USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 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 26 SER OG : rot 11:sc= -0.902 USER MOD Set 1.2: A 70 THR OG1 : rot 38:sc= 1.17 USER MOD Set 2.1: A 2 GLN : amide:sc= -1.55 K(o=-1.6,f=-3.7!) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.0757 X(o=-1.6,f=-1.9) USER MOD Single : A 9 SER OG : rot 67:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -1.04 X(o=-1,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= -4.2! USER MOD Single : A 20 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.45) USER MOD Single : A 21 SER OG : rot 110:sc= -1.18 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 64:sc= -0.374 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 41 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0098) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.47) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0799 USER MOD Single : A 60 GLN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.04! K(o=-1!,f=0.23) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.550 -1.645 -2.922 1.00 0.00 N ATOM 12 CA GLN A 2 1.600 -2.975 -3.519 1.00 0.00 C ATOM 13 C GLN A 2 3.018 -3.321 -3.960 1.00 0.00 C ATOM 14 O GLN A 2 3.616 -2.615 -4.773 1.00 0.00 O ATOM 15 CB GLN A 2 0.648 -3.056 -4.714 1.00 0.00 C ATOM 16 CG GLN A 2 0.729 -4.373 -5.468 1.00 0.00 C ATOM 17 CD GLN A 2 0.256 -5.551 -4.638 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.741 -5.459 -3.921 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.971 -6.666 -4.730 1.00 0.00 N ATOM 0 HA GLN A 2 1.288 -3.697 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.374 -2.909 -4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.870 -2.239 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.126 -4.306 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.759 -4.545 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.790 -6.698 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.701 -7.491 -4.194 1.00 0.00 H new ATOM 28 N VAL A 3 3.552 -4.411 -3.417 1.00 0.00 N ATOM 29 CA VAL A 3 4.900 -4.851 -3.755 1.00 0.00 C ATOM 30 C VAL A 3 4.949 -6.359 -3.969 1.00 0.00 C ATOM 31 O VAL A 3 4.624 -7.134 -3.070 1.00 0.00 O ATOM 32 CB VAL A 3 5.908 -4.466 -2.655 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.301 -4.963 -3.010 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.909 -2.961 -2.437 1.00 0.00 C ATOM 0 H VAL A 3 3.071 -5.005 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 3 5.174 -4.347 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 3 5.604 -4.944 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.999 -4.682 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.285 -6.048 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.618 -4.516 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.627 -2.707 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.188 -2.459 -3.364 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.913 -2.637 -2.134 1.00 0.00 H new ATOM 44 N ASN A 4 5.358 -6.769 -5.165 1.00 0.00 N ATOM 45 CA ASN A 4 5.449 -8.186 -5.498 1.00 0.00 C ATOM 46 C ASN A 4 6.887 -8.577 -5.824 1.00 0.00 C ATOM 47 O ASN A 4 7.436 -8.163 -6.846 1.00 0.00 O ATOM 48 CB ASN A 4 4.538 -8.513 -6.683 1.00 0.00 C ATOM 49 CG ASN A 4 4.480 -7.385 -7.696 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.752 -6.410 -7.514 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.250 -7.516 -8.770 1.00 0.00 N ATOM 0 H ASN A 4 5.632 -6.140 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 4 5.124 -8.759 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.894 -9.419 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.532 -8.722 -6.318 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.254 -6.790 -9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.838 -8.343 -8.878 1.00 0.00 H new ATOM 58 N ILE A 5 7.490 -9.376 -4.951 1.00 0.00 N ATOM 59 CA ILE A 5 8.863 -9.824 -5.147 1.00 0.00 C ATOM 60 C ILE A 5 8.939 -11.344 -5.233 1.00 0.00 C ATOM 61 O ILE A 5 8.309 -12.052 -4.448 1.00 0.00 O ATOM 62 CB ILE A 5 9.782 -9.339 -4.010 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.718 -7.815 -3.888 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.212 -9.797 -4.253 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.317 -7.286 -2.604 1.00 0.00 C ATOM 0 H ILE A 5 7.049 -9.727 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 5 9.204 -9.392 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 5 9.436 -9.774 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.241 -7.369 -4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.677 -7.497 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.849 -9.447 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.243 -10.886 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.570 -9.387 -5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.237 -6.199 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.780 -7.704 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.367 -7.573 -2.547 1.00 0.00 H new ATOM 77 N ALA A 6 9.715 -11.839 -6.191 1.00 0.00 N ATOM 78 CA ALA A 6 9.876 -13.276 -6.378 1.00 0.00 C ATOM 79 C ALA A 6 11.010 -13.818 -5.513 1.00 0.00 C ATOM 80 O ALA A 6 12.117 -13.279 -5.490 1.00 0.00 O ATOM 81 CB ALA A 6 10.130 -13.593 -7.844 1.00 0.00 C ATOM 0 H ALA A 6 10.242 -11.266 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 6 8.952 -13.764 -6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.248 -14.669 -7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.286 -13.249 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.038 -13.088 -8.173 1.00 0.00 H new ATOM 87 N PRO A 7 10.730 -14.909 -4.785 1.00 0.00 N ATOM 88 CA PRO A 7 11.714 -15.547 -3.906 1.00 0.00 C ATOM 89 C PRO A 7 12.830 -16.234 -4.686 1.00 0.00 C ATOM 90 O PRO A 7 13.010 -15.987 -5.877 1.00 0.00 O ATOM 91 CB PRO A 7 10.886 -16.579 -3.136 1.00 0.00 C ATOM 92 CG PRO A 7 9.732 -16.881 -4.030 1.00 0.00 C ATOM 93 CD PRO A 7 9.432 -15.604 -4.764 1.00 0.00 C ATOM 0 HA PRO A 7 12.219 -14.823 -3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.468 -17.476 -2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.551 -16.183 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.977 -17.683 -4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.868 -17.212 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.063 -15.797 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.670 -15.016 -4.253 1.00 0.00 H new ATOM 101 N GLY A 8 13.576 -17.099 -4.005 1.00 0.00 N ATOM 102 CA GLY A 8 14.664 -17.809 -4.652 1.00 0.00 C ATOM 103 C GLY A 8 16.021 -17.226 -4.309 1.00 0.00 C ATOM 104 O GLY A 8 17.027 -17.572 -4.927 1.00 0.00 O ATOM 0 H GLY A 8 13.446 -17.320 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.637 -18.858 -4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.522 -17.779 -5.732 1.00 0.00 H new ATOM 108 N SER A 9 16.049 -16.337 -3.321 1.00 0.00 N ATOM 109 CA SER A 9 17.292 -15.700 -2.900 1.00 0.00 C ATOM 110 C SER A 9 17.038 -14.706 -1.771 1.00 0.00 C ATOM 111 O SER A 9 16.407 -13.667 -1.973 1.00 0.00 O ATOM 112 CB SER A 9 17.950 -14.988 -4.083 1.00 0.00 C ATOM 113 OG SER A 9 18.931 -15.811 -4.692 1.00 0.00 O ATOM 0 H SER A 9 15.225 -16.041 -2.797 1.00 0.00 H new ATOM 0 HA SER A 9 17.963 -16.476 -2.533 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.191 -14.718 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.409 -14.060 -3.743 1.00 0.00 H new ATOM 0 HG SER A 9 18.496 -16.581 -5.114 1.00 0.00 H new ATOM 119 N LEU A 10 17.533 -15.032 -0.583 1.00 0.00 N ATOM 120 CA LEU A 10 17.361 -14.168 0.581 1.00 0.00 C ATOM 121 C LEU A 10 17.796 -12.740 0.268 1.00 0.00 C ATOM 122 O LEU A 10 17.008 -11.802 0.380 1.00 0.00 O ATOM 123 CB LEU A 10 18.162 -14.710 1.766 1.00 0.00 C ATOM 124 CG LEU A 10 17.753 -14.193 3.145 1.00 0.00 C ATOM 125 CD1 LEU A 10 18.337 -15.073 4.240 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.196 -12.749 3.327 1.00 0.00 C ATOM 0 H LEU A 10 18.057 -15.888 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 10 16.303 -14.157 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.079 -15.797 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.214 -14.471 1.608 1.00 0.00 H new ATOM 0 HG LEU A 10 16.666 -14.230 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 10 18.035 -14.690 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 10 17.970 -16.093 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.425 -15.068 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.896 -12.398 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.280 -12.686 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 10 17.730 -12.126 2.564 1.00 0.00 H new ATOM 138 N ASP A 11 19.055 -12.584 -0.126 1.00 0.00 N ATOM 139 CA ASP A 11 19.595 -11.271 -0.459 1.00 0.00 C ATOM 140 C ASP A 11 18.756 -10.596 -1.540 1.00 0.00 C ATOM 141 O ASP A 11 18.517 -9.390 -1.492 1.00 0.00 O ATOM 142 CB ASP A 11 21.046 -11.396 -0.926 1.00 0.00 C ATOM 143 CG ASP A 11 21.161 -12.044 -2.291 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.129 -13.290 -2.361 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.284 -11.305 -3.291 1.00 0.00 O ATOM 0 H ASP A 11 19.721 -13.351 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 11 19.562 -10.654 0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.501 -10.406 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.609 -11.983 -0.200 1.00 0.00 H new ATOM 150 N LYS A 12 18.312 -11.383 -2.514 1.00 0.00 N ATOM 151 CA LYS A 12 17.500 -10.864 -3.607 1.00 0.00 C ATOM 152 C LYS A 12 16.211 -10.242 -3.079 1.00 0.00 C ATOM 153 O LYS A 12 15.923 -9.074 -3.339 1.00 0.00 O ATOM 154 CB LYS A 12 17.170 -11.980 -4.600 1.00 0.00 C ATOM 155 CG LYS A 12 16.292 -11.529 -5.754 1.00 0.00 C ATOM 156 CD LYS A 12 17.010 -10.528 -6.644 1.00 0.00 C ATOM 157 CE LYS A 12 17.573 -11.194 -7.890 1.00 0.00 C ATOM 158 NZ LYS A 12 17.052 -10.567 -9.137 1.00 0.00 N ATOM 0 H LYS A 12 18.501 -12.384 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 12 18.074 -10.091 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.100 -12.386 -4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.670 -12.790 -4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.994 -12.395 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.379 -11.080 -5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.319 -9.736 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.819 -10.057 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.661 -11.128 -7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.318 -12.254 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.459 -11.049 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.016 -10.652 -9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.317 -9.562 -9.157 1.00 0.00 H new ATOM 172 N ALA A 13 15.440 -11.029 -2.337 1.00 0.00 N ATOM 173 CA ALA A 13 14.184 -10.554 -1.770 1.00 0.00 C ATOM 174 C ALA A 13 14.411 -9.342 -0.872 1.00 0.00 C ATOM 175 O ALA A 13 13.558 -8.458 -0.779 1.00 0.00 O ATOM 176 CB ALA A 13 13.501 -11.669 -0.991 1.00 0.00 C ATOM 0 H ALA A 13 15.663 -11.999 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 13 13.535 -10.249 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.564 -11.300 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.296 -12.506 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.153 -12.000 -0.183 1.00 0.00 H new ATOM 182 N LEU A 14 15.563 -9.308 -0.213 1.00 0.00 N ATOM 183 CA LEU A 14 15.902 -8.204 0.679 1.00 0.00 C ATOM 184 C LEU A 14 16.115 -6.914 -0.108 1.00 0.00 C ATOM 185 O LEU A 14 15.497 -5.890 0.181 1.00 0.00 O ATOM 186 CB LEU A 14 17.160 -8.538 1.482 1.00 0.00 C ATOM 187 CG LEU A 14 18.008 -7.347 1.928 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.203 -6.427 2.833 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.268 -7.824 2.635 1.00 0.00 C ATOM 0 H LEU A 14 16.279 -10.032 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 14 15.069 -8.056 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.863 -9.099 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.785 -9.199 0.882 1.00 0.00 H new ATOM 0 HG LEU A 14 18.303 -6.784 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.823 -5.585 3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.331 -6.057 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.877 -6.978 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.859 -6.963 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.993 -8.411 3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.855 -8.441 1.955 1.00 0.00 H new ATOM 201 N ASN A 15 16.992 -6.973 -1.105 1.00 0.00 N ATOM 202 CA ASN A 15 17.284 -5.810 -1.935 1.00 0.00 C ATOM 203 C ASN A 15 16.036 -5.345 -2.679 1.00 0.00 C ATOM 204 O ASN A 15 15.859 -4.153 -2.929 1.00 0.00 O ATOM 205 CB ASN A 15 18.396 -6.138 -2.934 1.00 0.00 C ATOM 206 CG ASN A 15 19.579 -6.824 -2.279 1.00 0.00 C ATOM 207 OD1 ASN A 15 19.962 -6.489 -1.158 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.163 -7.791 -2.977 1.00 0.00 N ATOM 0 H ASN A 15 17.512 -7.813 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 15 17.617 -5.003 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.997 -6.780 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.733 -5.219 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.963 -8.289 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.812 -8.035 -3.903 1.00 0.00 H new ATOM 215 N GLN A 16 15.175 -6.295 -3.030 1.00 0.00 N ATOM 216 CA GLN A 16 13.944 -5.982 -3.746 1.00 0.00 C ATOM 217 C GLN A 16 13.075 -5.021 -2.941 1.00 0.00 C ATOM 218 O GLN A 16 12.711 -3.947 -3.421 1.00 0.00 O ATOM 219 CB GLN A 16 13.164 -7.263 -4.047 1.00 0.00 C ATOM 220 CG GLN A 16 13.821 -8.142 -5.099 1.00 0.00 C ATOM 221 CD GLN A 16 13.239 -7.929 -6.483 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.428 -7.027 -6.696 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.652 -8.759 -7.433 1.00 0.00 N ATOM 0 H GLN A 16 15.307 -7.287 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 16 14.213 -5.500 -4.686 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.052 -7.835 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.161 -6.998 -4.382 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.891 -7.935 -5.123 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.705 -9.188 -4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.325 -9.493 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.296 -8.663 -8.384 1.00 0.00 H new ATOM 232 N TYR A 17 12.747 -5.414 -1.715 1.00 0.00 N ATOM 233 CA TYR A 17 11.918 -4.589 -0.844 1.00 0.00 C ATOM 234 C TYR A 17 12.708 -3.399 -0.308 1.00 0.00 C ATOM 235 O TYR A 17 12.161 -2.315 -0.109 1.00 0.00 O ATOM 236 CB TYR A 17 11.377 -5.422 0.319 1.00 0.00 C ATOM 237 CG TYR A 17 12.250 -5.379 1.552 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.132 -4.347 2.476 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.193 -6.370 1.795 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.929 -4.304 3.603 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.993 -6.335 2.921 1.00 0.00 C ATOM 242 CZ TYR A 17 13.857 -5.300 3.822 1.00 0.00 C ATOM 243 OH TYR A 17 14.651 -5.261 4.945 1.00 0.00 O ATOM 0 H TYR A 17 13.042 -6.299 -1.302 1.00 0.00 H new ATOM 0 HA TYR A 17 11.081 -4.212 -1.432 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.380 -5.065 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.271 -6.457 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.405 -3.566 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.303 -7.182 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.826 -3.494 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.721 -7.114 3.094 1.00 0.00 H new ATOM 0 HH TYR A 17 15.250 -6.037 4.949 1.00 0.00 H new ATOM 253 N ALA A 18 14.000 -3.610 -0.078 1.00 0.00 N ATOM 254 CA ALA A 18 14.867 -2.556 0.433 1.00 0.00 C ATOM 255 C ALA A 18 14.844 -1.336 -0.481 1.00 0.00 C ATOM 256 O ALA A 18 14.770 -0.200 -0.014 1.00 0.00 O ATOM 257 CB ALA A 18 16.290 -3.073 0.590 1.00 0.00 C ATOM 0 H ALA A 18 14.469 -4.502 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 18 14.492 -2.253 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.927 -2.275 0.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.298 -3.910 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.666 -3.404 -0.378 1.00 0.00 H new ATOM 263 N ALA A 19 14.908 -1.578 -1.786 1.00 0.00 N ATOM 264 CA ALA A 19 14.893 -0.499 -2.766 1.00 0.00 C ATOM 265 C ALA A 19 13.483 0.049 -2.958 1.00 0.00 C ATOM 266 O ALA A 19 13.302 1.194 -3.371 1.00 0.00 O ATOM 267 CB ALA A 19 15.459 -0.982 -4.093 1.00 0.00 C ATOM 0 H ALA A 19 14.971 -2.513 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 19 15.520 0.309 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.441 -0.165 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.486 -1.318 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.856 -1.809 -4.466 1.00 0.00 H new ATOM 273 N HIS A 20 12.486 -0.777 -2.656 1.00 0.00 N ATOM 274 CA HIS A 20 11.091 -0.375 -2.796 1.00 0.00 C ATOM 275 C HIS A 20 10.706 0.633 -1.718 1.00 0.00 C ATOM 276 O HIS A 20 9.802 1.447 -1.909 1.00 0.00 O ATOM 277 CB HIS A 20 10.176 -1.598 -2.717 1.00 0.00 C ATOM 278 CG HIS A 20 9.891 -2.219 -4.050 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.490 -1.491 -5.150 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.954 -3.509 -4.457 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.316 -2.305 -6.175 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.592 -3.536 -5.781 1.00 0.00 N ATOM 0 H HIS A 20 12.618 -1.728 -2.313 1.00 0.00 H new ATOM 0 HA HIS A 20 10.970 0.098 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.635 -2.344 -2.068 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.234 -1.308 -2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.236 -4.358 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.002 -2.014 -7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.544 -4.370 -6.366 1.00 0.00 H new ATOM 290 N SER A 21 11.397 0.573 -0.584 1.00 0.00 N ATOM 291 CA SER A 21 11.124 1.478 0.527 1.00 0.00 C ATOM 292 C SER A 21 12.038 2.699 0.470 1.00 0.00 C ATOM 293 O SER A 21 11.625 3.812 0.791 1.00 0.00 O ATOM 294 CB SER A 21 11.305 0.752 1.861 1.00 0.00 C ATOM 295 OG SER A 21 10.144 0.016 2.203 1.00 0.00 O ATOM 0 H SER A 21 12.150 -0.093 -0.410 1.00 0.00 H new ATOM 0 HA SER A 21 10.091 1.815 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.161 0.079 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.525 1.476 2.646 1.00 0.00 H new ATOM 0 HG SER A 21 10.330 -0.943 2.127 1.00 0.00 H new ATOM 301 N GLY A 22 13.283 2.479 0.060 1.00 0.00 N ATOM 302 CA GLY A 22 14.237 3.569 -0.031 1.00 0.00 C ATOM 303 C GLY A 22 14.982 3.797 1.269 1.00 0.00 C ATOM 304 O GLY A 22 15.483 4.893 1.521 1.00 0.00 O ATOM 0 H GLY A 22 13.648 1.566 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.953 3.355 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.714 4.483 -0.312 1.00 0.00 H new ATOM 308 N PHE A 23 15.054 2.761 2.098 1.00 0.00 N ATOM 309 CA PHE A 23 15.741 2.855 3.381 1.00 0.00 C ATOM 310 C PHE A 23 16.959 1.936 3.414 1.00 0.00 C ATOM 311 O PHE A 23 17.154 1.111 2.521 1.00 0.00 O ATOM 312 CB PHE A 23 14.786 2.497 4.522 1.00 0.00 C ATOM 313 CG PHE A 23 14.677 1.020 4.771 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.085 0.188 3.834 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.167 0.463 5.941 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.982 -1.171 4.061 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.067 -0.895 6.174 1.00 0.00 C ATOM 318 CZ PHE A 23 14.475 -1.714 5.232 1.00 0.00 C ATOM 0 H PHE A 23 14.645 1.847 1.904 1.00 0.00 H new ATOM 0 HA PHE A 23 16.080 3.883 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.124 2.987 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.796 2.893 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.700 0.607 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.633 1.098 6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.517 -1.808 3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.451 -1.316 7.091 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.398 -2.776 5.410 1.00 0.00 H new ATOM 328 N THR A 24 17.777 2.085 4.452 1.00 0.00 N ATOM 329 CA THR A 24 18.976 1.271 4.602 1.00 0.00 C ATOM 330 C THR A 24 18.767 0.169 5.635 1.00 0.00 C ATOM 331 O THR A 24 18.001 0.333 6.586 1.00 0.00 O ATOM 332 CB THR A 24 20.187 2.127 5.020 1.00 0.00 C ATOM 333 OG1 THR A 24 20.345 3.225 4.115 1.00 0.00 O ATOM 334 CG2 THR A 24 21.459 1.292 5.039 1.00 0.00 C ATOM 0 H THR A 24 17.630 2.762 5.201 1.00 0.00 H new ATOM 0 HA THR A 24 19.176 0.821 3.630 1.00 0.00 H new ATOM 0 HB THR A 24 20.006 2.508 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.116 3.766 4.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.300 1.918 5.337 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.346 0.473 5.750 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.643 0.886 4.044 1.00 0.00 H new ATOM 342 N LEU A 25 19.451 -0.953 5.443 1.00 0.00 N ATOM 343 CA LEU A 25 19.341 -2.083 6.359 1.00 0.00 C ATOM 344 C LEU A 25 20.708 -2.706 6.623 1.00 0.00 C ATOM 345 O LEU A 25 21.562 -2.751 5.737 1.00 0.00 O ATOM 346 CB LEU A 25 18.389 -3.136 5.789 1.00 0.00 C ATOM 347 CG LEU A 25 18.064 -4.314 6.708 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.700 -4.127 7.353 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.115 -5.624 5.934 1.00 0.00 C ATOM 0 H LEU A 25 20.088 -1.105 4.661 1.00 0.00 H new ATOM 0 HA LEU A 25 18.942 -1.715 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.455 -2.644 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.822 -3.528 4.868 1.00 0.00 H new ATOM 0 HG LEU A 25 18.814 -4.352 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.486 -4.975 8.003 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.698 -3.209 7.941 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.937 -4.063 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.881 -6.452 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.387 -5.596 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.114 -5.763 5.520 1.00 0.00 H new ATOM 361 N SER A 26 20.908 -3.187 7.845 1.00 0.00 N ATOM 362 CA SER A 26 22.172 -3.806 8.226 1.00 0.00 C ATOM 363 C SER A 26 21.945 -5.215 8.767 1.00 0.00 C ATOM 364 O SER A 26 21.538 -5.394 9.915 1.00 0.00 O ATOM 365 CB SER A 26 22.886 -2.954 9.276 1.00 0.00 C ATOM 366 OG SER A 26 22.198 -2.987 10.515 1.00 0.00 O ATOM 0 H SER A 26 20.211 -3.160 8.589 1.00 0.00 H new ATOM 0 HA SER A 26 22.798 -3.873 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.904 -3.318 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 26 22.959 -1.925 8.925 1.00 0.00 H new ATOM 0 HG SER A 26 21.508 -3.682 10.487 1.00 0.00 H new ATOM 372 N VAL A 27 22.213 -6.213 7.931 1.00 0.00 N ATOM 373 CA VAL A 27 22.040 -7.607 8.324 1.00 0.00 C ATOM 374 C VAL A 27 23.254 -8.442 7.935 1.00 0.00 C ATOM 375 O VAL A 27 23.805 -8.285 6.845 1.00 0.00 O ATOM 376 CB VAL A 27 20.781 -8.219 7.680 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.733 -7.902 6.193 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.741 -9.722 7.914 1.00 0.00 C ATOM 0 H VAL A 27 22.551 -6.082 6.977 1.00 0.00 H new ATOM 0 HA VAL A 27 21.927 -7.619 9.408 1.00 0.00 H new ATOM 0 HB VAL A 27 19.902 -7.777 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.837 -8.343 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.712 -6.821 6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.616 -8.315 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.845 -10.138 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.625 -10.183 7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.724 -9.923 8.985 1.00 0.00 H new ATOM 388 N ASP A 28 23.666 -9.331 8.832 1.00 0.00 N ATOM 389 CA ASP A 28 24.815 -10.193 8.583 1.00 0.00 C ATOM 390 C ASP A 28 24.465 -11.288 7.579 1.00 0.00 C ATOM 391 O ASP A 28 23.924 -12.330 7.947 1.00 0.00 O ATOM 392 CB ASP A 28 25.303 -10.819 9.890 1.00 0.00 C ATOM 393 CG ASP A 28 25.635 -9.779 10.942 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.276 -8.766 10.593 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.253 -9.978 12.114 1.00 0.00 O ATOM 0 H ASP A 28 23.221 -9.473 9.739 1.00 0.00 H new ATOM 0 HA ASP A 28 25.613 -9.581 8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.536 -11.490 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 28 26.187 -11.425 9.691 1.00 0.00 H new ATOM 524 N SER A 37 14.489 -16.935 0.911 1.00 0.00 N ATOM 525 CA SER A 37 13.438 -16.308 1.704 1.00 0.00 C ATOM 526 C SER A 37 12.173 -16.115 0.874 1.00 0.00 C ATOM 527 O SER A 37 12.224 -16.072 -0.354 1.00 0.00 O ATOM 528 CB SER A 37 13.916 -14.960 2.248 1.00 0.00 C ATOM 529 OG SER A 37 12.824 -14.169 2.682 1.00 0.00 O ATOM 0 HA SER A 37 13.205 -16.967 2.540 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.604 -15.122 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.470 -14.428 1.475 1.00 0.00 H new ATOM 0 HG SER A 37 12.374 -14.615 3.430 1.00 0.00 H new ATOM 535 N ASN A 38 11.038 -15.999 1.555 1.00 0.00 N ATOM 536 CA ASN A 38 9.758 -15.811 0.882 1.00 0.00 C ATOM 537 C ASN A 38 9.586 -14.362 0.436 1.00 0.00 C ATOM 538 O ASN A 38 9.690 -13.437 1.241 1.00 0.00 O ATOM 539 CB ASN A 38 8.607 -16.211 1.807 1.00 0.00 C ATOM 540 CG ASN A 38 8.293 -17.693 1.731 1.00 0.00 C ATOM 541 OD1 ASN A 38 7.862 -18.195 0.693 1.00 0.00 O ATOM 542 ND2 ASN A 38 8.509 -18.401 2.833 1.00 0.00 N ATOM 0 H ASN A 38 10.978 -16.032 2.573 1.00 0.00 H new ATOM 0 HA ASN A 38 9.744 -16.449 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.862 -15.948 2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.717 -15.640 1.543 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.317 -19.403 2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.867 -17.943 3.671 1.00 0.00 H new ATOM 549 N GLY A 39 9.322 -14.172 -0.853 1.00 0.00 N ATOM 550 CA GLY A 39 9.139 -12.834 -1.384 1.00 0.00 C ATOM 551 C GLY A 39 7.927 -12.138 -0.798 1.00 0.00 C ATOM 552 O GLY A 39 7.337 -12.615 0.173 1.00 0.00 O ATOM 0 H GLY A 39 9.232 -14.921 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.030 -12.240 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.035 -12.888 -2.468 1.00 0.00 H new ATOM 556 N LEU A 40 7.554 -11.007 -1.385 1.00 0.00 N ATOM 557 CA LEU A 40 6.405 -10.242 -0.914 1.00 0.00 C ATOM 558 C LEU A 40 5.265 -10.293 -1.926 1.00 0.00 C ATOM 559 O LEU A 40 5.482 -10.560 -3.109 1.00 0.00 O ATOM 560 CB LEU A 40 6.806 -8.789 -0.654 1.00 0.00 C ATOM 561 CG LEU A 40 5.739 -7.903 -0.009 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.253 -8.516 1.295 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.282 -6.502 0.228 1.00 0.00 C ATOM 0 H LEU A 40 8.031 -10.599 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 40 6.060 -10.689 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.688 -8.786 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.099 -8.339 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 40 4.892 -7.832 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.494 -7.872 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.824 -9.499 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.091 -8.618 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.510 -5.885 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.146 -6.554 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.580 -6.061 -0.723 1.00 0.00 H new ATOM 575 N HIS A 41 4.049 -10.034 -1.454 1.00 0.00 N ATOM 576 CA HIS A 41 2.875 -10.048 -2.319 1.00 0.00 C ATOM 577 C HIS A 41 1.720 -9.283 -1.679 1.00 0.00 C ATOM 578 O HIS A 41 1.034 -9.799 -0.797 1.00 0.00 O ATOM 579 CB HIS A 41 2.449 -11.486 -2.613 1.00 0.00 C ATOM 580 CG HIS A 41 2.002 -11.701 -4.027 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.860 -12.400 -4.357 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.550 -11.304 -5.199 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.726 -12.424 -5.671 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.739 -11.766 -6.205 1.00 0.00 N ATOM 0 H HIS A 41 3.852 -9.812 -0.478 1.00 0.00 H new ATOM 0 HA HIS A 41 3.138 -9.557 -3.256 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.283 -12.154 -2.399 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.638 -11.761 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.457 -10.730 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.076 -12.901 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.893 -11.624 -7.203 1.00 0.00 H new ATOM 592 N GLY A 42 1.511 -8.050 -2.129 1.00 0.00 N ATOM 593 CA GLY A 42 0.439 -7.234 -1.588 1.00 0.00 C ATOM 594 C GLY A 42 0.923 -5.874 -1.125 1.00 0.00 C ATOM 595 O GLY A 42 2.069 -5.498 -1.372 1.00 0.00 O ATOM 0 H GLY A 42 2.065 -7.601 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.332 -7.103 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.024 -7.756 -0.750 1.00 0.00 H new ATOM 599 N ASP A 43 0.047 -5.134 -0.454 1.00 0.00 N ATOM 600 CA ASP A 43 0.391 -3.807 0.043 1.00 0.00 C ATOM 601 C ASP A 43 0.950 -3.886 1.460 1.00 0.00 C ATOM 602 O ASP A 43 0.261 -4.312 2.388 1.00 0.00 O ATOM 603 CB ASP A 43 -0.837 -2.895 0.017 1.00 0.00 C ATOM 604 CG ASP A 43 -2.051 -3.540 0.656 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.597 -4.495 0.064 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.455 -3.091 1.749 1.00 0.00 O ATOM 0 H ASP A 43 -0.906 -5.430 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 43 1.158 -3.390 -0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.607 -1.966 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.069 -2.633 -1.015 1.00 0.00 H new ATOM 611 N TYR A 44 2.203 -3.474 1.620 1.00 0.00 N ATOM 612 CA TYR A 44 2.856 -3.501 2.923 1.00 0.00 C ATOM 613 C TYR A 44 3.925 -2.417 3.019 1.00 0.00 C ATOM 614 O TYR A 44 4.802 -2.316 2.161 1.00 0.00 O ATOM 615 CB TYR A 44 3.482 -4.874 3.174 1.00 0.00 C ATOM 616 CG TYR A 44 2.483 -6.009 3.147 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.672 -6.273 4.243 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.351 -6.817 2.024 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.758 -7.309 4.223 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.439 -7.854 1.994 1.00 0.00 C ATOM 621 CZ TYR A 44 0.646 -8.097 3.096 1.00 0.00 C ATOM 622 OH TYR A 44 -0.264 -9.129 3.071 1.00 0.00 O ATOM 0 H TYR A 44 2.787 -3.117 0.863 1.00 0.00 H new ATOM 0 HA TYR A 44 2.100 -3.309 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.248 -5.058 2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.982 -4.864 4.142 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.757 -5.658 5.126 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.972 -6.631 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.135 -7.501 5.084 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.347 -8.471 1.112 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.218 -9.585 2.205 1.00 0.00 H new ATOM 632 N ASP A 45 3.846 -1.609 4.071 1.00 0.00 N ATOM 633 CA ASP A 45 4.808 -0.533 4.283 1.00 0.00 C ATOM 634 C ASP A 45 6.228 -1.082 4.369 1.00 0.00 C ATOM 635 O ASP A 45 6.453 -2.280 4.196 1.00 0.00 O ATOM 636 CB ASP A 45 4.468 0.239 5.558 1.00 0.00 C ATOM 637 CG ASP A 45 2.986 0.538 5.677 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.523 1.508 5.039 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.290 -0.197 6.406 1.00 0.00 O ATOM 0 H ASP A 45 3.126 -1.679 4.790 1.00 0.00 H new ATOM 0 HA ASP A 45 4.752 0.145 3.431 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.790 -0.338 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.027 1.175 5.572 1.00 0.00 H new ATOM 644 N VAL A 46 7.184 -0.198 4.637 1.00 0.00 N ATOM 645 CA VAL A 46 8.583 -0.594 4.746 1.00 0.00 C ATOM 646 C VAL A 46 8.778 -1.626 5.851 1.00 0.00 C ATOM 647 O VAL A 46 9.450 -2.638 5.657 1.00 0.00 O ATOM 648 CB VAL A 46 9.489 0.619 5.026 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.985 1.395 6.233 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.929 0.172 5.232 1.00 0.00 C ATOM 0 H VAL A 46 7.015 0.797 4.783 1.00 0.00 H new ATOM 0 HA VAL A 46 8.863 -1.034 3.789 1.00 0.00 H new ATOM 0 HB VAL A 46 9.458 1.281 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.638 2.249 6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.972 1.748 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.984 0.746 7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.555 1.042 5.429 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.980 -0.511 6.080 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.284 -0.336 4.335 1.00 0.00 H new ATOM 660 N GLU A 47 8.184 -1.362 7.011 1.00 0.00 N ATOM 661 CA GLU A 47 8.293 -2.268 8.148 1.00 0.00 C ATOM 662 C GLU A 47 7.443 -3.517 7.931 1.00 0.00 C ATOM 663 O GLU A 47 7.933 -4.641 8.040 1.00 0.00 O ATOM 664 CB GLU A 47 7.862 -1.562 9.435 1.00 0.00 C ATOM 665 CG GLU A 47 8.861 -0.527 9.925 1.00 0.00 C ATOM 666 CD GLU A 47 8.411 0.160 11.200 1.00 0.00 C ATOM 667 OE1 GLU A 47 8.059 -0.552 12.164 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.412 1.408 11.234 1.00 0.00 O ATOM 0 H GLU A 47 7.623 -0.529 7.188 1.00 0.00 H new ATOM 0 HA GLU A 47 9.336 -2.570 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.900 -1.076 9.269 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.712 -2.308 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.823 -1.009 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.014 0.222 9.148 1.00 0.00 H new ATOM 675 N SER A 48 6.166 -3.311 7.624 1.00 0.00 N ATOM 676 CA SER A 48 5.246 -4.419 7.397 1.00 0.00 C ATOM 677 C SER A 48 5.785 -5.360 6.324 1.00 0.00 C ATOM 678 O SER A 48 5.853 -6.573 6.523 1.00 0.00 O ATOM 679 CB SER A 48 3.871 -3.891 6.984 1.00 0.00 C ATOM 680 OG SER A 48 2.887 -4.224 7.949 1.00 0.00 O ATOM 0 H SER A 48 5.745 -2.387 7.527 1.00 0.00 H new ATOM 0 HA SER A 48 5.149 -4.976 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.915 -2.809 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.593 -4.309 6.017 1.00 0.00 H new ATOM 0 HG SER A 48 2.017 -3.874 7.663 1.00 0.00 H new ATOM 686 N GLY A 49 6.166 -4.792 5.184 1.00 0.00 N ATOM 687 CA GLY A 49 6.693 -5.594 4.095 1.00 0.00 C ATOM 688 C GLY A 49 7.985 -6.295 4.465 1.00 0.00 C ATOM 689 O GLY A 49 8.170 -7.474 4.159 1.00 0.00 O ATOM 0 H GLY A 49 6.119 -3.791 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.951 -6.337 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.865 -4.956 3.228 1.00 0.00 H new ATOM 693 N LEU A 50 8.883 -5.570 5.123 1.00 0.00 N ATOM 694 CA LEU A 50 10.166 -6.129 5.533 1.00 0.00 C ATOM 695 C LEU A 50 9.972 -7.433 6.299 1.00 0.00 C ATOM 696 O LEU A 50 10.557 -8.460 5.954 1.00 0.00 O ATOM 697 CB LEU A 50 10.929 -5.125 6.399 1.00 0.00 C ATOM 698 CG LEU A 50 11.872 -5.720 7.445 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.901 -6.624 6.784 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.558 -4.615 8.235 1.00 0.00 C ATOM 0 H LEU A 50 8.746 -4.594 5.384 1.00 0.00 H new ATOM 0 HA LEU A 50 10.746 -6.339 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.510 -4.477 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.204 -4.492 6.911 1.00 0.00 H new ATOM 0 HG LEU A 50 11.283 -6.321 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.563 -7.038 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.392 -7.436 6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.486 -6.047 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.225 -5.057 8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.134 -3.986 7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.806 -4.009 8.741 1.00 0.00 H new ATOM 712 N GLN A 51 9.145 -7.386 7.339 1.00 0.00 N ATOM 713 CA GLN A 51 8.873 -8.564 8.153 1.00 0.00 C ATOM 714 C GLN A 51 8.158 -9.636 7.336 1.00 0.00 C ATOM 715 O GLN A 51 8.243 -10.824 7.645 1.00 0.00 O ATOM 716 CB GLN A 51 8.028 -8.186 9.370 1.00 0.00 C ATOM 717 CG GLN A 51 8.640 -7.081 10.216 1.00 0.00 C ATOM 718 CD GLN A 51 9.236 -7.599 11.510 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.630 -7.485 12.576 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.430 -8.173 11.424 1.00 0.00 N ATOM 0 H GLN A 51 8.652 -6.544 7.637 1.00 0.00 H new ATOM 0 HA GLN A 51 9.827 -8.967 8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.041 -7.870 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.884 -9.070 9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.415 -6.575 9.640 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.876 -6.338 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.897 -8.246 10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.881 -8.541 12.262 1.00 0.00 H new ATOM 729 N GLN A 52 7.453 -9.207 6.294 1.00 0.00 N ATOM 730 CA GLN A 52 6.723 -10.131 5.434 1.00 0.00 C ATOM 731 C GLN A 52 7.679 -10.913 4.539 1.00 0.00 C ATOM 732 O GLN A 52 7.386 -12.038 4.133 1.00 0.00 O ATOM 733 CB GLN A 52 5.710 -9.370 4.577 1.00 0.00 C ATOM 734 CG GLN A 52 4.263 -9.698 4.910 1.00 0.00 C ATOM 735 CD GLN A 52 3.996 -11.189 4.944 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.701 -11.755 5.998 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.097 -11.836 3.789 1.00 0.00 N ATOM 0 H GLN A 52 7.372 -8.226 6.025 1.00 0.00 H new ATOM 0 HA GLN A 52 6.191 -10.838 6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.870 -8.299 4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.893 -9.596 3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.010 -9.265 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.610 -9.232 4.172 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.344 -11.328 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.928 -12.841 3.751 1.00 0.00 H new ATOM 746 N LEU A 53 8.822 -10.310 4.234 1.00 0.00 N ATOM 747 CA LEU A 53 9.822 -10.949 3.385 1.00 0.00 C ATOM 748 C LEU A 53 10.556 -12.050 4.145 1.00 0.00 C ATOM 749 O LEU A 53 10.627 -13.192 3.689 1.00 0.00 O ATOM 750 CB LEU A 53 10.823 -9.913 2.872 1.00 0.00 C ATOM 751 CG LEU A 53 10.526 -9.316 1.496 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.947 -10.374 0.570 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.574 -8.136 1.621 1.00 0.00 C ATOM 0 H LEU A 53 9.080 -9.379 4.562 1.00 0.00 H new ATOM 0 HA LEU A 53 9.308 -11.399 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.876 -9.099 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.810 -10.375 2.840 1.00 0.00 H new ATOM 0 HG LEU A 53 11.462 -8.958 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.742 -9.931 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.663 -11.188 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.021 -10.762 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.374 -7.724 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.639 -8.469 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.026 -7.369 2.249 1.00 0.00 H new ATOM 765 N LEU A 54 11.100 -11.699 5.305 1.00 0.00 N ATOM 766 CA LEU A 54 11.828 -12.658 6.129 1.00 0.00 C ATOM 767 C LEU A 54 10.866 -13.513 6.948 1.00 0.00 C ATOM 768 O LEU A 54 11.283 -14.423 7.664 1.00 0.00 O ATOM 769 CB LEU A 54 12.797 -11.927 7.060 1.00 0.00 C ATOM 770 CG LEU A 54 12.345 -11.773 8.513 1.00 0.00 C ATOM 771 CD1 LEU A 54 13.309 -10.881 9.280 1.00 0.00 C ATOM 772 CD2 LEU A 54 10.932 -11.211 8.575 1.00 0.00 C ATOM 0 H LEU A 54 11.051 -10.758 5.696 1.00 0.00 H new ATOM 0 HA LEU A 54 12.394 -13.313 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.749 -12.458 7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.983 -10.934 6.651 1.00 0.00 H new ATOM 0 HG LEU A 54 12.344 -12.758 8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.971 -10.783 10.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.305 -11.324 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 54 13.343 -9.896 8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.627 -11.108 9.616 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.907 -10.234 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.249 -11.887 8.062 1.00 0.00 H new ATOM 784 N ASP A 55 9.576 -13.215 6.835 1.00 0.00 N ATOM 785 CA ASP A 55 8.553 -13.958 7.562 1.00 0.00 C ATOM 786 C ASP A 55 8.785 -15.461 7.442 1.00 0.00 C ATOM 787 O ASP A 55 8.714 -16.025 6.351 1.00 0.00 O ATOM 788 CB ASP A 55 7.162 -13.601 7.037 1.00 0.00 C ATOM 789 CG ASP A 55 6.118 -14.635 7.411 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.062 -15.689 6.744 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.359 -14.390 8.371 1.00 0.00 O ATOM 0 H ASP A 55 9.214 -12.464 6.247 1.00 0.00 H new ATOM 0 HA ASP A 55 8.617 -13.681 8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.866 -12.630 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.200 -13.504 5.952 1.00 0.00 H new ATOM 796 N GLY A 56 9.064 -16.105 8.572 1.00 0.00 N ATOM 797 CA GLY A 56 9.303 -17.536 8.571 1.00 0.00 C ATOM 798 C GLY A 56 10.360 -17.948 9.576 1.00 0.00 C ATOM 799 O GLY A 56 10.525 -19.133 9.864 1.00 0.00 O ATOM 0 H GLY A 56 9.129 -15.661 9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.372 -18.057 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.613 -17.849 7.574 1.00 0.00 H new ATOM 803 N SER A 57 11.079 -16.966 10.112 1.00 0.00 N ATOM 804 CA SER A 57 12.130 -17.233 11.087 1.00 0.00 C ATOM 805 C SER A 57 11.835 -16.532 12.410 1.00 0.00 C ATOM 806 O SER A 57 12.018 -17.104 13.483 1.00 0.00 O ATOM 807 CB SER A 57 13.486 -16.776 10.546 1.00 0.00 C ATOM 808 OG SER A 57 13.390 -15.495 9.948 1.00 0.00 O ATOM 0 H SER A 57 10.953 -15.979 9.887 1.00 0.00 H new ATOM 0 HA SER A 57 12.162 -18.308 11.264 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.214 -16.749 11.357 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.851 -17.496 9.814 1.00 0.00 H new ATOM 0 HG SER A 57 14.270 -15.224 9.611 1.00 0.00 H new ATOM 814 N GLY A 58 11.376 -15.287 12.323 1.00 0.00 N ATOM 815 CA GLY A 58 11.062 -14.527 13.518 1.00 0.00 C ATOM 816 C GLY A 58 12.275 -13.819 14.090 1.00 0.00 C ATOM 817 O GLY A 58 13.083 -14.426 14.793 1.00 0.00 O ATOM 0 H GLY A 58 11.216 -14.792 11.446 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.292 -13.791 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.647 -15.196 14.272 1.00 0.00 H new ATOM 821 N LEU A 59 12.404 -12.532 13.786 1.00 0.00 N ATOM 822 CA LEU A 59 13.528 -11.740 14.274 1.00 0.00 C ATOM 823 C LEU A 59 13.073 -10.342 14.682 1.00 0.00 C ATOM 824 O LEU A 59 11.916 -9.973 14.482 1.00 0.00 O ATOM 825 CB LEU A 59 14.612 -11.642 13.199 1.00 0.00 C ATOM 826 CG LEU A 59 15.451 -12.901 12.975 1.00 0.00 C ATOM 827 CD1 LEU A 59 15.001 -13.625 11.716 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.929 -12.548 12.890 1.00 0.00 C ATOM 0 H LEU A 59 11.745 -12.015 13.204 1.00 0.00 H new ATOM 0 HA LEU A 59 13.939 -12.239 15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 14.137 -11.374 12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.283 -10.824 13.462 1.00 0.00 H new ATOM 0 HG LEU A 59 15.305 -13.568 13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.609 -14.518 11.573 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.954 -13.911 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.117 -12.965 10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.511 -13.456 12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.092 -11.862 12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.244 -12.074 13.820 1.00 0.00 H new ATOM 840 N GLN A 60 13.991 -9.570 15.253 1.00 0.00 N ATOM 841 CA GLN A 60 13.684 -8.213 15.688 1.00 0.00 C ATOM 842 C GLN A 60 14.355 -7.186 14.782 1.00 0.00 C ATOM 843 O GLN A 60 15.457 -7.411 14.281 1.00 0.00 O ATOM 844 CB GLN A 60 14.133 -8.004 17.135 1.00 0.00 C ATOM 845 CG GLN A 60 15.630 -7.783 17.282 1.00 0.00 C ATOM 846 CD GLN A 60 16.228 -8.580 18.424 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.346 -8.087 19.546 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.610 -9.821 18.144 1.00 0.00 N ATOM 0 H GLN A 60 14.953 -9.861 15.425 1.00 0.00 H new ATOM 0 HA GLN A 60 12.605 -8.075 15.627 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.605 -7.145 17.550 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.843 -8.873 17.726 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.127 -8.059 16.352 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.823 -6.722 17.444 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.494 -10.190 17.200 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.020 -10.405 18.873 1.00 0.00 H new ATOM 857 N VAL A 61 13.684 -6.058 14.575 1.00 0.00 N ATOM 858 CA VAL A 61 14.216 -4.995 13.729 1.00 0.00 C ATOM 859 C VAL A 61 14.229 -3.661 14.467 1.00 0.00 C ATOM 860 O VAL A 61 13.186 -3.161 14.888 1.00 0.00 O ATOM 861 CB VAL A 61 13.396 -4.845 12.434 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.177 -4.054 11.396 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.003 -6.211 11.891 1.00 0.00 C ATOM 0 H VAL A 61 12.771 -5.856 14.981 1.00 0.00 H new ATOM 0 HA VAL A 61 15.238 -5.275 13.473 1.00 0.00 H new ATOM 0 HB VAL A 61 12.484 -4.295 12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.582 -3.958 10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.403 -3.062 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.107 -4.574 11.167 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.424 -6.086 10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.902 -6.789 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.401 -6.738 12.632 1.00 0.00 H new ATOM 873 N LYS A 62 15.418 -3.088 14.619 1.00 0.00 N ATOM 874 CA LYS A 62 15.569 -1.810 15.305 1.00 0.00 C ATOM 875 C LYS A 62 16.461 -0.866 14.504 1.00 0.00 C ATOM 876 O LYS A 62 17.460 -1.272 13.910 1.00 0.00 O ATOM 877 CB LYS A 62 16.158 -2.023 16.701 1.00 0.00 C ATOM 878 CG LYS A 62 17.320 -3.001 16.729 1.00 0.00 C ATOM 879 CD LYS A 62 16.915 -4.331 17.340 1.00 0.00 C ATOM 880 CE LYS A 62 18.044 -4.935 18.161 1.00 0.00 C ATOM 881 NZ LYS A 62 18.113 -4.345 19.527 1.00 0.00 N ATOM 0 H LYS A 62 16.291 -3.488 14.276 1.00 0.00 H new ATOM 0 HA LYS A 62 14.582 -1.358 15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.492 -1.063 17.095 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.374 -2.385 17.366 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.686 -3.162 15.715 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.143 -2.573 17.301 1.00 0.00 H new ATOM 0 HD2 LYS A 62 16.039 -4.190 17.973 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.628 -5.024 16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.901 -6.013 18.238 1.00 0.00 H new ATOM 0 HE3 LYS A 62 18.992 -4.775 17.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 18.895 -4.783 20.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.275 -3.320 19.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.218 -4.520 20.026 1.00 0.00 H new ATOM 895 N PRO A 63 16.095 0.424 14.489 1.00 0.00 N ATOM 896 CA PRO A 63 16.850 1.453 13.767 1.00 0.00 C ATOM 897 C PRO A 63 18.200 1.742 14.414 1.00 0.00 C ATOM 898 O PRO A 63 18.422 1.420 15.582 1.00 0.00 O ATOM 899 CB PRO A 63 15.943 2.683 13.849 1.00 0.00 C ATOM 900 CG PRO A 63 15.120 2.465 15.072 1.00 0.00 C ATOM 901 CD PRO A 63 14.916 0.979 15.175 1.00 0.00 C ATOM 0 HA PRO A 63 17.083 1.147 12.747 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.526 3.601 13.923 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.317 2.773 12.961 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.626 2.852 15.957 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.165 2.986 14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.864 0.652 16.213 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.988 0.667 14.696 1.00 0.00 H new ATOM 909 N LEU A 64 19.099 2.352 13.649 1.00 0.00 N ATOM 910 CA LEU A 64 20.428 2.687 14.148 1.00 0.00 C ATOM 911 C LEU A 64 20.738 4.163 13.925 1.00 0.00 C ATOM 912 O LEU A 64 20.992 4.905 14.873 1.00 0.00 O ATOM 913 CB LEU A 64 21.485 1.821 13.460 1.00 0.00 C ATOM 914 CG LEU A 64 21.064 0.392 13.119 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.103 -0.272 12.228 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.851 -0.419 14.389 1.00 0.00 C ATOM 0 H LEU A 64 18.931 2.625 12.681 1.00 0.00 H new ATOM 0 HA LEU A 64 20.447 2.490 15.220 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.790 2.318 12.539 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.364 1.776 14.103 1.00 0.00 H new ATOM 0 HG LEU A 64 20.120 0.432 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.787 -1.289 11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.206 0.296 11.304 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.062 -0.300 12.746 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.552 -1.434 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.779 -0.451 14.960 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.070 0.046 14.991 1.00 0.00 H new ATOM 928 N GLY A 65 20.715 4.583 12.664 1.00 0.00 N ATOM 929 CA GLY A 65 20.994 5.970 12.338 1.00 0.00 C ATOM 930 C GLY A 65 20.037 6.526 11.302 1.00 0.00 C ATOM 931 O GLY A 65 18.848 6.691 11.571 1.00 0.00 O ATOM 0 H GLY A 65 20.508 3.988 11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.933 6.572 13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.015 6.054 11.967 1.00 0.00 H new ATOM 935 N ASN A 66 20.558 6.816 10.114 1.00 0.00 N ATOM 936 CA ASN A 66 19.742 7.359 9.034 1.00 0.00 C ATOM 937 C ASN A 66 18.762 6.313 8.514 1.00 0.00 C ATOM 938 O ASN A 66 19.046 5.608 7.546 1.00 0.00 O ATOM 939 CB ASN A 66 20.633 7.852 7.892 1.00 0.00 C ATOM 940 CG ASN A 66 20.046 9.054 7.178 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.627 10.139 7.186 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.888 8.865 6.556 1.00 0.00 N ATOM 0 H ASN A 66 21.541 6.684 9.875 1.00 0.00 H new ATOM 0 HA ASN A 66 19.172 8.199 9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.615 8.112 8.287 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.781 7.044 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.444 9.637 6.058 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.442 7.948 6.576 1.00 0.00 H new ATOM 949 N ASN A 67 17.606 6.218 9.163 1.00 0.00 N ATOM 950 CA ASN A 67 16.583 5.258 8.766 1.00 0.00 C ATOM 951 C ASN A 67 17.199 3.890 8.486 1.00 0.00 C ATOM 952 O ASN A 67 16.710 3.139 7.643 1.00 0.00 O ATOM 953 CB ASN A 67 15.838 5.757 7.526 1.00 0.00 C ATOM 954 CG ASN A 67 14.344 5.510 7.610 1.00 0.00 C ATOM 955 OD1 ASN A 67 13.548 6.449 7.631 1.00 0.00 O ATOM 956 ND2 ASN A 67 13.957 4.240 7.658 1.00 0.00 N ATOM 0 H ASN A 67 17.354 6.794 9.966 1.00 0.00 H new ATOM 0 HA ASN A 67 15.877 5.157 9.590 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.020 6.824 7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.236 5.260 6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.965 4.011 7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.652 3.494 7.638 1.00 0.00 H new ATOM 963 N SER A 68 18.275 3.575 9.200 1.00 0.00 N ATOM 964 CA SER A 68 18.960 2.300 9.027 1.00 0.00 C ATOM 965 C SER A 68 18.507 1.291 10.078 1.00 0.00 C ATOM 966 O SER A 68 18.732 1.481 11.273 1.00 0.00 O ATOM 967 CB SER A 68 20.475 2.495 9.112 1.00 0.00 C ATOM 968 OG SER A 68 21.163 1.305 8.770 1.00 0.00 O ATOM 0 H SER A 68 18.691 4.185 9.904 1.00 0.00 H new ATOM 0 HA SER A 68 18.705 1.911 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.779 3.300 8.443 1.00 0.00 H new ATOM 0 HB3 SER A 68 20.749 2.800 10.122 1.00 0.00 H new ATOM 0 HG SER A 68 22.129 1.457 8.831 1.00 0.00 H new ATOM 974 N TRP A 69 17.867 0.220 9.624 1.00 0.00 N ATOM 975 CA TRP A 69 17.381 -0.819 10.524 1.00 0.00 C ATOM 976 C TRP A 69 18.290 -2.042 10.486 1.00 0.00 C ATOM 977 O TRP A 69 18.965 -2.295 9.487 1.00 0.00 O ATOM 978 CB TRP A 69 15.952 -1.218 10.152 1.00 0.00 C ATOM 979 CG TRP A 69 14.995 -0.064 10.147 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.069 1.059 9.375 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.821 0.078 10.955 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.013 1.892 9.653 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.232 1.313 10.618 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.210 -0.717 11.927 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.063 1.768 11.222 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.049 -0.263 12.526 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.485 0.969 12.171 1.00 0.00 C ATOM 0 H TRP A 69 17.672 0.048 8.638 1.00 0.00 H new ATOM 0 HA TRP A 69 17.386 -0.418 11.537 1.00 0.00 H new ATOM 0 HB2 TRP A 69 15.957 -1.681 9.165 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.598 -1.971 10.856 1.00 0.00 H new ATOM 0 HD1 TRP A 69 15.844 1.263 8.651 1.00 0.00 H new ATOM 0 HE1 TRP A 69 13.839 2.795 9.212 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.636 -1.669 12.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.627 2.718 10.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.569 -0.869 13.280 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.576 1.295 12.656 1.00 0.00 H new ATOM 998 N THR A 70 18.304 -2.799 11.578 1.00 0.00 N ATOM 999 CA THR A 70 19.131 -3.996 11.669 1.00 0.00 C ATOM 1000 C THR A 70 18.310 -5.199 12.117 1.00 0.00 C ATOM 1001 O THR A 70 17.422 -5.078 12.962 1.00 0.00 O ATOM 1002 CB THR A 70 20.304 -3.795 12.647 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.192 -4.917 12.584 1.00 0.00 O ATOM 1004 CG2 THR A 70 19.797 -3.623 14.071 1.00 0.00 C ATOM 0 H THR A 70 17.751 -2.604 12.413 1.00 0.00 H new ATOM 0 HA THR A 70 19.528 -4.183 10.671 1.00 0.00 H new ATOM 0 HB THR A 70 20.840 -2.891 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.261 -5.228 11.657 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.643 -3.483 14.744 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.144 -2.752 14.122 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.240 -4.511 14.369 1.00 0.00 H new ATOM 1012 N LEU A 71 18.612 -6.361 11.548 1.00 0.00 N ATOM 1013 CA LEU A 71 17.902 -7.588 11.890 1.00 0.00 C ATOM 1014 C LEU A 71 18.743 -8.465 12.813 1.00 0.00 C ATOM 1015 O LEU A 71 19.879 -8.811 12.490 1.00 0.00 O ATOM 1016 CB LEU A 71 17.541 -8.363 10.621 1.00 0.00 C ATOM 1017 CG LEU A 71 16.081 -8.277 10.175 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.159 -8.812 11.259 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.716 -6.842 9.821 1.00 0.00 C ATOM 0 H LEU A 71 19.344 -6.479 10.848 1.00 0.00 H new ATOM 0 HA LEU A 71 16.986 -7.314 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.170 -8.002 9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.791 -9.412 10.776 1.00 0.00 H new ATOM 0 HG LEU A 71 15.956 -8.893 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.124 -8.743 10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.405 -9.854 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.286 -8.224 12.168 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.674 -6.799 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.858 -6.205 10.694 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.355 -6.494 9.010 1.00 0.00 H new ATOM 1031 N GLU A 72 18.176 -8.821 13.961 1.00 0.00 N ATOM 1032 CA GLU A 72 18.874 -9.658 14.930 1.00 0.00 C ATOM 1033 C GLU A 72 17.982 -10.802 15.404 1.00 0.00 C ATOM 1034 O GLU A 72 16.756 -10.752 15.294 1.00 0.00 O ATOM 1035 CB GLU A 72 19.329 -8.821 16.127 1.00 0.00 C ATOM 1036 CG GLU A 72 20.675 -8.146 15.923 1.00 0.00 C ATOM 1037 CD GLU A 72 21.834 -8.999 16.401 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.962 -9.193 17.628 1.00 0.00 O ATOM 1039 OE2 GLU A 72 22.613 -9.473 15.547 1.00 0.00 O ATOM 0 H GLU A 72 17.236 -8.543 14.243 1.00 0.00 H new ATOM 0 HA GLU A 72 19.750 -10.083 14.440 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.578 -8.059 16.333 1.00 0.00 H new ATOM 0 HB3 GLU A 72 19.383 -9.461 17.007 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.807 -7.920 14.865 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.685 -7.195 16.456 1.00 0.00 H new