USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 843 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 93 ASN : amide:sc= -0.626 K(o=-0.84,f=-8.2!) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= -0.212 USER MOD Set 2.1: A 51 THR OG1 : rot -144:sc= 0.286 USER MOD Set 2.2: A 55 SER OG : rot -143:sc= 0.191 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.0292 F(o=-1.1,f=1.2) USER MOD Set 3.2: A 28 THR OG1 : rot 162:sc= 1.2 USER MOD Set 3.3: A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 36:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.172 (180deg=-0.587) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 167:sc= -1.11! USER MOD Single : A 32 THR OG1 : rot 56:sc= 0.653 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.155 (180deg=-1.45!) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.212 F(o=-1.8,f=0.21) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -6:sc= 0.272 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.837 K(o=-0.84,f=-3.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.0307 (180deg=-0.282) USER MOD Single : A 58 MET CE :methyl -165:sc=-0.00873 (180deg=-0.238) USER MOD Single : A 59 MET CE :methyl 169:sc= 0 (180deg=-0.00915) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HE2:sc= 0.142 F(o=-0.55,f=0.14) USER MOD Single : A 88 MET CE :methyl -135:sc= 0 (180deg=-0.373) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 MET CE :methyl -108:sc= -0.724 (180deg=-2.14!) USER MOD Single : A 99 ASN : amide:sc= 0.829 K(o=0.83,f=-0.011) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -169:sc= -0.0171 (180deg=-0.216) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.00991 X(o=-0.0099,f=-0.0099) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -140:sc= -0.236 USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= 0.626 (180deg=0.204) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 16.072 -2.641 0.060 1.00 25.00 N ATOM 47 CA SER A 4 15.898 -2.469 1.499 1.00 25.00 C ATOM 48 C SER A 4 16.344 -1.079 1.942 1.00 25.00 C ATOM 49 O SER A 4 17.334 -0.538 1.436 1.00 25.00 O ATOM 50 CB SER A 4 16.670 -3.553 2.263 1.00 25.00 C ATOM 51 OG SER A 4 16.524 -3.414 3.668 1.00 25.00 O ATOM 0 HA SER A 4 14.837 -2.570 1.728 1.00 25.00 H new ATOM 0 HB2 SER A 4 16.314 -4.537 1.956 1.00 25.00 H new ATOM 0 HB3 SER A 4 17.727 -3.500 2.000 1.00 25.00 H new ATOM 0 HG SER A 4 15.619 -3.099 3.873 1.00 25.00 H new ATOM 57 N GLY A 5 15.595 -0.517 2.893 1.00 25.00 N ATOM 58 CA GLY A 5 15.899 0.799 3.423 1.00 25.00 C ATOM 59 C GLY A 5 15.460 0.944 4.864 1.00 25.00 C ATOM 60 O GLY A 5 16.003 0.284 5.752 1.00 25.00 O ATOM 0 H GLY A 5 14.774 -0.959 3.307 1.00 25.00 H new ATOM 0 HA2 GLY A 5 16.971 0.980 3.351 1.00 25.00 H new ATOM 0 HA3 GLY A 5 15.406 1.558 2.815 1.00 25.00 H new ATOM 64 N ALA A 6 14.475 1.822 5.091 1.00 25.00 N ATOM 65 CA ALA A 6 13.878 2.017 6.415 1.00 25.00 C ATOM 66 C ALA A 6 12.424 2.465 6.280 1.00 25.00 C ATOM 67 O ALA A 6 12.138 3.457 5.601 1.00 25.00 O ATOM 68 CB ALA A 6 14.665 3.035 7.225 1.00 25.00 C ATOM 0 H ALA A 6 14.072 2.414 4.365 1.00 25.00 H new ATOM 0 HA ALA A 6 13.909 1.064 6.943 1.00 25.00 H new ATOM 0 HB1 ALA A 6 14.200 3.160 8.203 1.00 25.00 H new ATOM 0 HB2 ALA A 6 15.689 2.685 7.353 1.00 25.00 H new ATOM 0 HB3 ALA A 6 14.671 3.991 6.701 1.00 25.00 H new ATOM 74 N ALA A 7 11.506 1.730 6.925 1.00 25.00 N ATOM 75 CA ALA A 7 10.071 2.018 6.818 1.00 25.00 C ATOM 76 C ALA A 7 9.329 1.773 8.135 1.00 25.00 C ATOM 77 O ALA A 7 9.737 0.937 8.945 1.00 25.00 O ATOM 78 CB ALA A 7 9.451 1.180 5.710 1.00 25.00 C ATOM 0 H ALA A 7 11.732 0.935 7.523 1.00 25.00 H new ATOM 0 HA ALA A 7 9.971 3.077 6.579 1.00 25.00 H new ATOM 0 HB1 ALA A 7 8.386 1.401 5.639 1.00 25.00 H new ATOM 0 HB2 ALA A 7 9.935 1.415 4.762 1.00 25.00 H new ATOM 0 HB3 ALA A 7 9.588 0.122 5.934 1.00 25.00 H new ATOM 84 N ILE A 8 8.229 2.516 8.329 1.00 25.00 N ATOM 85 CA ILE A 8 7.345 2.346 9.491 1.00 25.00 C ATOM 86 C ILE A 8 6.006 1.746 9.028 1.00 25.00 C ATOM 87 O ILE A 8 5.465 2.140 7.993 1.00 25.00 O ATOM 88 CB ILE A 8 7.105 3.704 10.239 1.00 25.00 C ATOM 89 CG1 ILE A 8 8.437 4.265 10.780 1.00 25.00 C ATOM 90 CG2 ILE A 8 6.089 3.546 11.384 1.00 25.00 C ATOM 91 CD1 ILE A 8 8.353 5.670 11.357 1.00 25.00 C ATOM 0 H ILE A 8 7.928 3.249 7.687 1.00 25.00 H new ATOM 0 HA ILE A 8 7.828 1.669 10.195 1.00 25.00 H new ATOM 0 HB ILE A 8 6.690 4.409 9.519 1.00 25.00 H new ATOM 0 HG12 ILE A 8 8.811 3.593 11.552 1.00 25.00 H new ATOM 0 HG13 ILE A 8 9.170 4.262 9.973 1.00 25.00 H new ATOM 0 HG21 ILE A 8 5.947 4.506 11.880 1.00 25.00 H new ATOM 0 HG22 ILE A 8 5.137 3.202 10.981 1.00 25.00 H new ATOM 0 HG23 ILE A 8 6.462 2.818 12.104 1.00 25.00 H new ATOM 0 HD11 ILE A 8 9.337 5.977 11.711 1.00 25.00 H new ATOM 0 HD12 ILE A 8 8.013 6.361 10.585 1.00 25.00 H new ATOM 0 HD13 ILE A 8 7.649 5.680 12.189 1.00 25.00 H new ATOM 103 N PHE A 9 5.490 0.792 9.811 1.00 25.00 N ATOM 104 CA PHE A 9 4.237 0.104 9.493 1.00 25.00 C ATOM 105 C PHE A 9 3.431 -0.119 10.768 1.00 25.00 C ATOM 106 O PHE A 9 3.863 -0.838 11.666 1.00 25.00 O ATOM 107 CB PHE A 9 4.532 -1.234 8.780 1.00 25.00 C ATOM 108 CG PHE A 9 3.315 -2.001 8.309 1.00 25.00 C ATOM 109 CD1 PHE A 9 2.681 -1.660 7.124 1.00 25.00 C ATOM 110 CD2 PHE A 9 2.805 -3.054 9.055 1.00 25.00 C ATOM 111 CE1 PHE A 9 1.565 -2.351 6.693 1.00 25.00 C ATOM 112 CE2 PHE A 9 1.693 -3.751 8.630 1.00 25.00 C ATOM 113 CZ PHE A 9 1.090 -3.426 7.438 1.00 25.00 C ATOM 0 H PHE A 9 5.927 0.478 10.677 1.00 25.00 H new ATOM 0 HA PHE A 9 3.646 0.723 8.818 1.00 25.00 H new ATOM 0 HB2 PHE A 9 5.170 -1.034 7.919 1.00 25.00 H new ATOM 0 HB3 PHE A 9 5.101 -1.870 9.458 1.00 25.00 H new ATOM 0 HD1 PHE A 9 3.065 -0.844 6.530 1.00 25.00 H new ATOM 0 HD2 PHE A 9 3.285 -3.332 9.981 1.00 25.00 H new ATOM 0 HE1 PHE A 9 1.064 -2.058 5.782 1.00 25.00 H new ATOM 0 HE2 PHE A 9 1.296 -4.553 9.234 1.00 25.00 H new ATOM 0 HZ PHE A 9 0.250 -4.003 7.081 1.00 25.00 H new ATOM 123 N GLU A 10 2.248 0.514 10.828 1.00 25.00 N ATOM 124 CA GLU A 10 1.330 0.447 11.995 1.00 25.00 C ATOM 125 C GLU A 10 1.966 1.045 13.268 1.00 25.00 C ATOM 126 O GLU A 10 1.845 0.499 14.371 1.00 25.00 O ATOM 127 CB GLU A 10 0.840 -0.993 12.246 1.00 25.00 C ATOM 128 CG GLU A 10 -0.005 -1.554 11.114 1.00 25.00 C ATOM 129 CD GLU A 10 -0.501 -2.961 11.393 1.00 25.00 C ATOM 130 OE1 GLU A 10 -0.104 -3.536 12.428 1.00 25.00 O ATOM 131 OE2 GLU A 10 -1.289 -3.487 10.577 1.00 25.00 O ATOM 0 H GLU A 10 1.892 1.093 10.067 1.00 25.00 H new ATOM 0 HA GLU A 10 0.462 1.059 11.748 1.00 25.00 H new ATOM 0 HB2 GLU A 10 1.704 -1.640 12.399 1.00 25.00 H new ATOM 0 HB3 GLU A 10 0.258 -1.015 13.168 1.00 25.00 H new ATOM 0 HG2 GLU A 10 -0.860 -0.899 10.945 1.00 25.00 H new ATOM 0 HG3 GLU A 10 0.581 -1.556 10.195 1.00 25.00 H new ATOM 138 N LYS A 11 2.650 2.189 13.079 1.00 25.00 N ATOM 139 CA LYS A 11 3.273 2.995 14.167 1.00 25.00 C ATOM 140 C LYS A 11 4.497 2.325 14.818 1.00 25.00 C ATOM 141 O LYS A 11 5.172 2.941 15.650 1.00 25.00 O ATOM 142 CB LYS A 11 2.256 3.405 15.237 1.00 25.00 C ATOM 143 CG LYS A 11 1.117 4.252 14.682 1.00 25.00 C ATOM 144 CD LYS A 11 0.210 4.740 15.792 1.00 25.00 C ATOM 145 CE LYS A 11 -0.636 3.617 16.384 1.00 25.00 C ATOM 146 NZ LYS A 11 -1.236 2.755 15.328 1.00 25.00 N ATOM 0 H LYS A 11 2.792 2.593 12.153 1.00 25.00 H new ATOM 0 HA LYS A 11 3.637 3.894 13.670 1.00 25.00 H new ATOM 0 HB2 LYS A 11 1.843 2.509 15.700 1.00 25.00 H new ATOM 0 HB3 LYS A 11 2.767 3.963 16.022 1.00 25.00 H new ATOM 0 HG2 LYS A 11 1.525 5.105 14.140 1.00 25.00 H new ATOM 0 HG3 LYS A 11 0.539 3.666 13.967 1.00 25.00 H new ATOM 0 HD2 LYS A 11 0.814 5.191 16.580 1.00 25.00 H new ATOM 0 HD3 LYS A 11 -0.445 5.521 15.406 1.00 25.00 H new ATOM 0 HE2 LYS A 11 -0.018 3.007 17.043 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -1.429 4.045 16.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -2.004 2.186 15.739 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -1.617 3.353 14.567 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 -0.507 2.123 14.940 1.00 25.00 H new ATOM 160 N VAL A 12 4.782 1.075 14.433 1.00 25.00 N ATOM 161 CA VAL A 12 6.002 0.383 14.862 1.00 25.00 C ATOM 162 C VAL A 12 7.079 0.559 13.779 1.00 25.00 C ATOM 163 O VAL A 12 6.903 0.117 12.640 1.00 25.00 O ATOM 164 CB VAL A 12 5.726 -1.132 15.206 1.00 25.00 C ATOM 165 CG1 VAL A 12 7.002 -1.895 15.520 1.00 25.00 C ATOM 166 CG2 VAL A 12 4.718 -1.306 16.347 1.00 25.00 C ATOM 0 H VAL A 12 4.181 0.521 13.823 1.00 25.00 H new ATOM 0 HA VAL A 12 6.366 0.828 15.788 1.00 25.00 H new ATOM 0 HB VAL A 12 5.287 -1.556 14.303 1.00 25.00 H new ATOM 0 HG11 VAL A 12 6.758 -2.932 15.750 1.00 25.00 H new ATOM 0 HG12 VAL A 12 7.668 -1.861 14.658 1.00 25.00 H new ATOM 0 HG13 VAL A 12 7.497 -1.440 16.378 1.00 25.00 H new ATOM 0 HG21 VAL A 12 4.567 -2.368 16.540 1.00 25.00 H new ATOM 0 HG22 VAL A 12 5.100 -0.824 17.247 1.00 25.00 H new ATOM 0 HG23 VAL A 12 3.769 -0.850 16.067 1.00 25.00 H new ATOM 176 N SER A 13 8.178 1.229 14.147 1.00 25.00 N ATOM 177 CA SER A 13 9.241 1.558 13.195 1.00 25.00 C ATOM 178 C SER A 13 10.145 0.359 12.933 1.00 25.00 C ATOM 179 O SER A 13 10.504 -0.378 13.857 1.00 25.00 O ATOM 180 CB SER A 13 10.061 2.757 13.687 1.00 25.00 C ATOM 181 OG SER A 13 11.203 2.979 12.873 1.00 25.00 O ATOM 0 H SER A 13 8.353 1.553 15.098 1.00 25.00 H new ATOM 0 HA SER A 13 8.767 1.829 12.252 1.00 25.00 H new ATOM 0 HB2 SER A 13 9.436 3.650 13.689 1.00 25.00 H new ATOM 0 HB3 SER A 13 10.375 2.586 14.717 1.00 25.00 H new ATOM 0 HG SER A 13 11.702 3.751 13.213 1.00 25.00 H new ATOM 187 N GLY A 14 10.493 0.177 11.660 1.00 25.00 N ATOM 188 CA GLY A 14 11.291 -0.964 11.256 1.00 25.00 C ATOM 189 C GLY A 14 12.082 -0.717 9.991 1.00 25.00 C ATOM 190 O GLY A 14 12.340 0.431 9.618 1.00 25.00 O ATOM 0 H GLY A 14 10.233 0.805 10.899 1.00 25.00 H new ATOM 0 HA2 GLY A 14 11.978 -1.223 12.062 1.00 25.00 H new ATOM 0 HA3 GLY A 14 10.637 -1.823 11.106 1.00 25.00 H new ATOM 194 N ILE A 15 12.464 -1.813 9.342 1.00 25.00 N ATOM 195 CA ILE A 15 13.233 -1.775 8.101 1.00 25.00 C ATOM 196 C ILE A 15 12.503 -2.594 7.021 1.00 25.00 C ATOM 197 O ILE A 15 11.983 -3.678 7.303 1.00 25.00 O ATOM 198 CB ILE A 15 14.690 -2.315 8.345 1.00 25.00 C ATOM 199 CG1 ILE A 15 15.553 -1.323 9.183 1.00 25.00 C ATOM 200 CG2 ILE A 15 15.415 -2.695 7.045 1.00 25.00 C ATOM 201 CD1 ILE A 15 16.909 -1.835 9.673 1.00 25.00 C ATOM 0 H ILE A 15 12.248 -2.757 9.663 1.00 25.00 H new ATOM 0 HA ILE A 15 13.318 -0.745 7.754 1.00 25.00 H new ATOM 0 HB ILE A 15 14.566 -3.230 8.925 1.00 25.00 H new ATOM 0 HG12 ILE A 15 15.724 -0.430 8.582 1.00 25.00 H new ATOM 0 HG13 ILE A 15 14.971 -1.016 10.052 1.00 25.00 H new ATOM 0 HG21 ILE A 15 16.415 -3.060 7.279 1.00 25.00 H new ATOM 0 HG22 ILE A 15 14.855 -3.476 6.531 1.00 25.00 H new ATOM 0 HG23 ILE A 15 15.491 -1.819 6.401 1.00 25.00 H new ATOM 0 HD11 ILE A 15 17.410 -1.052 10.242 1.00 25.00 H new ATOM 0 HD12 ILE A 15 16.760 -2.707 10.309 1.00 25.00 H new ATOM 0 HD13 ILE A 15 17.525 -2.111 8.817 1.00 25.00 H new ATOM 213 N ILE A 16 12.478 -2.063 5.791 1.00 25.00 N ATOM 214 CA ILE A 16 11.785 -2.711 4.674 1.00 25.00 C ATOM 215 C ILE A 16 12.788 -3.454 3.774 1.00 25.00 C ATOM 216 O ILE A 16 13.873 -2.942 3.501 1.00 25.00 O ATOM 217 CB ILE A 16 10.916 -1.659 3.886 1.00 25.00 C ATOM 218 CG1 ILE A 16 9.417 -2.013 4.040 1.00 25.00 C ATOM 219 CG2 ILE A 16 11.310 -1.512 2.397 1.00 25.00 C ATOM 220 CD1 ILE A 16 8.557 -1.723 2.813 1.00 25.00 C ATOM 0 H ILE A 16 12.932 -1.183 5.546 1.00 25.00 H new ATOM 0 HA ILE A 16 11.098 -3.463 5.061 1.00 25.00 H new ATOM 0 HB ILE A 16 11.114 -0.682 4.328 1.00 25.00 H new ATOM 0 HG12 ILE A 16 9.332 -3.072 4.282 1.00 25.00 H new ATOM 0 HG13 ILE A 16 9.013 -1.459 4.887 1.00 25.00 H new ATOM 0 HG21 ILE A 16 10.667 -0.771 1.922 1.00 25.00 H new ATOM 0 HG22 ILE A 16 12.349 -1.191 2.326 1.00 25.00 H new ATOM 0 HG23 ILE A 16 11.191 -2.471 1.893 1.00 25.00 H new ATOM 0 HD11 ILE A 16 7.524 -2.004 3.018 1.00 25.00 H new ATOM 0 HD12 ILE A 16 8.604 -0.659 2.579 1.00 25.00 H new ATOM 0 HD13 ILE A 16 8.928 -2.298 1.965 1.00 25.00 H new ATOM 232 N ALA A 17 12.417 -4.665 3.344 1.00 25.00 N ATOM 233 CA ALA A 17 13.250 -5.467 2.440 1.00 25.00 C ATOM 234 C ALA A 17 12.408 -6.129 1.350 1.00 25.00 C ATOM 235 O ALA A 17 11.308 -6.610 1.621 1.00 25.00 O ATOM 236 CB ALA A 17 14.028 -6.520 3.223 1.00 25.00 C ATOM 0 H ALA A 17 11.540 -5.114 3.609 1.00 25.00 H new ATOM 0 HA ALA A 17 13.959 -4.795 1.956 1.00 25.00 H new ATOM 0 HB1 ALA A 17 14.640 -7.105 2.537 1.00 25.00 H new ATOM 0 HB2 ALA A 17 14.671 -6.029 3.954 1.00 25.00 H new ATOM 0 HB3 ALA A 17 13.330 -7.179 3.739 1.00 25.00 H new ATOM 242 N ILE A 18 12.934 -6.151 0.118 1.00 25.00 N ATOM 243 CA ILE A 18 12.260 -6.815 -1.008 1.00 25.00 C ATOM 244 C ILE A 18 12.841 -8.226 -1.216 1.00 25.00 C ATOM 245 O ILE A 18 14.061 -8.415 -1.239 1.00 25.00 O ATOM 246 CB ILE A 18 12.361 -5.978 -2.329 1.00 25.00 C ATOM 247 CG1 ILE A 18 11.584 -4.654 -2.181 1.00 25.00 C ATOM 248 CG2 ILE A 18 11.853 -6.773 -3.539 1.00 25.00 C ATOM 249 CD1 ILE A 18 11.805 -3.654 -3.302 1.00 25.00 C ATOM 0 H ILE A 18 13.824 -5.717 -0.125 1.00 25.00 H new ATOM 0 HA ILE A 18 11.202 -6.897 -0.758 1.00 25.00 H new ATOM 0 HB ILE A 18 13.413 -5.751 -2.505 1.00 25.00 H new ATOM 0 HG12 ILE A 18 10.519 -4.879 -2.120 1.00 25.00 H new ATOM 0 HG13 ILE A 18 11.866 -4.188 -1.237 1.00 25.00 H new ATOM 0 HG21 ILE A 18 11.938 -6.162 -4.438 1.00 25.00 H new ATOM 0 HG22 ILE A 18 12.450 -7.677 -3.657 1.00 25.00 H new ATOM 0 HG23 ILE A 18 10.809 -7.046 -3.383 1.00 25.00 H new ATOM 0 HD11 ILE A 18 11.218 -2.756 -3.110 1.00 25.00 H new ATOM 0 HD12 ILE A 18 12.862 -3.392 -3.353 1.00 25.00 H new ATOM 0 HD13 ILE A 18 11.494 -4.095 -4.249 1.00 25.00 H new ATOM 261 N ASN A 19 11.935 -9.194 -1.362 1.00 25.00 N ATOM 262 CA ASN A 19 12.285 -10.594 -1.590 1.00 25.00 C ATOM 263 C ASN A 19 12.124 -10.975 -3.073 1.00 25.00 C ATOM 264 O ASN A 19 11.003 -11.132 -3.572 1.00 25.00 O ATOM 265 CB ASN A 19 11.394 -11.488 -0.710 1.00 25.00 C ATOM 266 CG ASN A 19 11.722 -11.399 0.774 1.00 25.00 C ATOM 267 OD1 ASN A 19 10.793 -11.851 1.607 1.00 25.00 O flip ATOM 268 ND2 ASN A 19 12.789 -10.920 1.168 1.00 25.00 N flip ATOM 0 H ASN A 19 10.930 -9.025 -1.325 1.00 25.00 H new ATOM 0 HA ASN A 19 13.332 -10.741 -1.323 1.00 25.00 H new ATOM 0 HB2 ASN A 19 10.351 -11.209 -0.861 1.00 25.00 H new ATOM 0 HB3 ASN A 19 11.497 -12.523 -1.035 1.00 25.00 H new ATOM 0 HD21 ASN A 19 13.477 -10.584 0.494 1.00 25.00 H new ATOM 0 HD22 ASN A 19 12.983 -10.860 2.168 1.00 25.00 H new ATOM 275 N GLU A 20 13.260 -11.103 -3.767 1.00 25.00 N ATOM 276 CA GLU A 20 13.301 -11.585 -5.154 1.00 25.00 C ATOM 277 C GLU A 20 14.175 -12.844 -5.228 1.00 25.00 C ATOM 278 O GLU A 20 14.878 -13.161 -4.263 1.00 25.00 O ATOM 279 CB GLU A 20 13.823 -10.494 -6.114 1.00 25.00 C ATOM 280 CG GLU A 20 12.964 -9.235 -6.184 1.00 25.00 C ATOM 281 CD GLU A 20 13.350 -8.329 -7.338 1.00 25.00 C ATOM 282 OE1 GLU A 20 13.362 -8.809 -8.491 1.00 25.00 O ATOM 283 OE2 GLU A 20 13.635 -7.141 -7.090 1.00 25.00 O ATOM 0 H GLU A 20 14.178 -10.876 -3.384 1.00 25.00 H new ATOM 0 HA GLU A 20 12.287 -11.832 -5.470 1.00 25.00 H new ATOM 0 HB2 GLU A 20 14.830 -10.212 -5.807 1.00 25.00 H new ATOM 0 HB3 GLU A 20 13.902 -10.919 -7.115 1.00 25.00 H new ATOM 0 HG2 GLU A 20 11.917 -9.519 -6.285 1.00 25.00 H new ATOM 0 HG3 GLU A 20 13.056 -8.684 -5.248 1.00 25.00 H new ATOM 290 N ASP A 21 14.124 -13.568 -6.376 1.00 25.00 N ATOM 291 CA ASP A 21 14.769 -14.907 -6.543 1.00 25.00 C ATOM 292 C ASP A 21 14.018 -16.001 -5.761 1.00 25.00 C ATOM 293 O ASP A 21 14.414 -17.172 -5.742 1.00 25.00 O ATOM 294 CB ASP A 21 16.246 -14.896 -6.141 1.00 25.00 C ATOM 295 CG ASP A 21 17.086 -13.975 -7.005 1.00 25.00 C ATOM 296 OD1 ASP A 21 16.922 -14.006 -8.242 1.00 25.00 O ATOM 297 OD2 ASP A 21 17.909 -13.222 -6.443 1.00 25.00 O ATOM 0 H ASP A 21 13.637 -13.246 -7.212 1.00 25.00 H new ATOM 0 HA ASP A 21 14.713 -15.139 -7.607 1.00 25.00 H new ATOM 0 HB2 ASP A 21 16.332 -14.587 -5.099 1.00 25.00 H new ATOM 0 HB3 ASP A 21 16.643 -15.909 -6.206 1.00 25.00 H new ATOM 302 N VAL A 22 12.926 -15.576 -5.140 1.00 25.00 N ATOM 303 CA VAL A 22 12.002 -16.432 -4.392 1.00 25.00 C ATOM 304 C VAL A 22 10.751 -16.717 -5.234 1.00 25.00 C ATOM 305 O VAL A 22 10.705 -16.374 -6.420 1.00 25.00 O ATOM 306 CB VAL A 22 11.601 -15.795 -3.011 1.00 25.00 C ATOM 307 CG1 VAL A 22 12.790 -15.785 -2.060 1.00 25.00 C ATOM 308 CG2 VAL A 22 11.022 -14.373 -3.155 1.00 25.00 C ATOM 0 H VAL A 22 12.646 -14.595 -5.140 1.00 25.00 H new ATOM 0 HA VAL A 22 12.515 -17.370 -4.180 1.00 25.00 H new ATOM 0 HB VAL A 22 10.811 -16.421 -2.596 1.00 25.00 H new ATOM 0 HG11 VAL A 22 12.493 -15.341 -1.110 1.00 25.00 H new ATOM 0 HG12 VAL A 22 13.130 -16.807 -1.892 1.00 25.00 H new ATOM 0 HG13 VAL A 22 13.600 -15.200 -2.496 1.00 25.00 H new ATOM 0 HG21 VAL A 22 10.763 -13.984 -2.170 1.00 25.00 H new ATOM 0 HG22 VAL A 22 11.764 -13.723 -3.618 1.00 25.00 H new ATOM 0 HG23 VAL A 22 10.129 -14.405 -3.779 1.00 25.00 H new ATOM 318 N SER A 23 9.747 -17.350 -4.616 1.00 25.00 N ATOM 319 CA SER A 23 8.441 -17.524 -5.250 1.00 25.00 C ATOM 320 C SER A 23 7.763 -16.142 -5.221 1.00 25.00 C ATOM 321 O SER A 23 8.229 -15.295 -4.454 1.00 25.00 O ATOM 322 CB SER A 23 7.649 -18.576 -4.468 1.00 25.00 C ATOM 323 OG SER A 23 7.376 -18.149 -3.143 1.00 25.00 O ATOM 0 H SER A 23 9.816 -17.748 -3.680 1.00 25.00 H new ATOM 0 HA SER A 23 8.510 -17.876 -6.279 1.00 25.00 H new ATOM 0 HB2 SER A 23 6.712 -18.784 -4.984 1.00 25.00 H new ATOM 0 HB3 SER A 23 8.211 -19.509 -4.441 1.00 25.00 H new ATOM 0 HG SER A 23 6.868 -18.843 -2.674 1.00 25.00 H new ATOM 329 N PRO A 24 6.649 -15.850 -5.974 1.00 25.00 N ATOM 330 CA PRO A 24 6.485 -14.512 -6.591 1.00 25.00 C ATOM 331 C PRO A 24 6.903 -13.367 -5.668 1.00 25.00 C ATOM 332 O PRO A 24 6.476 -13.285 -4.511 1.00 25.00 O ATOM 333 CB PRO A 24 4.981 -14.452 -6.857 1.00 25.00 C ATOM 334 CG PRO A 24 4.583 -15.865 -7.101 1.00 25.00 C ATOM 335 CD PRO A 24 5.467 -16.711 -6.226 1.00 25.00 C ATOM 0 HA PRO A 24 7.112 -14.392 -7.475 1.00 25.00 H new ATOM 0 HB2 PRO A 24 4.445 -14.031 -6.006 1.00 25.00 H new ATOM 0 HB3 PRO A 24 4.756 -13.823 -7.718 1.00 25.00 H new ATOM 0 HG2 PRO A 24 3.532 -16.020 -6.857 1.00 25.00 H new ATOM 0 HG3 PRO A 24 4.709 -16.128 -8.151 1.00 25.00 H new ATOM 0 HD2 PRO A 24 4.966 -16.984 -5.297 1.00 25.00 H new ATOM 0 HD3 PRO A 24 5.748 -17.640 -6.722 1.00 25.00 H new ATOM 343 N ALA A 25 7.760 -12.488 -6.227 1.00 25.00 N ATOM 344 CA ALA A 25 8.527 -11.498 -5.460 1.00 25.00 C ATOM 345 C ALA A 25 7.666 -10.673 -4.534 1.00 25.00 C ATOM 346 O ALA A 25 6.542 -10.292 -4.869 1.00 25.00 O ATOM 347 CB ALA A 25 9.334 -10.606 -6.385 1.00 25.00 C ATOM 0 H ALA A 25 7.937 -12.449 -7.231 1.00 25.00 H new ATOM 0 HA ALA A 25 9.212 -12.061 -4.826 1.00 25.00 H new ATOM 0 HB1 ALA A 25 9.894 -9.881 -5.794 1.00 25.00 H new ATOM 0 HB2 ALA A 25 10.028 -11.215 -6.964 1.00 25.00 H new ATOM 0 HB3 ALA A 25 8.661 -10.080 -7.062 1.00 25.00 H new ATOM 353 N GLU A 26 8.231 -10.422 -3.361 1.00 25.00 N ATOM 354 CA GLU A 26 7.488 -9.890 -2.240 1.00 25.00 C ATOM 355 C GLU A 26 8.140 -8.612 -1.698 1.00 25.00 C ATOM 356 O GLU A 26 9.192 -8.189 -2.170 1.00 25.00 O ATOM 357 CB GLU A 26 7.361 -10.950 -1.119 1.00 25.00 C ATOM 358 CG GLU A 26 7.404 -12.416 -1.571 1.00 25.00 C ATOM 359 CD GLU A 26 7.547 -13.384 -0.412 1.00 25.00 C ATOM 360 OE1 GLU A 26 8.527 -13.256 0.352 1.00 25.00 O ATOM 361 OE2 GLU A 26 6.680 -14.273 -0.269 1.00 25.00 O ATOM 0 H GLU A 26 9.219 -10.584 -3.165 1.00 25.00 H new ATOM 0 HA GLU A 26 6.489 -9.634 -2.593 1.00 25.00 H new ATOM 0 HB2 GLU A 26 8.165 -10.788 -0.401 1.00 25.00 H new ATOM 0 HB3 GLU A 26 6.423 -10.781 -0.591 1.00 25.00 H new ATOM 0 HG2 GLU A 26 6.493 -12.648 -2.122 1.00 25.00 H new ATOM 0 HG3 GLU A 26 8.237 -12.555 -2.260 1.00 25.00 H new ATOM 368 N LEU A 27 7.433 -7.964 -0.773 1.00 25.00 N ATOM 369 CA LEU A 27 7.932 -6.810 -0.034 1.00 25.00 C ATOM 370 C LEU A 27 7.754 -7.092 1.459 1.00 25.00 C ATOM 371 O LEU A 27 6.632 -7.094 1.975 1.00 25.00 O ATOM 372 CB LEU A 27 7.186 -5.538 -0.521 1.00 25.00 C ATOM 373 CG LEU A 27 7.565 -4.139 0.041 1.00 25.00 C ATOM 374 CD1 LEU A 27 9.021 -3.770 -0.194 1.00 25.00 C ATOM 375 CD2 LEU A 27 6.647 -3.041 -0.481 1.00 25.00 C ATOM 0 H LEU A 27 6.484 -8.232 -0.514 1.00 25.00 H new ATOM 0 HA LEU A 27 8.993 -6.633 -0.210 1.00 25.00 H new ATOM 0 HB2 LEU A 27 7.301 -5.492 -1.604 1.00 25.00 H new ATOM 0 HB3 LEU A 27 6.126 -5.690 -0.319 1.00 25.00 H new ATOM 0 HG LEU A 27 7.425 -4.219 1.119 1.00 25.00 H new ATOM 0 HD11 LEU A 27 9.218 -2.782 0.223 1.00 25.00 H new ATOM 0 HD12 LEU A 27 9.665 -4.503 0.291 1.00 25.00 H new ATOM 0 HD13 LEU A 27 9.225 -3.759 -1.265 1.00 25.00 H new ATOM 0 HD21 LEU A 27 6.951 -2.082 -0.061 1.00 25.00 H new ATOM 0 HD22 LEU A 27 6.713 -2.998 -1.568 1.00 25.00 H new ATOM 0 HD23 LEU A 27 5.619 -3.256 -0.188 1.00 25.00 H new ATOM 387 N THR A 28 8.872 -7.345 2.138 1.00 25.00 N ATOM 388 CA THR A 28 8.849 -7.801 3.524 1.00 25.00 C ATOM 389 C THR A 28 9.314 -6.698 4.476 1.00 25.00 C ATOM 390 O THR A 28 10.495 -6.338 4.501 1.00 25.00 O ATOM 391 CB THR A 28 9.725 -9.071 3.710 1.00 25.00 C ATOM 392 OG1 THR A 28 9.225 -10.134 2.887 1.00 25.00 O ATOM 393 CG2 THR A 28 9.739 -9.549 5.165 1.00 25.00 C ATOM 0 H THR A 28 9.808 -7.241 1.747 1.00 25.00 H new ATOM 0 HA THR A 28 7.817 -8.054 3.767 1.00 25.00 H new ATOM 0 HB THR A 28 10.742 -8.805 3.421 1.00 25.00 H new ATOM 0 HG1 THR A 28 9.920 -10.816 2.776 1.00 25.00 H new ATOM 0 HG21 THR A 28 10.363 -10.439 5.250 1.00 25.00 H new ATOM 0 HG22 THR A 28 10.141 -8.762 5.803 1.00 25.00 H new ATOM 0 HG23 THR A 28 8.723 -9.787 5.479 1.00 25.00 H new ATOM 401 N TRP A 29 8.361 -6.169 5.250 1.00 25.00 N ATOM 402 CA TRP A 29 8.666 -5.243 6.335 1.00 25.00 C ATOM 403 C TRP A 29 8.999 -6.029 7.602 1.00 25.00 C ATOM 404 O TRP A 29 8.294 -6.976 7.962 1.00 25.00 O ATOM 405 CB TRP A 29 7.486 -4.278 6.594 1.00 25.00 C ATOM 406 CG TRP A 29 7.724 -3.304 7.731 1.00 25.00 C ATOM 407 CD1 TRP A 29 8.269 -2.055 7.641 1.00 25.00 C ATOM 408 CD2 TRP A 29 7.445 -3.518 9.128 1.00 25.00 C ATOM 409 NE1 TRP A 29 8.352 -1.482 8.889 1.00 25.00 N ATOM 410 CE2 TRP A 29 7.849 -2.358 9.816 1.00 25.00 C ATOM 411 CE3 TRP A 29 6.892 -4.575 9.864 1.00 25.00 C ATOM 412 CZ2 TRP A 29 7.721 -2.227 11.198 1.00 25.00 C ATOM 413 CZ3 TRP A 29 6.768 -4.441 11.233 1.00 25.00 C ATOM 414 CH2 TRP A 29 7.179 -3.275 11.885 1.00 25.00 C ATOM 0 H TRP A 29 7.367 -6.371 5.141 1.00 25.00 H new ATOM 0 HA TRP A 29 9.528 -4.642 6.046 1.00 25.00 H new ATOM 0 HB2 TRP A 29 7.284 -3.715 5.683 1.00 25.00 H new ATOM 0 HB3 TRP A 29 6.593 -4.863 6.812 1.00 25.00 H new ATOM 0 HD1 TRP A 29 8.589 -1.585 6.723 1.00 25.00 H new ATOM 0 HE1 TRP A 29 8.727 -0.555 9.092 1.00 25.00 H new ATOM 0 HE3 TRP A 29 6.568 -5.479 9.369 1.00 25.00 H new ATOM 0 HZ2 TRP A 29 8.039 -1.329 11.707 1.00 25.00 H new ATOM 0 HZ3 TRP A 29 6.346 -5.251 11.810 1.00 25.00 H new ATOM 0 HH2 TRP A 29 7.065 -3.201 12.956 1.00 25.00 H new ATOM 425 N ARG A 30 10.082 -5.627 8.258 1.00 25.00 N ATOM 426 CA ARG A 30 10.455 -6.185 9.553 1.00 25.00 C ATOM 427 C ARG A 30 10.652 -5.061 10.559 1.00 25.00 C ATOM 428 O ARG A 30 10.902 -3.915 10.173 1.00 25.00 O ATOM 429 CB ARG A 30 11.729 -7.026 9.445 1.00 25.00 C ATOM 430 CG ARG A 30 11.565 -8.293 8.629 1.00 25.00 C ATOM 431 CD ARG A 30 12.784 -9.179 8.730 1.00 25.00 C ATOM 432 NE ARG A 30 12.949 -9.738 10.076 1.00 25.00 N ATOM 433 CZ ARG A 30 14.052 -10.366 10.513 1.00 25.00 C ATOM 434 NH1 ARG A 30 15.115 -10.529 9.726 1.00 25.00 N ATOM 435 NH2 ARG A 30 14.087 -10.836 11.754 1.00 25.00 N ATOM 0 H ARG A 30 10.721 -4.912 7.911 1.00 25.00 H new ATOM 0 HA ARG A 30 9.650 -6.837 9.892 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.516 -6.418 8.999 1.00 25.00 H new ATOM 0 HB3 ARG A 30 12.062 -7.293 10.448 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.688 -8.839 8.976 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.388 -8.034 7.585 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.702 -9.991 8.008 1.00 25.00 H new ATOM 0 HD3 ARG A 30 13.672 -8.605 8.465 1.00 25.00 H new ATOM 0 HE ARG A 30 12.169 -9.643 10.727 1.00 25.00 H new ATOM 0 HH11 ARG A 30 15.101 -10.173 8.770 1.00 25.00 H new ATOM 0 HH12 ARG A 30 15.942 -11.009 10.080 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.280 -10.719 12.367 1.00 25.00 H new ATOM 0 HH22 ARG A 30 14.921 -11.315 12.095 1.00 25.00 H new ATOM 449 N SER A 31 10.531 -5.389 11.852 1.00 25.00 N ATOM 450 CA SER A 31 10.744 -4.411 12.925 1.00 25.00 C ATOM 451 C SER A 31 12.227 -3.999 12.978 1.00 25.00 C ATOM 452 O SER A 31 13.057 -4.633 12.316 1.00 25.00 O ATOM 453 CB SER A 31 10.265 -4.997 14.270 1.00 25.00 C ATOM 454 OG SER A 31 10.919 -6.210 14.604 1.00 25.00 O ATOM 0 H SER A 31 10.287 -6.324 12.179 1.00 25.00 H new ATOM 0 HA SER A 31 10.159 -3.513 12.724 1.00 25.00 H new ATOM 0 HB2 SER A 31 10.437 -4.267 15.061 1.00 25.00 H new ATOM 0 HB3 SER A 31 9.190 -5.170 14.224 1.00 25.00 H new ATOM 0 HG SER A 31 10.737 -6.433 15.541 1.00 25.00 H new ATOM 460 N THR A 32 12.567 -2.957 13.748 1.00 25.00 N ATOM 461 CA THR A 32 13.973 -2.497 13.849 1.00 25.00 C ATOM 462 C THR A 32 14.924 -3.614 14.321 1.00 25.00 C ATOM 463 O THR A 32 16.109 -3.619 13.970 1.00 25.00 O ATOM 464 CB THR A 32 14.123 -1.262 14.764 1.00 25.00 C ATOM 465 OG1 THR A 32 13.171 -0.251 14.405 1.00 25.00 O ATOM 466 CG2 THR A 32 15.539 -0.699 14.687 1.00 25.00 C ATOM 0 H THR A 32 11.904 -2.418 14.306 1.00 25.00 H new ATOM 0 HA THR A 32 14.258 -2.210 12.837 1.00 25.00 H new ATOM 0 HB THR A 32 13.931 -1.577 15.790 1.00 25.00 H new ATOM 0 HG1 THR A 32 12.267 -0.628 14.435 1.00 25.00 H new ATOM 0 HG21 THR A 32 15.621 0.170 15.340 1.00 25.00 H new ATOM 0 HG22 THR A 32 16.251 -1.460 15.005 1.00 25.00 H new ATOM 0 HG23 THR A 32 15.758 -0.404 13.661 1.00 25.00 H new ATOM 474 N ASP A 33 14.382 -4.562 15.099 1.00 25.00 N ATOM 475 CA ASP A 33 15.103 -5.784 15.473 1.00 25.00 C ATOM 476 C ASP A 33 14.649 -6.957 14.581 1.00 25.00 C ATOM 477 O ASP A 33 15.416 -7.891 14.328 1.00 25.00 O ATOM 478 CB ASP A 33 14.867 -6.101 16.959 1.00 25.00 C ATOM 479 CG ASP A 33 15.417 -5.036 17.896 1.00 25.00 C ATOM 480 OD1 ASP A 33 16.576 -4.612 17.698 1.00 25.00 O ATOM 481 OD2 ASP A 33 14.689 -4.628 18.825 1.00 25.00 O ATOM 0 H ASP A 33 13.439 -4.503 15.483 1.00 25.00 H new ATOM 0 HA ASP A 33 16.172 -5.631 15.322 1.00 25.00 H new ATOM 0 HB2 ASP A 33 13.797 -6.212 17.134 1.00 25.00 H new ATOM 0 HB3 ASP A 33 15.330 -7.059 17.197 1.00 25.00 H new ATOM 486 N GLY A 34 13.392 -6.881 14.118 1.00 25.00 N ATOM 487 CA GLY A 34 12.821 -7.879 13.216 1.00 25.00 C ATOM 488 C GLY A 34 11.948 -8.907 13.918 1.00 25.00 C ATOM 489 O GLY A 34 11.681 -9.976 13.359 1.00 25.00 O ATOM 0 H GLY A 34 12.749 -6.127 14.360 1.00 25.00 H new ATOM 0 HA2 GLY A 34 12.229 -7.371 12.455 1.00 25.00 H new ATOM 0 HA3 GLY A 34 13.630 -8.395 12.699 1.00 25.00 H new ATOM 493 N ASP A 35 11.500 -8.584 15.143 1.00 25.00 N ATOM 494 CA ASP A 35 10.581 -9.446 15.902 1.00 25.00 C ATOM 495 C ASP A 35 9.178 -9.438 15.264 1.00 25.00 C ATOM 496 O ASP A 35 8.449 -10.432 15.334 1.00 25.00 O ATOM 497 CB ASP A 35 10.515 -8.979 17.366 1.00 25.00 C ATOM 498 CG ASP A 35 10.002 -7.555 17.522 1.00 25.00 C ATOM 499 OD1 ASP A 35 10.620 -6.636 16.942 1.00 25.00 O ATOM 500 OD2 ASP A 35 8.985 -7.362 18.219 1.00 25.00 O ATOM 0 H ASP A 35 11.762 -7.727 15.630 1.00 25.00 H new ATOM 0 HA ASP A 35 10.956 -10.469 15.877 1.00 25.00 H new ATOM 0 HB2 ASP A 35 9.868 -9.654 17.926 1.00 25.00 H new ATOM 0 HB3 ASP A 35 11.509 -9.050 17.808 1.00 25.00 H new ATOM 505 N LYS A 36 8.825 -8.302 14.646 1.00 25.00 N ATOM 506 CA LYS A 36 7.582 -8.167 13.885 1.00 25.00 C ATOM 507 C LYS A 36 7.903 -8.183 12.388 1.00 25.00 C ATOM 508 O LYS A 36 8.875 -7.559 11.956 1.00 25.00 O ATOM 509 CB LYS A 36 6.878 -6.855 14.253 1.00 25.00 C ATOM 510 CG LYS A 36 6.326 -6.812 15.661 1.00 25.00 C ATOM 511 CD LYS A 36 5.569 -5.519 15.874 1.00 25.00 C ATOM 512 CE LYS A 36 5.899 -4.894 17.214 1.00 25.00 C ATOM 513 NZ LYS A 36 7.353 -4.974 17.527 1.00 25.00 N ATOM 0 H LYS A 36 9.393 -7.455 14.661 1.00 25.00 H new ATOM 0 HA LYS A 36 6.919 -8.998 14.126 1.00 25.00 H new ATOM 0 HB2 LYS A 36 7.582 -6.032 14.127 1.00 25.00 H new ATOM 0 HB3 LYS A 36 6.061 -6.686 13.551 1.00 25.00 H new ATOM 0 HG2 LYS A 36 5.666 -7.663 15.829 1.00 25.00 H new ATOM 0 HG3 LYS A 36 7.139 -6.892 16.383 1.00 25.00 H new ATOM 0 HD2 LYS A 36 5.812 -4.818 15.075 1.00 25.00 H new ATOM 0 HD3 LYS A 36 4.497 -5.710 15.815 1.00 25.00 H new ATOM 0 HE2 LYS A 36 5.586 -3.850 17.214 1.00 25.00 H new ATOM 0 HE3 LYS A 36 5.332 -5.397 17.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 36 7.592 -4.266 18.251 1.00 25.00 H new ATOM 0 HZ2 LYS A 36 7.580 -5.924 17.884 1.00 25.00 H new ATOM 0 HZ3 LYS A 36 7.904 -4.787 16.665 1.00 25.00 H new ATOM 527 N VAL A 37 7.091 -8.899 11.602 1.00 25.00 N ATOM 528 CA VAL A 37 7.344 -9.034 10.162 1.00 25.00 C ATOM 529 C VAL A 37 6.027 -9.124 9.354 1.00 25.00 C ATOM 530 O VAL A 37 5.107 -9.859 9.725 1.00 25.00 O ATOM 531 CB VAL A 37 8.298 -10.251 9.872 1.00 25.00 C ATOM 532 CG1 VAL A 37 7.791 -11.565 10.478 1.00 25.00 C ATOM 533 CG2 VAL A 37 8.564 -10.409 8.376 1.00 25.00 C ATOM 0 H VAL A 37 6.261 -9.390 11.934 1.00 25.00 H new ATOM 0 HA VAL A 37 7.853 -8.130 9.827 1.00 25.00 H new ATOM 0 HB VAL A 37 9.242 -10.020 10.366 1.00 25.00 H new ATOM 0 HG11 VAL A 37 8.491 -12.367 10.244 1.00 25.00 H new ATOM 0 HG12 VAL A 37 7.709 -11.459 11.560 1.00 25.00 H new ATOM 0 HG13 VAL A 37 6.813 -11.804 10.061 1.00 25.00 H new ATOM 0 HG21 VAL A 37 9.226 -11.259 8.212 1.00 25.00 H new ATOM 0 HG22 VAL A 37 7.622 -10.578 7.855 1.00 25.00 H new ATOM 0 HG23 VAL A 37 9.034 -9.503 7.992 1.00 25.00 H new ATOM 543 N HIS A 38 5.966 -8.356 8.255 1.00 25.00 N ATOM 544 CA HIS A 38 4.827 -8.379 7.326 1.00 25.00 C ATOM 545 C HIS A 38 5.338 -8.575 5.890 1.00 25.00 C ATOM 546 O HIS A 38 6.422 -8.095 5.549 1.00 25.00 O ATOM 547 CB HIS A 38 4.017 -7.074 7.439 1.00 25.00 C ATOM 548 CG HIS A 38 3.390 -6.854 8.787 1.00 25.00 C ATOM 549 ND1 HIS A 38 3.752 -6.050 9.817 1.00 25.00 N flip ATOM 550 CD2 HIS A 38 2.249 -7.510 9.201 1.00 25.00 C flip ATOM 551 CE1 HIS A 38 2.834 -6.233 10.820 1.00 25.00 C flip ATOM 552 NE2 HIS A 38 1.936 -7.117 10.424 1.00 25.00 N flip ATOM 0 H HIS A 38 6.703 -7.704 7.987 1.00 25.00 H new ATOM 0 HA HIS A 38 4.170 -9.210 7.585 1.00 25.00 H new ATOM 0 HB2 HIS A 38 4.672 -6.232 7.213 1.00 25.00 H new ATOM 0 HB3 HIS A 38 3.233 -7.080 6.682 1.00 25.00 H new ATOM 0 HD1 HIS A 38 4.558 -5.425 9.842 1.00 25.00 H new ATOM 0 HD2 HIS A 38 1.697 -8.232 8.617 1.00 25.00 H new ATOM 0 HE1 HIS A 38 2.844 -5.735 11.778 1.00 25.00 H new ATOM 561 N THR A 39 4.557 -9.279 5.057 1.00 25.00 N ATOM 562 CA THR A 39 4.992 -9.619 3.694 1.00 25.00 C ATOM 563 C THR A 39 3.934 -9.234 2.642 1.00 25.00 C ATOM 564 O THR A 39 2.764 -9.612 2.752 1.00 25.00 O ATOM 565 CB THR A 39 5.334 -11.132 3.587 1.00 25.00 C ATOM 566 OG1 THR A 39 6.414 -11.448 4.476 1.00 25.00 O ATOM 567 CG2 THR A 39 5.739 -11.531 2.168 1.00 25.00 C ATOM 0 H THR A 39 3.628 -9.622 5.301 1.00 25.00 H new ATOM 0 HA THR A 39 5.891 -9.039 3.487 1.00 25.00 H new ATOM 0 HB THR A 39 4.435 -11.686 3.857 1.00 25.00 H new ATOM 0 HG1 THR A 39 6.626 -12.402 4.407 1.00 25.00 H new ATOM 0 HG21 THR A 39 5.969 -12.596 2.141 1.00 25.00 H new ATOM 0 HG22 THR A 39 4.918 -11.319 1.482 1.00 25.00 H new ATOM 0 HG23 THR A 39 6.619 -10.962 1.867 1.00 25.00 H new ATOM 575 N VAL A 40 4.381 -8.475 1.628 1.00 25.00 N ATOM 576 CA VAL A 40 3.548 -8.084 0.487 1.00 25.00 C ATOM 577 C VAL A 40 4.033 -8.797 -0.793 1.00 25.00 C ATOM 578 O VAL A 40 5.069 -8.439 -1.345 1.00 25.00 O ATOM 579 CB VAL A 40 3.607 -6.525 0.314 1.00 25.00 C ATOM 580 CG1 VAL A 40 2.915 -6.003 -0.954 1.00 25.00 C ATOM 581 CG2 VAL A 40 3.022 -5.826 1.525 1.00 25.00 C ATOM 0 H VAL A 40 5.334 -8.116 1.580 1.00 25.00 H new ATOM 0 HA VAL A 40 2.515 -8.381 0.668 1.00 25.00 H new ATOM 0 HB VAL A 40 4.667 -6.292 0.213 1.00 25.00 H new ATOM 0 HG11 VAL A 40 3.002 -4.917 -0.996 1.00 25.00 H new ATOM 0 HG12 VAL A 40 3.389 -6.439 -1.833 1.00 25.00 H new ATOM 0 HG13 VAL A 40 1.861 -6.282 -0.934 1.00 25.00 H new ATOM 0 HG21 VAL A 40 3.074 -4.747 1.382 1.00 25.00 H new ATOM 0 HG22 VAL A 40 1.982 -6.126 1.651 1.00 25.00 H new ATOM 0 HG23 VAL A 40 3.589 -6.102 2.414 1.00 25.00 H new ATOM 591 N VAL A 41 3.263 -9.781 -1.274 1.00 25.00 N ATOM 592 CA VAL A 41 3.569 -10.451 -2.543 1.00 25.00 C ATOM 593 C VAL A 41 3.032 -9.584 -3.696 1.00 25.00 C ATOM 594 O VAL A 41 1.840 -9.273 -3.737 1.00 25.00 O ATOM 595 CB VAL A 41 2.960 -11.891 -2.597 1.00 25.00 C ATOM 596 CG1 VAL A 41 3.256 -12.588 -3.926 1.00 25.00 C ATOM 597 CG2 VAL A 41 3.490 -12.739 -1.446 1.00 25.00 C ATOM 0 H VAL A 41 2.427 -10.129 -0.805 1.00 25.00 H new ATOM 0 HA VAL A 41 4.649 -10.564 -2.636 1.00 25.00 H new ATOM 0 HB VAL A 41 1.879 -11.785 -2.505 1.00 25.00 H new ATOM 0 HG11 VAL A 41 2.815 -13.585 -3.920 1.00 25.00 H new ATOM 0 HG12 VAL A 41 2.830 -12.007 -4.744 1.00 25.00 H new ATOM 0 HG13 VAL A 41 4.334 -12.669 -4.062 1.00 25.00 H new ATOM 0 HG21 VAL A 41 3.056 -13.737 -1.500 1.00 25.00 H new ATOM 0 HG22 VAL A 41 4.575 -12.811 -1.517 1.00 25.00 H new ATOM 0 HG23 VAL A 41 3.218 -12.276 -0.498 1.00 25.00 H new ATOM 607 N LEU A 42 3.920 -9.192 -4.616 1.00 25.00 N ATOM 608 CA LEU A 42 3.569 -8.216 -5.666 1.00 25.00 C ATOM 609 C LEU A 42 2.678 -8.791 -6.776 1.00 25.00 C ATOM 610 O LEU A 42 1.981 -8.032 -7.457 1.00 25.00 O ATOM 611 CB LEU A 42 4.818 -7.598 -6.327 1.00 25.00 C ATOM 612 CG LEU A 42 5.608 -6.525 -5.535 1.00 25.00 C ATOM 613 CD1 LEU A 42 4.696 -5.425 -5.020 1.00 25.00 C ATOM 614 CD2 LEU A 42 6.391 -7.133 -4.384 1.00 25.00 C ATOM 0 H LEU A 42 4.881 -9.530 -4.659 1.00 25.00 H new ATOM 0 HA LEU A 42 3.005 -7.449 -5.135 1.00 25.00 H new ATOM 0 HB2 LEU A 42 5.505 -8.410 -6.565 1.00 25.00 H new ATOM 0 HB3 LEU A 42 4.509 -7.154 -7.273 1.00 25.00 H new ATOM 0 HG LEU A 42 6.318 -6.085 -6.235 1.00 25.00 H new ATOM 0 HD11 LEU A 42 5.285 -4.691 -4.470 1.00 25.00 H new ATOM 0 HD12 LEU A 42 4.203 -4.937 -5.861 1.00 25.00 H new ATOM 0 HD13 LEU A 42 3.944 -5.856 -4.359 1.00 25.00 H new ATOM 0 HD21 LEU A 42 6.930 -6.347 -3.855 1.00 25.00 H new ATOM 0 HD22 LEU A 42 5.704 -7.627 -3.697 1.00 25.00 H new ATOM 0 HD23 LEU A 42 7.102 -7.862 -4.773 1.00 25.00 H new ATOM 626 N SER A 43 2.704 -10.123 -6.968 1.00 25.00 N ATOM 627 CA SER A 43 1.893 -10.782 -8.012 1.00 25.00 C ATOM 628 C SER A 43 0.385 -10.674 -7.704 1.00 25.00 C ATOM 629 O SER A 43 -0.459 -10.982 -8.553 1.00 25.00 O ATOM 630 CB SER A 43 2.322 -12.251 -8.163 1.00 25.00 C ATOM 631 OG SER A 43 2.058 -13.000 -6.985 1.00 25.00 O ATOM 0 H SER A 43 3.275 -10.763 -6.417 1.00 25.00 H new ATOM 0 HA SER A 43 2.068 -10.268 -8.957 1.00 25.00 H new ATOM 0 HB2 SER A 43 1.794 -12.699 -9.005 1.00 25.00 H new ATOM 0 HB3 SER A 43 3.387 -12.297 -8.393 1.00 25.00 H new ATOM 0 HG SER A 43 2.342 -13.929 -7.117 1.00 25.00 H new ATOM 637 N THR A 44 0.077 -10.228 -6.478 1.00 25.00 N ATOM 638 CA THR A 44 -1.291 -9.927 -6.056 1.00 25.00 C ATOM 639 C THR A 44 -1.451 -8.414 -5.753 1.00 25.00 C ATOM 640 O THR A 44 -2.442 -7.982 -5.157 1.00 25.00 O ATOM 641 CB THR A 44 -1.718 -10.808 -4.839 1.00 25.00 C ATOM 642 OG1 THR A 44 -0.849 -10.576 -3.730 1.00 25.00 O ATOM 643 CG2 THR A 44 -1.739 -12.303 -5.164 1.00 25.00 C ATOM 0 H THR A 44 0.775 -10.067 -5.752 1.00 25.00 H new ATOM 0 HA THR A 44 -1.961 -10.174 -6.879 1.00 25.00 H new ATOM 0 HB THR A 44 -2.737 -10.514 -4.587 1.00 25.00 H new ATOM 0 HG1 THR A 44 -0.112 -9.993 -4.008 1.00 25.00 H new ATOM 0 HG21 THR A 44 -2.043 -12.863 -4.280 1.00 25.00 H new ATOM 0 HG22 THR A 44 -2.446 -12.490 -5.973 1.00 25.00 H new ATOM 0 HG23 THR A 44 -0.743 -12.623 -5.471 1.00 25.00 H new ATOM 651 N ILE A 45 -0.451 -7.631 -6.187 1.00 25.00 N ATOM 652 CA ILE A 45 -0.462 -6.162 -6.089 1.00 25.00 C ATOM 653 C ILE A 45 -0.622 -5.572 -7.501 1.00 25.00 C ATOM 654 O ILE A 45 -0.071 -6.108 -8.465 1.00 25.00 O ATOM 655 CB ILE A 45 0.859 -5.635 -5.417 1.00 25.00 C ATOM 656 CG1 ILE A 45 0.966 -6.087 -3.928 1.00 25.00 C ATOM 657 CG2 ILE A 45 1.017 -4.110 -5.533 1.00 25.00 C ATOM 658 CD1 ILE A 45 -0.013 -5.438 -2.943 1.00 25.00 C ATOM 0 H ILE A 45 0.395 -8.002 -6.619 1.00 25.00 H new ATOM 0 HA ILE A 45 -1.297 -5.848 -5.463 1.00 25.00 H new ATOM 0 HB ILE A 45 1.681 -6.086 -5.973 1.00 25.00 H new ATOM 0 HG12 ILE A 45 0.824 -7.167 -3.888 1.00 25.00 H new ATOM 0 HG13 ILE A 45 1.980 -5.886 -3.583 1.00 25.00 H new ATOM 0 HG21 ILE A 45 1.946 -3.803 -5.052 1.00 25.00 H new ATOM 0 HG22 ILE A 45 1.042 -3.826 -6.585 1.00 25.00 H new ATOM 0 HG23 ILE A 45 0.176 -3.619 -5.044 1.00 25.00 H new ATOM 0 HD11 ILE A 45 0.161 -5.834 -1.943 1.00 25.00 H new ATOM 0 HD12 ILE A 45 0.139 -4.359 -2.937 1.00 25.00 H new ATOM 0 HD13 ILE A 45 -1.036 -5.659 -3.248 1.00 25.00 H new ATOM 670 N ASP A 46 -1.378 -4.470 -7.605 1.00 25.00 N ATOM 671 CA ASP A 46 -1.673 -3.851 -8.900 1.00 25.00 C ATOM 672 C ASP A 46 -1.002 -2.471 -9.037 1.00 25.00 C ATOM 673 O ASP A 46 -0.360 -2.199 -10.054 1.00 25.00 O ATOM 674 CB ASP A 46 -3.201 -3.758 -9.100 1.00 25.00 C ATOM 675 CG ASP A 46 -3.611 -3.237 -10.472 1.00 25.00 C ATOM 676 OD1 ASP A 46 -3.255 -3.880 -11.481 1.00 25.00 O ATOM 677 OD2 ASP A 46 -4.287 -2.187 -10.530 1.00 25.00 O ATOM 0 H ASP A 46 -1.795 -3.991 -6.807 1.00 25.00 H new ATOM 0 HA ASP A 46 -1.256 -4.481 -9.686 1.00 25.00 H new ATOM 0 HB2 ASP A 46 -3.638 -4.745 -8.951 1.00 25.00 H new ATOM 0 HB3 ASP A 46 -3.619 -3.105 -8.334 1.00 25.00 H new ATOM 682 N LYS A 47 -1.156 -1.609 -8.016 1.00 25.00 N ATOM 683 CA LYS A 47 -0.641 -0.260 -8.053 1.00 25.00 C ATOM 684 C LYS A 47 0.134 0.067 -6.757 1.00 25.00 C ATOM 685 O LYS A 47 0.098 -0.703 -5.793 1.00 25.00 O ATOM 686 CB LYS A 47 -1.835 0.679 -8.203 1.00 25.00 C ATOM 687 CG LYS A 47 -2.559 0.560 -9.516 1.00 25.00 C ATOM 688 CD LYS A 47 -3.773 1.484 -9.610 1.00 25.00 C ATOM 689 CE LYS A 47 -4.496 1.339 -10.938 1.00 25.00 C ATOM 690 NZ LYS A 47 -5.626 2.297 -11.074 1.00 25.00 N ATOM 0 H LYS A 47 -1.643 -1.843 -7.151 1.00 25.00 H new ATOM 0 HA LYS A 47 0.052 -0.144 -8.886 1.00 25.00 H new ATOM 0 HB2 LYS A 47 -2.539 0.483 -7.395 1.00 25.00 H new ATOM 0 HB3 LYS A 47 -1.491 1.706 -8.084 1.00 25.00 H new ATOM 0 HG2 LYS A 47 -1.869 0.790 -10.328 1.00 25.00 H new ATOM 0 HG3 LYS A 47 -2.882 -0.472 -9.655 1.00 25.00 H new ATOM 0 HD2 LYS A 47 -4.462 1.261 -8.796 1.00 25.00 H new ATOM 0 HD3 LYS A 47 -3.453 2.518 -9.482 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -3.789 1.496 -11.753 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -4.872 0.321 -11.035 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -6.088 2.160 -11.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -6.315 2.131 -10.313 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -5.266 3.270 -11.009 1.00 25.00 H new ATOM 704 N LEU A 48 0.835 1.219 -6.759 1.00 25.00 N ATOM 705 CA LEU A 48 1.613 1.692 -5.595 1.00 25.00 C ATOM 706 C LEU A 48 1.573 3.229 -5.556 1.00 25.00 C ATOM 707 O LEU A 48 1.797 3.875 -6.585 1.00 25.00 O ATOM 708 CB LEU A 48 3.094 1.226 -5.662 1.00 25.00 C ATOM 709 CG LEU A 48 3.325 -0.270 -5.849 1.00 25.00 C ATOM 710 CD1 LEU A 48 4.809 -0.606 -5.925 1.00 25.00 C ATOM 711 CD2 LEU A 48 2.686 -1.027 -4.727 1.00 25.00 C ATOM 0 H LEU A 48 0.878 1.845 -7.563 1.00 25.00 H new ATOM 0 HA LEU A 48 1.166 1.268 -4.696 1.00 25.00 H new ATOM 0 HB2 LEU A 48 3.581 1.752 -6.483 1.00 25.00 H new ATOM 0 HB3 LEU A 48 3.592 1.537 -4.744 1.00 25.00 H new ATOM 0 HG LEU A 48 2.870 -0.563 -6.795 1.00 25.00 H new ATOM 0 HD11 LEU A 48 4.932 -1.681 -6.058 1.00 25.00 H new ATOM 0 HD12 LEU A 48 5.258 -0.082 -6.769 1.00 25.00 H new ATOM 0 HD13 LEU A 48 5.300 -0.296 -5.002 1.00 25.00 H new ATOM 0 HD21 LEU A 48 2.854 -2.095 -4.866 1.00 25.00 H new ATOM 0 HD22 LEU A 48 3.123 -0.711 -3.780 1.00 25.00 H new ATOM 0 HD23 LEU A 48 1.615 -0.827 -4.717 1.00 25.00 H new ATOM 723 N GLN A 49 1.290 3.815 -4.378 1.00 25.00 N ATOM 724 CA GLN A 49 1.149 5.282 -4.255 1.00 25.00 C ATOM 725 C GLN A 49 2.001 5.845 -3.100 1.00 25.00 C ATOM 726 O GLN A 49 1.737 5.564 -1.931 1.00 25.00 O ATOM 727 CB GLN A 49 -0.341 5.662 -4.063 1.00 25.00 C ATOM 728 CG GLN A 49 -1.164 5.678 -5.357 1.00 25.00 C ATOM 729 CD GLN A 49 -2.391 6.574 -5.286 1.00 25.00 C ATOM 730 OE1 GLN A 49 -2.631 7.239 -4.279 1.00 25.00 O ATOM 731 NE2 GLN A 49 -3.178 6.591 -6.357 1.00 25.00 N ATOM 0 H GLN A 49 1.155 3.304 -3.506 1.00 25.00 H new ATOM 0 HA GLN A 49 1.516 5.728 -5.179 1.00 25.00 H new ATOM 0 HB2 GLN A 49 -0.796 4.958 -3.367 1.00 25.00 H new ATOM 0 HB3 GLN A 49 -0.395 6.648 -3.601 1.00 25.00 H new ATOM 0 HG2 GLN A 49 -0.529 6.010 -6.178 1.00 25.00 H new ATOM 0 HG3 GLN A 49 -1.480 4.661 -5.590 1.00 25.00 H new ATOM 0 HE21 GLN A 49 -2.943 6.024 -7.172 1.00 25.00 H new ATOM 0 HE22 GLN A 49 -4.017 7.171 -6.364 1.00 25.00 H new ATOM 740 N ALA A 50 3.016 6.663 -3.447 1.00 25.00 N ATOM 741 CA ALA A 50 3.955 7.228 -2.458 1.00 25.00 C ATOM 742 C ALA A 50 3.854 8.759 -2.358 1.00 25.00 C ATOM 743 O ALA A 50 3.422 9.425 -3.303 1.00 25.00 O ATOM 744 CB ALA A 50 5.377 6.820 -2.817 1.00 25.00 C ATOM 0 H ALA A 50 3.206 6.947 -4.408 1.00 25.00 H new ATOM 0 HA ALA A 50 3.685 6.827 -1.481 1.00 25.00 H new ATOM 0 HB1 ALA A 50 6.071 7.237 -2.087 1.00 25.00 H new ATOM 0 HB2 ALA A 50 5.456 5.733 -2.812 1.00 25.00 H new ATOM 0 HB3 ALA A 50 5.624 7.198 -3.809 1.00 25.00 H new ATOM 750 N THR A 51 4.267 9.303 -1.190 1.00 25.00 N ATOM 751 CA THR A 51 4.222 10.755 -0.911 1.00 25.00 C ATOM 752 C THR A 51 5.282 11.528 -1.731 1.00 25.00 C ATOM 753 O THR A 51 6.470 11.205 -1.645 1.00 25.00 O ATOM 754 CB THR A 51 4.449 11.073 0.594 1.00 25.00 C ATOM 755 OG1 THR A 51 4.301 12.479 0.835 1.00 25.00 O ATOM 756 CG2 THR A 51 5.834 10.628 1.062 1.00 25.00 C ATOM 0 H THR A 51 4.639 8.750 -0.418 1.00 25.00 H new ATOM 0 HA THR A 51 3.222 11.077 -1.200 1.00 25.00 H new ATOM 0 HB THR A 51 3.698 10.519 1.158 1.00 25.00 H new ATOM 0 HG1 THR A 51 4.944 12.763 1.518 1.00 25.00 H new ATOM 0 HG21 THR A 51 5.955 10.867 2.119 1.00 25.00 H new ATOM 0 HG22 THR A 51 5.938 9.552 0.919 1.00 25.00 H new ATOM 0 HG23 THR A 51 6.598 11.147 0.483 1.00 25.00 H new ATOM 764 N PRO A 52 4.872 12.557 -2.548 1.00 25.00 N ATOM 765 CA PRO A 52 5.825 13.434 -3.274 1.00 25.00 C ATOM 766 C PRO A 52 6.788 14.182 -2.338 1.00 25.00 C ATOM 767 O PRO A 52 6.553 14.263 -1.129 1.00 25.00 O ATOM 768 CB PRO A 52 4.926 14.456 -3.986 1.00 25.00 C ATOM 769 CG PRO A 52 3.585 13.821 -4.098 1.00 25.00 C ATOM 770 CD PRO A 52 3.465 12.922 -2.849 1.00 25.00 C ATOM 0 HA PRO A 52 6.456 12.845 -3.940 1.00 25.00 H new ATOM 0 HB2 PRO A 52 4.870 15.386 -3.421 1.00 25.00 H new ATOM 0 HB3 PRO A 52 5.323 14.704 -4.970 1.00 25.00 H new ATOM 0 HG2 PRO A 52 2.794 14.570 -4.123 1.00 25.00 H new ATOM 0 HG3 PRO A 52 3.500 13.237 -5.015 1.00 25.00 H new ATOM 0 HD2 PRO A 52 3.001 13.451 -2.017 1.00 25.00 H new ATOM 0 HD3 PRO A 52 2.855 12.040 -3.046 1.00 25.00 H new ATOM 778 N ALA A 53 7.868 14.733 -2.921 1.00 25.00 N ATOM 779 CA ALA A 53 8.867 15.513 -2.171 1.00 25.00 C ATOM 780 C ALA A 53 8.345 16.906 -1.794 1.00 25.00 C ATOM 781 O ALA A 53 8.987 17.633 -1.027 1.00 25.00 O ATOM 782 CB ALA A 53 10.155 15.625 -2.977 1.00 25.00 C ATOM 0 H ALA A 53 8.071 14.651 -3.917 1.00 25.00 H new ATOM 0 HA ALA A 53 9.070 14.983 -1.241 1.00 25.00 H new ATOM 0 HB1 ALA A 53 10.887 16.204 -2.414 1.00 25.00 H new ATOM 0 HB2 ALA A 53 10.551 14.628 -3.170 1.00 25.00 H new ATOM 0 HB3 ALA A 53 9.949 16.124 -3.924 1.00 25.00 H new ATOM 788 N SER A 54 7.180 17.262 -2.347 1.00 25.00 N ATOM 789 CA SER A 54 6.479 18.499 -2.000 1.00 25.00 C ATOM 790 C SER A 54 5.432 18.252 -0.908 1.00 25.00 C ATOM 791 O SER A 54 4.968 19.190 -0.252 1.00 25.00 O ATOM 792 CB SER A 54 5.804 19.080 -3.238 1.00 25.00 C ATOM 793 OG SER A 54 4.745 18.252 -3.684 1.00 25.00 O ATOM 0 H SER A 54 6.698 16.699 -3.048 1.00 25.00 H new ATOM 0 HA SER A 54 7.213 19.209 -1.618 1.00 25.00 H new ATOM 0 HB2 SER A 54 5.420 20.075 -3.012 1.00 25.00 H new ATOM 0 HB3 SER A 54 6.539 19.195 -4.035 1.00 25.00 H new ATOM 0 HG SER A 54 4.330 18.650 -4.477 1.00 25.00 H new ATOM 799 N SER A 55 5.076 16.972 -0.725 1.00 25.00 N ATOM 800 CA SER A 55 4.090 16.547 0.272 1.00 25.00 C ATOM 801 C SER A 55 4.620 16.645 1.703 1.00 25.00 C ATOM 802 O SER A 55 5.783 16.333 1.975 1.00 25.00 O ATOM 803 CB SER A 55 3.640 15.123 -0.025 1.00 25.00 C ATOM 804 OG SER A 55 2.713 14.684 0.948 1.00 25.00 O ATOM 0 H SER A 55 5.467 16.202 -1.268 1.00 25.00 H new ATOM 0 HA SER A 55 3.242 17.228 0.201 1.00 25.00 H new ATOM 0 HB2 SER A 55 3.186 15.078 -1.015 1.00 25.00 H new ATOM 0 HB3 SER A 55 4.503 14.458 -0.040 1.00 25.00 H new ATOM 0 HG SER A 55 2.867 13.736 1.143 1.00 25.00 H new ATOM 810 N GLU A 56 3.733 17.092 2.608 1.00 25.00 N ATOM 811 CA GLU A 56 4.016 17.181 4.055 1.00 25.00 C ATOM 812 C GLU A 56 4.232 15.804 4.678 1.00 25.00 C ATOM 813 O GLU A 56 4.778 15.678 5.779 1.00 25.00 O ATOM 814 CB GLU A 56 2.843 17.848 4.771 1.00 25.00 C ATOM 815 CG GLU A 56 1.489 17.234 4.458 1.00 25.00 C ATOM 816 CD GLU A 56 1.008 17.561 3.057 1.00 25.00 C ATOM 817 OE1 GLU A 56 0.988 18.759 2.700 1.00 25.00 O ATOM 818 OE2 GLU A 56 0.652 16.620 2.317 1.00 25.00 O ATOM 0 H GLU A 56 2.795 17.404 2.358 1.00 25.00 H new ATOM 0 HA GLU A 56 4.928 17.767 4.170 1.00 25.00 H new ATOM 0 HB2 GLU A 56 3.012 17.797 5.847 1.00 25.00 H new ATOM 0 HB3 GLU A 56 2.821 18.904 4.502 1.00 25.00 H new ATOM 0 HG2 GLU A 56 1.550 16.152 4.574 1.00 25.00 H new ATOM 0 HG3 GLU A 56 0.757 17.591 5.182 1.00 25.00 H new ATOM 825 N LYS A 57 3.793 14.786 3.945 1.00 25.00 N ATOM 826 CA LYS A 57 3.752 13.422 4.420 1.00 25.00 C ATOM 827 C LYS A 57 4.978 12.615 4.012 1.00 25.00 C ATOM 828 O LYS A 57 5.658 12.938 3.033 1.00 25.00 O ATOM 829 CB LYS A 57 2.512 12.750 3.854 1.00 25.00 C ATOM 830 CG LYS A 57 1.196 13.232 4.427 1.00 25.00 C ATOM 831 CD LYS A 57 0.004 12.532 3.822 1.00 25.00 C ATOM 832 CE LYS A 57 -1.236 12.893 4.603 1.00 25.00 C ATOM 833 NZ LYS A 57 -1.267 12.248 5.945 1.00 25.00 N ATOM 0 H LYS A 57 3.452 14.895 2.990 1.00 25.00 H new ATOM 0 HA LYS A 57 3.733 13.453 5.509 1.00 25.00 H new ATOM 0 HB2 LYS A 57 2.497 12.902 2.775 1.00 25.00 H new ATOM 0 HB3 LYS A 57 2.592 11.676 4.023 1.00 25.00 H new ATOM 0 HG2 LYS A 57 1.195 13.075 5.506 1.00 25.00 H new ATOM 0 HG3 LYS A 57 1.104 14.305 4.261 1.00 25.00 H new ATOM 0 HD2 LYS A 57 -0.112 12.823 2.778 1.00 25.00 H new ATOM 0 HD3 LYS A 57 0.156 11.453 3.837 1.00 25.00 H new ATOM 0 HE2 LYS A 57 -1.286 13.975 4.721 1.00 25.00 H new ATOM 0 HE3 LYS A 57 -2.119 12.593 4.038 1.00 25.00 H new ATOM 0 HZ1 LYS A 57 -2.241 12.250 6.309 1.00 25.00 H new ATOM 0 HZ2 LYS A 57 -0.929 11.268 5.867 1.00 25.00 H new ATOM 0 HZ3 LYS A 57 -0.652 12.775 6.598 1.00 25.00 H new ATOM 847 N MET A 58 5.245 11.559 4.788 1.00 25.00 N ATOM 848 CA MET A 58 6.241 10.554 4.432 1.00 25.00 C ATOM 849 C MET A 58 5.607 9.169 4.527 1.00 25.00 C ATOM 850 O MET A 58 5.504 8.591 5.614 1.00 25.00 O ATOM 851 CB MET A 58 7.461 10.656 5.358 1.00 25.00 C ATOM 852 CG MET A 58 8.232 11.967 5.221 1.00 25.00 C ATOM 853 SD MET A 58 9.594 12.113 6.400 1.00 25.00 S ATOM 854 CE MET A 58 8.710 12.323 7.946 1.00 25.00 C ATOM 0 H MET A 58 4.776 11.381 5.676 1.00 25.00 H new ATOM 0 HA MET A 58 6.582 10.725 3.411 1.00 25.00 H new ATOM 0 HB2 MET A 58 7.131 10.546 6.391 1.00 25.00 H new ATOM 0 HB3 MET A 58 8.135 9.825 5.148 1.00 25.00 H new ATOM 0 HG2 MET A 58 8.626 12.046 4.208 1.00 25.00 H new ATOM 0 HG3 MET A 58 7.546 12.802 5.362 1.00 25.00 H new ATOM 0 HE1 MET A 58 9.396 12.687 8.711 1.00 25.00 H new ATOM 0 HE2 MET A 58 7.903 13.043 7.809 1.00 25.00 H new ATOM 0 HE3 MET A 58 8.293 11.366 8.259 1.00 25.00 H new ATOM 864 N MET A 59 5.178 8.641 3.367 1.00 25.00 N ATOM 865 CA MET A 59 4.428 7.384 3.293 1.00 25.00 C ATOM 866 C MET A 59 4.563 6.731 1.919 1.00 25.00 C ATOM 867 O MET A 59 4.825 7.404 0.917 1.00 25.00 O ATOM 868 CB MET A 59 2.940 7.633 3.592 1.00 25.00 C ATOM 869 CG MET A 59 2.309 8.756 2.773 1.00 25.00 C ATOM 870 SD MET A 59 1.837 8.336 1.061 1.00 25.00 S ATOM 871 CE MET A 59 0.872 9.737 0.495 1.00 25.00 C ATOM 0 H MET A 59 5.343 9.076 2.459 1.00 25.00 H new ATOM 0 HA MET A 59 4.847 6.709 4.039 1.00 25.00 H new ATOM 0 HB2 MET A 59 2.387 6.712 3.409 1.00 25.00 H new ATOM 0 HB3 MET A 59 2.829 7.866 4.651 1.00 25.00 H new ATOM 0 HG2 MET A 59 1.420 9.105 3.298 1.00 25.00 H new ATOM 0 HG3 MET A 59 3.008 9.591 2.741 1.00 25.00 H new ATOM 0 HE1 MET A 59 0.713 9.659 -0.581 1.00 25.00 H new ATOM 0 HE2 MET A 59 -0.092 9.745 1.004 1.00 25.00 H new ATOM 0 HE3 MET A 59 1.407 10.661 0.716 1.00 25.00 H new ATOM 881 N LEU A 60 4.380 5.406 1.896 1.00 25.00 N ATOM 882 CA LEU A 60 4.404 4.622 0.666 1.00 25.00 C ATOM 883 C LEU A 60 3.270 3.598 0.705 1.00 25.00 C ATOM 884 O LEU A 60 3.247 2.724 1.575 1.00 25.00 O ATOM 885 CB LEU A 60 5.765 3.915 0.528 1.00 25.00 C ATOM 886 CG LEU A 60 5.853 2.766 -0.492 1.00 25.00 C ATOM 887 CD1 LEU A 60 5.963 3.316 -1.891 1.00 25.00 C ATOM 888 CD2 LEU A 60 7.032 1.845 -0.240 1.00 25.00 C ATOM 0 H LEU A 60 4.211 4.850 2.734 1.00 25.00 H new ATOM 0 HA LEU A 60 4.265 5.276 -0.195 1.00 25.00 H new ATOM 0 HB2 LEU A 60 6.511 4.664 0.260 1.00 25.00 H new ATOM 0 HB3 LEU A 60 6.044 3.523 1.506 1.00 25.00 H new ATOM 0 HG LEU A 60 4.938 2.184 -0.377 1.00 25.00 H new ATOM 0 HD11 LEU A 60 6.024 2.492 -2.602 1.00 25.00 H new ATOM 0 HD12 LEU A 60 5.085 3.923 -2.114 1.00 25.00 H new ATOM 0 HD13 LEU A 60 6.859 3.932 -1.971 1.00 25.00 H new ATOM 0 HD21 LEU A 60 7.043 1.054 -0.990 1.00 25.00 H new ATOM 0 HD22 LEU A 60 7.959 2.415 -0.301 1.00 25.00 H new ATOM 0 HD23 LEU A 60 6.943 1.403 0.752 1.00 25.00 H new ATOM 900 N ARG A 61 2.338 3.699 -0.247 1.00 25.00 N ATOM 901 CA ARG A 61 1.165 2.823 -0.264 1.00 25.00 C ATOM 902 C ARG A 61 1.285 1.736 -1.328 1.00 25.00 C ATOM 903 O ARG A 61 1.810 1.964 -2.420 1.00 25.00 O ATOM 904 CB ARG A 61 -0.136 3.619 -0.459 1.00 25.00 C ATOM 905 CG ARG A 61 -1.392 2.788 -0.238 1.00 25.00 C ATOM 906 CD ARG A 61 -2.660 3.634 -0.217 1.00 25.00 C ATOM 907 NE ARG A 61 -2.998 4.162 -1.543 1.00 25.00 N ATOM 908 CZ ARG A 61 -4.021 4.999 -1.792 1.00 25.00 C ATOM 909 NH1 ARG A 61 -4.798 5.453 -0.808 1.00 25.00 N ATOM 910 NH2 ARG A 61 -4.268 5.383 -3.037 1.00 25.00 N ATOM 0 H ARG A 61 2.373 4.374 -1.011 1.00 25.00 H new ATOM 0 HA ARG A 61 1.125 2.338 0.712 1.00 25.00 H new ATOM 0 HB2 ARG A 61 -0.143 4.464 0.229 1.00 25.00 H new ATOM 0 HB3 ARG A 61 -0.154 4.030 -1.468 1.00 25.00 H new ATOM 0 HG2 ARG A 61 -1.472 2.040 -1.027 1.00 25.00 H new ATOM 0 HG3 ARG A 61 -1.304 2.248 0.705 1.00 25.00 H new ATOM 0 HD2 ARG A 61 -3.490 3.032 0.154 1.00 25.00 H new ATOM 0 HD3 ARG A 61 -2.530 4.462 0.479 1.00 25.00 H new ATOM 0 HE ARG A 61 -2.417 3.875 -2.331 1.00 25.00 H new ATOM 0 HH11 ARG A 61 -4.622 5.166 0.155 1.00 25.00 H new ATOM 0 HH12 ARG A 61 -5.569 6.087 -1.018 1.00 25.00 H new ATOM 0 HH21 ARG A 61 -3.683 5.044 -3.801 1.00 25.00 H new ATOM 0 HH22 ARG A 61 -5.043 6.018 -3.231 1.00 25.00 H new ATOM 924 N LEU A 62 0.796 0.549 -0.972 1.00 25.00 N ATOM 925 CA LEU A 62 0.814 -0.621 -1.843 1.00 25.00 C ATOM 926 C LEU A 62 -0.613 -1.122 -2.075 1.00 25.00 C ATOM 927 O LEU A 62 -1.229 -1.732 -1.196 1.00 25.00 O ATOM 928 CB LEU A 62 1.677 -1.727 -1.204 1.00 25.00 C ATOM 929 CG LEU A 62 3.036 -1.344 -0.568 1.00 25.00 C ATOM 930 CD1 LEU A 62 3.585 -2.498 0.242 1.00 25.00 C ATOM 931 CD2 LEU A 62 4.065 -0.881 -1.599 1.00 25.00 C ATOM 0 H LEU A 62 0.372 0.373 -0.061 1.00 25.00 H new ATOM 0 HA LEU A 62 1.245 -0.349 -2.806 1.00 25.00 H new ATOM 0 HB2 LEU A 62 1.076 -2.209 -0.432 1.00 25.00 H new ATOM 0 HB3 LEU A 62 1.872 -2.477 -1.971 1.00 25.00 H new ATOM 0 HG LEU A 62 2.846 -0.497 0.091 1.00 25.00 H new ATOM 0 HD11 LEU A 62 4.540 -2.212 0.682 1.00 25.00 H new ATOM 0 HD12 LEU A 62 2.882 -2.753 1.035 1.00 25.00 H new ATOM 0 HD13 LEU A 62 3.729 -3.362 -0.407 1.00 25.00 H new ATOM 0 HD21 LEU A 62 4.997 -0.626 -1.094 1.00 25.00 H new ATOM 0 HD22 LEU A 62 4.248 -1.682 -2.316 1.00 25.00 H new ATOM 0 HD23 LEU A 62 3.685 -0.004 -2.124 1.00 25.00 H new ATOM 943 N ILE A 63 -1.119 -0.860 -3.275 1.00 25.00 N ATOM 944 CA ILE A 63 -2.510 -1.152 -3.642 1.00 25.00 C ATOM 945 C ILE A 63 -2.627 -2.604 -4.137 1.00 25.00 C ATOM 946 O ILE A 63 -1.804 -3.066 -4.930 1.00 25.00 O ATOM 947 CB ILE A 63 -2.999 -0.143 -4.738 1.00 25.00 C ATOM 948 CG1 ILE A 63 -2.916 1.333 -4.273 1.00 25.00 C ATOM 949 CG2 ILE A 63 -4.426 -0.426 -5.205 1.00 25.00 C ATOM 950 CD1 ILE A 63 -3.165 2.366 -5.354 1.00 25.00 C ATOM 0 H ILE A 63 -0.577 -0.437 -4.028 1.00 25.00 H new ATOM 0 HA ILE A 63 -3.147 -1.037 -2.765 1.00 25.00 H new ATOM 0 HB ILE A 63 -2.314 -0.292 -5.573 1.00 25.00 H new ATOM 0 HG12 ILE A 63 -3.640 1.486 -3.473 1.00 25.00 H new ATOM 0 HG13 ILE A 63 -1.928 1.508 -3.847 1.00 25.00 H new ATOM 0 HG21 ILE A 63 -4.712 0.303 -5.963 1.00 25.00 H new ATOM 0 HG22 ILE A 63 -4.478 -1.429 -5.628 1.00 25.00 H new ATOM 0 HG23 ILE A 63 -5.107 -0.354 -4.357 1.00 25.00 H new ATOM 0 HD11 ILE A 63 -3.084 3.366 -4.927 1.00 25.00 H new ATOM 0 HD12 ILE A 63 -2.426 2.249 -6.146 1.00 25.00 H new ATOM 0 HD13 ILE A 63 -4.164 2.227 -5.767 1.00 25.00 H new ATOM 962 N GLY A 64 -3.672 -3.293 -3.671 1.00 25.00 N ATOM 963 CA GLY A 64 -3.836 -4.711 -3.946 1.00 25.00 C ATOM 964 C GLY A 64 -4.709 -5.002 -5.149 1.00 25.00 C ATOM 965 O GLY A 64 -5.426 -4.123 -5.641 1.00 25.00 O ATOM 0 H GLY A 64 -4.414 -2.886 -3.102 1.00 25.00 H new ATOM 0 HA2 GLY A 64 -2.854 -5.157 -4.105 1.00 25.00 H new ATOM 0 HA3 GLY A 64 -4.268 -5.194 -3.070 1.00 25.00 H new ATOM 969 N LYS A 65 -4.642 -6.254 -5.612 1.00 25.00 N ATOM 970 CA LYS A 65 -5.434 -6.725 -6.749 1.00 25.00 C ATOM 971 C LYS A 65 -6.806 -7.219 -6.291 1.00 25.00 C ATOM 972 O LYS A 65 -6.909 -7.987 -5.329 1.00 25.00 O ATOM 973 CB LYS A 65 -4.676 -7.830 -7.484 1.00 25.00 C ATOM 974 CG LYS A 65 -5.436 -8.356 -8.671 1.00 25.00 C ATOM 975 CD LYS A 65 -4.660 -9.415 -9.413 1.00 25.00 C ATOM 976 CE LYS A 65 -5.489 -9.953 -10.548 1.00 25.00 C ATOM 977 NZ LYS A 65 -4.797 -11.041 -11.293 1.00 25.00 N ATOM 0 H LYS A 65 -4.037 -6.969 -5.208 1.00 25.00 H new ATOM 0 HA LYS A 65 -5.594 -5.892 -7.434 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -3.711 -7.446 -7.815 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -4.474 -8.649 -6.794 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -6.388 -8.770 -8.338 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -5.666 -7.533 -9.348 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -3.730 -8.996 -9.797 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -4.389 -10.223 -8.734 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -6.434 -10.329 -10.157 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -5.729 -9.142 -11.235 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -5.409 -11.377 -12.064 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -3.907 -10.678 -11.690 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -4.591 -11.829 -10.646 1.00 25.00 H new ATOM 1019 N GLU A 68 -13.327 -9.232 -7.868 1.00 25.00 N ATOM 1020 CA GLU A 68 -14.710 -8.748 -7.729 1.00 25.00 C ATOM 1021 C GLU A 68 -15.751 -9.820 -8.094 1.00 25.00 C ATOM 1022 O GLU A 68 -16.958 -9.575 -7.991 1.00 25.00 O ATOM 1023 CB GLU A 68 -14.921 -7.478 -8.569 1.00 25.00 C ATOM 1024 CG GLU A 68 -14.834 -7.706 -10.077 1.00 25.00 C ATOM 1025 CD GLU A 68 -15.123 -6.450 -10.876 1.00 25.00 C ATOM 1026 OE1 GLU A 68 -15.373 -5.395 -10.254 1.00 25.00 O ATOM 1027 OE2 GLU A 68 -15.099 -6.520 -12.122 1.00 25.00 O ATOM 0 HA GLU A 68 -14.861 -8.509 -6.676 1.00 25.00 H new ATOM 0 HB2 GLU A 68 -15.898 -7.057 -8.332 1.00 25.00 H new ATOM 0 HB3 GLU A 68 -14.176 -6.737 -8.281 1.00 25.00 H new ATOM 0 HG2 GLU A 68 -13.838 -8.071 -10.328 1.00 25.00 H new ATOM 0 HG3 GLU A 68 -15.540 -8.485 -10.364 1.00 25.00 H new ATOM 1034 N SER A 69 -15.280 -11.008 -8.510 1.00 25.00 N ATOM 1035 CA SER A 69 -16.165 -12.145 -8.820 1.00 25.00 C ATOM 1036 C SER A 69 -16.707 -12.811 -7.540 1.00 25.00 C ATOM 1037 O SER A 69 -17.574 -13.690 -7.602 1.00 25.00 O ATOM 1038 CB SER A 69 -15.421 -13.173 -9.684 1.00 25.00 C ATOM 1039 OG SER A 69 -14.396 -13.824 -8.951 1.00 25.00 O ATOM 0 H SER A 69 -14.288 -11.207 -8.640 1.00 25.00 H new ATOM 0 HA SER A 69 -17.019 -11.760 -9.377 1.00 25.00 H new ATOM 0 HB2 SER A 69 -16.127 -13.913 -10.060 1.00 25.00 H new ATOM 0 HB3 SER A 69 -14.989 -12.675 -10.552 1.00 25.00 H new ATOM 0 HG SER A 69 -13.943 -14.473 -9.528 1.00 25.00 H new ATOM 1045 N LYS A 70 -16.185 -12.367 -6.388 1.00 25.00 N ATOM 1046 CA LYS A 70 -16.622 -12.845 -5.067 1.00 25.00 C ATOM 1047 C LYS A 70 -17.684 -11.896 -4.466 1.00 25.00 C ATOM 1048 O LYS A 70 -17.729 -11.670 -3.249 1.00 25.00 O ATOM 1049 CB LYS A 70 -15.405 -12.950 -4.130 1.00 25.00 C ATOM 1050 CG LYS A 70 -14.460 -14.093 -4.493 1.00 25.00 C ATOM 1051 CD LYS A 70 -13.241 -14.177 -3.569 1.00 25.00 C ATOM 1052 CE LYS A 70 -12.324 -15.355 -3.891 1.00 25.00 C ATOM 1053 NZ LYS A 70 -11.130 -15.392 -3.002 1.00 25.00 N ATOM 0 H LYS A 70 -15.446 -11.665 -6.345 1.00 25.00 H new ATOM 0 HA LYS A 70 -17.075 -13.830 -5.180 1.00 25.00 H new ATOM 0 HB2 LYS A 70 -14.854 -12.010 -4.155 1.00 25.00 H new ATOM 0 HB3 LYS A 70 -15.754 -13.087 -3.107 1.00 25.00 H new ATOM 0 HG2 LYS A 70 -15.006 -15.036 -4.452 1.00 25.00 H new ATOM 0 HG3 LYS A 70 -14.122 -13.965 -5.521 1.00 25.00 H new ATOM 0 HD2 LYS A 70 -12.672 -13.250 -3.644 1.00 25.00 H new ATOM 0 HD3 LYS A 70 -13.580 -14.260 -2.537 1.00 25.00 H new ATOM 0 HE2 LYS A 70 -12.881 -16.286 -3.789 1.00 25.00 H new ATOM 0 HE3 LYS A 70 -12.001 -15.289 -4.930 1.00 25.00 H new ATOM 0 HZ1 LYS A 70 -10.534 -16.206 -3.254 1.00 25.00 H new ATOM 0 HZ2 LYS A 70 -10.584 -14.515 -3.118 1.00 25.00 H new ATOM 0 HZ3 LYS A 70 -11.437 -15.481 -2.012 1.00 25.00 H new ATOM 1067 N LYS A 71 -18.535 -11.362 -5.347 1.00 25.00 N ATOM 1068 CA LYS A 71 -19.579 -10.368 -4.997 1.00 25.00 C ATOM 1069 C LYS A 71 -20.359 -10.744 -3.731 1.00 25.00 C ATOM 1070 O LYS A 71 -20.961 -11.820 -3.646 1.00 25.00 O ATOM 1071 CB LYS A 71 -20.580 -10.210 -6.159 1.00 25.00 C ATOM 1072 CG LYS A 71 -20.015 -9.608 -7.438 1.00 25.00 C ATOM 1073 CD LYS A 71 -21.077 -9.461 -8.516 1.00 25.00 C ATOM 1074 CE LYS A 71 -20.481 -8.905 -9.790 1.00 25.00 C ATOM 1075 NZ LYS A 71 -21.513 -8.672 -10.837 1.00 25.00 N ATOM 0 H LYS A 71 -18.526 -11.604 -6.338 1.00 25.00 H new ATOM 0 HA LYS A 71 -19.056 -9.431 -4.808 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -20.995 -11.190 -6.393 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -21.407 -9.586 -5.820 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -19.583 -8.631 -7.219 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -19.207 -10.238 -7.809 1.00 25.00 H new ATOM 0 HD2 LYS A 71 -21.534 -10.430 -8.716 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -21.870 -8.802 -8.163 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -19.969 -7.968 -9.571 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -19.730 -9.597 -10.170 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 -21.060 -8.291 -11.692 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 -21.984 -9.570 -11.066 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -22.217 -7.992 -10.486 1.00 25.00 H new ATOM 1089 N ARG A 72 -20.320 -9.831 -2.755 1.00 25.00 N ATOM 1090 CA ARG A 72 -20.953 -10.035 -1.457 1.00 25.00 C ATOM 1091 C ARG A 72 -22.265 -9.239 -1.384 1.00 25.00 C ATOM 1092 O ARG A 72 -22.424 -8.239 -2.084 1.00 25.00 O ATOM 1093 CB ARG A 72 -19.975 -9.592 -0.356 1.00 25.00 C ATOM 1094 CG ARG A 72 -18.751 -10.487 -0.190 1.00 25.00 C ATOM 1095 CD ARG A 72 -17.916 -10.062 1.008 1.00 25.00 C ATOM 1096 NE ARG A 72 -18.671 -10.150 2.264 1.00 25.00 N ATOM 1097 CZ ARG A 72 -19.126 -9.096 2.958 1.00 25.00 C ATOM 1098 NH1 ARG A 72 -18.918 -7.849 2.537 1.00 25.00 N ATOM 1099 NH2 ARG A 72 -19.798 -9.295 4.084 1.00 25.00 N ATOM 0 H ARG A 72 -19.848 -8.932 -2.847 1.00 25.00 H new ATOM 0 HA ARG A 72 -21.194 -11.089 -1.316 1.00 25.00 H new ATOM 0 HB2 ARG A 72 -19.639 -8.578 -0.574 1.00 25.00 H new ATOM 0 HB3 ARG A 72 -20.511 -9.553 0.592 1.00 25.00 H new ATOM 0 HG2 ARG A 72 -19.069 -11.522 -0.066 1.00 25.00 H new ATOM 0 HG3 ARG A 72 -18.142 -10.446 -1.093 1.00 25.00 H new ATOM 0 HD2 ARG A 72 -17.029 -10.692 1.073 1.00 25.00 H new ATOM 0 HD3 ARG A 72 -17.570 -9.038 0.864 1.00 25.00 H new ATOM 0 HE ARG A 72 -18.864 -11.080 2.636 1.00 25.00 H new ATOM 0 HH11 ARG A 72 -18.404 -7.682 1.672 1.00 25.00 H new ATOM 0 HH12 ARG A 72 -19.273 -7.062 3.080 1.00 25.00 H new ATOM 0 HH21 ARG A 72 -19.966 -10.244 4.417 1.00 25.00 H new ATOM 0 HH22 ARG A 72 -20.147 -8.499 4.617 1.00 25.00 H new ATOM 1113 N LYS A 73 -23.198 -9.704 -0.546 1.00 25.00 N ATOM 1114 CA LYS A 73 -24.472 -9.009 -0.332 1.00 25.00 C ATOM 1115 C LYS A 73 -24.694 -8.768 1.157 1.00 25.00 C ATOM 1116 O LYS A 73 -24.289 -9.581 1.996 1.00 25.00 O ATOM 1117 CB LYS A 73 -25.648 -9.808 -0.915 1.00 25.00 C ATOM 1118 CG LYS A 73 -25.606 -9.935 -2.428 1.00 25.00 C ATOM 1119 CD LYS A 73 -26.806 -10.690 -2.967 1.00 25.00 C ATOM 1120 CE LYS A 73 -26.738 -10.835 -4.480 1.00 25.00 C ATOM 1121 NZ LYS A 73 -27.880 -11.624 -5.026 1.00 25.00 N ATOM 0 H LYS A 73 -23.094 -10.561 -0.003 1.00 25.00 H new ATOM 0 HA LYS A 73 -24.423 -8.051 -0.849 1.00 25.00 H new ATOM 0 HB2 LYS A 73 -25.652 -10.805 -0.475 1.00 25.00 H new ATOM 0 HB3 LYS A 73 -26.582 -9.327 -0.625 1.00 25.00 H new ATOM 0 HG2 LYS A 73 -25.572 -8.941 -2.875 1.00 25.00 H new ATOM 0 HG3 LYS A 73 -24.691 -10.449 -2.724 1.00 25.00 H new ATOM 0 HD2 LYS A 73 -26.853 -11.677 -2.507 1.00 25.00 H new ATOM 0 HD3 LYS A 73 -27.721 -10.166 -2.691 1.00 25.00 H new ATOM 0 HE2 LYS A 73 -26.731 -9.846 -4.937 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -25.801 -11.319 -4.754 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -27.790 -11.695 -6.060 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -27.873 -12.578 -4.611 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -28.775 -11.150 -4.789 1.00 25.00 H new ATOM 1135 N ASP A 74 -25.346 -7.646 1.473 1.00 25.00 N ATOM 1136 CA ASP A 74 -25.589 -7.235 2.861 1.00 25.00 C ATOM 1137 C ASP A 74 -26.904 -7.831 3.414 1.00 25.00 C ATOM 1138 O ASP A 74 -27.491 -8.715 2.783 1.00 25.00 O ATOM 1139 CB ASP A 74 -25.566 -5.691 2.966 1.00 25.00 C ATOM 1140 CG ASP A 74 -26.710 -5.006 2.228 1.00 25.00 C ATOM 1141 OD1 ASP A 74 -27.600 -5.720 1.719 1.00 25.00 O ATOM 1142 OD2 ASP A 74 -26.713 -3.760 2.165 1.00 25.00 O ATOM 0 H ASP A 74 -25.719 -6.999 0.779 1.00 25.00 H new ATOM 0 HA ASP A 74 -24.787 -7.632 3.483 1.00 25.00 H new ATOM 0 HB2 ASP A 74 -25.603 -5.407 4.018 1.00 25.00 H new ATOM 0 HB3 ASP A 74 -24.619 -5.324 2.570 1.00 25.00 H new ATOM 1147 N ASN A 75 -27.360 -7.345 4.585 1.00 25.00 N ATOM 1148 CA ASN A 75 -28.557 -7.879 5.272 1.00 25.00 C ATOM 1149 C ASN A 75 -29.829 -7.835 4.405 1.00 25.00 C ATOM 1150 O ASN A 75 -30.694 -8.709 4.525 1.00 25.00 O ATOM 1151 CB ASN A 75 -28.810 -7.101 6.570 1.00 25.00 C ATOM 1152 CG ASN A 75 -27.839 -7.470 7.678 1.00 25.00 C ATOM 1153 OD1 ASN A 75 -27.217 -8.532 7.645 1.00 25.00 O ATOM 1154 ND2 ASN A 75 -27.703 -6.590 8.664 1.00 25.00 N ATOM 0 H ASN A 75 -26.913 -6.574 5.081 1.00 25.00 H new ATOM 0 HA ASN A 75 -28.344 -8.927 5.484 1.00 25.00 H new ATOM 0 HB2 ASN A 75 -28.734 -6.033 6.368 1.00 25.00 H new ATOM 0 HB3 ASN A 75 -29.829 -7.290 6.908 1.00 25.00 H new ATOM 0 HD21 ASN A 75 -27.063 -6.782 9.434 1.00 25.00 H new ATOM 0 HD22 ASN A 75 -28.239 -5.722 8.651 1.00 25.00 H new ATOM 1161 N GLU A 76 -29.923 -6.832 3.525 1.00 25.00 N ATOM 1162 CA GLU A 76 -31.127 -6.620 2.710 1.00 25.00 C ATOM 1163 C GLU A 76 -31.049 -7.350 1.362 1.00 25.00 C ATOM 1164 O GLU A 76 -32.082 -7.627 0.744 1.00 25.00 O ATOM 1165 CB GLU A 76 -31.367 -5.120 2.485 1.00 25.00 C ATOM 1166 CG GLU A 76 -31.678 -4.346 3.763 1.00 25.00 C ATOM 1167 CD GLU A 76 -31.903 -2.867 3.512 1.00 25.00 C ATOM 1168 OE1 GLU A 76 -31.841 -2.448 2.336 1.00 25.00 O ATOM 1169 OE2 GLU A 76 -32.140 -2.128 4.490 1.00 25.00 O ATOM 0 H GLU A 76 -29.180 -6.153 3.358 1.00 25.00 H new ATOM 0 HA GLU A 76 -31.967 -7.040 3.263 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -30.484 -4.687 2.015 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -32.194 -4.995 1.786 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -32.566 -4.770 4.233 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -30.855 -4.470 4.467 1.00 25.00 H new ATOM 1176 N GLY A 77 -29.823 -7.658 0.918 1.00 25.00 N ATOM 1177 CA GLY A 77 -29.624 -8.377 -0.336 1.00 25.00 C ATOM 1178 C GLY A 77 -29.139 -7.487 -1.469 1.00 25.00 C ATOM 1179 O GLY A 77 -29.360 -7.800 -2.643 1.00 25.00 O ATOM 0 H GLY A 77 -28.962 -7.420 1.410 1.00 25.00 H new ATOM 0 HA2 GLY A 77 -28.901 -9.177 -0.177 1.00 25.00 H new ATOM 0 HA3 GLY A 77 -30.562 -8.848 -0.629 1.00 25.00 H new ATOM 1183 N ASN A 78 -28.481 -6.377 -1.113 1.00 25.00 N ATOM 1184 CA ASN A 78 -27.888 -5.465 -2.096 1.00 25.00 C ATOM 1185 C ASN A 78 -26.426 -5.832 -2.334 1.00 25.00 C ATOM 1186 O ASN A 78 -25.733 -6.270 -1.409 1.00 25.00 O ATOM 1187 CB ASN A 78 -27.992 -4.008 -1.618 1.00 25.00 C ATOM 1188 CG ASN A 78 -29.428 -3.534 -1.476 1.00 25.00 C ATOM 1189 OD1 ASN A 78 -30.174 -3.479 -2.454 1.00 25.00 O ATOM 1190 ND2 ASN A 78 -29.819 -3.183 -0.257 1.00 25.00 N ATOM 0 H ASN A 78 -28.346 -6.088 -0.144 1.00 25.00 H new ATOM 0 HA ASN A 78 -28.439 -5.562 -3.032 1.00 25.00 H new ATOM 0 HB2 ASN A 78 -27.485 -3.909 -0.658 1.00 25.00 H new ATOM 0 HB3 ASN A 78 -27.469 -3.361 -2.323 1.00 25.00 H new ATOM 0 HD21 ASN A 78 -30.771 -2.852 -0.102 1.00 25.00 H new ATOM 0 HD22 ASN A 78 -29.167 -3.245 0.525 1.00 25.00 H new ATOM 1197 N GLU A 79 -25.960 -5.650 -3.578 1.00 25.00 N ATOM 1198 CA GLU A 79 -24.603 -6.046 -3.964 1.00 25.00 C ATOM 1199 C GLU A 79 -23.555 -5.107 -3.360 1.00 25.00 C ATOM 1200 O GLU A 79 -23.475 -3.925 -3.718 1.00 25.00 O ATOM 1201 CB GLU A 79 -24.458 -6.080 -5.487 1.00 25.00 C ATOM 1202 CG GLU A 79 -23.133 -6.655 -5.980 1.00 25.00 C ATOM 1203 CD GLU A 79 -23.004 -6.674 -7.495 1.00 25.00 C ATOM 1204 OE1 GLU A 79 -23.829 -7.343 -8.152 1.00 25.00 O ATOM 1205 OE2 GLU A 79 -22.077 -6.023 -8.022 1.00 25.00 O ATOM 0 H GLU A 79 -26.505 -5.231 -4.332 1.00 25.00 H new ATOM 0 HA GLU A 79 -24.432 -7.048 -3.571 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -25.274 -6.670 -5.905 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -24.567 -5.067 -5.873 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -22.314 -6.070 -5.561 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -23.024 -7.671 -5.602 1.00 25.00 H new ATOM 1212 N VAL A 80 -22.771 -5.656 -2.435 1.00 25.00 N ATOM 1213 CA VAL A 80 -21.666 -4.934 -1.812 1.00 25.00 C ATOM 1214 C VAL A 80 -20.348 -5.592 -2.206 1.00 25.00 C ATOM 1215 O VAL A 80 -19.965 -6.633 -1.659 1.00 25.00 O ATOM 1216 CB VAL A 80 -21.798 -4.838 -0.257 1.00 25.00 C ATOM 1217 CG1 VAL A 80 -20.616 -4.083 0.331 1.00 25.00 C ATOM 1218 CG2 VAL A 80 -23.106 -4.173 0.174 1.00 25.00 C ATOM 0 H VAL A 80 -22.884 -6.612 -2.097 1.00 25.00 H new ATOM 0 HA VAL A 80 -21.693 -3.908 -2.179 1.00 25.00 H new ATOM 0 HB VAL A 80 -21.805 -5.859 0.126 1.00 25.00 H new ATOM 0 HG11 VAL A 80 -20.724 -4.025 1.414 1.00 25.00 H new ATOM 0 HG12 VAL A 80 -19.692 -4.606 0.086 1.00 25.00 H new ATOM 0 HG13 VAL A 80 -20.584 -3.076 -0.085 1.00 25.00 H new ATOM 0 HG21 VAL A 80 -23.151 -4.130 1.262 1.00 25.00 H new ATOM 0 HG22 VAL A 80 -23.151 -3.162 -0.232 1.00 25.00 H new ATOM 0 HG23 VAL A 80 -23.950 -4.752 -0.201 1.00 25.00 H new ATOM 1228 N VAL A 81 -19.669 -4.976 -3.169 1.00 25.00 N ATOM 1229 CA VAL A 81 -18.476 -5.567 -3.765 1.00 25.00 C ATOM 1230 C VAL A 81 -17.188 -5.115 -3.028 1.00 25.00 C ATOM 1231 O VAL A 81 -16.978 -3.913 -2.842 1.00 25.00 O ATOM 1232 CB VAL A 81 -18.413 -5.291 -5.309 1.00 25.00 C ATOM 1233 CG1 VAL A 81 -17.136 -5.836 -5.949 1.00 25.00 C ATOM 1234 CG2 VAL A 81 -19.648 -5.816 -6.047 1.00 25.00 C ATOM 0 H VAL A 81 -19.925 -4.067 -3.553 1.00 25.00 H new ATOM 0 HA VAL A 81 -18.541 -6.648 -3.641 1.00 25.00 H new ATOM 0 HB VAL A 81 -18.399 -4.206 -5.412 1.00 25.00 H new ATOM 0 HG11 VAL A 81 -17.143 -5.619 -7.017 1.00 25.00 H new ATOM 0 HG12 VAL A 81 -16.268 -5.364 -5.488 1.00 25.00 H new ATOM 0 HG13 VAL A 81 -17.085 -6.914 -5.799 1.00 25.00 H new ATOM 0 HG21 VAL A 81 -19.555 -5.600 -7.111 1.00 25.00 H new ATOM 0 HG22 VAL A 81 -19.729 -6.893 -5.901 1.00 25.00 H new ATOM 0 HG23 VAL A 81 -20.541 -5.329 -5.655 1.00 25.00 H new ATOM 1244 N PRO A 82 -16.310 -6.085 -2.594 1.00 25.00 N ATOM 1245 CA PRO A 82 -15.051 -5.774 -1.873 1.00 25.00 C ATOM 1246 C PRO A 82 -14.071 -4.935 -2.692 1.00 25.00 C ATOM 1247 O PRO A 82 -13.818 -5.211 -3.869 1.00 25.00 O ATOM 1248 CB PRO A 82 -14.455 -7.159 -1.574 1.00 25.00 C ATOM 1249 CG PRO A 82 -15.627 -8.068 -1.556 1.00 25.00 C ATOM 1250 CD PRO A 82 -16.470 -7.556 -2.738 1.00 25.00 C ATOM 0 HA PRO A 82 -15.245 -5.172 -0.985 1.00 25.00 H new ATOM 0 HB2 PRO A 82 -13.734 -7.455 -2.336 1.00 25.00 H new ATOM 0 HB3 PRO A 82 -13.930 -7.168 -0.619 1.00 25.00 H new ATOM 0 HG2 PRO A 82 -15.334 -9.109 -1.689 1.00 25.00 H new ATOM 0 HG3 PRO A 82 -16.172 -8.008 -0.614 1.00 25.00 H new ATOM 0 HD2 PRO A 82 -16.097 -7.918 -3.696 1.00 25.00 H new ATOM 0 HD3 PRO A 82 -17.513 -7.865 -2.664 1.00 25.00 H new ATOM 1258 N LYS A 83 -13.537 -3.908 -2.035 1.00 25.00 N ATOM 1259 CA LYS A 83 -12.615 -2.948 -2.652 1.00 25.00 C ATOM 1260 C LYS A 83 -11.134 -3.340 -2.402 1.00 25.00 C ATOM 1261 O LYS A 83 -10.864 -4.165 -1.522 1.00 25.00 O ATOM 1262 CB LYS A 83 -12.926 -1.524 -2.126 1.00 25.00 C ATOM 1263 CG LYS A 83 -14.272 -0.972 -2.546 1.00 25.00 C ATOM 1264 CD LYS A 83 -14.551 0.432 -2.013 1.00 25.00 C ATOM 1265 CE LYS A 83 -15.904 0.984 -2.464 1.00 25.00 C ATOM 1266 NZ LYS A 83 -16.198 2.305 -1.844 1.00 25.00 N ATOM 0 H LYS A 83 -13.731 -3.714 -1.053 1.00 25.00 H new ATOM 0 HA LYS A 83 -12.761 -2.962 -3.732 1.00 25.00 H new ATOM 0 HB2 LYS A 83 -12.877 -1.535 -1.037 1.00 25.00 H new ATOM 0 HB3 LYS A 83 -12.147 -0.846 -2.473 1.00 25.00 H new ATOM 0 HG2 LYS A 83 -14.325 -0.955 -3.635 1.00 25.00 H new ATOM 0 HG3 LYS A 83 -15.056 -1.646 -2.199 1.00 25.00 H new ATOM 0 HD2 LYS A 83 -14.517 0.415 -0.924 1.00 25.00 H new ATOM 0 HD3 LYS A 83 -13.761 1.105 -2.346 1.00 25.00 H new ATOM 0 HE2 LYS A 83 -15.913 1.082 -3.550 1.00 25.00 H new ATOM 0 HE3 LYS A 83 -16.691 0.277 -2.202 1.00 25.00 H new ATOM 0 HZ1 LYS A 83 -17.123 2.645 -2.175 1.00 25.00 H new ATOM 0 HZ2 LYS A 83 -16.215 2.207 -0.809 1.00 25.00 H new ATOM 0 HZ3 LYS A 83 -15.461 2.987 -2.115 1.00 25.00 H new ATOM 1335 N HIS A 87 -1.555 -0.955 1.330 1.00 25.00 N ATOM 1336 CA HIS A 87 -0.576 -1.090 2.420 1.00 25.00 C ATOM 1337 C HIS A 87 0.368 0.121 2.470 1.00 25.00 C ATOM 1338 O HIS A 87 1.186 0.318 1.570 1.00 25.00 O ATOM 1339 CB HIS A 87 0.238 -2.389 2.240 1.00 25.00 C ATOM 1340 CG HIS A 87 -0.574 -3.587 1.846 1.00 25.00 C ATOM 1341 ND1 HIS A 87 -0.912 -4.063 0.622 1.00 25.00 N flip ATOM 1342 CD2 HIS A 87 -1.108 -4.470 2.760 1.00 25.00 C flip ATOM 1343 CE1 HIS A 87 -1.635 -5.215 0.821 1.00 25.00 C flip ATOM 1344 NE2 HIS A 87 -1.737 -5.439 2.117 1.00 25.00 N flip ATOM 0 HA HIS A 87 -1.121 -1.134 3.363 1.00 25.00 H new ATOM 0 HB2 HIS A 87 1.003 -2.220 1.482 1.00 25.00 H new ATOM 0 HB3 HIS A 87 0.757 -2.609 3.173 1.00 25.00 H new ATOM 0 HD1 HIS A 87 -0.674 -3.645 -0.277 1.00 25.00 H new ATOM 0 HD2 HIS A 87 -1.025 -4.384 3.833 1.00 25.00 H new ATOM 0 HE1 HIS A 87 -2.052 -5.836 0.042 1.00 25.00 H new ATOM 1353 N MET A 88 0.259 0.917 3.543 1.00 25.00 N ATOM 1354 CA MET A 88 1.039 2.157 3.685 1.00 25.00 C ATOM 1355 C MET A 88 2.255 1.948 4.594 1.00 25.00 C ATOM 1356 O MET A 88 2.180 1.239 5.603 1.00 25.00 O ATOM 1357 CB MET A 88 0.141 3.275 4.242 1.00 25.00 C ATOM 1358 CG MET A 88 -1.088 3.603 3.396 1.00 25.00 C ATOM 1359 SD MET A 88 -2.132 4.839 4.182 1.00 25.00 S ATOM 1360 CE MET A 88 -3.701 4.507 3.386 1.00 25.00 C ATOM 0 H MET A 88 -0.363 0.724 4.328 1.00 25.00 H new ATOM 0 HA MET A 88 1.406 2.446 2.700 1.00 25.00 H new ATOM 0 HB2 MET A 88 -0.190 2.990 5.240 1.00 25.00 H new ATOM 0 HB3 MET A 88 0.739 4.180 4.351 1.00 25.00 H new ATOM 0 HG2 MET A 88 -0.770 3.965 2.418 1.00 25.00 H new ATOM 0 HG3 MET A 88 -1.666 2.694 3.227 1.00 25.00 H new ATOM 0 HE1 MET A 88 -4.162 5.447 3.084 1.00 25.00 H new ATOM 0 HE2 MET A 88 -3.538 3.884 2.507 1.00 25.00 H new ATOM 0 HE3 MET A 88 -4.359 3.987 4.082 1.00 25.00 H new ATOM 1370 N PHE A 89 3.374 2.578 4.211 1.00 25.00 N ATOM 1371 CA PHE A 89 4.616 2.535 4.987 1.00 25.00 C ATOM 1372 C PHE A 89 5.188 3.948 5.124 1.00 25.00 C ATOM 1373 O PHE A 89 5.386 4.634 4.121 1.00 25.00 O ATOM 1374 CB PHE A 89 5.681 1.648 4.312 1.00 25.00 C ATOM 1375 CG PHE A 89 5.356 0.180 4.218 1.00 25.00 C ATOM 1376 CD1 PHE A 89 4.496 -0.296 3.244 1.00 25.00 C ATOM 1377 CD2 PHE A 89 5.905 -0.718 5.118 1.00 25.00 C ATOM 1378 CE1 PHE A 89 4.196 -1.641 3.166 1.00 25.00 C ATOM 1379 CE2 PHE A 89 5.609 -2.062 5.051 1.00 25.00 C ATOM 1380 CZ PHE A 89 4.758 -2.524 4.016 1.00 25.00 C ATOM 0 H PHE A 89 3.441 3.130 3.356 1.00 25.00 H new ATOM 0 HA PHE A 89 4.375 2.115 5.964 1.00 25.00 H new ATOM 0 HB2 PHE A 89 5.855 2.026 3.305 1.00 25.00 H new ATOM 0 HB3 PHE A 89 6.617 1.758 4.860 1.00 25.00 H new ATOM 0 HD1 PHE A 89 4.055 0.392 2.538 1.00 25.00 H new ATOM 0 HD2 PHE A 89 6.576 -0.359 5.885 1.00 25.00 H new ATOM 0 HE1 PHE A 89 3.503 -1.990 2.415 1.00 25.00 H new ATOM 0 HE2 PHE A 89 6.018 -2.751 5.775 1.00 25.00 H new ATOM 0 HZ PHE A 89 4.560 -3.580 3.908 1.00 25.00 H new ATOM 1390 N SER A 90 5.473 4.374 6.357 1.00 25.00 N ATOM 1391 CA SER A 90 6.034 5.711 6.604 1.00 25.00 C ATOM 1392 C SER A 90 7.553 5.718 6.418 1.00 25.00 C ATOM 1393 O SER A 90 8.233 4.737 6.729 1.00 25.00 O ATOM 1394 CB SER A 90 5.664 6.195 8.002 1.00 25.00 C ATOM 1395 OG SER A 90 4.266 6.393 8.126 1.00 25.00 O ATOM 0 H SER A 90 5.326 3.817 7.199 1.00 25.00 H new ATOM 0 HA SER A 90 5.604 6.396 5.873 1.00 25.00 H new ATOM 0 HB2 SER A 90 5.997 5.466 8.741 1.00 25.00 H new ATOM 0 HB3 SER A 90 6.186 7.128 8.216 1.00 25.00 H new ATOM 0 HG SER A 90 4.058 6.701 9.033 1.00 25.00 H new ATOM 1401 N PHE A 91 8.065 6.837 5.906 1.00 25.00 N ATOM 1402 CA PHE A 91 9.478 6.965 5.527 1.00 25.00 C ATOM 1403 C PHE A 91 10.124 8.210 6.145 1.00 25.00 C ATOM 1404 O PHE A 91 9.458 8.998 6.822 1.00 25.00 O ATOM 1405 CB PHE A 91 9.594 7.024 3.996 1.00 25.00 C ATOM 1406 CG PHE A 91 9.596 5.678 3.316 1.00 25.00 C ATOM 1407 CD1 PHE A 91 8.432 4.921 3.252 1.00 25.00 C ATOM 1408 CD2 PHE A 91 10.752 5.164 2.748 1.00 25.00 C ATOM 1409 CE1 PHE A 91 8.426 3.680 2.642 1.00 25.00 C ATOM 1410 CE2 PHE A 91 10.746 3.925 2.135 1.00 25.00 C ATOM 1411 CZ PHE A 91 9.610 3.205 2.041 1.00 25.00 C ATOM 0 H PHE A 91 7.516 7.681 5.741 1.00 25.00 H new ATOM 0 HA PHE A 91 10.009 6.093 5.910 1.00 25.00 H new ATOM 0 HB2 PHE A 91 8.765 7.614 3.604 1.00 25.00 H new ATOM 0 HB3 PHE A 91 10.512 7.551 3.734 1.00 25.00 H new ATOM 0 HD1 PHE A 91 7.521 5.307 3.684 1.00 25.00 H new ATOM 0 HD2 PHE A 91 11.666 5.738 2.785 1.00 25.00 H new ATOM 0 HE1 PHE A 91 7.526 3.082 2.626 1.00 25.00 H new ATOM 0 HE2 PHE A 91 11.664 3.528 1.726 1.00 25.00 H new ATOM 0 HZ PHE A 91 9.607 2.266 1.507 1.00 25.00 H new ATOM 1421 N ASN A 92 11.439 8.359 5.920 1.00 25.00 N ATOM 1422 CA ASN A 92 12.197 9.526 6.384 1.00 25.00 C ATOM 1423 C ASN A 92 12.906 10.243 5.218 1.00 25.00 C ATOM 1424 O ASN A 92 13.370 11.377 5.374 1.00 25.00 O ATOM 1425 CB ASN A 92 13.213 9.124 7.480 1.00 25.00 C ATOM 1426 CG ASN A 92 12.586 8.493 8.724 1.00 25.00 C ATOM 1427 OD1 ASN A 92 11.887 9.153 9.498 1.00 25.00 O ATOM 1428 ND2 ASN A 92 12.839 7.204 8.920 1.00 25.00 N ATOM 0 H ASN A 92 12.002 7.676 5.413 1.00 25.00 H new ATOM 0 HA ASN A 92 11.484 10.228 6.817 1.00 25.00 H new ATOM 0 HB2 ASN A 92 13.930 8.422 7.054 1.00 25.00 H new ATOM 0 HB3 ASN A 92 13.774 10.009 7.780 1.00 25.00 H new ATOM 0 HD21 ASN A 92 12.451 6.726 9.733 1.00 25.00 H new ATOM 0 HD22 ASN A 92 13.422 6.692 8.257 1.00 25.00 H new ATOM 1435 N ASN A 93 12.985 9.569 4.055 1.00 25.00 N ATOM 1436 CA ASN A 93 13.640 10.120 2.857 1.00 25.00 C ATOM 1437 C ASN A 93 12.896 9.703 1.586 1.00 25.00 C ATOM 1438 O ASN A 93 12.380 8.584 1.495 1.00 25.00 O ATOM 1439 CB ASN A 93 15.102 9.650 2.769 1.00 25.00 C ATOM 1440 CG ASN A 93 15.937 10.478 1.809 1.00 25.00 C ATOM 1441 OD1 ASN A 93 15.408 11.287 1.045 1.00 25.00 O ATOM 1442 ND2 ASN A 93 17.250 10.277 1.839 1.00 25.00 N ATOM 0 H ASN A 93 12.599 8.634 3.921 1.00 25.00 H new ATOM 0 HA ASN A 93 13.618 11.207 2.941 1.00 25.00 H new ATOM 0 HB2 ASN A 93 15.551 9.692 3.761 1.00 25.00 H new ATOM 0 HB3 ASN A 93 15.124 8.607 2.453 1.00 25.00 H new ATOM 0 HD21 ASN A 93 17.861 10.803 1.214 1.00 25.00 H new ATOM 0 HD22 ASN A 93 17.647 9.597 2.487 1.00 25.00 H new ATOM 1449 N ARG A 94 12.847 10.622 0.607 1.00 25.00 N ATOM 1450 CA ARG A 94 12.181 10.377 -0.685 1.00 25.00 C ATOM 1451 C ARG A 94 13.042 9.548 -1.643 1.00 25.00 C ATOM 1452 O ARG A 94 12.524 8.977 -2.608 1.00 25.00 O ATOM 1453 CB ARG A 94 11.806 11.699 -1.369 1.00 25.00 C ATOM 1454 CG ARG A 94 11.636 12.876 -0.412 1.00 25.00 C ATOM 1455 CD ARG A 94 10.334 12.807 0.376 1.00 25.00 C ATOM 1456 NE ARG A 94 10.205 13.902 1.347 1.00 25.00 N ATOM 1457 CZ ARG A 94 9.134 14.106 2.131 1.00 25.00 C ATOM 1458 NH1 ARG A 94 8.075 13.298 2.078 1.00 25.00 N ATOM 1459 NH2 ARG A 94 9.127 15.129 2.972 1.00 25.00 N ATOM 0 H ARG A 94 13.264 11.549 0.687 1.00 25.00 H new ATOM 0 HA ARG A 94 11.280 9.808 -0.457 1.00 25.00 H new ATOM 0 HB2 ARG A 94 12.576 11.948 -2.099 1.00 25.00 H new ATOM 0 HB3 ARG A 94 10.877 11.558 -1.921 1.00 25.00 H new ATOM 0 HG2 ARG A 94 12.476 12.899 0.282 1.00 25.00 H new ATOM 0 HG3 ARG A 94 11.665 13.807 -0.978 1.00 25.00 H new ATOM 0 HD2 ARG A 94 9.492 12.838 -0.316 1.00 25.00 H new ATOM 0 HD3 ARG A 94 10.280 11.853 0.900 1.00 25.00 H new ATOM 0 HE ARG A 94 10.985 14.554 1.432 1.00 25.00 H new ATOM 0 HH11 ARG A 94 8.068 12.508 1.433 1.00 25.00 H new ATOM 0 HH12 ARG A 94 7.271 13.470 2.682 1.00 25.00 H new ATOM 0 HH21 ARG A 94 9.931 15.755 3.021 1.00 25.00 H new ATOM 0 HH22 ARG A 94 8.318 15.291 3.571 1.00 25.00 H new ATOM 1473 N THR A 95 14.353 9.489 -1.372 1.00 25.00 N ATOM 1474 CA THR A 95 15.296 8.755 -2.225 1.00 25.00 C ATOM 1475 C THR A 95 15.197 7.238 -1.985 1.00 25.00 C ATOM 1476 O THR A 95 15.586 6.447 -2.849 1.00 25.00 O ATOM 1477 CB THR A 95 16.755 9.235 -1.993 1.00 25.00 C ATOM 1478 OG1 THR A 95 17.149 8.963 -0.642 1.00 25.00 O ATOM 1479 CG2 THR A 95 16.905 10.735 -2.249 1.00 25.00 C ATOM 0 H THR A 95 14.785 9.942 -0.567 1.00 25.00 H new ATOM 0 HA THR A 95 15.024 8.961 -3.260 1.00 25.00 H new ATOM 0 HB THR A 95 17.390 8.694 -2.695 1.00 25.00 H new ATOM 0 HG1 THR A 95 18.070 9.267 -0.502 1.00 25.00 H new ATOM 0 HG21 THR A 95 17.939 11.032 -2.076 1.00 25.00 H new ATOM 0 HG22 THR A 95 16.631 10.957 -3.280 1.00 25.00 H new ATOM 0 HG23 THR A 95 16.251 11.287 -1.573 1.00 25.00 H new ATOM 1487 N VAL A 96 14.669 6.843 -0.814 1.00 25.00 N ATOM 1488 CA VAL A 96 14.435 5.424 -0.509 1.00 25.00 C ATOM 1489 C VAL A 96 13.123 4.973 -1.167 1.00 25.00 C ATOM 1490 O VAL A 96 13.155 4.143 -2.067 1.00 25.00 O ATOM 1491 CB VAL A 96 14.396 5.128 1.030 1.00 25.00 C ATOM 1492 CG1 VAL A 96 14.183 3.638 1.306 1.00 25.00 C ATOM 1493 CG2 VAL A 96 15.669 5.598 1.728 1.00 25.00 C ATOM 0 H VAL A 96 14.398 7.483 -0.068 1.00 25.00 H new ATOM 0 HA VAL A 96 15.276 4.860 -0.913 1.00 25.00 H new ATOM 0 HB VAL A 96 13.552 5.687 1.433 1.00 25.00 H new ATOM 0 HG11 VAL A 96 14.161 3.467 2.382 1.00 25.00 H new ATOM 0 HG12 VAL A 96 13.237 3.318 0.868 1.00 25.00 H new ATOM 0 HG13 VAL A 96 14.999 3.066 0.864 1.00 25.00 H new ATOM 0 HG21 VAL A 96 15.603 5.375 2.793 1.00 25.00 H new ATOM 0 HG22 VAL A 96 16.529 5.082 1.302 1.00 25.00 H new ATOM 0 HG23 VAL A 96 15.785 6.673 1.589 1.00 25.00 H new ATOM 1503 N MET A 97 11.984 5.582 -0.756 1.00 25.00 N ATOM 1504 CA MET A 97 10.636 5.231 -1.283 1.00 25.00 C ATOM 1505 C MET A 97 10.607 5.132 -2.815 1.00 25.00 C ATOM 1506 O MET A 97 9.963 4.242 -3.366 1.00 25.00 O ATOM 1507 CB MET A 97 9.568 6.243 -0.811 1.00 25.00 C ATOM 1508 CG MET A 97 9.698 7.638 -1.399 1.00 25.00 C ATOM 1509 SD MET A 97 8.469 8.806 -0.770 1.00 25.00 S ATOM 1510 CE MET A 97 9.015 9.042 0.920 1.00 25.00 C ATOM 0 H MET A 97 11.970 6.324 -0.056 1.00 25.00 H new ATOM 0 HA MET A 97 10.403 4.246 -0.879 1.00 25.00 H new ATOM 0 HB2 MET A 97 8.582 5.851 -1.061 1.00 25.00 H new ATOM 0 HB3 MET A 97 9.615 6.318 0.275 1.00 25.00 H new ATOM 0 HG2 MET A 97 10.695 8.022 -1.185 1.00 25.00 H new ATOM 0 HG3 MET A 97 9.607 7.576 -2.483 1.00 25.00 H new ATOM 0 HE1 MET A 97 8.322 8.545 1.599 1.00 25.00 H new ATOM 0 HE2 MET A 97 10.011 8.618 1.043 1.00 25.00 H new ATOM 0 HE3 MET A 97 9.044 10.108 1.148 1.00 25.00 H new ATOM 1520 N ASP A 98 11.316 6.055 -3.481 1.00 25.00 N ATOM 1521 CA ASP A 98 11.404 6.068 -4.944 1.00 25.00 C ATOM 1522 C ASP A 98 12.262 4.912 -5.472 1.00 25.00 C ATOM 1523 O ASP A 98 12.085 4.498 -6.609 1.00 25.00 O ATOM 1524 CB ASP A 98 11.976 7.413 -5.420 1.00 25.00 C ATOM 1525 CG ASP A 98 10.962 8.546 -5.363 1.00 25.00 C ATOM 1526 OD1 ASP A 98 9.770 8.265 -5.120 1.00 25.00 O ATOM 1527 OD2 ASP A 98 11.365 9.712 -5.562 1.00 25.00 O ATOM 0 H ASP A 98 11.838 6.804 -3.025 1.00 25.00 H new ATOM 0 HA ASP A 98 10.397 5.938 -5.341 1.00 25.00 H new ATOM 0 HB2 ASP A 98 12.837 7.673 -4.805 1.00 25.00 H new ATOM 0 HB3 ASP A 98 12.336 7.306 -6.443 1.00 25.00 H new ATOM 1532 N ASN A 99 13.182 4.408 -4.639 1.00 25.00 N ATOM 1533 CA ASN A 99 14.030 3.259 -4.990 1.00 25.00 C ATOM 1534 C ASN A 99 13.356 1.919 -4.649 1.00 25.00 C ATOM 1535 O ASN A 99 13.555 0.933 -5.365 1.00 25.00 O ATOM 1536 CB ASN A 99 15.387 3.369 -4.276 1.00 25.00 C ATOM 1537 CG ASN A 99 16.503 3.875 -5.178 1.00 25.00 C ATOM 1538 OD1 ASN A 99 16.841 3.254 -6.190 1.00 25.00 O ATOM 1539 ND2 ASN A 99 17.093 5.006 -4.809 1.00 25.00 N ATOM 0 H ASN A 99 13.360 4.782 -3.707 1.00 25.00 H new ATOM 0 HA ASN A 99 14.184 3.280 -6.069 1.00 25.00 H new ATOM 0 HB2 ASN A 99 15.287 4.039 -3.422 1.00 25.00 H new ATOM 0 HB3 ASN A 99 15.663 2.391 -3.882 1.00 25.00 H new ATOM 0 HD21 ASN A 99 17.854 5.390 -5.369 1.00 25.00 H new ATOM 0 HD22 ASN A 99 16.785 5.490 -3.966 1.00 25.00 H new ATOM 1546 N ILE A 100 12.562 1.884 -3.555 1.00 25.00 N ATOM 1547 CA ILE A 100 11.742 0.701 -3.217 1.00 25.00 C ATOM 1548 C ILE A 100 10.624 0.553 -4.272 1.00 25.00 C ATOM 1549 O ILE A 100 10.500 -0.492 -4.909 1.00 25.00 O ATOM 1550 CB ILE A 100 11.117 0.785 -1.767 1.00 25.00 C ATOM 1551 CG1 ILE A 100 12.186 1.019 -0.654 1.00 25.00 C ATOM 1552 CG2 ILE A 100 10.281 -0.457 -1.419 1.00 25.00 C ATOM 1553 CD1 ILE A 100 13.204 -0.095 -0.430 1.00 25.00 C ATOM 0 H ILE A 100 12.473 2.657 -2.895 1.00 25.00 H new ATOM 0 HA ILE A 100 12.393 -0.173 -3.223 1.00 25.00 H new ATOM 0 HB ILE A 100 10.461 1.655 -1.794 1.00 25.00 H new ATOM 0 HG12 ILE A 100 12.730 1.933 -0.893 1.00 25.00 H new ATOM 0 HG13 ILE A 100 11.664 1.196 0.286 1.00 25.00 H new ATOM 0 HG21 ILE A 100 9.873 -0.351 -0.414 1.00 25.00 H new ATOM 0 HG22 ILE A 100 9.464 -0.557 -2.133 1.00 25.00 H new ATOM 0 HG23 ILE A 100 10.912 -1.345 -1.463 1.00 25.00 H new ATOM 0 HD11 ILE A 100 13.888 0.192 0.368 1.00 25.00 H new ATOM 0 HD12 ILE A 100 12.685 -1.012 -0.150 1.00 25.00 H new ATOM 0 HD13 ILE A 100 13.768 -0.263 -1.348 1.00 25.00 H new ATOM 1565 N LYS A 101 9.846 1.640 -4.458 1.00 25.00 N ATOM 1566 CA LYS A 101 8.780 1.730 -5.471 1.00 25.00 C ATOM 1567 C LYS A 101 9.285 1.389 -6.879 1.00 25.00 C ATOM 1568 O LYS A 101 8.602 0.695 -7.621 1.00 25.00 O ATOM 1569 CB LYS A 101 8.189 3.141 -5.440 1.00 25.00 C ATOM 1570 CG LYS A 101 7.046 3.366 -6.424 1.00 25.00 C ATOM 1571 CD LYS A 101 6.446 4.764 -6.297 1.00 25.00 C ATOM 1572 CE LYS A 101 5.318 5.029 -7.293 1.00 25.00 C ATOM 1573 NZ LYS A 101 4.771 6.411 -7.186 1.00 25.00 N ATOM 0 H LYS A 101 9.944 2.489 -3.901 1.00 25.00 H new ATOM 0 HA LYS A 101 8.013 0.995 -5.229 1.00 25.00 H new ATOM 0 HB2 LYS A 101 7.831 3.350 -4.432 1.00 25.00 H new ATOM 0 HB3 LYS A 101 8.982 3.859 -5.652 1.00 25.00 H new ATOM 0 HG2 LYS A 101 7.410 3.219 -7.441 1.00 25.00 H new ATOM 0 HG3 LYS A 101 6.269 2.621 -6.253 1.00 25.00 H new ATOM 0 HD2 LYS A 101 6.066 4.899 -5.284 1.00 25.00 H new ATOM 0 HD3 LYS A 101 7.232 5.504 -6.444 1.00 25.00 H new ATOM 0 HE2 LYS A 101 5.687 4.866 -8.306 1.00 25.00 H new ATOM 0 HE3 LYS A 101 4.515 4.311 -7.126 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 4.010 6.538 -7.883 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 4.393 6.562 -6.229 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 5.528 7.099 -7.371 1.00 25.00 H new ATOM 1587 N MET A 102 10.486 1.876 -7.220 1.00 25.00 N ATOM 1588 CA MET A 102 11.142 1.565 -8.506 1.00 25.00 C ATOM 1589 C MET A 102 11.256 0.046 -8.729 1.00 25.00 C ATOM 1590 O MET A 102 10.842 -0.452 -9.775 1.00 25.00 O ATOM 1591 CB MET A 102 12.529 2.226 -8.537 1.00 25.00 C ATOM 1592 CG MET A 102 13.306 2.068 -9.838 1.00 25.00 C ATOM 1593 SD MET A 102 14.980 2.742 -9.761 1.00 25.00 S ATOM 1594 CE MET A 102 14.658 4.493 -9.558 1.00 25.00 C ATOM 0 H MET A 102 11.031 2.494 -6.619 1.00 25.00 H new ATOM 0 HA MET A 102 10.531 1.962 -9.316 1.00 25.00 H new ATOM 0 HB2 MET A 102 12.409 3.290 -8.334 1.00 25.00 H new ATOM 0 HB3 MET A 102 13.127 1.812 -7.725 1.00 25.00 H new ATOM 0 HG2 MET A 102 13.360 1.010 -10.094 1.00 25.00 H new ATOM 0 HG3 MET A 102 12.760 2.563 -10.641 1.00 25.00 H new ATOM 0 HE1 MET A 102 15.585 5.051 -9.691 1.00 25.00 H new ATOM 0 HE2 MET A 102 13.929 4.817 -10.300 1.00 25.00 H new ATOM 0 HE3 MET A 102 14.264 4.677 -8.558 1.00 25.00 H new ATOM 1604 N THR A 103 11.808 -0.676 -7.736 1.00 25.00 N ATOM 1605 CA THR A 103 11.890 -2.143 -7.789 1.00 25.00 C ATOM 1606 C THR A 103 10.478 -2.745 -7.881 1.00 25.00 C ATOM 1607 O THR A 103 10.164 -3.407 -8.865 1.00 25.00 O ATOM 1608 CB THR A 103 12.648 -2.718 -6.561 1.00 25.00 C ATOM 1609 OG1 THR A 103 13.992 -2.216 -6.542 1.00 25.00 O ATOM 1610 CG2 THR A 103 12.695 -4.251 -6.581 1.00 25.00 C ATOM 0 H THR A 103 12.203 -0.266 -6.890 1.00 25.00 H new ATOM 0 HA THR A 103 12.455 -2.417 -8.680 1.00 25.00 H new ATOM 0 HB THR A 103 12.107 -2.403 -5.669 1.00 25.00 H new ATOM 0 HG1 THR A 103 14.466 -2.580 -5.765 1.00 25.00 H new ATOM 0 HG21 THR A 103 13.234 -4.610 -5.704 1.00 25.00 H new ATOM 0 HG22 THR A 103 11.679 -4.646 -6.569 1.00 25.00 H new ATOM 0 HG23 THR A 103 13.205 -4.588 -7.484 1.00 25.00 H new ATOM 1618 N LEU A 104 9.626 -2.441 -6.876 1.00 25.00 N ATOM 1619 CA LEU A 104 8.214 -2.873 -6.829 1.00 25.00 C ATOM 1620 C LEU A 104 7.539 -2.693 -8.195 1.00 25.00 C ATOM 1621 O LEU A 104 7.112 -3.660 -8.812 1.00 25.00 O ATOM 1622 CB LEU A 104 7.452 -2.035 -5.772 1.00 25.00 C ATOM 1623 CG LEU A 104 7.945 -2.127 -4.319 1.00 25.00 C ATOM 1624 CD1 LEU A 104 7.253 -1.082 -3.453 1.00 25.00 C ATOM 1625 CD2 LEU A 104 7.696 -3.499 -3.718 1.00 25.00 C ATOM 0 H LEU A 104 9.904 -1.884 -6.068 1.00 25.00 H new ATOM 0 HA LEU A 104 8.187 -3.930 -6.562 1.00 25.00 H new ATOM 0 HB2 LEU A 104 7.491 -0.989 -6.077 1.00 25.00 H new ATOM 0 HB3 LEU A 104 6.404 -2.335 -5.794 1.00 25.00 H new ATOM 0 HG LEU A 104 9.020 -1.946 -4.341 1.00 25.00 H new ATOM 0 HD11 LEU A 104 7.614 -1.162 -2.428 1.00 25.00 H new ATOM 0 HD12 LEU A 104 7.473 -0.086 -3.839 1.00 25.00 H new ATOM 0 HD13 LEU A 104 6.176 -1.249 -3.472 1.00 25.00 H new ATOM 0 HD21 LEU A 104 8.060 -3.518 -2.691 1.00 25.00 H new ATOM 0 HD22 LEU A 104 6.627 -3.712 -3.728 1.00 25.00 H new ATOM 0 HD23 LEU A 104 8.222 -4.253 -4.303 1.00 25.00 H new ATOM 1637 N GLN A 105 7.528 -1.440 -8.670 1.00 25.00 N ATOM 1638 CA GLN A 105 6.968 -1.056 -9.989 1.00 25.00 C ATOM 1639 C GLN A 105 7.462 -1.937 -11.147 1.00 25.00 C ATOM 1640 O GLN A 105 6.726 -2.180 -12.108 1.00 25.00 O ATOM 1641 CB GLN A 105 7.324 0.405 -10.296 1.00 25.00 C ATOM 1642 CG GLN A 105 6.619 0.970 -11.522 1.00 25.00 C ATOM 1643 CD GLN A 105 5.113 1.094 -11.346 1.00 25.00 C ATOM 1644 OE1 GLN A 105 4.624 1.707 -10.394 1.00 25.00 O ATOM 1645 NE2 GLN A 105 4.366 0.520 -12.281 1.00 25.00 N ATOM 0 H GLN A 105 7.910 -0.650 -8.150 1.00 25.00 H new ATOM 0 HA GLN A 105 5.889 -1.195 -9.914 1.00 25.00 H new ATOM 0 HB2 GLN A 105 7.074 1.019 -9.431 1.00 25.00 H new ATOM 0 HB3 GLN A 105 8.401 0.483 -10.441 1.00 25.00 H new ATOM 0 HG2 GLN A 105 7.033 1.952 -11.750 1.00 25.00 H new ATOM 0 HG3 GLN A 105 6.826 0.329 -12.379 1.00 25.00 H new ATOM 0 HE21 GLN A 105 4.809 0.022 -13.053 1.00 25.00 H new ATOM 0 HE22 GLN A 105 3.349 0.577 -12.228 1.00 25.00 H new ATOM 1654 N GLN A 106 8.709 -2.406 -11.039 1.00 25.00 N ATOM 1655 CA GLN A 106 9.329 -3.256 -12.061 1.00 25.00 C ATOM 1656 C GLN A 106 8.942 -4.729 -11.862 1.00 25.00 C ATOM 1657 O GLN A 106 9.034 -5.532 -12.792 1.00 25.00 O ATOM 1658 CB GLN A 106 10.857 -3.075 -12.023 1.00 25.00 C ATOM 1659 CG GLN A 106 11.338 -1.751 -12.615 1.00 25.00 C ATOM 1660 CD GLN A 106 12.831 -1.527 -12.449 1.00 25.00 C ATOM 1661 OE1 GLN A 106 13.552 -2.399 -11.963 1.00 25.00 O ATOM 1662 NE2 GLN A 106 13.304 -0.355 -12.859 1.00 25.00 N ATOM 0 H GLN A 106 9.316 -2.208 -10.243 1.00 25.00 H new ATOM 0 HA GLN A 106 8.962 -2.954 -13.042 1.00 25.00 H new ATOM 0 HB2 GLN A 106 11.196 -3.144 -10.989 1.00 25.00 H new ATOM 0 HB3 GLN A 106 11.324 -3.896 -12.567 1.00 25.00 H new ATOM 0 HG2 GLN A 106 11.089 -1.723 -13.676 1.00 25.00 H new ATOM 0 HG3 GLN A 106 10.799 -0.931 -12.140 1.00 25.00 H new ATOM 0 HE21 GLN A 106 12.671 0.340 -13.256 1.00 25.00 H new ATOM 0 HE22 GLN A 106 14.300 -0.150 -12.777 1.00 25.00 H new ATOM 1671 N ILE A 107 8.506 -5.059 -10.636 1.00 25.00 N ATOM 1672 CA ILE A 107 8.024 -6.401 -10.287 1.00 25.00 C ATOM 1673 C ILE A 107 6.555 -6.614 -10.734 1.00 25.00 C ATOM 1674 O ILE A 107 6.228 -7.674 -11.275 1.00 25.00 O ATOM 1675 CB ILE A 107 8.182 -6.668 -8.748 1.00 25.00 C ATOM 1676 CG1 ILE A 107 9.689 -6.713 -8.363 1.00 25.00 C ATOM 1677 CG2 ILE A 107 7.467 -7.958 -8.332 1.00 25.00 C ATOM 1678 CD1 ILE A 107 9.999 -6.771 -6.869 1.00 25.00 C ATOM 0 H ILE A 107 8.479 -4.400 -9.858 1.00 25.00 H new ATOM 0 HA ILE A 107 8.640 -7.121 -10.826 1.00 25.00 H new ATOM 0 HB ILE A 107 7.712 -5.847 -8.207 1.00 25.00 H new ATOM 0 HG12 ILE A 107 10.139 -7.583 -8.841 1.00 25.00 H new ATOM 0 HG13 ILE A 107 10.176 -5.832 -8.781 1.00 25.00 H new ATOM 0 HG21 ILE A 107 7.595 -8.116 -7.261 1.00 25.00 H new ATOM 0 HG22 ILE A 107 6.405 -7.876 -8.563 1.00 25.00 H new ATOM 0 HG23 ILE A 107 7.892 -8.801 -8.876 1.00 25.00 H new ATOM 0 HD11 ILE A 107 11.079 -6.799 -6.722 1.00 25.00 H new ATOM 0 HD12 ILE A 107 9.589 -5.889 -6.378 1.00 25.00 H new ATOM 0 HD13 ILE A 107 9.551 -7.667 -6.439 1.00 25.00 H new ATOM 1690 N ILE A 108 5.685 -5.610 -10.511 1.00 25.00 N ATOM 1691 CA ILE A 108 4.245 -5.724 -10.851 1.00 25.00 C ATOM 1692 C ILE A 108 4.038 -5.722 -12.372 1.00 25.00 C ATOM 1693 O ILE A 108 3.162 -6.421 -12.882 1.00 25.00 O ATOM 1694 CB ILE A 108 3.382 -4.589 -10.211 1.00 25.00 C ATOM 1695 CG1 ILE A 108 3.432 -4.688 -8.683 1.00 25.00 C ATOM 1696 CG2 ILE A 108 1.921 -4.687 -10.682 1.00 25.00 C ATOM 1697 CD1 ILE A 108 3.311 -3.364 -7.955 1.00 25.00 C ATOM 0 H ILE A 108 5.948 -4.714 -10.100 1.00 25.00 H new ATOM 0 HA ILE A 108 3.910 -6.674 -10.435 1.00 25.00 H new ATOM 0 HB ILE A 108 3.792 -3.630 -10.527 1.00 25.00 H new ATOM 0 HG12 ILE A 108 2.629 -5.345 -8.349 1.00 25.00 H new ATOM 0 HG13 ILE A 108 4.371 -5.161 -8.394 1.00 25.00 H new ATOM 0 HG21 ILE A 108 1.337 -3.888 -10.225 1.00 25.00 H new ATOM 0 HG22 ILE A 108 1.881 -4.591 -11.767 1.00 25.00 H new ATOM 0 HG23 ILE A 108 1.508 -5.652 -10.388 1.00 25.00 H new ATOM 0 HD11 ILE A 108 3.357 -3.535 -6.879 1.00 25.00 H new ATOM 0 HD12 ILE A 108 4.129 -2.709 -8.254 1.00 25.00 H new ATOM 0 HD13 ILE A 108 2.360 -2.895 -8.208 1.00 25.00 H new ATOM 1709 N SER A 109 4.855 -4.930 -13.072 1.00 25.00 N ATOM 1710 CA SER A 109 4.818 -4.847 -14.545 1.00 25.00 C ATOM 1711 C SER A 109 5.183 -6.189 -15.212 1.00 25.00 C ATOM 1712 O SER A 109 4.895 -6.400 -16.394 1.00 25.00 O ATOM 1713 CB SER A 109 5.752 -3.734 -15.036 1.00 25.00 C ATOM 1714 OG SER A 109 7.107 -4.016 -14.724 1.00 25.00 O ATOM 0 H SER A 109 5.559 -4.330 -12.642 1.00 25.00 H new ATOM 0 HA SER A 109 3.794 -4.611 -14.834 1.00 25.00 H new ATOM 0 HB2 SER A 109 5.643 -3.616 -16.114 1.00 25.00 H new ATOM 0 HB3 SER A 109 5.462 -2.787 -14.580 1.00 25.00 H new ATOM 0 HG SER A 109 7.676 -3.289 -15.051 1.00 25.00 H new ATOM 1720 N ARG A 110 5.815 -7.086 -14.434 1.00 25.00 N ATOM 1721 CA ARG A 110 6.095 -8.465 -14.873 1.00 25.00 C ATOM 1722 C ARG A 110 4.834 -9.327 -14.757 1.00 25.00 C ATOM 1723 O ARG A 110 4.516 -10.107 -15.659 1.00 25.00 O ATOM 1724 CB ARG A 110 7.215 -9.094 -14.028 1.00 25.00 C ATOM 1725 CG ARG A 110 7.602 -10.499 -14.455 1.00 25.00 C ATOM 1726 CD ARG A 110 8.046 -10.539 -15.909 1.00 25.00 C ATOM 1727 NE ARG A 110 8.360 -11.902 -16.353 1.00 25.00 N ATOM 1728 CZ ARG A 110 8.529 -12.272 -17.632 1.00 25.00 C ATOM 1729 NH1 ARG A 110 8.418 -11.392 -18.627 1.00 25.00 N ATOM 1730 NH2 ARG A 110 8.810 -13.536 -17.916 1.00 25.00 N ATOM 0 H ARG A 110 6.144 -6.878 -13.491 1.00 25.00 H new ATOM 0 HA ARG A 110 6.416 -8.424 -15.914 1.00 25.00 H new ATOM 0 HB2 ARG A 110 8.096 -8.455 -14.080 1.00 25.00 H new ATOM 0 HB3 ARG A 110 6.899 -9.117 -12.985 1.00 25.00 H new ATOM 0 HG2 ARG A 110 8.407 -10.865 -13.818 1.00 25.00 H new ATOM 0 HG3 ARG A 110 6.754 -11.169 -14.314 1.00 25.00 H new ATOM 0 HD2 ARG A 110 7.259 -10.125 -16.539 1.00 25.00 H new ATOM 0 HD3 ARG A 110 8.923 -9.905 -16.037 1.00 25.00 H new ATOM 0 HE ARG A 110 8.457 -12.621 -15.637 1.00 25.00 H new ATOM 0 HH11 ARG A 110 8.201 -10.416 -18.423 1.00 25.00 H new ATOM 0 HH12 ARG A 110 8.550 -11.694 -19.592 1.00 25.00 H new ATOM 0 HH21 ARG A 110 8.896 -14.220 -17.165 1.00 25.00 H new ATOM 0 HH22 ARG A 110 8.940 -13.824 -18.886 1.00 25.00 H new ATOM 1744 N TYR A 111 4.130 -9.164 -13.629 1.00 25.00 N ATOM 1745 CA TYR A 111 2.838 -9.830 -13.382 1.00 25.00 C ATOM 1746 C TYR A 111 1.682 -9.091 -14.083 1.00 25.00 C ATOM 1747 O TYR A 111 0.524 -9.517 -14.018 1.00 25.00 O ATOM 1748 CB TYR A 111 2.575 -9.923 -11.874 1.00 25.00 C ATOM 1749 CG TYR A 111 3.671 -10.647 -11.117 1.00 25.00 C ATOM 1750 CD1 TYR A 111 4.538 -9.954 -10.273 1.00 25.00 C ATOM 1751 CD2 TYR A 111 3.829 -12.021 -11.234 1.00 25.00 C ATOM 1752 CE1 TYR A 111 5.522 -10.614 -9.571 1.00 25.00 C ATOM 1753 CE2 TYR A 111 4.817 -12.684 -10.538 1.00 25.00 C ATOM 1754 CZ TYR A 111 5.657 -11.976 -9.707 1.00 25.00 C ATOM 1755 OH TYR A 111 6.634 -12.638 -9.004 1.00 25.00 O ATOM 0 H TYR A 111 4.437 -8.568 -12.861 1.00 25.00 H new ATOM 0 HA TYR A 111 2.891 -10.836 -13.799 1.00 25.00 H new ATOM 0 HB2 TYR A 111 2.467 -8.917 -11.469 1.00 25.00 H new ATOM 0 HB3 TYR A 111 1.628 -10.437 -11.708 1.00 25.00 H new ATOM 0 HD1 TYR A 111 4.436 -8.884 -10.168 1.00 25.00 H new ATOM 0 HD2 TYR A 111 3.168 -12.579 -11.880 1.00 25.00 H new ATOM 0 HE1 TYR A 111 6.184 -10.065 -8.917 1.00 25.00 H new ATOM 0 HE2 TYR A 111 4.932 -13.753 -10.644 1.00 25.00 H new ATOM 0 HH TYR A 111 7.037 -13.326 -9.573 1.00 25.00 H new ATOM 1765 N LYS A 112 2.029 -7.988 -14.761 1.00 25.00 N ATOM 1766 CA LYS A 112 1.074 -7.167 -15.508 1.00 25.00 C ATOM 1767 C LYS A 112 0.984 -7.647 -16.965 1.00 25.00 C ATOM 1768 O LYS A 112 -0.081 -7.583 -17.586 1.00 25.00 O ATOM 1769 CB LYS A 112 1.521 -5.701 -15.454 1.00 25.00 C ATOM 1770 CG LYS A 112 1.098 -4.956 -14.188 1.00 25.00 C ATOM 1771 CD LYS A 112 0.000 -3.906 -14.437 1.00 25.00 C ATOM 1772 CE LYS A 112 -0.386 -3.112 -13.183 1.00 25.00 C ATOM 1773 NZ LYS A 112 0.706 -2.205 -12.722 1.00 25.00 N ATOM 0 H LYS A 112 2.987 -7.641 -14.805 1.00 25.00 H new ATOM 0 HA LYS A 112 0.085 -7.260 -15.058 1.00 25.00 H new ATOM 0 HB2 LYS A 112 2.607 -5.662 -15.538 1.00 25.00 H new ATOM 0 HB3 LYS A 112 1.116 -5.178 -16.321 1.00 25.00 H new ATOM 0 HG2 LYS A 112 0.741 -5.677 -13.453 1.00 25.00 H new ATOM 0 HG3 LYS A 112 1.970 -4.465 -13.756 1.00 25.00 H new ATOM 0 HD2 LYS A 112 0.340 -3.212 -15.206 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -0.887 -4.405 -14.828 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -1.280 -2.523 -13.390 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -0.640 -3.806 -12.382 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 0.552 -1.955 -11.724 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 1.622 -2.687 -12.821 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 0.706 -1.340 -13.299 1.00 25.00 H new