ATOM 814 CG ASP A 50 18.314 -3.097 -11.865 1.00 11.44 C ATOM 815 OD1 ASP A 50 18.965 -2.196 -12.435 1.00 44.40 O ATOM 816 OD2 ASP A 50 17.906 -4.099 -12.482 1.00 51.44 O ATOM 0 H ASP A 50 17.314 -2.382 -8.078 1.00 72.15 H new ATOM 0 HA ASP A 50 16.808 -1.165 -10.579 1.00 35.02 H new ATOM 0 HB2 ASP A 50 18.850 -2.479 -9.867 1.00 43.14 H new ATOM 0 HB3 ASP A 50 17.893 -3.947 -9.925 1.00 43.14 H new ATOM 821 N GLY A 51 14.455 -1.983 -11.026 1.00 4.43 N ATOM 822 CA GLY A 51 13.184 -2.466 -11.587 1.00 72.14 C ATOM 823 C GLY A 51 12.220 -3.027 -10.542 1.00 3.20 C ATOM 824 O GLY A 51 11.329 -3.819 -10.879 1.00 33.21 O ATOM 0 H GLY A 51 14.517 -0.967 -10.958 1.00 4.43 H new ATOM 0 HA2 GLY A 51 12.696 -1.646 -12.114 1.00 72.14 H new ATOM 0 HA3 GLY A 51 13.395 -3.240 -12.325 1.00 72.14 H new ATOM 828 N THR A 52 12.415 -2.647 -9.268 1.00 51.03 N ATOM 829 CA THR A 52 11.564 -3.090 -8.138 1.00 13.54 C ATOM 830 C THR A 52 11.336 -1.941 -7.121 1.00 2.25 C ATOM 831 O THR A 52 12.156 -1.036 -7.002 1.00 21.32 O ATOM 832 CB THR A 52 12.198 -4.349 -7.423 1.00 42.24 C ATOM 833 OG1 THR A 52 12.304 -5.440 -8.362 1.00 41.43 O ATOM 834 CG2 THR A 52 11.402 -4.829 -6.186 1.00 25.35 C ATOM 0 H THR A 52 13.169 -2.021 -8.986 1.00 51.03 H new ATOM 0 HA THR A 52 10.593 -3.375 -8.543 1.00 13.54 H new ATOM 0 HB THR A 52 13.180 -4.035 -7.069 1.00 42.24 H new ATOM 0 HG1 THR A 52 12.699 -6.218 -7.916 1.00 41.43 H new ATOM 0 HG21 THR A 52 11.897 -5.696 -5.748 1.00 25.35 H new ATOM 0 HG22 THR A 52 11.356 -4.027 -5.449 1.00 25.35 H new ATOM 0 HG23 THR A 52 10.391 -5.103 -6.488 1.00 25.35 H new ATOM 842 N VAL A 53 10.175 -1.975 -6.435 1.00 44.13 N ATOM 843 CA VAL A 53 9.888 -1.162 -5.235 1.00 53.22 C ATOM 844 C VAL A 53 9.411 -2.116 -4.132 1.00 32.30 C ATOM 845 O VAL A 53 8.434 -2.847 -4.332 1.00 64.42 O ATOM 846 CB VAL A 53 8.775 -0.064 -5.483 1.00 61.53 C ATOM 847 CG1 VAL A 53 8.533 0.803 -4.223 1.00 70.31 C ATOM 848 CG2 VAL A 53 9.121 0.812 -6.699 1.00 72.11 C ATOM 0 H VAL A 53 9.398 -2.578 -6.704 1.00 44.13 H new ATOM 0 HA VAL A 53 10.798 -0.631 -4.957 1.00 53.22 H new ATOM 0 HB VAL A 53 7.845 -0.589 -5.700 1.00 61.53 H new ATOM 0 HG11 VAL A 53 7.762 1.544 -4.434 1.00 70.31 H new ATOM 0 HG12 VAL A 53 8.208 0.166 -3.400 1.00 70.31 H new ATOM 0 HG13 VAL A 53 9.458 1.309 -3.947 1.00 70.31 H new ATOM 0 HG21 VAL A 53 8.339 1.557 -6.845 1.00 72.11 H new ATOM 0 HG22 VAL A 53 10.073 1.314 -6.527 1.00 72.11 H new ATOM 0 HG23 VAL A 53 9.197 0.186 -7.588 1.00 72.11 H new ATOM 858 N GLU A 54 10.105 -2.128 -2.989 1.00 73.22 N ATOM 859 CA GLU A 54 9.682 -2.891 -1.812 1.00 23.13 C ATOM 860 C GLU A 54 8.750 -1.999 -0.981 1.00 44.05 C ATOM 861 O GLU A 54 9.202 -1.022 -0.373 1.00 72.24 O ATOM 862 CB GLU A 54 10.903 -3.336 -0.966 1.00 33.53 C ATOM 863 CG GLU A 54 10.539 -4.176 0.287 1.00 31.04 C ATOM 864 CD GLU A 54 11.746 -4.464 1.188 1.00 73.31 C ATOM 865 OE1 GLU A 54 12.501 -5.417 0.912 1.00 1.54 O ATOM 866 OE2 GLU A 54 11.963 -3.723 2.170 1.00 0.32 O ATOM 0 H GLU A 54 10.973 -1.610 -2.855 1.00 73.22 H new ATOM 0 HA GLU A 54 9.162 -3.796 -2.127 1.00 23.13 H new ATOM 0 HB2 GLU A 54 11.575 -3.918 -1.597 1.00 33.53 H new ATOM 0 HB3 GLU A 54 11.452 -2.450 -0.648 1.00 33.53 H new ATOM 0 HG2 GLU A 54 9.780 -3.647 0.864 1.00 31.04 H new ATOM 0 HG3 GLU A 54 10.097 -5.120 -0.031 1.00 31.04 H new ATOM 873 N LEU A 55 7.456 -2.302 -1.022 1.00 24.13 N ATOM 874 CA LEU A 55 6.435 -1.611 -0.234 1.00 0.11 C ATOM 875 C LEU A 55 6.195 -2.391 1.069 1.00 43.14 C ATOM 876 O LEU A 55 6.009 -3.605 1.044 1.00 30.42 O ATOM 877 CB LEU A 55 5.122 -1.498 -1.056 1.00 74.42 C ATOM 878 CG LEU A 55 3.862 -0.990 -0.289 1.00 5.25 C ATOM 879 CD1 LEU A 55 4.052 0.448 0.211 1.00 23.14 C ATOM 880 CD2 LEU A 55 2.590 -1.129 -1.151 1.00 71.25 C ATOM 0 H LEU A 55 7.080 -3.045 -1.611 1.00 24.13 H new ATOM 0 HA LEU A 55 6.772 -0.604 0.011 1.00 0.11 H new ATOM 0 HB2 LEU A 55 5.303 -0.828 -1.897 1.00 74.42 H new ATOM 0 HB3 LEU A 55 4.895 -2.479 -1.473 1.00 74.42 H new ATOM 0 HG LEU A 55 3.732 -1.622 0.589 1.00 5.25 H new ATOM 0 HD11 LEU A 55 3.156 0.770 0.741 1.00 23.14 H new ATOM 0 HD12 LEU A 55 4.907 0.489 0.886 1.00 23.14 H new ATOM 0 HD13 LEU A 55 4.229 1.108 -0.638 1.00 23.14 H new ATOM 0 HD21 LEU A 55 1.729 -0.767 -0.590 1.00 71.25 H new ATOM 0 HD22 LEU A 55 2.702 -0.542 -2.062 1.00 71.25 H new ATOM 0 HD23 LEU A 55 2.439 -2.177 -1.411 1.00 71.25 H new ATOM 892 N ARG A 56 6.256 -1.688 2.204 1.00 13.01 N ATOM 893 CA ARG A 56 5.919 -2.232 3.527 1.00 42.15 C ATOM 894 C ARG A 56 4.901 -1.300 4.190 1.00 41.41 C ATOM 895 O ARG A 56 5.238 -0.171 4.562 1.00 53.40 O ATOM 896 CB ARG A 56 7.185 -2.396 4.412 1.00 53.31 C ATOM 897 CG ARG A 56 8.197 -3.441 3.890 1.00 65.54 C ATOM 898 CD ARG A 56 9.400 -3.630 4.825 1.00 64.51 C ATOM 899 NE ARG A 56 8.998 -4.057 6.184 1.00 71.34 N ATOM 900 CZ ARG A 56 9.829 -4.562 7.118 1.00 30.33 C ATOM 901 NH1 ARG A 56 11.133 -4.724 6.870 1.00 45.15 N ATOM 902 NH2 ARG A 56 9.347 -4.906 8.311 1.00 52.13 N ATOM 0 H ARG A 56 6.545 -0.710 2.232 1.00 13.01 H new ATOM 0 HA ARG A 56 5.487 -3.226 3.410 1.00 42.15 H new ATOM 0 HB2 ARG A 56 7.686 -1.431 4.491 1.00 53.31 H new ATOM 0 HB3 ARG A 56 6.876 -2.678 5.418 1.00 53.31 H new ATOM 0 HG2 ARG A 56 7.690 -4.397 3.762 1.00 65.54 H new ATOM 0 HG3 ARG A 56 8.553 -3.134 2.906 1.00 65.54 H new ATOM 0 HD2 ARG A 56 10.075 -4.372 4.399 1.00 64.51 H new ATOM 0 HD3 ARG A 56 9.956 -2.695 4.891 1.00 64.51 H new ATOM 0 HE ARG A 56 8.014 -3.962 6.434 1.00 71.34 H new ATOM 0 HH11 ARG A 56 11.515 -4.464 5.961 1.00 45.15 H new ATOM 0 HH12 ARG A 56 11.745 -5.108 7.590 1.00 45.15 H new ATOM 0 HH21 ARG A 56 8.354 -4.787 8.514 1.00 52.13 H new ATOM 0 HH22 ARG A 56 9.970 -5.289 9.022 1.00 52.13 H new ATOM 916 N ILE A 57 3.643 -1.752 4.277 1.00 41.24 N ATOM 917 CA ILE A 57 2.570 -1.033 4.968 1.00 52.02 C ATOM 918 C ILE A 57 2.421 -1.608 6.378 1.00 23.13 C ATOM 919 O ILE A 57 2.195 -2.810 6.545 1.00 33.21 O ATOM 920 CB ILE A 57 1.200 -1.138 4.197 1.00 23.13 C ATOM 921 CG1 ILE A 57 1.294 -0.469 2.797 1.00 64.10 C ATOM 922 CG2 ILE A 57 0.033 -0.533 5.015 1.00 14.32 C ATOM 923 CD1 ILE A 57 1.528 1.029 2.836 1.00 34.04 C ATOM 0 H ILE A 57 3.341 -2.635 3.865 1.00 41.24 H new ATOM 0 HA ILE A 57 2.835 0.023 5.013 1.00 52.02 H new ATOM 0 HB ILE A 57 0.990 -2.198 4.057 1.00 23.13 H new ATOM 0 HG12 ILE A 57 2.104 -0.937 2.237 1.00 64.10 H new ATOM 0 HG13 ILE A 57 0.372 -0.667 2.250 1.00 64.10 H new ATOM 0 HG21 ILE A 57 -0.894 -0.625 4.449 1.00 14.32 H new ATOM 0 HG22 ILE A 57 -0.064 -1.067 5.960 1.00 14.32 H new ATOM 0 HG23 ILE A 57 0.235 0.520 5.213 1.00 14.32 H new ATOM 0 HD11 ILE A 57 1.581 1.416 1.818 1.00 34.04 H new ATOM 0 HD12 ILE A 57 0.707 1.512 3.365 1.00 34.04 H new ATOM 0 HD13 ILE A 57 2.465 1.238 3.352 1.00 34.04 H new ATOM 935 N LYS A 58 2.569 -0.740 7.374 1.00 34.02 N ATOM 936 CA LYS A 58 2.421 -1.078 8.783 1.00 65.35 C ATOM 937 C LYS A 58 1.106 -0.465 9.304 1.00 20.22 C ATOM 938 O LYS A 58 1.021 0.746 9.513 1.00 34.41 O ATOM 939 CB LYS A 58 3.647 -0.536 9.563 1.00 53.54 C ATOM 940 CG LYS A 58 3.571 -0.743 11.084 1.00 4.44 C ATOM 941 CD LYS A 58 4.736 -0.102 11.868 1.00 23.25 C ATOM 942 CE LYS A 58 6.090 -0.756 11.576 1.00 21.54 C ATOM 943 NZ LYS A 58 6.148 -2.177 12.018 1.00 65.10 N ATOM 0 H LYS A 58 2.801 0.241 7.219 1.00 34.02 H new ATOM 0 HA LYS A 58 2.378 -2.158 8.923 1.00 65.35 H new ATOM 0 HB2 LYS A 58 4.547 -1.023 9.186 1.00 53.54 H new ATOM 0 HB3 LYS A 58 3.751 0.529 9.358 1.00 53.54 H new ATOM 0 HG2 LYS A 58 2.631 -0.330 11.449 1.00 4.44 H new ATOM 0 HG3 LYS A 58 3.552 -1.813 11.293 1.00 4.44 H new ATOM 0 HD2 LYS A 58 4.791 0.958 11.622 1.00 23.25 H new ATOM 0 HD3 LYS A 58 4.529 -0.171 12.936 1.00 23.25 H new ATOM 0 HE2 LYS A 58 6.291 -0.704 10.506 1.00 21.54 H new ATOM 0 HE3 LYS A 58 6.877 -0.192 12.076 1.00 21.54 H new ATOM 0 HZ1 LYS A 58 7.060 -2.591 11.737 1.00 65.10 H new ATOM 0 HZ2 LYS A 58 6.051 -2.223 13.052 1.00 65.10 H new ATOM 0 HZ3 LYS A 58 5.374 -2.711 11.574 1.00 65.10 H new ATOM 957 N VAL A 59 0.071 -1.300 9.467 1.00 13.14 N ATOM 958 CA VAL A 59 -1.230 -0.876 10.015 1.00 73.23 C ATOM 959 C VAL A 59 -1.342 -1.337 11.478 1.00 22.31 C ATOM 960 O VAL A 59 -1.431 -2.540 11.750 1.00 3.30 O ATOM 961 CB VAL A 59 -2.450 -1.450 9.192 1.00 11.01 C ATOM 962 CG1 VAL A 59 -3.789 -0.905 9.736 1.00 1.32 C ATOM 963 CG2 VAL A 59 -2.301 -1.154 7.687 1.00 10.32 C ATOM 0 H VAL A 59 0.109 -2.290 9.223 1.00 13.14 H new ATOM 0 HA VAL A 59 -1.273 0.211 9.948 1.00 73.23 H new ATOM 0 HB VAL A 59 -2.453 -2.533 9.315 1.00 11.01 H new ATOM 0 HG11 VAL A 59 -4.613 -1.315 9.152 1.00 1.32 H new ATOM 0 HG12 VAL A 59 -3.903 -1.197 10.780 1.00 1.32 H new ATOM 0 HG13 VAL A 59 -3.797 0.182 9.660 1.00 1.32 H new ATOM 0 HG21 VAL A 59 -3.157 -1.562 7.149 1.00 10.32 H new ATOM 0 HG22 VAL A 59 -2.255 -0.076 7.531 1.00 10.32 H new ATOM 0 HG23 VAL A 59 -1.386 -1.614 7.315 1.00 10.32 H new ATOM 973 N LYS A 60 -1.285 -0.383 12.415 1.00 63.42 N ATOM 974 CA LYS A 60 -1.515 -0.642 13.840 1.00 61.14 C ATOM 975 C LYS A 60 -3.009 -0.448 14.131 1.00 61.04 C ATOM 976 O LYS A 60 -3.499 0.682 14.094 1.00 25.42 O ATOM 977 CB LYS A 60 -0.665 0.328 14.695 1.00 60.05 C ATOM 978 CG LYS A 60 -0.751 0.069 16.207 1.00 32.40 C ATOM 979 CD LYS A 60 0.127 1.034 17.038 1.00 30.30 C ATOM 980 CE LYS A 60 -0.334 2.496 16.931 1.00 32.11 C ATOM 981 NZ LYS A 60 0.543 3.412 17.719 1.00 32.31 N ATOM 0 H LYS A 60 -1.077 0.593 12.205 1.00 63.42 H new ATOM 0 HA LYS A 60 -1.222 -1.661 14.092 1.00 61.14 H new ATOM 0 HB2 LYS A 60 0.377 0.253 14.383 1.00 60.05 H new ATOM 0 HB3 LYS A 60 -0.986 1.350 14.493 1.00 60.05 H new ATOM 0 HG2 LYS A 60 -1.788 0.164 16.528 1.00 32.40 H new ATOM 0 HG3 LYS A 60 -0.447 -0.957 16.412 1.00 32.40 H new ATOM 0 HD2 LYS A 60 0.108 0.727 18.084 1.00 30.30 H new ATOM 0 HD3 LYS A 60 1.161 0.958 16.702 1.00 30.30 H new ATOM 0 HE2 LYS A 60 -0.333 2.802 15.885 1.00 32.11 H new ATOM 0 HE3 LYS A 60 -1.361 2.580 17.287 1.00 32.11 H new ATOM 0 HZ1 LYS A 60 0.200 4.389 17.622 1.00 32.31 H new ATOM 0 HZ2 LYS A 60 0.522 3.136 18.721 1.00 32.31 H new ATOM 0 HZ3 LYS A 60 1.518 3.350 17.363 1.00 32.31 H new ATOM 995 N ALA A 61 -3.718 -1.548 14.414 1.00 35.11 N ATOM 996 CA ALA A 61 -5.186 -1.543 14.585 1.00 23.54 C ATOM 997 C ALA A 61 -5.600 -2.431 15.765 1.00 13.03 C ATOM 998 O ALA A 61 -4.779 -3.167 16.323 1.00 70.31 O ATOM 999 CB ALA A 61 -5.869 -2.006 13.283 1.00 33.22 C ATOM 0 H ALA A 61 -3.295 -2.469 14.532 1.00 35.11 H new ATOM 0 HA ALA A 61 -5.509 -0.526 14.805 1.00 23.54 H new ATOM 0 HB1 ALA A 61 -6.951 -2.000 13.417 1.00 33.22 H new ATOM 0 HB2 ALA A 61 -5.600 -1.330 12.471 1.00 33.22 H new ATOM 0 HB3 ALA A 61 -5.540 -3.016 13.039 1.00 33.22 H new ATOM 1005 N ASP A 62 -6.885 -2.329 16.144 1.00 60.45 N ATOM 1006 CA ASP A 62 -7.513 -3.172 17.181 1.00 13.44 C ATOM 1007 C ASP A 62 -7.379 -4.661 16.828 1.00 73.21 C ATOM 1008 O ASP A 62 -6.962 -5.484 17.652 1.00 0.30 O ATOM 1009 CB ASP A 62 -9.011 -2.781 17.322 1.00 20.02 C ATOM 1010 CG ASP A 62 -9.798 -3.687 18.290 1.00 53.12 C ATOM 1011 OD1 ASP A 62 -9.686 -3.495 19.518 1.00 44.21 O ATOM 1012 OD2 ASP A 62 -10.528 -4.596 17.829 1.00 73.32 O ATOM 0 H ASP A 62 -7.527 -1.650 15.735 1.00 60.45 H new ATOM 0 HA ASP A 62 -7.004 -3.006 18.130 1.00 13.44 H new ATOM 0 HB2 ASP A 62 -9.077 -1.750 17.668 1.00 20.02 H new ATOM 0 HB3 ASP A 62 -9.481 -2.818 16.339 1.00 20.02 H new ATOM 1017 N THR A 63 -7.722 -4.972 15.576 1.00 44.11 N ATOM 1018 CA THR A 63 -7.721 -6.338 15.036 1.00 22.15 C ATOM 1019 C THR A 63 -7.086 -6.357 13.639 1.00 33.45 C ATOM 1020 O THR A 63 -7.316 -5.443 12.829 1.00 42.23 O ATOM 1021 CB THR A 63 -9.182 -6.912 14.982 1.00 43.21 C ATOM 1022 OG1 THR A 63 -10.099 -5.876 14.588 1.00 3.33 O ATOM 1023 CG2 THR A 63 -9.626 -7.507 16.333 1.00 53.33 C ATOM 0 H THR A 63 -8.014 -4.271 14.895 1.00 44.11 H new ATOM 0 HA THR A 63 -7.129 -6.971 15.697 1.00 22.15 H new ATOM 0 HB THR A 63 -9.187 -7.718 14.248 1.00 43.21 H new ATOM 0 HG1 THR A 63 -11.008 -6.240 14.554 1.00 3.33 H new ATOM 0 HG21 THR A 63 -10.642 -7.891 16.245 1.00 53.33 H new ATOM 0 HG22 THR A 63 -8.954 -8.319 16.611 1.00 53.33 H new ATOM 0 HG23 THR A 63 -9.596 -6.732 17.099 1.00 53.33 H new ATOM 1031 N GLU A 64 -6.300 -7.421 13.362 1.00 4.54 N ATOM 1032 CA GLU A 64 -5.583 -7.578 12.085 1.00 23.41 C ATOM 1033 C GLU A 64 -6.546 -7.848 10.930 1.00 15.24 C ATOM 1034 O GLU A 64 -6.196 -7.598 9.784 1.00 21.43 O ATOM 1035 CB GLU A 64 -4.461 -8.657 12.188 1.00 43.52 C ATOM 1036 CG GLU A 64 -4.873 -10.035 12.754 1.00 15.15 C ATOM 1037 CD GLU A 64 -5.687 -10.916 11.786 1.00 11.01 C ATOM 1038 OE1 GLU A 64 -5.145 -11.319 10.742 1.00 73.53 O ATOM 1039 OE2 GLU A 64 -6.864 -11.216 12.071 1.00 21.10 O ATOM 0 H GLU A 64 -6.148 -8.189 14.016 1.00 4.54 H new ATOM 0 HA GLU A 64 -5.089 -6.632 11.865 1.00 23.41 H new ATOM 0 HB2 GLU A 64 -4.043 -8.809 11.193 1.00 43.52 H new ATOM 0 HB3 GLU A 64 -3.661 -8.258 12.812 1.00 43.52 H new ATOM 0 HG2 GLU A 64 -3.973 -10.576 13.045 1.00 15.15 H new ATOM 0 HG3 GLU A 64 -5.458 -9.879 13.660 1.00 15.15 H new ATOM 1046 N GLU A 65 -7.760 -8.356 11.249 1.00 22.23 N ATOM 1047 CA GLU A 65 -8.838 -8.569 10.268 1.00 0.32 C ATOM 1048 C GLU A 65 -9.319 -7.231 9.670 1.00 1.21 C ATOM 1049 O GLU A 65 -9.352 -7.067 8.445 1.00 1.01 O ATOM 1050 CB GLU A 65 -10.019 -9.330 10.925 1.00 1.12 C ATOM 1051 CG GLU A 65 -11.204 -9.580 9.972 1.00 44.32 C ATOM 1052 CD GLU A 65 -12.350 -10.365 10.615 1.00 2.24 C ATOM 1053 OE1 GLU A 65 -13.192 -9.751 11.301 1.00 25.11 O ATOM 1054 OE2 GLU A 65 -12.418 -11.596 10.435 1.00 23.34 O ATOM 0 H GLU A 65 -8.015 -8.629 12.198 1.00 22.23 H new ATOM 0 HA GLU A 65 -8.441 -9.174 9.453 1.00 0.32 H new ATOM 0 HB2 GLU A 65 -9.658 -10.288 11.300 1.00 1.12 H new ATOM 0 HB3 GLU A 65 -10.371 -8.762 11.786 1.00 1.12 H new ATOM 0 HG2 GLU A 65 -11.584 -8.622 9.619 1.00 44.32 H new ATOM 0 HG3 GLU A 65 -10.848 -10.124 9.097 1.00 44.32 H new ATOM 1061 N LYS A 66 -9.675 -6.276 10.548 1.00 41.33 N ATOM 1062 CA LYS A 66 -10.082 -4.914 10.126 1.00 51.15 C ATOM 1063 C LYS A 66 -8.905 -4.171 9.471 1.00 24.03 C ATOM 1064 O LYS A 66 -9.108 -3.300 8.623 1.00 60.33 O ATOM 1065 CB LYS A 66 -10.629 -4.104 11.324 1.00 3.45 C ATOM 1066 CG LYS A 66 -11.891 -4.712 11.974 1.00 60.22 C ATOM 1067 CD LYS A 66 -12.445 -3.836 13.126 1.00 73.51 C ATOM 1068 CE LYS A 66 -12.958 -2.470 12.645 1.00 44.42 C ATOM 1069 NZ LYS A 66 -13.455 -1.627 13.772 1.00 3.11 N ATOM 0 H LYS A 66 -9.691 -6.418 11.558 1.00 41.33 H new ATOM 0 HA LYS A 66 -10.879 -5.017 9.390 1.00 51.15 H new ATOM 0 HB2 LYS A 66 -9.848 -4.022 12.080 1.00 3.45 H new ATOM 0 HB3 LYS A 66 -10.857 -3.092 10.990 1.00 3.45 H new ATOM 0 HG2 LYS A 66 -12.662 -4.838 11.214 1.00 60.22 H new ATOM 0 HG3 LYS A 66 -11.656 -5.705 12.357 1.00 60.22 H new ATOM 0 HD2 LYS A 66 -13.256 -4.369 13.623 1.00 73.51 H new ATOM 0 HD3 LYS A 66 -11.662 -3.683 13.869 1.00 73.51 H new ATOM 0 HE2 LYS A 66 -12.156 -1.945 12.126 1.00 44.42 H new ATOM 0 HE3 LYS A 66 -13.761 -2.619 11.923 1.00 44.42 H new ATOM 0 HZ1 LYS A 66 -13.791 -0.715 13.402 1.00 3.11 H new ATOM 0 HZ2 LYS A 66 -14.238 -2.115 14.252 1.00 3.11 H new ATOM 0 HZ3 LYS A 66 -12.683 -1.462 14.449 1.00 3.11 H new ATOM 1083 N ALA A 67 -7.677 -4.538 9.877 1.00 50.44 N ATOM 1084 CA ALA A 67 -6.445 -4.041 9.253 1.00 13.21 C ATOM 1085 C ALA A 67 -6.249 -4.632 7.838 1.00 20.22 C ATOM 1086 O ALA A 67 -5.733 -3.940 6.962 1.00 42.14 O ATOM 1087 CB ALA A 67 -5.254 -4.339 10.157 1.00 71.12 C ATOM 0 H ALA A 67 -7.514 -5.187 10.647 1.00 50.44 H new ATOM 0 HA ALA A 67 -6.526 -2.961 9.132 1.00 13.21 H new ATOM 0 HB1 ALA A 67 -4.341 -3.969 9.690 1.00 71.12 H new ATOM 0 HB2 ALA A 67 -5.395 -3.847 11.119 1.00 71.12 H new ATOM 0 HB3 ALA A 67 -5.173 -5.415 10.309 1.00 71.12 H new ATOM 1093 N LYS A 68 -6.695 -5.901 7.619 1.00 33.44 N ATOM 1094 CA LYS A 68 -6.664 -6.557 6.280 1.00 22.45 C ATOM 1095 C LYS A 68 -7.559 -5.799 5.285 1.00 3.10 C ATOM 1096 O LYS A 68 -7.231 -5.701 4.099 1.00 73.12 O ATOM 1097 CB LYS A 68 -7.136 -8.047 6.326 1.00 22.32 C ATOM 1098 CG LYS A 68 -6.204 -9.053 7.042 1.00 2.33 C ATOM 1099 CD LYS A 68 -4.754 -9.030 6.508 1.00 55.23 C ATOM 1100 CE LYS A 68 -3.954 -10.291 6.894 1.00 64.52 C ATOM 1101 NZ LYS A 68 -3.874 -10.500 8.364 1.00 75.23 N ATOM 0 H LYS A 68 -7.081 -6.491 8.356 1.00 33.44 H new ATOM 0 HA LYS A 68 -5.623 -6.534 5.957 1.00 22.45 H new ATOM 0 HB2 LYS A 68 -8.110 -8.080 6.814 1.00 22.32 H new ATOM 0 HB3 LYS A 68 -7.281 -8.389 5.301 1.00 22.32 H new ATOM 0 HG2 LYS A 68 -6.194 -8.832 8.109 1.00 2.33 H new ATOM 0 HG3 LYS A 68 -6.610 -10.058 6.928 1.00 2.33 H new ATOM 0 HD2 LYS A 68 -4.773 -8.936 5.422 1.00 55.23 H new ATOM 0 HD3 LYS A 68 -4.243 -8.149 6.895 1.00 55.23 H new ATOM 0 HE2 LYS A 68 -4.417 -11.164 6.433 1.00 64.52 H new ATOM 0 HE3 LYS A 68 -2.945 -10.213 6.488 1.00 64.52 H new ATOM 0 HZ1 LYS A 68 -3.142 -11.208 8.575 1.00 75.23 H new ATOM 0 HZ2 LYS A 68 -3.631 -9.602 8.830 1.00 75.23 H new ATOM 0 HZ3 LYS A 68 -4.793 -10.836 8.717 1.00 75.23 H new ATOM 1115 N SER A 69 -8.693 -5.283 5.791 1.00 40.24 N ATOM 1116 CA SER A 69 -9.615 -4.433 5.016 1.00 12.14 C ATOM 1117 C SER A 69 -8.876 -3.196 4.463 1.00 51.43 C ATOM 1118 O SER A 69 -8.917 -2.924 3.265 1.00 3.05 O ATOM 1119 CB SER A 69 -10.805 -4.003 5.908 1.00 34.14 C ATOM 1120 OG SER A 69 -11.692 -3.136 5.221 1.00 62.15 O ATOM 0 H SER A 69 -8.997 -5.444 6.751 1.00 40.24 H new ATOM 0 HA SER A 69 -9.997 -5.005 4.170 1.00 12.14 H new ATOM 0 HB2 SER A 69 -11.347 -4.888 6.242 1.00 34.14 H new ATOM 0 HB3 SER A 69 -10.428 -3.504 6.801 1.00 34.14 H new ATOM 0 HG SER A 69 -12.005 -2.437 5.832 1.00 62.15 H new ATOM 1126 N ILE A 70 -8.147 -2.518 5.363 1.00 1.13 N ATOM 1127 CA ILE A 70 -7.355 -1.309 5.062 1.00 65.13 C ATOM 1128 C ILE A 70 -6.264 -1.608 4.010 1.00 70.34 C ATOM 1129 O ILE A 70 -6.087 -0.851 3.041 1.00 62.12 O ATOM 1130 CB ILE A 70 -6.706 -0.778 6.389 1.00 42.00 C ATOM 1131 CG1 ILE A 70 -7.820 -0.441 7.429 1.00 44.12 C ATOM 1132 CG2 ILE A 70 -5.779 0.426 6.132 1.00 64.31 C ATOM 1133 CD1 ILE A 70 -7.317 -0.196 8.834 1.00 44.13 C ATOM 0 H ILE A 70 -8.089 -2.799 6.342 1.00 1.13 H new ATOM 0 HA ILE A 70 -8.014 -0.547 4.646 1.00 65.13 H new ATOM 0 HB ILE A 70 -6.077 -1.566 6.803 1.00 42.00 H new ATOM 0 HG12 ILE A 70 -8.359 0.444 7.091 1.00 44.12 H new ATOM 0 HG13 ILE A 70 -8.537 -1.261 7.452 1.00 44.12 H new ATOM 0 HG21 ILE A 70 -5.350 0.763 7.076 1.00 64.31 H new ATOM 0 HG22 ILE A 70 -4.978 0.130 5.454 1.00 64.31 H new ATOM 0 HG23 ILE A 70 -6.352 1.237 5.684 1.00 64.31 H new ATOM 0 HD11 ILE A 70 -8.159 0.031 9.488 1.00 44.13 H new ATOM 0 HD12 ILE A 70 -6.805 -1.087 9.198 1.00 44.13 H new ATOM 0 HD13 ILE A 70 -6.624 0.645 8.831 1.00 44.13 H new ATOM 1145 N ILE A 71 -5.572 -2.748 4.210 1.00 0.23 N ATOM 1146 CA ILE A 71 -4.544 -3.262 3.290 1.00 22.33 C ATOM 1147 C ILE A 71 -5.140 -3.486 1.884 1.00 4.32 C ATOM 1148 O ILE A 71 -4.519 -3.124 0.891 1.00 14.22 O ATOM 1149 CB ILE A 71 -3.906 -4.596 3.849 1.00 20.04 C ATOM 1150 CG1 ILE A 71 -3.139 -4.321 5.186 1.00 71.42 C ATOM 1151 CG2 ILE A 71 -2.987 -5.281 2.807 1.00 51.21 C ATOM 1152 CD1 ILE A 71 -2.646 -5.563 5.912 1.00 33.11 C ATOM 0 H ILE A 71 -5.715 -3.343 5.026 1.00 0.23 H new ATOM 0 HA ILE A 71 -3.752 -2.517 3.211 1.00 22.33 H new ATOM 0 HB ILE A 71 -4.722 -5.289 4.056 1.00 20.04 H new ATOM 0 HG12 ILE A 71 -2.284 -3.681 4.971 1.00 71.42 H new ATOM 0 HG13 ILE A 71 -3.794 -3.764 5.855 1.00 71.42 H new ATOM 0 HG21 ILE A 71 -2.570 -6.193 3.233 1.00 51.21 H new ATOM 0 HG22 ILE A 71 -3.566 -5.528 1.917 1.00 51.21 H new ATOM 0 HG23 ILE A 71 -2.177 -4.604 2.536 1.00 51.21 H new ATOM 0 HD11 ILE A 71 -2.128 -5.269 6.825 1.00 33.11 H new ATOM 0 HD12 ILE A 71 -3.495 -6.198 6.165 1.00 33.11 H new ATOM 0 HD13 ILE A 71 -1.961 -6.113 5.267 1.00 33.11 H new ATOM 1164 N LYS A 72 -6.387 -4.008 1.832 1.00 63.23 N ATOM 1165 CA LYS A 72 -7.088 -4.299 0.567 1.00 34.33 C ATOM 1166 C LYS A 72 -7.470 -2.998 -0.174 1.00 50.40 C ATOM 1167 O LYS A 72 -7.391 -2.944 -1.400 1.00 1.24 O ATOM 1168 CB LYS A 72 -8.339 -5.184 0.836 1.00 40.32 C ATOM 1169 CG LYS A 72 -9.168 -5.562 -0.419 1.00 32.40 C ATOM 1170 CD LYS A 72 -8.354 -6.297 -1.509 1.00 22.34 C ATOM 1171 CE LYS A 72 -7.760 -7.630 -1.033 1.00 23.52 C ATOM 1172 NZ LYS A 72 -8.807 -8.580 -0.579 1.00 23.24 N ATOM 0 H LYS A 72 -6.931 -4.237 2.664 1.00 63.23 H new ATOM 0 HA LYS A 72 -6.410 -4.853 -0.082 1.00 34.33 H new ATOM 0 HB2 LYS A 72 -8.015 -6.102 1.327 1.00 40.32 H new ATOM 0 HB3 LYS A 72 -8.990 -4.661 1.536 1.00 40.32 H new ATOM 0 HG2 LYS A 72 -10.002 -6.194 -0.115 1.00 32.40 H new ATOM 0 HG3 LYS A 72 -9.595 -4.655 -0.847 1.00 32.40 H new ATOM 0 HD2 LYS A 72 -8.997 -6.481 -2.370 1.00 22.34 H new ATOM 0 HD3 LYS A 72 -7.546 -5.648 -1.848 1.00 22.34 H new ATOM 0 HE2 LYS A 72 -7.189 -8.082 -1.844 1.00 23.52 H new ATOM 0 HE3 LYS A 72 -7.062 -7.444 -0.217 1.00 23.52 H new ATOM 0 HZ1 LYS A 72 -8.369 -9.494 -0.347 1.00 23.24 H new ATOM 0 HZ2 LYS A 72 -9.280 -8.198 0.265 1.00 23.24 H new ATOM 0 HZ3 LYS A 72 -9.507 -8.714 -1.337 1.00 23.24 H new ATOM 1186 N LEU A 73 -7.852 -1.948 0.586 1.00 12.14 N ATOM 1187 CA LEU A 73 -8.127 -0.599 0.022 1.00 33.12 C ATOM 1188 C LEU A 73 -6.868 -0.060 -0.691 1.00 33.43 C ATOM 1189 O LEU A 73 -6.948 0.471 -1.804 1.00 41.22 O ATOM 1190 CB LEU A 73 -8.598 0.391 1.136 1.00 70.15 C ATOM 1191 CG LEU A 73 -10.134 0.463 1.431 1.00 21.14 C ATOM 1192 CD1 LEU A 73 -10.751 -0.909 1.754 1.00 45.22 C ATOM 1193 CD2 LEU A 73 -10.414 1.479 2.558 1.00 4.13 C ATOM 0 H LEU A 73 -7.979 -2.005 1.597 1.00 12.14 H new ATOM 0 HA LEU A 73 -8.934 -0.686 -0.705 1.00 33.12 H new ATOM 0 HB2 LEU A 73 -8.089 0.123 2.062 1.00 70.15 H new ATOM 0 HB3 LEU A 73 -8.260 1.391 0.864 1.00 70.15 H new ATOM 0 HG LEU A 73 -10.619 0.803 0.516 1.00 21.14 H new ATOM 0 HD11 LEU A 73 -11.817 -0.792 1.949 1.00 45.22 H new ATOM 0 HD12 LEU A 73 -10.609 -1.580 0.907 1.00 45.22 H new ATOM 0 HD13 LEU A 73 -10.265 -1.328 2.635 1.00 45.22 H new ATOM 0 HD21 LEU A 73 -11.486 1.520 2.753 1.00 4.13 H new ATOM 0 HD22 LEU A 73 -9.891 1.171 3.464 1.00 4.13 H new ATOM 0 HD23 LEU A 73 -10.063 2.465 2.254 1.00 4.13 H new ATOM 1205 N ILE A 74 -5.707 -0.248 -0.035 1.00 54.33 N ATOM 1206 CA ILE A 74 -4.393 0.132 -0.581 1.00 35.32 C ATOM 1207 C ILE A 74 -4.050 -0.727 -1.824 1.00 50.21 C ATOM 1208 O ILE A 74 -3.665 -0.177 -2.848 1.00 62.03 O ATOM 1209 CB ILE A 74 -3.274 0.023 0.530 1.00 14.15 C ATOM 1210 CG1 ILE A 74 -3.629 0.963 1.734 1.00 62.45 C ATOM 1211 CG2 ILE A 74 -1.864 0.337 -0.032 1.00 52.14 C ATOM 1212 CD1 ILE A 74 -2.678 0.900 2.917 1.00 14.13 C ATOM 0 H ILE A 74 -5.656 -0.670 0.892 1.00 54.33 H new ATOM 0 HA ILE A 74 -4.437 1.173 -0.901 1.00 35.32 H new ATOM 0 HB ILE A 74 -3.245 -1.008 0.882 1.00 14.15 H new ATOM 0 HG12 ILE A 74 -3.663 1.991 1.372 1.00 62.45 H new ATOM 0 HG13 ILE A 74 -4.631 0.715 2.083 1.00 62.45 H new ATOM 0 HG21 ILE A 74 -1.127 0.250 0.766 1.00 52.14 H new ATOM 0 HG22 ILE A 74 -1.624 -0.369 -0.827 1.00 52.14 H new ATOM 0 HG23 ILE A 74 -1.849 1.351 -0.431 1.00 52.14 H new ATOM 0 HD11 ILE A 74 -3.016 1.588 3.692 1.00 14.13 H new ATOM 0 HD12 ILE A 74 -2.659 -0.114 3.315 1.00 14.13 H new ATOM 0 HD13 ILE A 74 -1.676 1.181 2.594 1.00 14.13 H new ATOM 1224 N GLU A 75 -4.285 -2.060 -1.740 1.00 73.04 N ATOM 1225 CA GLU A 75 -3.976 -3.030 -2.829 1.00 1.51 C ATOM 1226 C GLU A 75 -4.661 -2.652 -4.151 1.00 40.23 C ATOM 1227 O GLU A 75 -4.015 -2.612 -5.207 1.00 60.04 O ATOM 1228 CB GLU A 75 -4.409 -4.467 -2.436 1.00 74.33 C ATOM 1229 CG GLU A 75 -3.544 -5.139 -1.359 1.00 62.20 C ATOM 1230 CD GLU A 75 -4.086 -6.516 -0.975 1.00 40.33 C ATOM 1231 OE1 GLU A 75 -4.001 -7.448 -1.804 1.00 53.11 O ATOM 1232 OE2 GLU A 75 -4.636 -6.680 0.133 1.00 22.40 O ATOM 0 H GLU A 75 -4.695 -2.497 -0.915 1.00 73.04 H new ATOM 0 HA GLU A 75 -2.896 -2.996 -2.972 1.00 1.51 H new ATOM 0 HB2 GLU A 75 -5.440 -4.435 -2.084 1.00 74.33 H new ATOM 0 HB3 GLU A 75 -4.397 -5.090 -3.330 1.00 74.33 H new ATOM 0 HG2 GLU A 75 -2.522 -5.239 -1.724 1.00 62.20 H new ATOM 0 HG3 GLU A 75 -3.506 -4.503 -0.474 1.00 62.20 H new ATOM 1239 N GLU A 76 -5.972 -2.391 -4.073 1.00 41.45 N ATOM 1240 CA GLU A 76 -6.804 -2.109 -5.251 1.00 2.23 C ATOM 1241 C GLU A 76 -6.363 -0.814 -5.939 1.00 61.15 C ATOM 1242 O GLU A 76 -6.198 -0.773 -7.165 1.00 74.41 O ATOM 1243 CB GLU A 76 -8.301 -2.037 -4.850 1.00 31.13 C ATOM 1244 CG GLU A 76 -8.851 -3.328 -4.216 1.00 34.23 C ATOM 1245 CD GLU A 76 -8.628 -4.583 -5.078 1.00 45.50 C ATOM 1246 OE1 GLU A 76 -9.448 -4.853 -5.979 1.00 21.23 O ATOM 1247 OE2 GLU A 76 -7.634 -5.301 -4.863 1.00 14.55 O ATOM 0 H GLU A 76 -6.486 -2.369 -3.192 1.00 41.45 H new ATOM 0 HA GLU A 76 -6.675 -2.925 -5.962 1.00 2.23 H new ATOM 0 HB2 GLU A 76 -8.438 -1.215 -4.148 1.00 31.13 H new ATOM 0 HB3 GLU A 76 -8.891 -1.801 -5.736 1.00 31.13 H new ATOM 0 HG2 GLU A 76 -8.378 -3.476 -3.245 1.00 34.23 H new ATOM 0 HG3 GLU A 76 -9.919 -3.207 -4.035 1.00 34.23 H new ATOM 1254 N ARG A 77 -6.125 0.223 -5.127 1.00 14.50 N ATOM 1255 CA ARG A 77 -5.797 1.564 -5.616 1.00 14.25 C ATOM 1256 C ARG A 77 -4.355 1.629 -6.171 1.00 73.42 C ATOM 1257 O ARG A 77 -4.148 2.213 -7.232 1.00 70.13 O ATOM 1258 CB ARG A 77 -6.027 2.605 -4.489 1.00 43.32 C ATOM 1259 CG ARG A 77 -7.490 2.803 -4.027 1.00 72.14 C ATOM 1260 CD ARG A 77 -8.343 3.655 -4.983 1.00 73.52 C ATOM 1261 NE ARG A 77 -8.503 3.057 -6.322 1.00 74.44 N ATOM 1262 CZ ARG A 77 -8.504 3.739 -7.486 1.00 1.32 C ATOM 1263 NH1 ARG A 77 -8.354 5.063 -7.501 1.00 43.42 N ATOM 1264 NH2 ARG A 77 -8.669 3.094 -8.637 1.00 20.32 N ATOM 0 H ARG A 77 -6.155 0.154 -4.110 1.00 14.50 H new ATOM 0 HA ARG A 77 -6.461 1.804 -6.447 1.00 14.25 H new ATOM 0 HB2 ARG A 77 -5.432 2.310 -3.624 1.00 43.32 H new ATOM 0 HB3 ARG A 77 -5.642 3.567 -4.828 1.00 43.32 H new ATOM 0 HG2 ARG A 77 -7.959 1.826 -3.913 1.00 72.14 H new ATOM 0 HG3 ARG A 77 -7.488 3.272 -3.043 1.00 72.14 H new ATOM 0 HD2 ARG A 77 -9.328 3.806 -4.541 1.00 73.52 H new ATOM 0 HD3 ARG A 77 -7.886 4.639 -5.086 1.00 73.52 H new ATOM 0 HE ARG A 77 -8.623 2.045 -6.372 1.00 74.44 H new ATOM 0 HH11 ARG A 77 -8.237 5.573 -6.625 1.00 43.42 H new ATOM 0 HH12 ARG A 77 -8.357 5.567 -8.388 1.00 43.42 H new ATOM 0 HH21 ARG A 77 -8.795 2.082 -8.641 1.00 20.32 H new ATOM 0 HH22 ARG A 77 -8.669 3.611 -9.516 1.00 20.32 H new ATOM 1278 N ILE A 78 -3.365 1.000 -5.475 1.00 45.22 N ATOM 1279 CA ILE A 78 -1.947 0.995 -5.940 1.00 23.41 C ATOM 1280 C ILE A 78 -1.824 0.246 -7.273 1.00 53.23 C ATOM 1281 O ILE A 78 -1.157 0.721 -8.184 1.00 61.50 O ATOM 1282 CB ILE A 78 -0.896 0.390 -4.904 1.00 13.44 C ATOM 1283 CG1 ILE A 78 -1.147 -1.122 -4.602 1.00 72.22 C ATOM 1284 CG2 ILE A 78 -0.859 1.207 -3.601 1.00 34.31 C ATOM 1285 CD1 ILE A 78 -0.135 -1.781 -3.666 1.00 5.12 C ATOM 0 H ILE A 78 -3.520 0.496 -4.602 1.00 45.22 H new ATOM 0 HA ILE A 78 -1.690 2.048 -6.052 1.00 23.41 H new ATOM 0 HB ILE A 78 0.080 0.461 -5.384 1.00 13.44 H new ATOM 0 HG12 ILE A 78 -2.141 -1.228 -4.167 1.00 72.22 H new ATOM 0 HG13 ILE A 78 -1.152 -1.667 -5.546 1.00 72.22 H new ATOM 0 HG21 ILE A 78 -0.133 0.768 -2.917 1.00 34.31 H new ATOM 0 HG22 ILE A 78 -0.572 2.235 -3.824 1.00 34.31 H new ATOM 0 HG23 ILE A 78 -1.846 1.198 -3.138 1.00 34.31 H new ATOM 0 HD11 ILE A 78 -0.400 -2.828 -3.522 1.00 5.12 H new ATOM 0 HD12 ILE A 78 0.861 -1.716 -4.103 1.00 5.12 H new ATOM 0 HD13 ILE A 78 -0.143 -1.270 -2.703 1.00 5.12 H new ATOM 1297 N GLU A 79 -2.516 -0.908 -7.380 1.00 1.21 N ATOM 1298 CA GLU A 79 -2.484 -1.746 -8.586 1.00 61.25 C ATOM 1299 C GLU A 79 -3.093 -0.993 -9.780 1.00 13.14 C ATOM 1300 O GLU A 79 -2.507 -0.976 -10.868 1.00 2.50 O ATOM 1301 CB GLU A 79 -3.214 -3.097 -8.358 1.00 2.34 C ATOM 1302 CG GLU A 79 -3.302 -3.961 -9.628 1.00 52.11 C ATOM 1303 CD GLU A 79 -3.948 -5.334 -9.443 1.00 11.34 C ATOM 1304 OE1 GLU A 79 -5.139 -5.404 -9.114 1.00 21.34 O ATOM 1305 OE2 GLU A 79 -3.279 -6.358 -9.690 1.00 62.51 O ATOM 0 H GLU A 79 -3.107 -1.278 -6.636 1.00 1.21 H new ATOM 0 HA GLU A 79 -1.441 -1.969 -8.811 1.00 61.25 H new ATOM 0 HB2 GLU A 79 -2.694 -3.657 -7.581 1.00 2.34 H new ATOM 0 HB3 GLU A 79 -4.221 -2.901 -7.990 1.00 2.34 H new ATOM 0 HG2 GLU A 79 -3.865 -3.412 -10.382 1.00 52.11 H new ATOM 0 HG3 GLU A 79 -2.295 -4.102 -10.022 1.00 52.11 H new ATOM 1312 N GLU A 80 -4.250 -0.348 -9.551 1.00 3.11 N ATOM 1313 CA GLU A 80 -4.956 0.416 -10.593 1.00 24.12 C ATOM 1314 C GLU A 80 -4.103 1.591 -11.093 1.00 61.32 C ATOM 1315 O GLU A 80 -3.703 1.617 -12.264 1.00 52.45 O ATOM 1316 CB GLU A 80 -6.339 0.906 -10.079 1.00 54.42 C ATOM 1317 CG GLU A 80 -7.480 -0.116 -10.251 1.00 45.14 C ATOM 1318 CD GLU A 80 -7.773 -0.437 -11.730 1.00 0.41 C ATOM 1319 OE1 GLU A 80 -8.339 0.433 -12.429 1.00 21.33 O ATOM 1320 OE2 GLU A 80 -7.430 -1.537 -12.215 1.00 4.15 O ATOM 0 H GLU A 80 -4.719 -0.341 -8.645 1.00 3.11 H new ATOM 0 HA GLU A 80 -5.128 -0.250 -11.438 1.00 24.12 H new ATOM 0 HB2 GLU A 80 -6.251 1.160 -9.023 1.00 54.42 H new ATOM 0 HB3 GLU A 80 -6.605 1.822 -10.606 1.00 54.42 H new ATOM 0 HG2 GLU A 80 -7.220 -1.036 -9.728 1.00 45.14 H new ATOM 0 HG3 GLU A 80 -8.384 0.272 -9.782 1.00 45.14 H new ATOM 1327 N GLU A 81 -3.753 2.498 -10.168 1.00 24.45 N ATOM 1328 CA GLU A 81 -3.089 3.776 -10.478 1.00 21.20 C ATOM 1329 C GLU A 81 -1.696 3.577 -11.103 1.00 63.45 C ATOM 1330 O GLU A 81 -1.293 4.353 -11.978 1.00 44.23 O ATOM 1331 CB GLU A 81 -2.980 4.623 -9.186 1.00 53.34 C ATOM 1332 CG GLU A 81 -4.327 5.085 -8.598 1.00 33.51 C ATOM 1333 CD GLU A 81 -5.039 6.117 -9.480 1.00 3.34 C ATOM 1334 OE1 GLU A 81 -4.725 7.325 -9.363 1.00 23.33 O ATOM 1335 OE2 GLU A 81 -5.905 5.741 -10.292 1.00 51.32 O ATOM 0 H GLU A 81 -3.925 2.364 -9.172 1.00 24.45 H new ATOM 0 HA GLU A 81 -3.696 4.297 -11.218 1.00 21.20 H new ATOM 0 HB2 GLU A 81 -2.451 4.041 -8.431 1.00 53.34 H new ATOM 0 HB3 GLU A 81 -2.371 5.502 -9.396 1.00 53.34 H new ATOM 0 HG2 GLU A 81 -4.976 4.219 -8.464 1.00 33.51 H new ATOM 0 HG3 GLU A 81 -4.159 5.513 -7.610 1.00 33.51 H new ATOM 1342 N LEU A 82 -0.972 2.539 -10.644 1.00 22.14 N ATOM 1343 CA LEU A 82 0.404 2.271 -11.097 1.00 52.23 C ATOM 1344 C LEU A 82 0.388 1.804 -12.564 1.00 60.35 C ATOM 1345 O LEU A 82 1.125 2.341 -13.386 1.00 54.15 O ATOM 1346 CB LEU A 82 1.108 1.229 -10.172 1.00 32.41 C ATOM 1347 CG LEU A 82 2.626 1.455 -9.884 1.00 54.33 C ATOM 1348 CD1 LEU A 82 3.181 0.372 -8.939 1.00 13.11 C ATOM 1349 CD2 LEU A 82 3.459 1.556 -11.182 1.00 54.22 C ATOM 0 H LEU A 82 -1.320 1.870 -9.957 1.00 22.14 H new ATOM 0 HA LEU A 82 0.981 3.194 -11.035 1.00 52.23 H new ATOM 0 HB2 LEU A 82 0.580 1.210 -9.218 1.00 32.41 H new ATOM 0 HB3 LEU A 82 0.991 0.243 -10.621 1.00 32.41 H new ATOM 0 HG LEU A 82 2.716 2.417 -9.379 1.00 54.33 H new ATOM 0 HD11 LEU A 82 4.240 0.556 -8.757 1.00 13.11 H new ATOM 0 HD12 LEU A 82 2.640 0.402 -7.993 1.00 13.11 H new ATOM 0 HD13 LEU A 82 3.057 -0.609 -9.397 1.00 13.11 H new ATOM 0 HD21 LEU A 82 4.508 1.713 -10.930 1.00 54.22 H new ATOM 0 HD22 LEU A 82 3.357 0.633 -11.752 1.00 54.22 H new ATOM 0 HD23 LEU A 82 3.100 2.394 -11.780 1.00 54.22 H new ATOM 1361 N ARG A 83 -0.501 0.830 -12.879 1.00 74.11 N ATOM 1362 CA ARG A 83 -0.622 0.258 -14.246 1.00 65.11 C ATOM 1363 C ARG A 83 -1.056 1.309 -15.281 1.00 44.53 C ATOM 1364 O ARG A 83 -0.766 1.165 -16.473 1.00 34.44 O ATOM 1365 CB ARG A 83 -1.593 -0.945 -14.275 1.00 54.33 C ATOM 1366 CG ARG A 83 -1.125 -2.154 -13.438 1.00 73.21 C ATOM 1367 CD ARG A 83 -2.063 -3.368 -13.573 1.00 41.33 C ATOM 1368 NE ARG A 83 -1.760 -4.404 -12.572 1.00 32.13 N ATOM 1369 CZ ARG A 83 -1.187 -5.591 -12.809 1.00 23.25 C ATOM 1370 NH1 ARG A 83 -0.810 -5.943 -14.032 1.00 11.45 N ATOM 1371 NH2 ARG A 83 -1.021 -6.440 -11.807 1.00 40.22 N ATOM 0 H ARG A 83 -1.147 0.422 -12.203 1.00 74.11 H new ATOM 0 HA ARG A 83 0.374 -0.091 -14.519 1.00 65.11 H new ATOM 0 HB2 ARG A 83 -2.568 -0.620 -13.911 1.00 54.33 H new ATOM 0 HB3 ARG A 83 -1.729 -1.263 -15.309 1.00 54.33 H new ATOM 0 HG2 ARG A 83 -0.120 -2.440 -13.750 1.00 73.21 H new ATOM 0 HG3 ARG A 83 -1.063 -1.863 -12.389 1.00 73.21 H new ATOM 0 HD2 ARG A 83 -3.097 -3.043 -13.459 1.00 41.33 H new ATOM 0 HD3 ARG A 83 -1.970 -3.790 -14.574 1.00 41.33 H new ATOM 0 HE ARG A 83 -2.011 -4.198 -11.605 1.00 32.13 H new ATOM 0 HH11 ARG A 83 -0.955 -5.304 -14.814 1.00 11.45 H new ATOM 0 HH12 ARG A 83 -0.375 -6.852 -14.190 1.00 11.45 H new ATOM 0 HH21 ARG A 83 -1.328 -6.187 -10.868 1.00 40.22 H new ATOM 0 HH22 ARG A 83 -0.586 -7.347 -11.974 1.00 40.22 H new ATOM 1385 N LYS A 84 -1.720 2.378 -14.806 1.00 55.21 N ATOM 1386 CA LYS A 84 -2.176 3.497 -15.657 1.00 42.22 C ATOM 1387 C LYS A 84 -0.985 4.325 -16.192 1.00 73.23 C ATOM 1388 O LYS A 84 -1.113 5.010 -17.212 1.00 61.41 O ATOM 1389 CB LYS A 84 -3.179 4.372 -14.857 1.00 72.21 C ATOM 1390 CG LYS A 84 -4.513 3.645 -14.543 1.00 45.14 C ATOM 1391 CD LYS A 84 -5.398 4.391 -13.518 1.00 44.35 C ATOM 1392 CE LYS A 84 -5.889 5.754 -14.010 1.00 1.35 C ATOM 1393 NZ LYS A 84 -6.702 6.454 -12.972 1.00 4.13 N ATOM 0 H LYS A 84 -1.957 2.492 -13.821 1.00 55.21 H new ATOM 0 HA LYS A 84 -2.685 3.095 -16.533 1.00 42.22 H new ATOM 0 HB2 LYS A 84 -2.714 4.683 -13.922 1.00 72.21 H new ATOM 0 HB3 LYS A 84 -3.392 5.279 -15.424 1.00 72.21 H new ATOM 0 HG2 LYS A 84 -5.074 3.516 -15.469 1.00 45.14 H new ATOM 0 HG3 LYS A 84 -4.293 2.648 -14.162 1.00 45.14 H new ATOM 0 HD2 LYS A 84 -6.260 3.770 -13.275 1.00 44.35 H new ATOM 0 HD3 LYS A 84 -4.834 4.529 -12.596 1.00 44.35 H new ATOM 0 HE2 LYS A 84 -5.034 6.373 -14.281 1.00 1.35 H new ATOM 0 HE3 LYS A 84 -6.486 5.622 -14.912 1.00 1.35 H new ATOM 0 HZ1 LYS A 84 -6.594 7.483 -13.082 1.00 4.13 H new ATOM 0 HZ2 LYS A 84 -7.703 6.197 -13.084 1.00 4.13 H new ATOM 0 HZ3 LYS A 84 -6.375 6.171 -12.026 1.00 4.13 H new ATOM 1407 N ARG A 85 0.173 4.239 -15.506 1.00 65.30 N ATOM 1408 CA ARG A 85 1.441 4.847 -15.971 1.00 42.24 C ATOM 1409 C ARG A 85 2.403 3.758 -16.511 1.00 13.25 C ATOM 1410 O ARG A 85 3.104 3.984 -17.502 1.00 45.52 O ATOM 1411 CB ARG A 85 2.109 5.628 -14.800 1.00 31.24 C ATOM 1412 CG ARG A 85 3.556 6.137 -15.067 1.00 32.53 C ATOM 1413 CD ARG A 85 3.666 7.101 -16.277 1.00 13.14 C ATOM 1414 NE ARG A 85 5.068 7.370 -16.637 1.00 64.23 N ATOM 1415 CZ ARG A 85 5.803 6.640 -17.502 1.00 5.34 C ATOM 1416 NH1 ARG A 85 5.295 5.571 -18.122 1.00 55.55 N ATOM 1417 NH2 ARG A 85 7.052 6.990 -17.746 1.00 35.34 N ATOM 0 H ARG A 85 0.258 3.748 -14.616 1.00 65.30 H new ATOM 0 HA ARG A 85 1.222 5.540 -16.783 1.00 42.24 H new ATOM 0 HB2 ARG A 85 1.482 6.485 -14.555 1.00 31.24 H new ATOM 0 HB3 ARG A 85 2.127 4.984 -13.921 1.00 31.24 H new ATOM 0 HG2 ARG A 85 3.923 6.645 -14.175 1.00 32.53 H new ATOM 0 HG3 ARG A 85 4.207 5.280 -15.237 1.00 32.53 H new ATOM 0 HD2 ARG A 85 3.147 6.670 -17.133 1.00 13.14 H new ATOM 0 HD3 ARG A 85 3.165 8.040 -16.040 1.00 13.14 H new ATOM 0 HE ARG A 85 5.520 8.172 -16.198 1.00 64.23 H new ATOM 0 HH11 ARG A 85 4.330 5.290 -17.946 1.00 55.55 H new ATOM 0 HH12 ARG A 85 5.872 5.036 -18.771 1.00 55.55 H new ATOM 0 HH21 ARG A 85 7.453 7.805 -17.282 1.00 35.34 H new ATOM 0 HH22 ARG A 85 7.616 6.445 -18.398 1.00 35.34 H new ATOM 1431 N ASP A 86 2.375 2.559 -15.903 1.00 41.14 N ATOM 1432 CA ASP A 86 3.339 1.482 -16.202 1.00 15.30 C ATOM 1433 C ASP A 86 2.658 0.104 -16.062 1.00 61.21 C ATOM 1434 O ASP A 86 2.485 -0.392 -14.942 1.00 71.31 O ATOM 1435 CB ASP A 86 4.587 1.581 -15.277 1.00 11.40 C ATOM 1436 CG ASP A 86 5.629 0.491 -15.589 1.00 73.51 C ATOM 1437 OD1 ASP A 86 6.129 0.471 -16.731 1.00 12.20 O ATOM 1438 OD2 ASP A 86 5.922 -0.364 -14.720 1.00 22.41 O ATOM 0 H ASP A 86 1.687 2.309 -15.193 1.00 41.14 H new ATOM 0 HA ASP A 86 3.678 1.597 -17.231 1.00 15.30 H new ATOM 0 HB2 ASP A 86 5.045 2.563 -15.392 1.00 11.40 H new ATOM 0 HB3 ASP A 86 4.274 1.495 -14.236 1.00 11.40 H new ATOM 1443 N PRO A 87 2.238 -0.530 -17.196 1.00 55.53 N ATOM 1444 CA PRO A 87 1.539 -1.842 -17.177 1.00 15.22 C ATOM 1445 C PRO A 87 2.447 -3.016 -16.736 1.00 53.40 C ATOM 1446 O PRO A 87 1.953 -4.120 -16.494 1.00 13.11 O ATOM 1447 CB PRO A 87 1.047 -2.017 -18.645 1.00 44.24 C ATOM 1448 CG PRO A 87 1.200 -0.661 -19.279 1.00 65.43 C ATOM 1449 CD PRO A 87 2.380 -0.031 -18.586 1.00 23.31 C ATOM 0 HA PRO A 87 0.731 -1.855 -16.446 1.00 15.22 H new ATOM 0 HB2 PRO A 87 1.638 -2.766 -19.171 1.00 44.24 H new ATOM 0 HB3 PRO A 87 0.010 -2.351 -18.675 1.00 44.24 H new ATOM 0 HG2 PRO A 87 1.373 -0.745 -20.352 1.00 65.43 H new ATOM 0 HG3 PRO A 87 0.300 -0.061 -19.147 1.00 65.43 H new ATOM 0 HD2 PRO A 87 3.325 -0.338 -19.033 1.00 23.31 H new ATOM 0 HD3 PRO A 87 2.345 1.057 -18.632 1.00 23.31 H new ATOM 1457 N ASN A 88 3.768 -2.764 -16.621 1.00 32.12 N ATOM 1458 CA ASN A 88 4.759 -3.785 -16.195 1.00 31.30 C ATOM 1459 C ASN A 88 4.677 -4.046 -14.683 1.00 32.12 C ATOM 1460 O ASN A 88 5.206 -5.054 -14.192 1.00 20.45 O ATOM 1461 CB ASN A 88 6.191 -3.345 -16.579 1.00 3.54 C ATOM 1462 CG ASN A 88 6.376 -3.149 -18.088 1.00 51.32 C ATOM 1463 OD1 ASN A 88 6.736 -4.079 -18.818 1.00 25.02 O ATOM 1464 ND2 ASN A 88 6.130 -1.940 -18.570 1.00 31.53 N ATOM 0 H ASN A 88 4.180 -1.852 -16.819 1.00 32.12 H new ATOM 0 HA ASN A 88 4.521 -4.713 -16.715 1.00 31.30 H new ATOM 0 HB2 ASN A 88 6.428 -2.413 -16.066 1.00 3.54 H new ATOM 0 HB3 ASN A 88 6.901 -4.093 -16.226 1.00 3.54 H new ATOM 0 HD21 ASN A 88 6.236 -1.757 -19.568 1.00 31.53 H new ATOM 0 HD22 ASN A 88 5.834 -1.192 -17.943 1.00 31.53 H new ATOM 1471 N ALA A 89 4.015 -3.121 -13.964 1.00 72.31 N ATOM 1472 CA ALA A 89 3.812 -3.203 -12.514 1.00 61.25 C ATOM 1473 C ALA A 89 2.977 -4.439 -12.103 1.00 53.44 C ATOM 1474 O ALA A 89 1.748 -4.447 -12.239 1.00 43.14 O ATOM 1475 CB ALA A 89 3.151 -1.913 -12.015 1.00 22.54 C ATOM 0 H ALA A 89 3.603 -2.287 -14.383 1.00 72.31 H new ATOM 0 HA ALA A 89 4.790 -3.319 -12.047 1.00 61.25 H new ATOM 0 HB1 ALA A 89 3.000 -1.975 -10.937 1.00 22.54 H new ATOM 0 HB2 ALA A 89 3.794 -1.063 -12.244 1.00 22.54 H new ATOM 0 HB3 ALA A 89 2.188 -1.783 -12.509 1.00 22.54 H new ATOM 1481 N THR A 90 3.675 -5.494 -11.654 1.00 34.05 N ATOM 1482 CA THR A 90 3.074 -6.677 -11.026 1.00 2.21 C ATOM 1483 C THR A 90 3.440 -6.654 -9.538 1.00 21.43 C ATOM 1484 O THR A 90 4.624 -6.580 -9.191 1.00 54.22 O ATOM 1485 CB THR A 90 3.601 -7.998 -11.672 1.00 20.43 C ATOM 1486 OG1 THR A 90 3.386 -7.951 -13.088 1.00 72.21 O ATOM 1487 CG2 THR A 90 2.914 -9.254 -11.081 1.00 22.41 C ATOM 0 H THR A 90 4.691 -5.548 -11.719 1.00 34.05 H new ATOM 0 HA THR A 90 1.994 -6.650 -11.168 1.00 2.21 H new ATOM 0 HB THR A 90 4.666 -8.075 -11.451 1.00 20.43 H new ATOM 0 HG1 THR A 90 3.717 -8.778 -13.497 1.00 72.21 H new ATOM 0 HG21 THR A 90 3.313 -10.147 -11.561 1.00 22.41 H new ATOM 0 HG22 THR A 90 3.105 -9.303 -10.009 1.00 22.41 H new ATOM 0 HG23 THR A 90 1.840 -9.197 -11.256 1.00 22.41 H new ATOM 1495 N ILE A 91 2.428 -6.688 -8.674 1.00 15.43 N ATOM 1496 CA ILE A 91 2.624 -6.654 -7.216 1.00 21.30 C ATOM 1497 C ILE A 91 2.587 -8.091 -6.642 1.00 31.02 C ATOM 1498 O ILE A 91 1.800 -8.929 -7.094 1.00 11.54 O ATOM 1499 CB ILE A 91 1.580 -5.708 -6.486 1.00 45.32 C ATOM 1500 CG1 ILE A 91 0.117 -6.278 -6.425 1.00 34.11 C ATOM 1501 CG2 ILE A 91 1.589 -4.294 -7.129 1.00 73.03 C ATOM 1502 CD1 ILE A 91 -0.618 -6.384 -7.750 1.00 74.05 C ATOM 0 H ILE A 91 1.450 -6.740 -8.958 1.00 15.43 H new ATOM 0 HA ILE A 91 3.607 -6.225 -7.023 1.00 21.30 H new ATOM 0 HB ILE A 91 1.912 -5.648 -5.449 1.00 45.32 H new ATOM 0 HG12 ILE A 91 0.154 -7.270 -5.974 1.00 34.11 H new ATOM 0 HG13 ILE A 91 -0.469 -5.646 -5.758 1.00 34.11 H new ATOM 0 HG21 ILE A 91 0.868 -3.657 -6.617 1.00 73.03 H new ATOM 0 HG22 ILE A 91 2.585 -3.860 -7.039 1.00 73.03 H new ATOM 0 HG23 ILE A 91 1.321 -4.372 -8.183 1.00 73.03 H new ATOM 0 HD11 ILE A 91 -1.616 -6.790 -7.581 1.00 74.05 H new ATOM 0 HD12 ILE A 91 -0.700 -5.395 -8.201 1.00 74.05 H new ATOM 0 HD13 ILE A 91 -0.067 -7.044 -8.420 1.00 74.05 H new ATOM 1514 N THR A 92 3.488 -8.381 -5.693 1.00 21.05 N ATOM 1515 CA THR A 92 3.550 -9.675 -4.996 1.00 45.11 C ATOM 1516 C THR A 92 3.350 -9.430 -3.497 1.00 72.34 C ATOM 1517 O THR A 92 4.233 -8.884 -2.834 1.00 65.02 O ATOM 1518 CB THR A 92 4.926 -10.380 -5.254 1.00 21.43 C ATOM 1519 OG1 THR A 92 5.142 -10.510 -6.671 1.00 63.04 O ATOM 1520 CG2 THR A 92 5.006 -11.771 -4.599 1.00 10.24 C ATOM 0 H THR A 92 4.200 -7.719 -5.384 1.00 21.05 H new ATOM 0 HA THR A 92 2.766 -10.331 -5.374 1.00 45.11 H new ATOM 0 HB THR A 92 5.699 -9.758 -4.803 1.00 21.43 H new ATOM 0 HG1 THR A 92 6.003 -10.949 -6.832 1.00 63.04 H new ATOM 0 HG21 THR A 92 5.979 -12.216 -4.808 1.00 10.24 H new ATOM 0 HG22 THR A 92 4.875 -11.674 -3.521 1.00 10.24 H new ATOM 0 HG23 THR A 92 4.221 -12.409 -5.004 1.00 10.24 H new ATOM 1528 N ARG A 93 2.173 -9.798 -2.982 1.00 32.42 N ATOM 1529 CA ARG A 93 1.799 -9.535 -1.588 1.00 22.33 C ATOM 1530 C ARG A 93 2.261 -10.692 -0.679 1.00 42.11 C ATOM 1531 O ARG A 93 1.958 -11.858 -0.945 1.00 71.13 O ATOM 1532 CB ARG A 93 0.265 -9.349 -1.474 1.00 72.51 C ATOM 1533 CG ARG A 93 -0.194 -8.911 -0.071 1.00 13.24 C ATOM 1534 CD ARG A 93 -1.716 -8.919 0.110 1.00 53.50 C ATOM 1535 NE ARG A 93 -2.280 -10.271 0.017 1.00 3.52 N ATOM 1536 CZ ARG A 93 -3.588 -10.574 0.089 1.00 41.22 C ATOM 1537 NH1 ARG A 93 -4.518 -9.621 0.248 1.00 73.53 N ATOM 1538 NH2 ARG A 93 -3.966 -11.843 0.005 1.00 63.54 N ATOM 0 H ARG A 93 1.454 -10.285 -3.517 1.00 32.42 H new ATOM 0 HA ARG A 93 2.292 -8.619 -1.263 1.00 22.33 H new ATOM 0 HB2 ARG A 93 -0.059 -8.606 -2.203 1.00 72.51 H new ATOM 0 HB3 ARG A 93 -0.228 -10.286 -1.734 1.00 72.51 H new ATOM 0 HG2 ARG A 93 0.255 -9.571 0.671 1.00 13.24 H new ATOM 0 HG3 ARG A 93 0.181 -7.907 0.127 1.00 13.24 H new ATOM 0 HD2 ARG A 93 -1.967 -8.489 1.080 1.00 53.50 H new ATOM 0 HD3 ARG A 93 -2.173 -8.284 -0.648 1.00 53.50 H new ATOM 0 HE ARG A 93 -1.627 -11.043 -0.113 1.00 3.52 H new ATOM 0 HH11 ARG A 93 -4.239 -8.642 0.317 1.00 73.53 H new ATOM 0 HH12 ARG A 93 -5.505 -9.875 0.300 1.00 73.53 H new ATOM 0 HH21 ARG A 93 -3.267 -12.577 -0.113 1.00 63.54 H new ATOM 0 HH22 ARG A 93 -4.955 -12.085 0.058 1.00 63.54 H new ATOM 1552 N THR A 94 3.026 -10.357 0.365 1.00 31.41 N ATOM 1553 CA THR A 94 3.432 -11.287 1.426 1.00 72.22 C ATOM 1554 C THR A 94 3.149 -10.630 2.786 1.00 65.12 C ATOM 1555 O THR A 94 3.580 -9.495 3.016 1.00 24.52 O ATOM 1556 CB THR A 94 4.951 -11.629 1.281 1.00 60.10 C ATOM 1557 OG1 THR A 94 5.181 -12.269 0.009 1.00 50.32 O ATOM 1558 CG2 THR A 94 5.478 -12.529 2.415 1.00 33.41 C ATOM 0 H THR A 94 3.388 -9.413 0.500 1.00 31.41 H new ATOM 0 HA THR A 94 2.868 -12.217 1.349 1.00 72.22 H new ATOM 0 HB THR A 94 5.497 -10.688 1.343 1.00 60.10 H new ATOM 0 HG1 THR A 94 6.133 -12.482 -0.083 1.00 50.32 H new ATOM 0 HG21 THR A 94 6.538 -12.730 2.257 1.00 33.41 H new ATOM 0 HG22 THR A 94 5.343 -12.025 3.372 1.00 33.41 H new ATOM 0 HG23 THR A 94 4.927 -13.469 2.419 1.00 33.41 H new ATOM 1566 N VAL A 95 2.411 -11.319 3.676 1.00 62.44 N ATOM 1567 CA VAL A 95 2.127 -10.783 5.017 1.00 14.11 C ATOM 1568 C VAL A 95 3.400 -10.906 5.890 1.00 15.22 C ATOM 1569 O VAL A 95 3.957 -11.997 6.067 1.00 73.31 O ATOM 1570 CB VAL A 95 0.869 -11.463 5.689 1.00 73.52 C ATOM 1571 CG1 VAL A 95 1.079 -12.958 6.026 1.00 64.32 C ATOM 1572 CG2 VAL A 95 0.392 -10.659 6.921 1.00 11.22 C ATOM 0 H VAL A 95 2.006 -12.237 3.493 1.00 62.44 H new ATOM 0 HA VAL A 95 1.863 -9.730 4.923 1.00 14.11 H new ATOM 0 HB VAL A 95 0.077 -11.442 4.941 1.00 73.52 H new ATOM 0 HG11 VAL A 95 0.175 -13.358 6.484 1.00 64.32 H new ATOM 0 HG12 VAL A 95 1.297 -13.510 5.112 1.00 64.32 H new ATOM 0 HG13 VAL A 95 1.913 -13.061 6.720 1.00 64.32 H new ATOM 0 HG21 VAL A 95 -0.475 -11.150 7.363 1.00 11.22 H new ATOM 0 HG22 VAL A 95 1.195 -10.609 7.656 1.00 11.22 H new ATOM 0 HG23 VAL A 95 0.119 -9.650 6.613 1.00 11.22 H new ATOM 1582 N ARG A 96 3.898 -9.757 6.364 1.00 73.32 N ATOM 1583 CA ARG A 96 5.161 -9.672 7.130 1.00 52.12 C ATOM 1584 C ARG A 96 4.921 -9.994 8.626 1.00 53.23 C ATOM 1585 O ARG A 96 5.825 -10.473 9.320 1.00 5.54 O ATOM 1586 CB ARG A 96 5.803 -8.262 6.916 1.00 1.03 C ATOM 1587 CG ARG A 96 7.129 -7.986 7.668 1.00 12.54 C ATOM 1588 CD ARG A 96 8.216 -9.044 7.418 1.00 22.42 C ATOM 1589 NE ARG A 96 8.548 -9.205 5.988 1.00 51.32 N ATOM 1590 CZ ARG A 96 8.702 -10.387 5.353 1.00 22.52 C ATOM 1591 NH1 ARG A 96 8.556 -11.539 6.007 1.00 12.32 N ATOM 1592 NH2 ARG A 96 9.025 -10.411 4.068 1.00 73.33 N ATOM 0 H ARG A 96 3.440 -8.855 6.230 1.00 73.32 H new ATOM 0 HA ARG A 96 5.864 -10.420 6.764 1.00 52.12 H new ATOM 0 HB2 ARG A 96 5.981 -8.126 5.849 1.00 1.03 H new ATOM 0 HB3 ARG A 96 5.077 -7.507 7.217 1.00 1.03 H new ATOM 0 HG2 ARG A 96 7.510 -7.010 7.368 1.00 12.54 H new ATOM 0 HG3 ARG A 96 6.925 -7.934 8.737 1.00 12.54 H new ATOM 0 HD2 ARG A 96 9.117 -8.767 7.965 1.00 22.42 H new ATOM 0 HD3 ARG A 96 7.882 -10.001 7.818 1.00 22.42 H new ATOM 0 HE ARG A 96 8.671 -8.356 5.436 1.00 51.32 H new ATOM 0 HH11 ARG A 96 8.325 -11.536 7.000 1.00 12.32 H new ATOM 0 HH12 ARG A 96 8.675 -12.424 5.514 1.00 12.32 H new ATOM 0 HH21 ARG A 96 9.157 -9.537 3.559 1.00 73.33 H new ATOM 0 HH22 ARG A 96 9.141 -11.303 3.588 1.00 73.33 H new ATOM 1606 N THR A 97 3.693 -9.746 9.115 1.00 11.10 N ATOM 1607 CA THR A 97 3.284 -10.118 10.483 1.00 72.10 C ATOM 1608 C THR A 97 2.357 -11.340 10.454 1.00 13.43 C ATOM 1609 O THR A 97 1.288 -11.307 9.841 1.00 33.13 O ATOM 1610 CB THR A 97 2.561 -8.942 11.204 1.00 63.02 C ATOM 1611 OG1 THR A 97 3.418 -7.789 11.228 1.00 2.22 O ATOM 1612 CG2 THR A 97 2.127 -9.297 12.649 1.00 21.25 C ATOM 0 H THR A 97 2.959 -9.285 8.577 1.00 11.10 H new ATOM 0 HA THR A 97 4.191 -10.360 11.037 1.00 72.10 H new ATOM 0 HB THR A 97 1.653 -8.731 10.639 1.00 63.02 H new ATOM 0 HG1 THR A 97 3.119 -7.174 11.930 1.00 2.22 H new ATOM 0 HG21 THR A 97 1.629 -8.439 13.100 1.00 21.25 H new ATOM 0 HG22 THR A 97 1.441 -10.144 12.625 1.00 21.25 H new ATOM 0 HG23 THR A 97 3.006 -9.558 13.239 1.00 21.25 H new ATOM 1620 N GLU A 98 2.773 -12.404 11.137 1.00 62.44 N ATOM 1621 CA GLU A 98 1.944 -13.587 11.364 1.00 64.55 C ATOM 1622 C GLU A 98 1.420 -13.462 12.799 1.00 41.45 C ATOM 1623 O GLU A 98 2.196 -13.635 13.748 1.00 13.51 O ATOM 1624 CB GLU A 98 2.779 -14.879 11.177 1.00 23.33 C ATOM 1625 CG GLU A 98 1.962 -16.182 11.307 1.00 54.34 C ATOM 1626 CD GLU A 98 2.818 -17.448 11.176 1.00 11.13 C ATOM 1627 OE1 GLU A 98 3.065 -17.901 10.036 1.00 64.31 O ATOM 1628 OE2 GLU A 98 3.260 -17.989 12.213 1.00 24.31 O ATOM 0 H GLU A 98 3.702 -12.471 11.552 1.00 62.44 H new ATOM 0 HA GLU A 98 1.121 -13.648 10.652 1.00 64.55 H new ATOM 0 HB2 GLU A 98 3.250 -14.855 10.195 1.00 23.33 H new ATOM 0 HB3 GLU A 98 3.581 -14.890 11.915 1.00 23.33 H new ATOM 0 HG2 GLU A 98 1.457 -16.191 12.273 1.00 54.34 H new ATOM 0 HG3 GLU A 98 1.186 -16.195 10.541 1.00 54.34 H new ATOM 1635 N VAL A 99 0.123 -13.119 12.940 1.00 25.03 N ATOM 1636 CA VAL A 99 -0.467 -12.700 14.230 1.00 42.34 C ATOM 1637 C VAL A 99 -0.254 -13.766 15.339 1.00 11.12 C ATOM 1638 O VAL A 99 -0.905 -14.817 15.366 1.00 42.23 O ATOM 1639 CB VAL A 99 -1.994 -12.307 14.081 1.00 3.35 C ATOM 1640 CG1 VAL A 99 -2.836 -13.406 13.391 1.00 22.20 C ATOM 1641 CG2 VAL A 99 -2.609 -11.895 15.444 1.00 30.31 C ATOM 0 H VAL A 99 -0.543 -13.124 12.167 1.00 25.03 H new ATOM 0 HA VAL A 99 0.066 -11.802 14.544 1.00 42.34 H new ATOM 0 HB VAL A 99 -2.023 -11.440 13.422 1.00 3.35 H new ATOM 0 HG11 VAL A 99 -3.873 -13.078 13.318 1.00 22.20 H new ATOM 0 HG12 VAL A 99 -2.443 -13.592 12.391 1.00 22.20 H new ATOM 0 HG13 VAL A 99 -2.786 -14.324 13.977 1.00 22.20 H new ATOM 0 HG21 VAL A 99 -3.658 -11.632 15.305 1.00 30.31 H new ATOM 0 HG22 VAL A 99 -2.533 -12.727 16.144 1.00 30.31 H new ATOM 0 HG23 VAL A 99 -2.069 -11.036 15.842 1.00 30.31 H new ATOM 1651 N GLY A 100 0.726 -13.483 16.216 1.00 22.14 N ATOM 1652 CA GLY A 100 1.069 -14.355 17.338 1.00 3.21 C ATOM 1653 C GLY A 100 0.176 -14.123 18.544 1.00 63.52 C ATOM 1654 O GLY A 100 -0.927 -13.569 18.412 1.00 31.10 O ATOM 0 H GLY A 100 1.299 -12.641 16.161 1.00 22.14 H new ATOM 0 HA2 GLY A 100 0.988 -15.396 17.024 1.00 3.21 H new ATOM 0 HA3 GLY A 100 2.108 -14.187 17.621 1.00 3.21 H new ATOM 1658 N SER A 101 0.667 -14.552 19.728 1.00 64.44 N ATOM 1659 CA SER A 101 -0.111 -14.569 20.984 1.00 41.00 C ATOM 1660 C SER A 101 -1.357 -15.477 20.843 1.00 32.24 C ATOM 1661 O SER A 101 -2.383 -15.253 21.502 1.00 0.32 O ATOM 1662 CB SER A 101 -0.483 -13.127 21.439 1.00 31.04 C ATOM 1663 OG SER A 101 0.679 -12.332 21.619 1.00 71.12 O ATOM 0 H SER A 101 1.620 -14.898 19.838 1.00 64.44 H new ATOM 0 HA SER A 101 0.515 -14.994 21.769 1.00 41.00 H new ATOM 0 HB2 SER A 101 -1.132 -12.664 20.696 1.00 31.04 H new ATOM 0 HB3 SER A 101 -1.046 -13.170 22.372 1.00 31.04 H new ATOM 0 HG SER A 101 0.418 -11.431 21.903 1.00 71.12 H new ATOM 1669 N SER A 102 -1.231 -16.512 19.985 1.00 50.21 N ATOM 1670 CA SER A 102 -2.268 -17.524 19.768 1.00 42.21 C ATOM 1671 C SER A 102 -2.373 -18.416 21.009 1.00 3.35 C ATOM 1672 O SER A 102 -3.466 -18.596 21.566 1.00 11.10 O ATOM 1673 CB SER A 102 -1.924 -18.357 18.509 1.00 43.34 C ATOM 1674 OG SER A 102 -0.594 -18.857 18.570 1.00 53.22 O ATOM 0 H SER A 102 -0.395 -16.663 19.421 1.00 50.21 H new ATOM 0 HA SER A 102 -3.233 -17.043 19.606 1.00 42.21 H new ATOM 0 HB2 SER A 102 -2.624 -19.188 18.417 1.00 43.34 H new ATOM 0 HB3 SER A 102 -2.043 -17.740 17.618 1.00 43.34 H new ATOM 0 HG SER A 102 -0.404 -19.380 17.764 1.00 53.22 H new ATOM 1680 N TRP A 103 -1.205 -18.935 21.448 1.00 54.21 N ATOM 1681 CA TRP A 103 -1.100 -19.788 22.637 1.00 60.25 C ATOM 1682 C TRP A 103 -1.440 -18.980 23.907 1.00 43.32 C ATOM 1683 O TRP A 103 -0.637 -18.169 24.390 1.00 45.34 O ATOM 1684 CB TRP A 103 0.306 -20.444 22.733 1.00 23.53 C ATOM 1685 CG TRP A 103 0.479 -21.437 23.872 1.00 52.13 C ATOM 1686 CD1 TRP A 103 -0.456 -22.313 24.360 1.00 70.03 C ATOM 1687 CD2 TRP A 103 1.675 -21.678 24.634 1.00 32.12 C ATOM 1688 NE1 TRP A 103 0.078 -23.055 25.382 1.00 41.32 N ATOM 1689 CE2 TRP A 103 1.382 -22.690 25.567 1.00 20.41 C ATOM 1690 CE3 TRP A 103 2.962 -21.133 24.618 1.00 42.33 C ATOM 1691 CZ2 TRP A 103 2.327 -23.168 26.472 1.00 52.44 C ATOM 1692 CZ3 TRP A 103 3.898 -21.609 25.518 1.00 4.01 C ATOM 1693 CH2 TRP A 103 3.577 -22.616 26.434 1.00 2.02 C ATOM 0 H TRP A 103 -0.312 -18.770 20.983 1.00 54.21 H new ATOM 0 HA TRP A 103 -1.825 -20.597 22.549 1.00 60.25 H new ATOM 0 HB2 TRP A 103 0.517 -20.953 21.793 1.00 23.53 H new ATOM 0 HB3 TRP A 103 1.051 -19.656 22.843 1.00 23.53 H new ATOM 0 HD1 TRP A 103 -1.467 -22.405 23.992 1.00 70.03 H new ATOM 0 HE1 TRP A 103 -0.419 -23.766 25.919 1.00 41.32 H new ATOM 0 HE3 TRP A 103 3.221 -20.354 23.916 1.00 42.33 H new ATOM 0 HZ2 TRP A 103 2.081 -23.947 27.178 1.00 52.44 H new ATOM 0 HZ3 TRP A 103 4.896 -21.195 25.513 1.00 4.01 H new ATOM 0 HH2 TRP A 103 4.331 -22.964 27.124 1.00 2.02 H new ATOM 1704 N SER A 104 -2.677 -19.180 24.374 1.00 65.55 N ATOM 1705 CA SER A 104 -3.205 -18.589 25.600 1.00 52.41 C ATOM 1706 C SER A 104 -2.951 -19.566 26.748 1.00 65.10 C ATOM 1707 O SER A 104 -3.503 -20.676 26.747 1.00 15.05 O ATOM 1708 CB SER A 104 -4.725 -18.341 25.429 1.00 0.44 C ATOM 1709 OG SER A 104 -4.998 -17.676 24.203 1.00 1.44 O ATOM 0 H SER A 104 -3.353 -19.774 23.894 1.00 65.55 H new ATOM 0 HA SER A 104 -2.717 -17.638 25.814 1.00 52.41 H new ATOM 0 HB2 SER A 104 -5.258 -19.292 25.458 1.00 0.44 H new ATOM 0 HB3 SER A 104 -5.095 -17.743 26.262 1.00 0.44 H new ATOM 0 HG SER A 104 -5.964 -17.532 24.117 1.00 1.44 H new ATOM 1715 N LEU A 105 -2.092 -19.178 27.705 1.00 23.22 N ATOM 1716 CA LEU A 105 -1.785 -20.011 28.878 1.00 3.21 C ATOM 1717 C LEU A 105 -2.858 -19.783 29.958 1.00 11.33 C ATOM 1718 O LEU A 105 -2.591 -19.208 31.020 1.00 72.21 O ATOM 1719 CB LEU A 105 -0.350 -19.736 29.425 1.00 41.15 C ATOM 1720 CG LEU A 105 0.845 -20.082 28.466 1.00 33.22 C ATOM 1721 CD1 LEU A 105 0.978 -19.083 27.301 1.00 11.32 C ATOM 1722 CD2 LEU A 105 2.175 -20.197 29.241 1.00 53.04 C ATOM 0 H LEU A 105 -1.596 -18.287 27.688 1.00 23.22 H new ATOM 0 HA LEU A 105 -1.802 -21.059 28.578 1.00 3.21 H new ATOM 0 HB2 LEU A 105 -0.282 -18.680 29.688 1.00 41.15 H new ATOM 0 HB3 LEU A 105 -0.222 -20.303 30.347 1.00 41.15 H new ATOM 0 HG LEU A 105 0.616 -21.054 28.030 1.00 33.22 H new ATOM 0 HD11 LEU A 105 1.819 -19.370 26.670 1.00 11.32 H new ATOM 0 HD12 LEU A 105 0.062 -19.089 26.710 1.00 11.32 H new ATOM 0 HD13 LEU A 105 1.147 -18.082 27.698 1.00 11.32 H new ATOM 0 HD21 LEU A 105 2.981 -20.437 28.547 1.00 53.04 H new ATOM 0 HD22 LEU A 105 2.392 -19.250 29.735 1.00 53.04 H new ATOM 0 HD23 LEU A 105 2.093 -20.986 29.989 1.00 53.04 H new ATOM 1734 N GLU A 106 -4.095 -20.209 29.637 1.00 2.35 N ATOM 1735 CA GLU A 106 -5.258 -20.059 30.518 1.00 72.32 C ATOM 1736 C GLU A 106 -5.215 -21.150 31.605 1.00 62.54 C ATOM 1737 O GLU A 106 -5.603 -22.306 31.380 1.00 22.42 O ATOM 1738 CB GLU A 106 -6.580 -20.115 29.696 1.00 64.11 C ATOM 1739 CG GLU A 106 -7.855 -19.855 30.523 1.00 25.53 C ATOM 1740 CD GLU A 106 -9.159 -19.994 29.716 1.00 32.03 C ATOM 1741 OE1 GLU A 106 -9.571 -19.027 29.050 1.00 21.40 O ATOM 1742 OE2 GLU A 106 -9.787 -21.069 29.753 1.00 33.41 O ATOM 0 H GLU A 106 -4.311 -20.669 28.753 1.00 2.35 H new ATOM 0 HA GLU A 106 -5.226 -19.084 31.005 1.00 72.32 H new ATOM 0 HB2 GLU A 106 -6.526 -19.380 28.893 1.00 64.11 H new ATOM 0 HB3 GLU A 106 -6.660 -21.095 29.226 1.00 64.11 H new ATOM 0 HG2 GLU A 106 -7.881 -20.552 31.361 1.00 25.53 H new ATOM 0 HG3 GLU A 106 -7.805 -18.851 30.944 1.00 25.53 H new ATOM 1749 N HIS A 107 -4.675 -20.769 32.767 1.00 32.23 N ATOM 1750 CA HIS A 107 -4.513 -21.660 33.924 1.00 54.34 C ATOM 1751 C HIS A 107 -5.527 -21.260 35.013 1.00 63.21 C ATOM 1752 O HIS A 107 -5.462 -20.155 35.578 1.00 50.10 O ATOM 1753 CB HIS A 107 -3.043 -21.627 34.434 1.00 42.35 C ATOM 1754 CG HIS A 107 -2.538 -20.281 34.898 1.00 31.22 C ATOM 1755 ND1 HIS A 107 -2.380 -19.956 36.225 1.00 3.51 N ATOM 1756 CD2 HIS A 107 -2.134 -19.188 34.206 1.00 51.35 C ATOM 1757 CE1 HIS A 107 -1.909 -18.732 36.324 1.00 44.45 C ATOM 1758 NE2 HIS A 107 -1.749 -18.243 35.117 1.00 10.55 N ATOM 0 H HIS A 107 -4.334 -19.822 32.934 1.00 32.23 H new ATOM 0 HA HIS A 107 -4.718 -22.691 33.637 1.00 54.34 H new ATOM 0 HB2 HIS A 107 -2.949 -22.333 35.259 1.00 42.35 H new ATOM 0 HB3 HIS A 107 -2.393 -21.982 33.634 1.00 42.35 H new ATOM 0 HD2 HIS A 107 -2.119 -19.082 33.131 1.00 51.35 H new ATOM 0 HE1 HIS A 107 -1.690 -18.215 37.246 1.00 44.45 H new ATOM 0 HE2 HIS A 107 -1.396 -17.312 34.895 1.00 10.55 H new ATOM 1767 N HIS A 108 -6.506 -22.149 35.254 1.00 12.21 N ATOM 1768 CA HIS A 108 -7.599 -21.910 36.204 1.00 11.20 C ATOM 1769 C HIS A 108 -8.172 -23.238 36.708 1.00 54.04 C ATOM 1770 O HIS A 108 -8.485 -24.136 35.919 1.00 4.42 O ATOM 1771 CB HIS A 108 -8.722 -21.031 35.571 1.00 34.34 C ATOM 1772 CG HIS A 108 -9.425 -21.629 34.369 1.00 34.40 C ATOM 1773 ND1 HIS A 108 -10.790 -21.819 34.304 1.00 20.41 N ATOM 1774 CD2 HIS A 108 -8.949 -22.016 33.162 1.00 54.30 C ATOM 1775 CE1 HIS A 108 -11.110 -22.310 33.124 1.00 41.03 C ATOM 1776 NE2 HIS A 108 -10.017 -22.434 32.410 1.00 40.12 N ATOM 0 H HIS A 108 -6.559 -23.057 34.792 1.00 12.21 H new ATOM 0 HA HIS A 108 -7.189 -21.363 37.053 1.00 11.20 H new ATOM 0 HB2 HIS A 108 -9.468 -20.820 36.337 1.00 34.34 H new ATOM 0 HB3 HIS A 108 -8.288 -20.076 35.277 1.00 34.34 H new ATOM 0 HD2 HIS A 108 -7.916 -21.999 32.848 1.00 54.30 H new ATOM 0 HE1 HIS A 108 -12.107 -22.568 32.799 1.00 41.03 H new ATOM 0 HE2 HIS A 108 -9.969 -22.784 31.453 1.00 40.12 H new ATOM 1785 N HIS A 109 -8.259 -23.347 38.032 1.00 2.51 N ATOM 1786 CA HIS A 109 -8.966 -24.414 38.732 1.00 64.12 C ATOM 1787 C HIS A 109 -9.413 -23.846 40.084 1.00 22.12 C ATOM 1788 O HIS A 109 -8.711 -23.974 41.094 1.00 23.31 O ATOM 1789 CB HIS A 109 -8.080 -25.680 38.899 1.00 63.54 C ATOM 1790 CG HIS A 109 -8.771 -26.816 39.613 1.00 74.15 C ATOM 1791 ND1 HIS A 109 -8.509 -27.148 40.927 1.00 25.15 N ATOM 1792 CD2 HIS A 109 -9.722 -27.686 39.199 1.00 21.20 C ATOM 1793 CE1 HIS A 109 -9.269 -28.159 41.287 1.00 11.45 C ATOM 1794 NE2 HIS A 109 -10.012 -28.505 40.260 1.00 4.01 N ATOM 0 H HIS A 109 -7.826 -22.675 38.665 1.00 2.51 H new ATOM 0 HA HIS A 109 -9.831 -24.740 38.154 1.00 64.12 H new ATOM 0 HB2 HIS A 109 -7.762 -26.022 37.914 1.00 63.54 H new ATOM 0 HB3 HIS A 109 -7.179 -25.411 39.450 1.00 63.54 H new ATOM 0 HD2 HIS A 109 -10.169 -27.727 38.217 1.00 21.20 H new ATOM 0 HE1 HIS A 109 -9.281 -28.625 42.261 1.00 11.45 H new ATOM 0 HE2 HIS A 109 -10.696 -29.262 40.253 1.00 4.01 H new ATOM 1803 N HIS A 110 -10.548 -23.135 40.058 1.00 71.01 N ATOM 1804 CA HIS A 110 -11.087 -22.441 41.235 1.00 61.10 C ATOM 1805 C HIS A 110 -11.811 -23.433 42.163 1.00 72.22 C ATOM 1806 O HIS A 110 -12.725 -24.148 41.727 1.00 42.01 O ATOM 1807 CB HIS A 110 -12.060 -21.313 40.803 1.00 31.44 C ATOM 1808 CG HIS A 110 -11.432 -20.247 39.937 1.00 64.14 C ATOM 1809 ND1 HIS A 110 -11.725 -20.092 38.595 1.00 4.23 N ATOM 1810 CD2 HIS A 110 -10.526 -19.282 40.226 1.00 14.51 C ATOM 1811 CE1 HIS A 110 -11.027 -19.091 38.105 1.00 53.34 C ATOM 1812 NE2 HIS A 110 -10.295 -18.584 39.069 1.00 14.42 N ATOM 0 H HIS A 110 -11.119 -23.025 39.220 1.00 71.01 H new ATOM 0 HA HIS A 110 -10.254 -21.997 41.779 1.00 61.10 H new ATOM 0 HB2 HIS A 110 -12.896 -21.758 40.263 1.00 31.44 H new ATOM 0 HB3 HIS A 110 -12.472 -20.843 41.696 1.00 31.44 H new ATOM 0 HD2 HIS A 110 -10.071 -19.097 41.188 1.00 14.51 H new ATOM 0 HE1 HIS A 110 -11.052 -18.745 37.082 1.00 53.34 H new ATOM 0 HE2 HIS A 110 -9.655 -17.795 38.973 1.00 14.42 H new ATOM 1821 N HIS A 111 -11.381 -23.491 43.435 1.00 64.11 N ATOM 1822 CA HIS A 111 -12.090 -24.257 44.473 1.00 31.05 C ATOM 1823 C HIS A 111 -13.334 -23.462 44.939 1.00 21.53 C ATOM 1824 O HIS A 111 -13.256 -22.254 45.200 1.00 53.14 O ATOM 1825 CB HIS A 111 -11.146 -24.623 45.655 1.00 2.14 C ATOM 1826 CG HIS A 111 -10.484 -23.463 46.364 1.00 41.23 C ATOM 1827 ND1 HIS A 111 -9.187 -23.069 46.104 1.00 31.45 N ATOM 1828 CD2 HIS A 111 -10.922 -22.640 47.350 1.00 23.23 C ATOM 1829 CE1 HIS A 111 -8.868 -22.060 46.885 1.00 31.13 C ATOM 1830 NE2 HIS A 111 -9.897 -21.782 47.654 1.00 33.42 N ATOM 0 H HIS A 111 -10.543 -23.015 43.769 1.00 64.11 H new ATOM 0 HA HIS A 111 -12.427 -25.204 44.052 1.00 31.05 H new ATOM 0 HB2 HIS A 111 -11.719 -25.191 46.388 1.00 2.14 H new ATOM 0 HB3 HIS A 111 -10.366 -25.285 45.278 1.00 2.14 H new ATOM 0 HD2 HIS A 111 -11.899 -22.658 47.811 1.00 23.23 H new ATOM 0 HE1 HIS A 111 -7.918 -21.545 46.893 1.00 31.13 H new ATOM 0 HE2 HIS A 111 -9.928 -21.048 48.361 1.00 33.42 H new ATOM 1839 N HIS A 112 -14.485 -24.144 45.004 1.00 51.03 N ATOM 1840 CA HIS A 112 -15.793 -23.534 45.307 1.00 51.53 C ATOM 1841 C HIS A 112 -16.403 -24.219 46.560 1.00 1.33 C ATOM 1842 O HIS A 112 -16.984 -25.311 46.447 1.00 63.13 O ATOM 1843 CB HIS A 112 -16.724 -23.609 44.053 1.00 33.25 C ATOM 1844 CG HIS A 112 -16.804 -24.963 43.382 1.00 41.14 C ATOM 1845 ND1 HIS A 112 -17.752 -25.910 43.706 1.00 71.25 N ATOM 1846 CD2 HIS A 112 -16.041 -25.528 42.416 1.00 22.12 C ATOM 1847 CE1 HIS A 112 -17.569 -26.985 42.977 1.00 25.34 C ATOM 1848 NE2 HIS A 112 -16.539 -26.782 42.189 1.00 55.22 N ATOM 1849 OXT HIS A 112 -16.247 -23.674 47.675 1.00 38.05 O ATOM 0 H HIS A 112 -14.538 -25.150 44.846 1.00 51.03 H new ATOM 0 HA HIS A 112 -15.674 -22.476 45.542 1.00 51.53 H new ATOM 0 HB2 HIS A 112 -17.729 -23.310 44.350 1.00 33.25 H new ATOM 0 HB3 HIS A 112 -16.378 -22.880 43.321 1.00 33.25 H new ATOM 0 HD2 HIS A 112 -15.197 -25.074 41.918 1.00 22.12 H new ATOM 0 HE1 HIS A 112 -18.165 -27.885 43.018 1.00 25.34 H new ATOM 0 HE2 HIS A 112 -16.169 -27.452 41.515 1.00 55.22 H new TER 1858 HIS A 112