USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 757 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 51 TYR OH : rot -42:sc= 1.18 USER MOD Set 1.2: A 55 GLN : amide:sc= -8.87! C(o=-7.7!,f=-8.1!) USER MOD Set 2.1: A 25 GLN : amide:sc= -3.65 K(o=-13,f=-17!) USER MOD Set 2.2: A 37 MET CE :methyl -158:sc= -9.4! (180deg=-14.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.0624 (180deg=-0.417) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.2!) USER MOD Single : A 24 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.031) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.177 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.611 K(o=0.61,f=0) USER MOD Single : A 48 TYR OH : rot 150:sc= -2.35 USER MOD Single : A 50 ASN : amide:sc= -0.965 K(o=-0.96,f=-6.1!) USER MOD Single : A 52 TYR OH : rot 130:sc= -2.04! USER MOD Single : A 54 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.4!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.802 K(o=0.8,f=-0.032) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00144 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc=-0.00458 (180deg=-0.105) USER MOD Single : A 85 TYR OH : rot 42:sc= -4.38! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -56:sc= 1.3 USER MOD Single : A 92 HIS : no HE2:sc= -6.26! C(o=-6.3!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 7.637 30.209 -2.032 1.00 0.00 N ATOM 2 CA LEU A 3 7.468 28.733 -1.966 1.00 0.00 C ATOM 3 C LEU A 3 7.857 28.197 -0.592 1.00 0.00 C ATOM 4 O LEU A 3 8.453 28.908 0.216 1.00 0.00 O ATOM 5 CB LEU A 3 8.337 28.096 -3.054 1.00 0.00 C ATOM 6 CG LEU A 3 7.567 27.306 -4.115 1.00 0.00 C ATOM 7 CD1 LEU A 3 8.441 27.058 -5.334 1.00 0.00 C ATOM 8 CD2 LEU A 3 7.064 25.991 -3.540 1.00 0.00 C ATOM 0 HA LEU A 3 6.420 28.481 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.907 28.882 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.058 27.431 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 3 6.705 27.896 -4.426 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.877 26.495 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.751 28.012 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.323 26.488 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.519 25.443 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.911 25.395 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.401 26.192 -2.698 1.00 0.00 H new ATOM 22 N LEU A 4 7.513 26.940 -0.333 1.00 0.00 N ATOM 23 CA LEU A 4 7.825 26.310 0.945 1.00 0.00 C ATOM 24 C LEU A 4 8.196 24.843 0.757 1.00 0.00 C ATOM 25 O LEU A 4 7.325 23.987 0.598 1.00 0.00 O ATOM 26 CB LEU A 4 6.632 26.426 1.897 1.00 0.00 C ATOM 27 CG LEU A 4 6.304 27.849 2.356 1.00 0.00 C ATOM 28 CD1 LEU A 4 4.825 28.148 2.161 1.00 0.00 C ATOM 29 CD2 LEU A 4 6.701 28.045 3.813 1.00 0.00 C ATOM 0 H LEU A 4 7.018 26.337 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 4 8.681 26.829 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.753 26.007 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.828 25.813 2.777 1.00 0.00 H new ATOM 0 HG LEU A 4 6.878 28.547 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.612 29.164 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.570 28.050 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.231 27.444 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.460 29.062 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.155 27.338 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.772 27.876 3.924 1.00 0.00 H new ATOM 41 N LYS A 5 9.495 24.557 0.785 1.00 0.00 N ATOM 42 CA LYS A 5 9.978 23.187 0.627 1.00 0.00 C ATOM 43 C LYS A 5 9.395 22.281 1.709 1.00 0.00 C ATOM 44 O LYS A 5 9.319 21.066 1.540 1.00 0.00 O ATOM 45 CB LYS A 5 11.508 23.145 0.689 1.00 0.00 C ATOM 46 CG LYS A 5 12.184 24.306 -0.025 1.00 0.00 C ATOM 47 CD LYS A 5 12.747 25.318 0.962 1.00 0.00 C ATOM 48 CE LYS A 5 13.903 24.735 1.759 1.00 0.00 C ATOM 49 NZ LYS A 5 15.205 24.899 1.055 1.00 0.00 N ATOM 0 H LYS A 5 10.230 25.252 0.915 1.00 0.00 H new ATOM 0 HA LYS A 5 9.652 22.826 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.820 23.142 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.854 22.209 0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.987 23.927 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.466 24.798 -0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.085 26.204 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.960 25.640 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.954 25.222 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.720 23.676 1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.966 24.488 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.167 24.413 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.393 25.911 0.904 1.00 0.00 H new ATOM 63 N ALA A 6 8.984 22.887 2.816 1.00 0.00 N ATOM 64 CA ALA A 6 8.405 22.140 3.925 1.00 0.00 C ATOM 65 C ALA A 6 7.107 21.461 3.506 1.00 0.00 C ATOM 66 O ALA A 6 6.897 20.278 3.775 1.00 0.00 O ATOM 67 CB ALA A 6 8.171 23.057 5.118 1.00 0.00 C ATOM 0 H ALA A 6 9.041 23.894 2.969 1.00 0.00 H new ATOM 0 HA ALA A 6 9.111 21.363 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.738 22.484 5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.120 23.488 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.487 23.857 4.834 1.00 0.00 H new ATOM 73 N ASN A 7 6.242 22.213 2.835 1.00 0.00 N ATOM 74 CA ASN A 7 4.971 21.676 2.371 1.00 0.00 C ATOM 75 C ASN A 7 5.202 20.560 1.359 1.00 0.00 C ATOM 76 O ASN A 7 4.684 19.452 1.509 1.00 0.00 O ATOM 77 CB ASN A 7 4.120 22.783 1.745 1.00 0.00 C ATOM 78 CG ASN A 7 3.649 23.798 2.770 1.00 0.00 C ATOM 79 OD1 ASN A 7 4.429 24.270 3.596 1.00 0.00 O ATOM 80 ND2 ASN A 7 2.367 24.137 2.720 1.00 0.00 N ATOM 0 H ASN A 7 6.398 23.194 2.601 1.00 0.00 H new ATOM 0 HA ASN A 7 4.438 21.266 3.229 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.699 23.291 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.255 22.339 1.253 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.992 24.815 3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.756 23.720 2.018 1.00 0.00 H new ATOM 87 N LYS A 8 5.985 20.859 0.327 1.00 0.00 N ATOM 88 CA LYS A 8 6.289 19.883 -0.710 1.00 0.00 C ATOM 89 C LYS A 8 7.042 18.690 -0.133 1.00 0.00 C ATOM 90 O LYS A 8 6.910 17.569 -0.621 1.00 0.00 O ATOM 91 CB LYS A 8 7.114 20.530 -1.823 1.00 0.00 C ATOM 92 CG LYS A 8 7.202 19.686 -3.084 1.00 0.00 C ATOM 93 CD LYS A 8 7.499 20.540 -4.308 1.00 0.00 C ATOM 94 CE LYS A 8 8.557 19.901 -5.192 1.00 0.00 C ATOM 95 NZ LYS A 8 9.895 20.526 -5.000 1.00 0.00 N ATOM 0 H LYS A 8 6.420 21.771 0.188 1.00 0.00 H new ATOM 0 HA LYS A 8 5.346 19.528 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.677 21.497 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.121 20.721 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.982 18.934 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.264 19.151 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.584 20.685 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.836 21.527 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.619 18.836 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.260 19.993 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.588 20.061 -5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.843 21.538 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.190 20.416 -4.009 1.00 0.00 H new ATOM 109 N ASP A 9 7.832 18.934 0.910 1.00 0.00 N ATOM 110 CA ASP A 9 8.596 17.868 1.542 1.00 0.00 C ATOM 111 C ASP A 9 7.663 16.890 2.238 1.00 0.00 C ATOM 112 O ASP A 9 7.857 15.676 2.171 1.00 0.00 O ATOM 113 CB ASP A 9 9.602 18.444 2.541 1.00 0.00 C ATOM 114 CG ASP A 9 10.439 17.369 3.207 1.00 0.00 C ATOM 115 OD1 ASP A 9 11.486 16.994 2.638 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.047 16.902 4.297 1.00 0.00 O ATOM 0 H ASP A 9 7.958 19.855 1.331 1.00 0.00 H new ATOM 0 HA ASP A 9 9.147 17.335 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.259 19.145 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.068 19.009 3.305 1.00 0.00 H new ATOM 121 N LEU A 10 6.635 17.421 2.888 1.00 0.00 N ATOM 122 CA LEU A 10 5.664 16.579 3.569 1.00 0.00 C ATOM 123 C LEU A 10 4.914 15.743 2.545 1.00 0.00 C ATOM 124 O LEU A 10 4.724 14.535 2.726 1.00 0.00 O ATOM 125 CB LEU A 10 4.679 17.420 4.378 1.00 0.00 C ATOM 126 CG LEU A 10 3.784 16.626 5.331 1.00 0.00 C ATOM 127 CD1 LEU A 10 4.382 16.603 6.729 1.00 0.00 C ATOM 128 CD2 LEU A 10 2.382 17.214 5.357 1.00 0.00 C ATOM 0 H LEU A 10 6.454 18.422 2.957 1.00 0.00 H new ATOM 0 HA LEU A 10 6.196 15.925 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.240 18.154 4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.046 17.976 3.687 1.00 0.00 H new ATOM 0 HG LEU A 10 3.719 15.600 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.732 16.034 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.366 16.136 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.477 17.623 7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.758 16.637 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.428 18.249 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.953 17.177 4.355 1.00 0.00 H new ATOM 140 N ILE A 11 4.509 16.383 1.450 1.00 0.00 N ATOM 141 CA ILE A 11 3.805 15.677 0.396 1.00 0.00 C ATOM 142 C ILE A 11 4.706 14.596 -0.180 1.00 0.00 C ATOM 143 O ILE A 11 4.332 13.425 -0.220 1.00 0.00 O ATOM 144 CB ILE A 11 3.360 16.632 -0.730 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.549 17.794 -0.152 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.546 15.879 -1.773 1.00 0.00 C ATOM 147 CD1 ILE A 11 2.619 19.053 -0.988 1.00 0.00 C ATOM 0 H ILE A 11 4.656 17.377 1.276 1.00 0.00 H new ATOM 0 HA ILE A 11 2.911 15.229 0.829 1.00 0.00 H new ATOM 0 HB ILE A 11 4.248 17.038 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.507 17.488 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.909 18.014 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.239 16.567 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.153 15.082 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.662 15.448 -1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.021 19.835 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.655 19.383 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.231 18.849 -1.986 1.00 0.00 H new ATOM 159 N SER A 12 5.906 14.985 -0.619 1.00 0.00 N ATOM 160 CA SER A 12 6.850 14.029 -1.175 1.00 0.00 C ATOM 161 C SER A 12 7.112 12.909 -0.179 1.00 0.00 C ATOM 162 O SER A 12 7.231 11.750 -0.553 1.00 0.00 O ATOM 163 CB SER A 12 8.163 14.726 -1.535 1.00 0.00 C ATOM 164 OG SER A 12 9.033 13.848 -2.228 1.00 0.00 O ATOM 0 H SER A 12 6.239 15.949 -0.598 1.00 0.00 H new ATOM 0 HA SER A 12 6.419 13.603 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.957 15.601 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.649 15.084 -0.627 1.00 0.00 H new ATOM 0 HG SER A 12 9.864 14.318 -2.448 1.00 0.00 H new ATOM 170 N ALA A 13 7.214 13.275 1.093 1.00 0.00 N ATOM 171 CA ALA A 13 7.482 12.294 2.139 1.00 0.00 C ATOM 172 C ALA A 13 6.404 11.222 2.143 1.00 0.00 C ATOM 173 O ALA A 13 6.703 10.034 2.261 1.00 0.00 O ATOM 174 CB ALA A 13 7.588 12.968 3.499 1.00 0.00 C ATOM 0 H ALA A 13 7.116 14.235 1.424 1.00 0.00 H new ATOM 0 HA ALA A 13 8.439 11.817 1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.788 12.217 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.401 13.694 3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.651 13.477 3.727 1.00 0.00 H new ATOM 180 N GLY A 14 5.161 11.635 1.946 1.00 0.00 N ATOM 181 CA GLY A 14 4.083 10.667 1.860 1.00 0.00 C ATOM 182 C GLY A 14 4.195 9.889 0.563 1.00 0.00 C ATOM 183 O GLY A 14 3.821 8.721 0.474 1.00 0.00 O ATOM 0 H GLY A 14 4.880 12.610 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.126 9.985 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.120 11.176 1.908 1.00 0.00 H new ATOM 187 N LEU A 15 4.727 10.579 -0.439 1.00 0.00 N ATOM 188 CA LEU A 15 4.922 10.000 -1.759 1.00 0.00 C ATOM 189 C LEU A 15 5.934 8.866 -1.702 1.00 0.00 C ATOM 190 O LEU A 15 5.606 7.721 -2.006 1.00 0.00 O ATOM 191 CB LEU A 15 5.360 11.065 -2.760 1.00 0.00 C ATOM 192 CG LEU A 15 4.278 11.514 -3.744 1.00 0.00 C ATOM 193 CD1 LEU A 15 3.840 10.353 -4.624 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.088 12.097 -2.996 1.00 0.00 C ATOM 0 H LEU A 15 5.033 11.549 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 15 3.969 9.592 -2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.712 11.937 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.209 10.682 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 15 4.696 12.290 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.070 10.692 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.696 9.980 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.440 9.554 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.328 12.411 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.670 11.341 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.412 12.957 -2.410 1.00 0.00 H new ATOM 206 N LYS A 16 7.160 9.178 -1.304 1.00 0.00 N ATOM 207 CA LYS A 16 8.198 8.160 -1.204 1.00 0.00 C ATOM 208 C LYS A 16 7.791 7.122 -0.176 1.00 0.00 C ATOM 209 O LYS A 16 8.039 5.930 -0.341 1.00 0.00 O ATOM 210 CB LYS A 16 9.541 8.781 -0.813 1.00 0.00 C ATOM 211 CG LYS A 16 9.784 10.151 -1.418 1.00 0.00 C ATOM 212 CD LYS A 16 11.243 10.555 -1.306 1.00 0.00 C ATOM 213 CE LYS A 16 11.665 11.452 -2.459 1.00 0.00 C ATOM 214 NZ LYS A 16 11.649 10.728 -3.763 1.00 0.00 N ATOM 0 H LYS A 16 7.459 10.119 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 16 8.314 7.687 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.591 8.860 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.344 8.111 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.486 10.146 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.161 10.889 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.406 11.074 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.868 9.662 -1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.997 12.312 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.667 11.838 -2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.297 11.196 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.953 9.744 -3.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.685 10.738 -4.154 1.00 0.00 H new ATOM 228 N GLU A 17 7.144 7.590 0.881 1.00 0.00 N ATOM 229 CA GLU A 17 6.675 6.704 1.934 1.00 0.00 C ATOM 230 C GLU A 17 5.704 5.681 1.359 1.00 0.00 C ATOM 231 O GLU A 17 5.846 4.479 1.580 1.00 0.00 O ATOM 232 CB GLU A 17 6.001 7.504 3.052 1.00 0.00 C ATOM 233 CG GLU A 17 5.424 6.637 4.160 1.00 0.00 C ATOM 234 CD GLU A 17 6.440 5.667 4.732 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.475 6.131 5.255 1.00 0.00 O ATOM 236 OE2 GLU A 17 6.201 4.444 4.658 1.00 0.00 O ATOM 0 H GLU A 17 6.932 8.576 1.032 1.00 0.00 H new ATOM 0 HA GLU A 17 7.533 6.181 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.727 8.193 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.203 8.110 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.049 7.277 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.572 6.078 3.772 1.00 0.00 H new ATOM 243 N PHE A 18 4.713 6.170 0.621 1.00 0.00 N ATOM 244 CA PHE A 18 3.713 5.300 0.016 1.00 0.00 C ATOM 245 C PHE A 18 4.331 4.424 -1.067 1.00 0.00 C ATOM 246 O PHE A 18 4.145 3.212 -1.071 1.00 0.00 O ATOM 247 CB PHE A 18 2.570 6.129 -0.572 1.00 0.00 C ATOM 248 CG PHE A 18 1.252 5.400 -0.642 1.00 0.00 C ATOM 249 CD1 PHE A 18 0.886 4.482 0.334 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.377 5.638 -1.691 1.00 0.00 C ATOM 251 CE1 PHE A 18 -0.326 3.821 0.264 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.836 4.978 -1.765 1.00 0.00 C ATOM 253 CZ PHE A 18 -1.188 4.069 -0.787 1.00 0.00 C ATOM 0 H PHE A 18 4.582 7.163 0.428 1.00 0.00 H new ATOM 0 HA PHE A 18 3.317 4.651 0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.443 7.030 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.848 6.451 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.556 4.282 1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.646 6.347 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.599 3.111 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.508 5.174 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.135 3.553 -0.843 1.00 0.00 H new ATOM 263 N SER A 19 5.064 5.041 -1.988 1.00 0.00 N ATOM 264 CA SER A 19 5.699 4.301 -3.075 1.00 0.00 C ATOM 265 C SER A 19 6.632 3.222 -2.533 1.00 0.00 C ATOM 266 O SER A 19 6.538 2.053 -2.916 1.00 0.00 O ATOM 267 CB SER A 19 6.479 5.255 -3.981 1.00 0.00 C ATOM 268 OG SER A 19 6.587 4.736 -5.295 1.00 0.00 O ATOM 0 H SER A 19 5.233 6.047 -2.005 1.00 0.00 H new ATOM 0 HA SER A 19 4.914 3.817 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.981 6.224 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.474 5.421 -3.569 1.00 0.00 H new ATOM 0 HG SER A 19 7.088 5.365 -5.855 1.00 0.00 H new ATOM 274 N VAL A 20 7.527 3.618 -1.636 1.00 0.00 N ATOM 275 CA VAL A 20 8.474 2.686 -1.040 1.00 0.00 C ATOM 276 C VAL A 20 7.748 1.640 -0.201 1.00 0.00 C ATOM 277 O VAL A 20 8.185 0.493 -0.109 1.00 0.00 O ATOM 278 CB VAL A 20 9.511 3.416 -0.162 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.499 2.428 0.447 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.241 4.476 -0.974 1.00 0.00 C ATOM 0 H VAL A 20 7.616 4.579 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 20 8.998 2.193 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 20 8.982 3.909 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.220 2.967 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.961 1.709 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.024 1.900 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.969 4.982 -0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.755 4.003 -1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.523 5.203 -1.353 1.00 0.00 H new ATOM 290 N LEU A 21 6.637 2.041 0.408 1.00 0.00 N ATOM 291 CA LEU A 21 5.853 1.130 1.233 1.00 0.00 C ATOM 292 C LEU A 21 5.162 0.090 0.355 1.00 0.00 C ATOM 293 O LEU A 21 5.169 -1.097 0.661 1.00 0.00 O ATOM 294 CB LEU A 21 4.822 1.933 2.044 1.00 0.00 C ATOM 295 CG LEU A 21 3.610 1.145 2.568 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.686 0.980 4.078 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.313 1.839 2.174 1.00 0.00 C ATOM 0 H LEU A 21 6.261 2.987 0.346 1.00 0.00 H new ATOM 0 HA LEU A 21 6.512 0.605 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.332 2.384 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.457 2.750 1.421 1.00 0.00 H new ATOM 0 HG LEU A 21 3.626 0.154 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.819 0.420 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.596 0.440 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.698 1.962 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.465 1.268 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.294 2.843 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.250 1.904 1.088 1.00 0.00 H new ATOM 309 N LEU A 22 4.551 0.551 -0.725 1.00 0.00 N ATOM 310 CA LEU A 22 3.843 -0.338 -1.637 1.00 0.00 C ATOM 311 C LEU A 22 4.788 -1.357 -2.269 1.00 0.00 C ATOM 312 O LEU A 22 4.417 -2.513 -2.473 1.00 0.00 O ATOM 313 CB LEU A 22 3.128 0.468 -2.728 1.00 0.00 C ATOM 314 CG LEU A 22 2.016 1.405 -2.236 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.111 1.808 -3.388 1.00 0.00 C ATOM 316 CD2 LEU A 22 1.204 0.752 -1.125 1.00 0.00 C ATOM 0 H LEU A 22 4.530 1.535 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 22 3.100 -0.883 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.870 1.062 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.700 -0.229 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 22 2.485 2.302 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.329 2.472 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.698 2.324 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.657 0.918 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.423 1.437 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.748 -0.165 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.859 0.516 -0.286 1.00 0.00 H new ATOM 328 N ASN A 23 6.007 -0.928 -2.583 1.00 0.00 N ATOM 329 CA ASN A 23 6.989 -1.817 -3.199 1.00 0.00 C ATOM 330 C ASN A 23 7.709 -2.673 -2.153 1.00 0.00 C ATOM 331 O ASN A 23 7.996 -3.847 -2.390 1.00 0.00 O ATOM 332 CB ASN A 23 7.999 -1.003 -4.027 1.00 0.00 C ATOM 333 CG ASN A 23 9.321 -0.773 -3.313 1.00 0.00 C ATOM 334 OD1 ASN A 23 9.580 0.312 -2.796 1.00 0.00 O ATOM 335 ND2 ASN A 23 10.165 -1.798 -3.286 1.00 0.00 N ATOM 0 H ASN A 23 6.338 0.023 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 23 6.456 -2.496 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.188 -1.521 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.558 -0.038 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.069 -1.702 -2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.909 -2.681 -3.728 1.00 0.00 H new ATOM 342 N GLN A 24 8.011 -2.075 -1.007 1.00 0.00 N ATOM 343 CA GLN A 24 8.713 -2.775 0.067 1.00 0.00 C ATOM 344 C GLN A 24 7.780 -3.110 1.230 1.00 0.00 C ATOM 345 O GLN A 24 8.237 -3.297 2.354 1.00 0.00 O ATOM 346 CB GLN A 24 9.878 -1.921 0.570 1.00 0.00 C ATOM 347 CG GLN A 24 11.105 -2.731 0.958 1.00 0.00 C ATOM 348 CD GLN A 24 11.898 -2.088 2.079 1.00 0.00 C ATOM 349 OE1 GLN A 24 13.101 -1.857 1.951 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.227 -1.796 3.187 1.00 0.00 N ATOM 0 H GLN A 24 7.781 -1.104 -0.795 1.00 0.00 H new ATOM 0 HA GLN A 24 9.090 -3.713 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.155 -1.207 -0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.547 -1.343 1.433 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.794 -3.730 1.264 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.748 -2.851 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.231 -2.005 3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.708 -1.363 3.975 1.00 0.00 H new ATOM 359 N GLN A 25 6.477 -3.143 0.949 1.00 0.00 N ATOM 360 CA GLN A 25 5.443 -3.416 1.961 1.00 0.00 C ATOM 361 C GLN A 25 5.772 -4.615 2.864 1.00 0.00 C ATOM 362 O GLN A 25 5.029 -5.595 2.892 1.00 0.00 O ATOM 363 CB GLN A 25 4.092 -3.636 1.270 1.00 0.00 C ATOM 364 CG GLN A 25 2.997 -2.703 1.763 1.00 0.00 C ATOM 365 CD GLN A 25 2.275 -3.238 2.983 1.00 0.00 C ATOM 366 OE1 GLN A 25 1.060 -3.430 2.964 1.00 0.00 O ATOM 367 NE2 GLN A 25 3.022 -3.481 4.054 1.00 0.00 N ATOM 0 H GLN A 25 6.103 -2.982 0.014 1.00 0.00 H new ATOM 0 HA GLN A 25 5.401 -2.543 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.217 -3.501 0.196 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.777 -4.668 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.433 -1.733 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.276 -2.541 0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.027 -3.307 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.591 -3.842 4.905 1.00 0.00 H new ATOM 376 N VAL A 26 6.886 -4.518 3.596 1.00 0.00 N ATOM 377 CA VAL A 26 7.346 -5.570 4.513 1.00 0.00 C ATOM 378 C VAL A 26 6.888 -6.964 4.082 1.00 0.00 C ATOM 379 O VAL A 26 5.735 -7.343 4.288 1.00 0.00 O ATOM 380 CB VAL A 26 6.874 -5.304 5.958 1.00 0.00 C ATOM 381 CG1 VAL A 26 5.352 -5.298 6.046 1.00 0.00 C ATOM 382 CG2 VAL A 26 7.466 -6.331 6.911 1.00 0.00 C ATOM 0 H VAL A 26 7.499 -3.703 3.570 1.00 0.00 H new ATOM 0 HA VAL A 26 8.435 -5.542 4.477 1.00 0.00 H new ATOM 0 HB VAL A 26 7.229 -4.317 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.048 -5.108 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.953 -4.516 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.965 -6.265 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.122 -6.127 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.147 -7.330 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.554 -6.273 6.878 1.00 0.00 H new ATOM 392 N PHE A 27 7.801 -7.730 3.493 1.00 0.00 N ATOM 393 CA PHE A 27 7.481 -9.079 3.044 1.00 0.00 C ATOM 394 C PHE A 27 8.142 -10.124 3.929 1.00 0.00 C ATOM 395 O PHE A 27 9.305 -10.481 3.744 1.00 0.00 O ATOM 396 CB PHE A 27 7.904 -9.262 1.584 1.00 0.00 C ATOM 397 CG PHE A 27 7.041 -8.517 0.591 1.00 0.00 C ATOM 398 CD1 PHE A 27 5.931 -7.791 1.007 1.00 0.00 C ATOM 399 CD2 PHE A 27 7.342 -8.544 -0.763 1.00 0.00 C ATOM 400 CE1 PHE A 27 5.145 -7.111 0.095 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.559 -7.865 -1.678 1.00 0.00 C ATOM 402 CZ PHE A 27 5.460 -7.149 -1.248 1.00 0.00 C ATOM 0 H PHE A 27 8.763 -7.441 3.317 1.00 0.00 H new ATOM 0 HA PHE A 27 6.402 -9.217 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.936 -8.930 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.883 -10.325 1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.679 -7.758 2.057 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.200 -9.103 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.286 -6.551 0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.807 -7.895 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.847 -6.619 -1.962 1.00 0.00 H new ATOM 412 N ASN A 28 7.371 -10.603 4.894 1.00 0.00 N ATOM 413 CA ASN A 28 7.842 -11.608 5.833 1.00 0.00 C ATOM 414 C ASN A 28 6.781 -12.674 6.060 1.00 0.00 C ATOM 415 O ASN A 28 5.584 -12.398 5.999 1.00 0.00 O ATOM 416 CB ASN A 28 8.213 -10.956 7.165 1.00 0.00 C ATOM 417 CG ASN A 28 9.554 -10.251 7.111 1.00 0.00 C ATOM 418 OD1 ASN A 28 10.561 -10.835 6.710 1.00 0.00 O ATOM 419 ND2 ASN A 28 9.573 -8.985 7.514 1.00 0.00 N ATOM 0 H ASN A 28 6.407 -10.308 5.047 1.00 0.00 H new ATOM 0 HA ASN A 28 8.727 -12.082 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.440 -10.240 7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.237 -11.717 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.446 -8.458 7.499 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.714 -8.540 7.839 1.00 0.00 H new ATOM 426 N ASP A 29 7.232 -13.890 6.331 1.00 0.00 N ATOM 427 CA ASP A 29 6.330 -15.008 6.581 1.00 0.00 C ATOM 428 C ASP A 29 6.117 -15.197 8.087 1.00 0.00 C ATOM 429 O ASP A 29 7.073 -15.125 8.860 1.00 0.00 O ATOM 430 CB ASP A 29 6.896 -16.291 5.969 1.00 0.00 C ATOM 431 CG ASP A 29 8.348 -16.517 6.338 1.00 0.00 C ATOM 432 OD1 ASP A 29 9.221 -15.834 5.764 1.00 0.00 O ATOM 433 OD2 ASP A 29 8.613 -17.378 7.204 1.00 0.00 O ATOM 0 H ASP A 29 8.222 -14.130 6.384 1.00 0.00 H new ATOM 0 HA ASP A 29 5.369 -14.787 6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.303 -17.142 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.803 -16.244 4.884 1.00 0.00 H new ATOM 438 N PRO A 30 4.867 -15.438 8.536 1.00 0.00 N ATOM 439 CA PRO A 30 3.688 -15.533 7.663 1.00 0.00 C ATOM 440 C PRO A 30 3.387 -14.222 6.949 1.00 0.00 C ATOM 441 O PRO A 30 3.780 -13.148 7.405 1.00 0.00 O ATOM 442 CB PRO A 30 2.549 -15.891 8.624 1.00 0.00 C ATOM 443 CG PRO A 30 3.025 -15.449 9.964 1.00 0.00 C ATOM 444 CD PRO A 30 4.515 -15.639 9.952 1.00 0.00 C ATOM 0 HA PRO A 30 3.835 -16.264 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.624 -15.385 8.347 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.343 -16.961 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.765 -14.406 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.562 -16.037 10.757 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.018 -14.920 10.598 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.797 -16.633 10.300 1.00 0.00 H new ATOM 452 N LEU A 31 2.687 -14.321 5.827 1.00 0.00 N ATOM 453 CA LEU A 31 2.333 -13.149 5.041 1.00 0.00 C ATOM 454 C LEU A 31 0.885 -12.746 5.269 1.00 0.00 C ATOM 455 O LEU A 31 0.014 -13.594 5.468 1.00 0.00 O ATOM 456 CB LEU A 31 2.546 -13.426 3.551 1.00 0.00 C ATOM 457 CG LEU A 31 3.872 -12.937 2.973 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.862 -13.066 1.459 1.00 0.00 C ATOM 459 CD2 LEU A 31 4.146 -11.494 3.382 1.00 0.00 C ATOM 0 H LEU A 31 2.353 -15.204 5.441 1.00 0.00 H new ATOM 0 HA LEU A 31 2.979 -12.332 5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.472 -14.501 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.733 -12.961 2.993 1.00 0.00 H new ATOM 0 HG LEU A 31 4.671 -13.559 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.812 -12.714 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.716 -14.111 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.050 -12.466 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.096 -11.170 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.346 -10.853 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.192 -11.426 4.469 1.00 0.00 H new ATOM 471 N VAL A 32 0.630 -11.446 5.205 1.00 0.00 N ATOM 472 CA VAL A 32 -0.717 -10.931 5.368 1.00 0.00 C ATOM 473 C VAL A 32 -1.504 -11.170 4.086 1.00 0.00 C ATOM 474 O VAL A 32 -0.926 -11.209 3.000 1.00 0.00 O ATOM 475 CB VAL A 32 -0.705 -9.425 5.696 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.005 -8.642 4.602 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.119 -8.906 5.897 1.00 0.00 C ATOM 0 H VAL A 32 1.340 -10.732 5.041 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.188 -11.454 6.201 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.156 -9.284 6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.002 -7.581 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.034 -8.991 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.511 -8.792 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.086 -7.841 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.697 -9.063 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.589 -9.441 6.722 1.00 0.00 H new ATOM 487 N SER A 33 -2.808 -11.378 4.206 1.00 0.00 N ATOM 488 CA SER A 33 -3.628 -11.665 3.037 1.00 0.00 C ATOM 489 C SER A 33 -3.961 -10.397 2.263 1.00 0.00 C ATOM 490 O SER A 33 -3.705 -9.284 2.723 1.00 0.00 O ATOM 491 CB SER A 33 -4.918 -12.371 3.460 1.00 0.00 C ATOM 492 OG SER A 33 -4.658 -13.700 3.877 1.00 0.00 O ATOM 0 H SER A 33 -3.316 -11.354 5.090 1.00 0.00 H new ATOM 0 HA SER A 33 -3.054 -12.319 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.390 -11.817 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.622 -12.379 2.628 1.00 0.00 H new ATOM 0 HG SER A 33 -5.498 -14.129 4.144 1.00 0.00 H new ATOM 498 N GLU A 34 -4.521 -10.584 1.073 1.00 0.00 N ATOM 499 CA GLU A 34 -4.880 -9.470 0.207 1.00 0.00 C ATOM 500 C GLU A 34 -6.021 -8.655 0.808 1.00 0.00 C ATOM 501 O GLU A 34 -6.050 -7.432 0.688 1.00 0.00 O ATOM 502 CB GLU A 34 -5.254 -9.985 -1.185 1.00 0.00 C ATOM 503 CG GLU A 34 -4.434 -9.361 -2.301 1.00 0.00 C ATOM 504 CD GLU A 34 -5.204 -9.257 -3.603 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.914 -10.226 -3.951 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.098 -8.210 -4.274 1.00 0.00 O ATOM 0 H GLU A 34 -4.737 -11.503 0.686 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.016 -8.812 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.124 -11.067 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.310 -9.786 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.109 -8.367 -1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.535 -9.955 -2.462 1.00 0.00 H new ATOM 513 N GLU A 35 -6.956 -9.337 1.459 1.00 0.00 N ATOM 514 CA GLU A 35 -8.090 -8.663 2.084 1.00 0.00 C ATOM 515 C GLU A 35 -7.614 -7.775 3.229 1.00 0.00 C ATOM 516 O GLU A 35 -8.130 -6.674 3.440 1.00 0.00 O ATOM 517 CB GLU A 35 -9.105 -9.687 2.598 1.00 0.00 C ATOM 518 CG GLU A 35 -8.480 -10.807 3.414 1.00 0.00 C ATOM 519 CD GLU A 35 -8.740 -12.179 2.823 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.095 -12.521 1.811 1.00 0.00 O ATOM 521 OE2 GLU A 35 -9.589 -12.911 3.374 1.00 0.00 O ATOM 0 H GLU A 35 -6.953 -10.351 1.568 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.575 -8.038 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.848 -9.174 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.634 -10.119 1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.404 -10.644 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.873 -10.773 4.430 1.00 0.00 H new ATOM 528 N ASP A 36 -6.600 -8.249 3.944 1.00 0.00 N ATOM 529 CA ASP A 36 -6.025 -7.493 5.044 1.00 0.00 C ATOM 530 C ASP A 36 -5.190 -6.352 4.488 1.00 0.00 C ATOM 531 O ASP A 36 -5.185 -5.245 5.026 1.00 0.00 O ATOM 532 CB ASP A 36 -5.168 -8.395 5.933 1.00 0.00 C ATOM 533 CG ASP A 36 -5.929 -8.907 7.141 1.00 0.00 C ATOM 534 OD1 ASP A 36 -6.589 -9.961 7.025 1.00 0.00 O ATOM 535 OD2 ASP A 36 -5.864 -8.253 8.204 1.00 0.00 O ATOM 0 H ASP A 36 -6.161 -9.155 3.779 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.831 -7.088 5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.808 -9.241 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.290 -7.843 6.267 1.00 0.00 H new ATOM 540 N MET A 37 -4.500 -6.629 3.384 1.00 0.00 N ATOM 541 CA MET A 37 -3.679 -5.627 2.726 1.00 0.00 C ATOM 542 C MET A 37 -4.561 -4.503 2.204 1.00 0.00 C ATOM 543 O MET A 37 -4.279 -3.325 2.422 1.00 0.00 O ATOM 544 CB MET A 37 -2.888 -6.252 1.576 1.00 0.00 C ATOM 545 CG MET A 37 -1.614 -5.498 1.234 1.00 0.00 C ATOM 546 SD MET A 37 -0.231 -5.959 2.294 1.00 0.00 S ATOM 547 CE MET A 37 1.136 -5.818 1.147 1.00 0.00 C ATOM 0 H MET A 37 -4.496 -7.542 2.929 1.00 0.00 H new ATOM 0 HA MET A 37 -2.972 -5.222 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.633 -7.279 1.837 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.523 -6.296 0.691 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.350 -5.691 0.194 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.795 -4.427 1.324 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.972 -6.421 1.502 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.824 -6.172 0.164 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.445 -4.775 1.076 1.00 0.00 H new ATOM 557 N VAL A 38 -5.649 -4.878 1.531 1.00 0.00 N ATOM 558 CA VAL A 38 -6.589 -3.904 0.997 1.00 0.00 C ATOM 559 C VAL A 38 -7.116 -3.031 2.118 1.00 0.00 C ATOM 560 O VAL A 38 -7.170 -1.806 1.995 1.00 0.00 O ATOM 561 CB VAL A 38 -7.772 -4.579 0.274 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.722 -3.535 -0.296 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.267 -5.507 -0.824 1.00 0.00 C ATOM 0 H VAL A 38 -5.897 -5.850 1.345 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.053 -3.297 0.268 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.323 -5.176 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.549 -4.033 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.111 -2.917 0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.187 -2.907 -1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.115 -5.975 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.690 -4.933 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.634 -6.278 -0.386 1.00 0.00 H new ATOM 573 N THR A 39 -7.487 -3.665 3.222 1.00 0.00 N ATOM 574 CA THR A 39 -7.985 -2.941 4.375 1.00 0.00 C ATOM 575 C THR A 39 -6.938 -1.934 4.846 1.00 0.00 C ATOM 576 O THR A 39 -7.244 -0.764 5.077 1.00 0.00 O ATOM 577 CB THR A 39 -8.329 -3.930 5.492 1.00 0.00 C ATOM 578 OG1 THR A 39 -9.549 -4.594 5.215 1.00 0.00 O ATOM 579 CG2 THR A 39 -8.457 -3.288 6.852 1.00 0.00 C ATOM 0 H THR A 39 -7.451 -4.678 3.340 1.00 0.00 H new ATOM 0 HA THR A 39 -8.888 -2.395 4.103 1.00 0.00 H new ATOM 0 HB THR A 39 -7.493 -4.628 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.377 -5.366 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.702 -4.050 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.514 -2.812 7.120 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.248 -2.538 6.828 1.00 0.00 H new ATOM 587 N VAL A 40 -5.699 -2.401 4.973 1.00 0.00 N ATOM 588 CA VAL A 40 -4.600 -1.544 5.402 1.00 0.00 C ATOM 589 C VAL A 40 -4.447 -0.350 4.466 1.00 0.00 C ATOM 590 O VAL A 40 -4.203 0.770 4.911 1.00 0.00 O ATOM 591 CB VAL A 40 -3.267 -2.318 5.459 1.00 0.00 C ATOM 592 CG1 VAL A 40 -2.159 -1.437 6.018 1.00 0.00 C ATOM 593 CG2 VAL A 40 -3.420 -3.587 6.287 1.00 0.00 C ATOM 0 H VAL A 40 -5.432 -3.367 4.785 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.843 -1.191 6.404 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.992 -2.605 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.227 -2.001 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.032 -0.563 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.423 -1.115 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.469 -4.120 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.720 -3.325 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.180 -4.226 5.837 1.00 0.00 H new ATOM 603 N VAL A 41 -4.600 -0.595 3.166 1.00 0.00 N ATOM 604 CA VAL A 41 -4.487 0.469 2.176 1.00 0.00 C ATOM 605 C VAL A 41 -5.575 1.515 2.389 1.00 0.00 C ATOM 606 O VAL A 41 -5.301 2.714 2.414 1.00 0.00 O ATOM 607 CB VAL A 41 -4.584 -0.074 0.736 1.00 0.00 C ATOM 608 CG1 VAL A 41 -4.111 0.971 -0.263 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.781 -1.359 0.590 1.00 0.00 C ATOM 0 H VAL A 41 -4.801 -1.516 2.777 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.505 0.924 2.308 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.629 -0.300 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.187 0.569 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.733 1.862 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.074 1.232 -0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.863 -1.725 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.734 -1.162 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.170 -2.111 1.277 1.00 0.00 H new ATOM 619 N GLU A 42 -6.811 1.050 2.547 1.00 0.00 N ATOM 620 CA GLU A 42 -7.945 1.943 2.765 1.00 0.00 C ATOM 621 C GLU A 42 -7.689 2.861 3.960 1.00 0.00 C ATOM 622 O GLU A 42 -7.921 4.071 3.895 1.00 0.00 O ATOM 623 CB GLU A 42 -9.224 1.129 2.982 1.00 0.00 C ATOM 624 CG GLU A 42 -10.343 1.493 2.019 1.00 0.00 C ATOM 625 CD GLU A 42 -11.704 1.509 2.685 1.00 0.00 C ATOM 626 OE1 GLU A 42 -12.016 2.503 3.375 1.00 0.00 O ATOM 627 OE2 GLU A 42 -12.459 0.528 2.517 1.00 0.00 O ATOM 0 H GLU A 42 -7.053 0.059 2.528 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.070 2.565 1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.994 0.069 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.572 1.278 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.142 2.474 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.354 0.780 1.195 1.00 0.00 H new ATOM 634 N ASP A 43 -7.199 2.277 5.047 1.00 0.00 N ATOM 635 CA ASP A 43 -6.903 3.039 6.252 1.00 0.00 C ATOM 636 C ASP A 43 -5.666 3.909 6.051 1.00 0.00 C ATOM 637 O ASP A 43 -5.598 5.026 6.555 1.00 0.00 O ATOM 638 CB ASP A 43 -6.690 2.094 7.437 1.00 0.00 C ATOM 639 CG ASP A 43 -7.275 2.640 8.724 1.00 0.00 C ATOM 640 OD1 ASP A 43 -8.476 2.407 8.977 1.00 0.00 O ATOM 641 OD2 ASP A 43 -6.533 3.304 9.479 1.00 0.00 O ATOM 0 H ASP A 43 -6.999 1.279 5.118 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.753 3.688 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.145 1.129 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.623 1.919 7.572 1.00 0.00 H new ATOM 646 N TRP A 44 -4.694 3.386 5.309 1.00 0.00 N ATOM 647 CA TRP A 44 -3.454 4.109 5.036 1.00 0.00 C ATOM 648 C TRP A 44 -3.715 5.367 4.212 1.00 0.00 C ATOM 649 O TRP A 44 -3.184 6.436 4.511 1.00 0.00 O ATOM 650 CB TRP A 44 -2.477 3.204 4.276 1.00 0.00 C ATOM 651 CG TRP A 44 -1.442 2.551 5.143 1.00 0.00 C ATOM 652 CD1 TRP A 44 -1.078 2.906 6.412 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.630 1.424 4.795 1.00 0.00 C ATOM 654 NE1 TRP A 44 -0.090 2.067 6.871 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.201 1.148 5.897 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.528 0.619 3.656 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.123 0.102 5.891 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.388 -0.417 3.652 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.201 -0.668 4.764 1.00 0.00 C ATOM 0 H TRP A 44 -4.741 2.460 4.884 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.023 4.403 5.993 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.044 2.429 3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.973 3.794 3.510 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.504 3.725 6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.354 2.120 7.788 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.153 0.803 2.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.753 -0.093 6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.478 -1.043 2.777 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.904 -1.487 4.731 1.00 0.00 H new ATOM 670 N MET A 45 -4.532 5.229 3.173 1.00 0.00 N ATOM 671 CA MET A 45 -4.852 6.357 2.310 1.00 0.00 C ATOM 672 C MET A 45 -5.761 7.359 3.014 1.00 0.00 C ATOM 673 O MET A 45 -5.618 8.566 2.828 1.00 0.00 O ATOM 674 CB MET A 45 -5.470 5.888 0.992 1.00 0.00 C ATOM 675 CG MET A 45 -6.810 5.199 1.137 1.00 0.00 C ATOM 676 SD MET A 45 -6.971 3.784 0.031 1.00 0.00 S ATOM 677 CE MET A 45 -7.676 4.565 -1.415 1.00 0.00 C ATOM 0 H MET A 45 -4.982 4.352 2.910 1.00 0.00 H new ATOM 0 HA MET A 45 -3.916 6.866 2.079 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.588 6.749 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.776 5.205 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.937 4.869 2.168 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.608 5.912 0.930 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.835 3.817 -2.192 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.629 5.024 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.994 5.331 -1.784 1.00 0.00 H new ATOM 687 N ASN A 46 -6.683 6.866 3.840 1.00 0.00 N ATOM 688 CA ASN A 46 -7.579 7.752 4.574 1.00 0.00 C ATOM 689 C ASN A 46 -6.810 8.472 5.676 1.00 0.00 C ATOM 690 O ASN A 46 -7.001 9.668 5.902 1.00 0.00 O ATOM 691 CB ASN A 46 -8.746 6.962 5.173 1.00 0.00 C ATOM 692 CG ASN A 46 -9.968 6.968 4.277 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.864 7.798 4.433 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.013 6.037 3.331 1.00 0.00 N ATOM 0 H ASN A 46 -6.827 5.871 4.015 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.983 8.490 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.432 5.933 5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.008 7.385 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.812 5.991 2.699 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.248 5.368 3.237 1.00 0.00 H new ATOM 701 N PHE A 47 -5.924 7.738 6.349 1.00 0.00 N ATOM 702 CA PHE A 47 -5.112 8.315 7.413 1.00 0.00 C ATOM 703 C PHE A 47 -4.237 9.426 6.849 1.00 0.00 C ATOM 704 O PHE A 47 -4.142 10.508 7.423 1.00 0.00 O ATOM 705 CB PHE A 47 -4.240 7.236 8.080 1.00 0.00 C ATOM 706 CG PHE A 47 -2.767 7.549 8.084 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.253 8.509 8.941 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.901 6.892 7.223 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.905 8.807 8.941 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.551 7.188 7.218 1.00 0.00 C ATOM 711 CZ PHE A 47 -0.053 8.147 8.078 1.00 0.00 C ATOM 0 H PHE A 47 -5.753 6.748 6.175 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.775 8.732 8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.574 7.099 9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.397 6.288 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.915 9.030 9.617 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.286 6.141 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.517 9.556 9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.114 6.670 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.001 8.380 8.075 1.00 0.00 H new ATOM 721 N TYR A 48 -3.599 9.145 5.717 1.00 0.00 N ATOM 722 CA TYR A 48 -2.729 10.114 5.068 1.00 0.00 C ATOM 723 C TYR A 48 -3.507 11.366 4.692 1.00 0.00 C ATOM 724 O TYR A 48 -3.062 12.479 4.936 1.00 0.00 O ATOM 725 CB TYR A 48 -2.091 9.503 3.821 1.00 0.00 C ATOM 726 CG TYR A 48 -0.792 8.781 4.092 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.193 9.356 4.886 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.551 7.523 3.555 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.382 8.697 5.137 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.635 6.858 3.802 1.00 0.00 C ATOM 731 CZ TYR A 48 1.597 7.448 4.592 1.00 0.00 C ATOM 732 OH TYR A 48 2.778 6.788 4.840 1.00 0.00 O ATOM 0 H TYR A 48 -3.670 8.251 5.231 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.942 10.390 5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.796 8.806 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.911 10.293 3.092 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.027 10.334 5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.302 7.057 2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.138 9.157 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.807 5.880 3.377 1.00 0.00 H new ATOM 0 HH TYR A 48 2.621 5.821 4.827 1.00 0.00 H new ATOM 742 N ILE A 49 -4.661 11.170 4.073 1.00 0.00 N ATOM 743 CA ILE A 49 -5.498 12.281 3.638 1.00 0.00 C ATOM 744 C ILE A 49 -5.806 13.238 4.800 1.00 0.00 C ATOM 745 O ILE A 49 -5.534 14.442 4.719 1.00 0.00 O ATOM 746 CB ILE A 49 -6.811 11.729 3.023 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.645 11.535 1.513 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.006 12.624 3.319 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.503 12.829 0.742 1.00 0.00 C ATOM 0 H ILE A 49 -5.042 10.248 3.859 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.956 12.849 2.882 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.011 10.764 3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.767 10.916 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.506 10.987 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.901 12.196 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.144 12.701 4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.829 13.616 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.390 12.609 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.392 13.442 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.625 13.369 1.096 1.00 0.00 H new ATOM 761 N ASN A 50 -6.362 12.699 5.881 1.00 0.00 N ATOM 762 CA ASN A 50 -6.698 13.506 7.051 1.00 0.00 C ATOM 763 C ASN A 50 -5.438 13.980 7.775 1.00 0.00 C ATOM 764 O ASN A 50 -5.410 15.066 8.356 1.00 0.00 O ATOM 765 CB ASN A 50 -7.578 12.700 8.010 1.00 0.00 C ATOM 766 CG ASN A 50 -7.969 13.488 9.245 1.00 0.00 C ATOM 767 OD1 ASN A 50 -8.162 14.702 9.187 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.091 12.798 10.373 1.00 0.00 N ATOM 0 H ASN A 50 -6.589 11.709 5.972 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.246 14.384 6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.479 12.380 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.047 11.797 8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.354 13.274 11.236 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.922 11.792 10.376 1.00 0.00 H new ATOM 775 N TYR A 51 -4.409 13.147 7.746 1.00 0.00 N ATOM 776 CA TYR A 51 -3.142 13.449 8.405 1.00 0.00 C ATOM 777 C TYR A 51 -2.409 14.605 7.723 1.00 0.00 C ATOM 778 O TYR A 51 -1.820 15.459 8.386 1.00 0.00 O ATOM 779 CB TYR A 51 -2.271 12.189 8.397 1.00 0.00 C ATOM 780 CG TYR A 51 -0.857 12.395 8.887 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.596 13.069 10.071 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.217 11.896 8.163 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.700 13.244 10.520 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.513 12.065 8.603 1.00 0.00 C ATOM 785 CZ TYR A 51 1.750 12.739 9.782 1.00 0.00 C ATOM 786 OH TYR A 51 3.042 12.909 10.226 1.00 0.00 O ATOM 0 H TYR A 51 -4.425 12.246 7.268 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.346 13.760 9.430 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.749 11.430 9.017 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.235 11.795 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.418 13.463 10.651 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.035 11.366 7.240 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.889 13.773 11.443 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.338 11.672 8.027 1.00 0.00 H new ATOM 0 HH TYR A 51 3.151 13.818 10.575 1.00 0.00 H new ATOM 796 N TYR A 52 -2.434 14.609 6.399 1.00 0.00 N ATOM 797 CA TYR A 52 -1.760 15.636 5.613 1.00 0.00 C ATOM 798 C TYR A 52 -2.514 16.955 5.618 1.00 0.00 C ATOM 799 O TYR A 52 -1.901 18.020 5.641 1.00 0.00 O ATOM 800 CB TYR A 52 -1.575 15.167 4.176 1.00 0.00 C ATOM 801 CG TYR A 52 -0.584 14.045 4.040 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.643 14.098 4.684 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.878 12.932 3.273 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.552 13.069 4.567 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.021 11.895 3.151 1.00 0.00 C ATOM 806 CZ TYR A 52 1.237 11.967 3.800 1.00 0.00 C ATOM 807 OH TYR A 52 2.133 10.931 3.691 1.00 0.00 O ATOM 0 H TYR A 52 -2.918 13.906 5.840 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.789 15.803 6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.537 14.843 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.247 16.008 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.890 14.959 5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.828 12.875 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.505 13.125 5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.224 11.031 2.551 1.00 0.00 H new ATOM 0 HH TYR A 52 1.676 10.083 3.872 1.00 0.00 H new ATOM 817 N ARG A 53 -3.841 16.894 5.603 1.00 0.00 N ATOM 818 CA ARG A 53 -4.637 18.113 5.613 1.00 0.00 C ATOM 819 C ARG A 53 -4.342 18.933 6.864 1.00 0.00 C ATOM 820 O ARG A 53 -4.540 20.147 6.889 1.00 0.00 O ATOM 821 CB ARG A 53 -6.125 17.780 5.551 1.00 0.00 C ATOM 822 CG ARG A 53 -6.601 16.913 6.700 1.00 0.00 C ATOM 823 CD ARG A 53 -8.115 16.959 6.841 1.00 0.00 C ATOM 824 NE ARG A 53 -8.791 16.703 5.571 1.00 0.00 N ATOM 825 CZ ARG A 53 -9.478 15.594 5.295 1.00 0.00 C ATOM 826 NH1 ARG A 53 -9.592 14.625 6.196 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.056 15.454 4.111 1.00 0.00 N ATOM 0 H ARG A 53 -4.380 16.028 5.584 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.370 18.701 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.697 18.708 5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.336 17.271 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.280 15.884 6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.137 17.249 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.433 16.220 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.414 17.936 7.221 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.734 17.420 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.152 14.725 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.120 13.781 5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.975 16.194 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.582 14.607 3.897 1.00 0.00 H new ATOM 841 N GLN A 54 -3.881 18.250 7.905 1.00 0.00 N ATOM 842 CA GLN A 54 -3.571 18.894 9.176 1.00 0.00 C ATOM 843 C GLN A 54 -2.104 19.325 9.273 1.00 0.00 C ATOM 844 O GLN A 54 -1.775 20.223 10.047 1.00 0.00 O ATOM 845 CB GLN A 54 -3.909 17.952 10.332 1.00 0.00 C ATOM 846 CG GLN A 54 -3.939 18.637 11.689 1.00 0.00 C ATOM 847 CD GLN A 54 -4.700 17.838 12.729 1.00 0.00 C ATOM 848 OE1 GLN A 54 -5.433 18.397 13.544 1.00 0.00 O ATOM 849 NE2 GLN A 54 -4.530 16.520 12.707 1.00 0.00 N ATOM 0 H GLN A 54 -3.713 17.244 7.893 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.180 19.796 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.880 17.494 10.144 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.176 17.145 10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.917 18.796 12.034 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.397 19.621 11.585 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.913 16.097 12.014 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.017 15.932 13.383 1.00 0.00 H new ATOM 858 N GLN A 55 -1.216 18.687 8.505 1.00 0.00 N ATOM 859 CA GLN A 55 0.210 19.028 8.547 1.00 0.00 C ATOM 860 C GLN A 55 0.577 20.053 7.474 1.00 0.00 C ATOM 861 O GLN A 55 1.672 20.020 6.913 1.00 0.00 O ATOM 862 CB GLN A 55 1.054 17.768 8.353 1.00 0.00 C ATOM 863 CG GLN A 55 0.970 16.789 9.511 1.00 0.00 C ATOM 864 CD GLN A 55 2.010 15.692 9.417 1.00 0.00 C ATOM 865 OE1 GLN A 55 2.724 15.412 10.379 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.102 15.063 8.250 1.00 0.00 N ATOM 0 H GLN A 55 -1.455 17.940 7.853 1.00 0.00 H new ATOM 0 HA GLN A 55 0.415 19.467 9.523 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.734 17.265 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.095 18.058 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.099 17.329 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.024 16.342 9.534 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.490 15.328 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.785 14.316 8.126 1.00 0.00 H new ATOM 875 N VAL A 56 -0.352 20.954 7.192 1.00 0.00 N ATOM 876 CA VAL A 56 -0.125 21.982 6.180 1.00 0.00 C ATOM 877 C VAL A 56 -0.051 23.377 6.787 1.00 0.00 C ATOM 878 O VAL A 56 -0.449 23.595 7.932 1.00 0.00 O ATOM 879 CB VAL A 56 -1.208 21.976 5.085 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.597 22.344 3.741 1.00 0.00 C ATOM 881 CG2 VAL A 56 -1.905 20.626 5.003 1.00 0.00 C ATOM 0 H VAL A 56 -1.265 20.997 7.645 1.00 0.00 H new ATOM 0 HA VAL A 56 0.836 21.735 5.729 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.959 22.721 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.372 22.336 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.157 23.339 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.176 21.620 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.664 20.655 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.173 19.852 4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.378 20.402 5.959 1.00 0.00 H new ATOM 891 N THR A 57 0.460 24.319 5.999 1.00 0.00 N ATOM 892 CA THR A 57 0.599 25.709 6.412 1.00 0.00 C ATOM 893 C THR A 57 0.198 26.605 5.244 1.00 0.00 C ATOM 894 O THR A 57 -0.011 26.111 4.136 1.00 0.00 O ATOM 895 CB THR A 57 2.040 26.002 6.835 1.00 0.00 C ATOM 896 OG1 THR A 57 2.608 24.880 7.489 1.00 0.00 O ATOM 897 CG2 THR A 57 2.163 27.187 7.768 1.00 0.00 C ATOM 0 H THR A 57 0.790 24.137 5.051 1.00 0.00 H new ATOM 0 HA THR A 57 -0.047 25.903 7.268 1.00 0.00 H new ATOM 0 HB THR A 57 2.570 26.233 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.530 25.086 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.211 27.338 8.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.779 28.080 7.275 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.588 26.998 8.674 1.00 0.00 H new ATOM 905 N GLY A 58 0.094 27.911 5.467 1.00 0.00 N ATOM 906 CA GLY A 58 -0.278 28.803 4.382 1.00 0.00 C ATOM 907 C GLY A 58 -1.773 28.843 4.139 1.00 0.00 C ATOM 908 O GLY A 58 -2.560 28.430 4.991 1.00 0.00 O ATOM 0 H GLY A 58 0.258 28.364 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.075 29.809 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.225 28.486 3.469 1.00 0.00 H new ATOM 912 N GLU A 59 -2.167 29.350 2.974 1.00 0.00 N ATOM 913 CA GLU A 59 -3.578 29.453 2.618 1.00 0.00 C ATOM 914 C GLU A 59 -4.223 28.073 2.494 1.00 0.00 C ATOM 915 O GLU A 59 -3.534 27.066 2.335 1.00 0.00 O ATOM 916 CB GLU A 59 -3.737 30.222 1.307 1.00 0.00 C ATOM 917 CG GLU A 59 -3.833 31.727 1.496 1.00 0.00 C ATOM 918 CD GLU A 59 -3.757 32.486 0.186 1.00 0.00 C ATOM 919 OE1 GLU A 59 -4.723 32.407 -0.603 1.00 0.00 O ATOM 920 OE2 GLU A 59 -2.733 33.160 -0.052 1.00 0.00 O ATOM 0 H GLU A 59 -1.527 29.696 2.259 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.085 29.994 3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.890 29.998 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.632 29.870 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.771 31.967 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.028 32.059 2.151 1.00 0.00 H new ATOM 927 N PRO A 60 -5.565 28.015 2.571 1.00 0.00 N ATOM 928 CA PRO A 60 -6.316 26.758 2.472 1.00 0.00 C ATOM 929 C PRO A 60 -6.243 26.128 1.084 1.00 0.00 C ATOM 930 O PRO A 60 -6.372 24.911 0.939 1.00 0.00 O ATOM 931 CB PRO A 60 -7.755 27.174 2.791 1.00 0.00 C ATOM 932 CG PRO A 60 -7.817 28.623 2.450 1.00 0.00 C ATOM 933 CD PRO A 60 -6.455 29.176 2.763 1.00 0.00 C ATOM 0 HA PRO A 60 -5.913 26.000 3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.472 26.599 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.992 27.004 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.065 28.767 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.588 29.129 3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.192 29.999 2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.401 29.560 3.782 1.00 0.00 H new ATOM 941 N GLN A 61 -6.044 26.957 0.065 1.00 0.00 N ATOM 942 CA GLN A 61 -5.962 26.475 -1.312 1.00 0.00 C ATOM 943 C GLN A 61 -4.885 25.405 -1.461 1.00 0.00 C ATOM 944 O GLN A 61 -5.076 24.397 -2.148 1.00 0.00 O ATOM 945 CB GLN A 61 -5.672 27.642 -2.258 1.00 0.00 C ATOM 946 CG GLN A 61 -6.624 27.716 -3.441 1.00 0.00 C ATOM 947 CD GLN A 61 -5.915 28.049 -4.739 1.00 0.00 C ATOM 948 OE1 GLN A 61 -5.473 27.157 -5.464 1.00 0.00 O ATOM 949 NE2 GLN A 61 -5.801 29.338 -5.038 1.00 0.00 N ATOM 0 H GLN A 61 -5.936 27.966 0.165 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.922 26.028 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.728 28.576 -1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.651 27.553 -2.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.140 26.762 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.386 28.470 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.182 30.043 -4.408 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.332 29.623 -5.898 1.00 0.00 H new ATOM 958 N GLU A 62 -3.753 25.630 -0.811 1.00 0.00 N ATOM 959 CA GLU A 62 -2.644 24.690 -0.871 1.00 0.00 C ATOM 960 C GLU A 62 -3.030 23.351 -0.262 1.00 0.00 C ATOM 961 O GLU A 62 -2.762 22.296 -0.842 1.00 0.00 O ATOM 962 CB GLU A 62 -1.428 25.250 -0.144 1.00 0.00 C ATOM 963 CG GLU A 62 -0.549 26.133 -1.013 1.00 0.00 C ATOM 964 CD GLU A 62 0.067 27.283 -0.240 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.623 27.034 0.850 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.006 28.432 -0.725 1.00 0.00 O ATOM 0 H GLU A 62 -3.578 26.454 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.395 24.538 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.765 25.825 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.831 24.422 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.245 25.529 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.141 26.530 -1.837 1.00 0.00 H new ATOM 973 N ARG A 63 -3.655 23.388 0.914 1.00 0.00 N ATOM 974 CA ARG A 63 -4.057 22.157 1.579 1.00 0.00 C ATOM 975 C ARG A 63 -4.941 21.330 0.664 1.00 0.00 C ATOM 976 O ARG A 63 -4.705 20.140 0.455 1.00 0.00 O ATOM 977 CB ARG A 63 -4.816 22.465 2.867 1.00 0.00 C ATOM 978 CG ARG A 63 -3.942 23.059 3.951 1.00 0.00 C ATOM 979 CD ARG A 63 -4.199 24.542 4.114 1.00 0.00 C ATOM 980 NE ARG A 63 -3.351 25.134 5.147 1.00 0.00 N ATOM 981 CZ ARG A 63 -3.723 26.147 5.929 1.00 0.00 C ATOM 982 NH1 ARG A 63 -4.924 26.697 5.796 1.00 0.00 N ATOM 983 NH2 ARG A 63 -2.887 26.615 6.845 1.00 0.00 N ATOM 0 H ARG A 63 -3.890 24.244 1.417 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.156 21.594 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.628 23.157 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.272 21.548 3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.133 22.549 4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.893 22.894 3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.021 25.047 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.247 24.703 4.369 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.416 24.748 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.571 26.345 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.200 27.472 6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.961 26.200 6.950 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.169 27.390 7.445 1.00 0.00 H new ATOM 997 N ASP A 64 -5.974 21.970 0.134 1.00 0.00 N ATOM 998 CA ASP A 64 -6.909 21.287 -0.739 1.00 0.00 C ATOM 999 C ASP A 64 -6.192 20.636 -1.915 1.00 0.00 C ATOM 1000 O ASP A 64 -6.523 19.511 -2.288 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.003 22.252 -1.225 1.00 0.00 C ATOM 1002 CG ASP A 64 -7.660 22.950 -2.532 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -7.561 22.259 -3.568 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -7.498 24.187 -2.518 1.00 0.00 O ATOM 0 H ASP A 64 -6.182 22.956 0.294 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.387 20.493 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.934 21.699 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.180 23.004 -0.456 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.215 21.324 -2.511 1.00 0.00 N ATOM 1010 CA LYS A 65 -4.500 20.752 -3.645 1.00 0.00 C ATOM 1011 C LYS A 65 -3.801 19.457 -3.252 1.00 0.00 C ATOM 1012 O LYS A 65 -3.927 18.439 -3.933 1.00 0.00 O ATOM 1013 CB LYS A 65 -3.486 21.755 -4.199 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.822 22.239 -5.599 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.643 23.744 -5.732 1.00 0.00 C ATOM 1016 CE LYS A 65 -2.373 24.095 -6.493 1.00 0.00 C ATOM 1017 NZ LYS A 65 -2.658 24.919 -7.700 1.00 0.00 N ATOM 0 H LYS A 65 -4.909 22.256 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.228 20.524 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.431 22.613 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.498 21.294 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.184 21.731 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.851 21.972 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.505 24.169 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.610 24.195 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.694 24.638 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.864 23.179 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.767 25.137 -8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.285 24.392 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.121 25.805 -7.414 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.060 19.504 -2.153 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.336 18.330 -1.678 1.00 0.00 C ATOM 1033 C ALA A 66 -3.286 17.163 -1.442 1.00 0.00 C ATOM 1034 O ALA A 66 -2.944 16.012 -1.705 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.570 18.650 -0.404 1.00 0.00 C ATOM 0 H ALA A 66 -2.944 20.337 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.623 18.042 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.037 17.761 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.855 19.449 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.268 18.970 0.370 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.483 17.466 -0.950 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.478 16.434 -0.687 1.00 0.00 C ATOM 1043 C LEU A 67 -6.021 15.859 -1.993 1.00 0.00 C ATOM 1044 O LEU A 67 -6.338 14.671 -2.074 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.621 16.996 0.163 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.436 16.839 1.673 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.084 17.385 2.104 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -7.563 17.536 2.426 1.00 0.00 C ATOM 0 H LEU A 67 -4.786 18.414 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.995 15.629 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.738 18.055 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.548 16.502 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.469 15.777 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.970 17.265 3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.291 16.839 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.020 18.443 1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.414 17.413 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.564 18.598 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.518 17.096 2.140 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.110 16.701 -3.021 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.598 16.261 -4.322 1.00 0.00 C ATOM 1062 C GLN A 68 -5.546 15.410 -5.017 1.00 0.00 C ATOM 1063 O GLN A 68 -5.840 14.323 -5.518 1.00 0.00 O ATOM 1064 CB GLN A 68 -6.954 17.463 -5.202 1.00 0.00 C ATOM 1065 CG GLN A 68 -7.732 18.549 -4.477 1.00 0.00 C ATOM 1066 CD GLN A 68 -9.055 18.866 -5.147 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -9.213 18.679 -6.354 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -10.013 19.351 -4.367 1.00 0.00 N ATOM 0 H GLN A 68 -5.851 17.687 -2.977 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.497 15.664 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.035 17.893 -5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.540 17.117 -6.053 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.916 18.235 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.127 19.454 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.839 19.490 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.924 19.585 -4.763 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.315 15.910 -5.042 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.218 15.197 -5.674 1.00 0.00 C ATOM 1079 C GLU A 69 -2.975 13.869 -4.974 1.00 0.00 C ATOM 1080 O GLU A 69 -2.600 12.885 -5.610 1.00 0.00 O ATOM 1081 CB GLU A 69 -1.943 16.044 -5.651 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.775 16.924 -6.879 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.399 17.556 -6.958 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.081 18.394 -6.088 1.00 0.00 O ATOM 1085 OE2 GLU A 69 0.359 17.214 -7.889 1.00 0.00 O ATOM 0 H GLU A 69 -4.055 16.807 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.489 15.002 -6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.951 16.674 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.080 15.384 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.949 16.328 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.531 17.709 -6.866 1.00 0.00 H new ATOM 1092 N LEU A 70 -3.202 13.838 -3.665 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.016 12.611 -2.907 1.00 0.00 C ATOM 1094 C LEU A 70 -4.084 11.601 -3.285 1.00 0.00 C ATOM 1095 O LEU A 70 -3.788 10.445 -3.554 1.00 0.00 O ATOM 1096 CB LEU A 70 -3.042 12.873 -1.402 1.00 0.00 C ATOM 1097 CG LEU A 70 -2.067 12.021 -0.596 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.712 12.705 -0.515 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.621 11.751 0.793 1.00 0.00 C ATOM 0 H LEU A 70 -3.511 14.639 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.035 12.207 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.818 13.925 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.052 12.695 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.938 11.064 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.026 12.086 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.315 12.846 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.822 13.675 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.913 11.142 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.778 12.696 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.570 11.221 0.710 1.00 0.00 H new ATOM 1111 N ARG A 71 -5.333 12.041 -3.302 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.437 11.157 -3.651 1.00 0.00 C ATOM 1113 C ARG A 71 -6.194 10.515 -5.017 1.00 0.00 C ATOM 1114 O ARG A 71 -6.449 9.325 -5.212 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.752 11.938 -3.663 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.990 11.057 -3.573 1.00 0.00 C ATOM 1117 CD ARG A 71 -10.227 11.782 -4.082 1.00 0.00 C ATOM 1118 NE ARG A 71 -10.884 11.050 -5.161 1.00 0.00 N ATOM 1119 CZ ARG A 71 -11.581 11.629 -6.137 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -11.725 12.949 -6.171 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -12.141 10.885 -7.083 1.00 0.00 N ATOM 0 H ARG A 71 -5.607 12.998 -3.080 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.502 10.368 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.755 12.639 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.804 12.530 -4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.834 10.148 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.146 10.751 -2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.929 11.923 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.946 12.774 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.804 10.033 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.300 13.527 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.260 13.384 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.037 9.870 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.675 11.328 -7.831 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.684 11.309 -5.957 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.393 10.814 -7.296 1.00 0.00 C ATOM 1137 C GLN A 72 -4.142 9.933 -7.279 1.00 0.00 C ATOM 1138 O GLN A 72 -4.126 8.845 -7.854 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.239 12.007 -8.262 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.033 11.950 -9.197 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.416 11.600 -10.622 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -4.426 12.459 -11.503 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -4.735 10.333 -10.855 1.00 0.00 N ATOM 0 H GLN A 72 -5.465 12.295 -5.814 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.219 10.195 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.142 12.079 -8.868 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.176 12.922 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -3.525 12.914 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.323 11.212 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.713 9.653 -10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.002 10.039 -11.794 1.00 0.00 H new ATOM 1152 N GLU A 73 -3.098 10.416 -6.611 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.841 9.681 -6.511 1.00 0.00 C ATOM 1154 C GLU A 73 -2.047 8.335 -5.823 1.00 0.00 C ATOM 1155 O GLU A 73 -1.423 7.340 -6.184 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.807 10.504 -5.738 1.00 0.00 C ATOM 1157 CG GLU A 73 -0.035 11.480 -6.608 1.00 0.00 C ATOM 1158 CD GLU A 73 0.951 10.787 -7.528 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.700 9.912 -7.045 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.973 11.119 -8.732 1.00 0.00 O ATOM 0 H GLU A 73 -3.098 11.315 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.475 9.500 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.313 11.057 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.104 9.826 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.737 12.062 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.501 12.184 -5.971 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.970 8.309 -4.869 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.302 7.073 -4.178 1.00 0.00 C ATOM 1169 C LEU A 74 -4.008 6.139 -5.152 1.00 0.00 C ATOM 1170 O LEU A 74 -3.697 4.955 -5.246 1.00 0.00 O ATOM 1171 CB LEU A 74 -4.184 7.363 -2.961 1.00 0.00 C ATOM 1172 CG LEU A 74 -3.460 7.961 -1.741 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.281 6.914 -0.659 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -2.106 8.552 -2.126 1.00 0.00 C ATOM 0 H LEU A 74 -3.498 9.125 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.391 6.595 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.975 8.049 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.667 6.435 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.083 8.768 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.767 7.357 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.257 6.546 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.689 6.086 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.624 8.965 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.476 7.771 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.250 9.343 -2.862 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.979 6.703 -5.867 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.765 5.952 -6.841 1.00 0.00 C ATOM 1188 C ASN A 75 -4.858 5.245 -7.842 1.00 0.00 C ATOM 1189 O ASN A 75 -5.132 4.121 -8.262 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.731 6.883 -7.577 1.00 0.00 C ATOM 1191 CG ASN A 75 -8.129 6.846 -6.992 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -9.070 6.378 -7.633 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -8.272 7.343 -5.769 1.00 0.00 N ATOM 0 H ASN A 75 -5.241 7.686 -5.788 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.339 5.198 -6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.350 7.903 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.773 6.601 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.190 7.347 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.464 7.721 -5.274 1.00 0.00 H new ATOM 1200 N THR A 76 -3.772 5.912 -8.211 1.00 0.00 N ATOM 1201 CA THR A 76 -2.814 5.350 -9.154 1.00 0.00 C ATOM 1202 C THR A 76 -1.860 4.383 -8.456 1.00 0.00 C ATOM 1203 O THR A 76 -1.646 3.268 -8.916 1.00 0.00 O ATOM 1204 CB THR A 76 -2.019 6.466 -9.834 1.00 0.00 C ATOM 1205 OG1 THR A 76 -2.814 7.628 -9.985 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.498 6.085 -11.202 1.00 0.00 C ATOM 0 H THR A 76 -3.533 6.843 -7.871 1.00 0.00 H new ATOM 0 HA THR A 76 -3.372 4.798 -9.910 1.00 0.00 H new ATOM 0 HB THR A 76 -1.168 6.652 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.287 8.330 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.944 6.922 -11.627 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.839 5.222 -11.113 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.335 5.836 -11.854 1.00 0.00 H new ATOM 1214 N LEU A 77 -1.269 4.845 -7.360 1.00 0.00 N ATOM 1215 CA LEU A 77 -0.301 4.057 -6.593 1.00 0.00 C ATOM 1216 C LEU A 77 -0.881 2.746 -6.045 1.00 0.00 C ATOM 1217 O LEU A 77 -0.192 1.727 -6.012 1.00 0.00 O ATOM 1218 CB LEU A 77 0.244 4.905 -5.440 1.00 0.00 C ATOM 1219 CG LEU A 77 1.668 5.425 -5.638 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.047 6.387 -4.521 1.00 0.00 C ATOM 1221 CD2 LEU A 77 2.652 4.267 -5.702 1.00 0.00 C ATOM 0 H LEU A 77 -1.444 5.773 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 77 0.499 3.779 -7.280 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.420 5.756 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.214 4.311 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 77 1.709 5.966 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.064 6.746 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.359 7.233 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.990 5.872 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.661 4.654 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.608 3.700 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.393 3.615 -6.537 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.122 2.784 -5.580 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.764 1.607 -4.991 1.00 0.00 C ATOM 1235 C ALA A 78 -2.965 0.455 -5.980 1.00 0.00 C ATOM 1236 O ALA A 78 -2.701 -0.702 -5.652 1.00 0.00 O ATOM 1237 CB ALA A 78 -4.101 2.000 -4.380 1.00 0.00 C ATOM 0 H ALA A 78 -2.709 3.618 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.085 1.239 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.574 1.120 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.940 2.749 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.748 2.413 -5.154 1.00 0.00 H new ATOM 1243 N ASN A 79 -3.480 0.760 -7.166 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.768 -0.275 -8.163 1.00 0.00 C ATOM 1245 C ASN A 79 -2.573 -1.205 -8.416 1.00 0.00 C ATOM 1246 O ASN A 79 -2.723 -2.426 -8.383 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.204 0.372 -9.479 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.390 -0.334 -10.106 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -6.528 0.119 -9.990 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.128 -1.451 -10.775 1.00 0.00 N ATOM 0 H ASN A 79 -3.707 1.709 -7.463 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.575 -0.887 -7.760 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.460 1.416 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.368 0.364 -10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.886 -1.970 -11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.169 -1.790 -10.846 1.00 0.00 H new ATOM 1257 N PRO A 80 -1.376 -0.657 -8.680 1.00 0.00 N ATOM 1258 CA PRO A 80 -0.182 -1.469 -8.941 1.00 0.00 C ATOM 1259 C PRO A 80 0.324 -2.199 -7.700 1.00 0.00 C ATOM 1260 O PRO A 80 1.001 -3.225 -7.807 1.00 0.00 O ATOM 1261 CB PRO A 80 0.850 -0.447 -9.418 1.00 0.00 C ATOM 1262 CG PRO A 80 0.411 0.843 -8.821 1.00 0.00 C ATOM 1263 CD PRO A 80 -1.091 0.783 -8.758 1.00 0.00 C ATOM 0 HA PRO A 80 -0.387 -2.260 -9.663 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.854 -0.715 -9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.877 -0.390 -10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.838 0.978 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.742 1.686 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -1.478 1.316 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.548 1.235 -9.638 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.001 -1.675 -6.520 1.00 0.00 N ATOM 1272 CA PHE A 81 0.431 -2.286 -5.269 1.00 0.00 C ATOM 1273 C PHE A 81 -0.254 -3.631 -5.056 1.00 0.00 C ATOM 1274 O PHE A 81 0.407 -4.647 -4.835 1.00 0.00 O ATOM 1275 CB PHE A 81 0.128 -1.332 -4.104 1.00 0.00 C ATOM 1276 CG PHE A 81 0.140 -1.968 -2.739 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.979 -3.035 -2.452 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.689 -1.484 -1.738 1.00 0.00 C ATOM 1279 CE1 PHE A 81 0.987 -3.608 -1.193 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.684 -2.052 -0.479 1.00 0.00 C ATOM 1281 CZ PHE A 81 0.154 -3.115 -0.205 1.00 0.00 C ATOM 0 H PHE A 81 -0.561 -0.830 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 81 1.505 -2.466 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.859 -0.523 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.850 -0.881 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.633 -3.422 -3.220 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.347 -0.653 -1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.643 -4.439 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.335 -1.665 0.291 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.159 -3.560 0.779 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.581 -3.635 -5.126 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.344 -4.863 -4.941 1.00 0.00 C ATOM 1293 C LEU A 82 -1.885 -5.931 -5.927 1.00 0.00 C ATOM 1294 O LEU A 82 -1.952 -7.126 -5.637 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.842 -4.592 -5.108 1.00 0.00 C ATOM 1296 CG LEU A 82 -4.409 -3.509 -4.186 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -5.893 -3.305 -4.452 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.172 -3.872 -2.726 1.00 0.00 C ATOM 0 H LEU A 82 -2.147 -2.807 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.168 -5.228 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.031 -4.303 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.386 -5.520 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.891 -2.573 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.279 -2.532 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.038 -2.999 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.427 -4.238 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.582 -3.091 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.663 -4.819 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.102 -3.966 -2.544 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.404 -5.495 -7.088 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.920 -6.417 -8.103 1.00 0.00 C ATOM 1312 C ALA A 83 0.394 -7.050 -7.662 1.00 0.00 C ATOM 1313 O ALA A 83 0.565 -8.266 -7.740 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.748 -5.697 -9.434 1.00 0.00 C ATOM 0 H ALA A 83 -1.340 -4.510 -7.346 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.657 -7.210 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.385 -6.400 -10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.707 -5.289 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.029 -4.886 -9.319 1.00 0.00 H new ATOM 1320 N LYS A 84 1.318 -6.216 -7.188 1.00 0.00 N ATOM 1321 CA LYS A 84 2.614 -6.701 -6.722 1.00 0.00 C ATOM 1322 C LYS A 84 2.431 -7.739 -5.622 1.00 0.00 C ATOM 1323 O LYS A 84 3.151 -8.738 -5.568 1.00 0.00 O ATOM 1324 CB LYS A 84 3.470 -5.544 -6.202 1.00 0.00 C ATOM 1325 CG LYS A 84 3.975 -4.623 -7.300 1.00 0.00 C ATOM 1326 CD LYS A 84 5.127 -5.251 -8.068 1.00 0.00 C ATOM 1327 CE LYS A 84 6.447 -5.070 -7.337 1.00 0.00 C ATOM 1328 NZ LYS A 84 6.943 -3.668 -7.424 1.00 0.00 N ATOM 0 H LYS A 84 1.194 -5.206 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 84 3.124 -7.164 -7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.885 -4.961 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.323 -5.949 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.161 -4.394 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.299 -3.678 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.933 -6.314 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.194 -4.801 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.323 -5.347 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.191 -5.745 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.939 -3.633 -7.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.861 -3.331 -8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.375 -3.059 -6.801 1.00 0.00 H new ATOM 1342 N TYR A 85 1.458 -7.501 -4.748 1.00 0.00 N ATOM 1343 CA TYR A 85 1.187 -8.424 -3.658 1.00 0.00 C ATOM 1344 C TYR A 85 0.500 -9.679 -4.179 1.00 0.00 C ATOM 1345 O TYR A 85 0.731 -10.774 -3.673 1.00 0.00 O ATOM 1346 CB TYR A 85 0.338 -7.763 -2.572 1.00 0.00 C ATOM 1347 CG TYR A 85 0.694 -8.230 -1.177 1.00 0.00 C ATOM 1348 CD1 TYR A 85 2.022 -8.371 -0.789 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.295 -8.536 -0.251 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.352 -8.803 0.480 1.00 0.00 C ATOM 1351 CE2 TYR A 85 0.028 -8.968 1.022 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.354 -9.099 1.382 1.00 0.00 C ATOM 1353 OH TYR A 85 1.682 -9.530 2.647 1.00 0.00 O ATOM 0 H TYR A 85 0.850 -6.683 -4.775 1.00 0.00 H new ATOM 0 HA TYR A 85 2.141 -8.707 -3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.462 -6.682 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.714 -7.974 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.808 -8.139 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.333 -8.435 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.389 -8.908 0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.753 -9.202 1.731 1.00 0.00 H new ATOM 0 HH TYR A 85 2.433 -9.001 2.989 1.00 0.00 H new ATOM 1363 N ARG A 86 -0.329 -9.520 -5.204 1.00 0.00 N ATOM 1364 CA ARG A 86 -1.021 -10.657 -5.796 1.00 0.00 C ATOM 1365 C ARG A 86 -0.004 -11.636 -6.373 1.00 0.00 C ATOM 1366 O ARG A 86 -0.120 -12.849 -6.201 1.00 0.00 O ATOM 1367 CB ARG A 86 -1.986 -10.192 -6.889 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.428 -10.084 -6.419 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.063 -11.456 -6.252 1.00 0.00 C ATOM 1370 NE ARG A 86 -4.985 -11.769 -7.340 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.230 -11.306 -7.414 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.706 -10.508 -6.467 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.002 -11.641 -8.439 1.00 0.00 N ATOM 0 H ARG A 86 -0.537 -8.621 -5.639 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.600 -11.158 -5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.660 -9.221 -7.261 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.936 -10.888 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.464 -9.547 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.003 -9.500 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.281 -12.214 -6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.597 -11.495 -5.302 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.655 -12.379 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.117 -10.246 -5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.661 -10.156 -6.529 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.641 -12.254 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.957 -11.286 -8.496 1.00 0.00 H new ATOM 1387 N ASP A 87 1.008 -11.087 -7.039 1.00 0.00 N ATOM 1388 CA ASP A 87 2.071 -11.894 -7.624 1.00 0.00 C ATOM 1389 C ASP A 87 2.982 -12.439 -6.528 1.00 0.00 C ATOM 1390 O ASP A 87 3.525 -13.538 -6.644 1.00 0.00 O ATOM 1391 CB ASP A 87 2.883 -11.065 -8.621 1.00 0.00 C ATOM 1392 CG ASP A 87 2.434 -11.281 -10.053 1.00 0.00 C ATOM 1393 OD1 ASP A 87 1.511 -10.568 -10.500 1.00 0.00 O ATOM 1394 OD2 ASP A 87 3.004 -12.165 -10.726 1.00 0.00 O ATOM 0 H ASP A 87 1.113 -10.083 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 87 1.619 -12.732 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.792 -10.008 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.938 -11.324 -8.531 1.00 0.00 H new ATOM 1399 N PHE A 88 3.133 -11.659 -5.461 1.00 0.00 N ATOM 1400 CA PHE A 88 3.966 -12.050 -4.329 1.00 0.00 C ATOM 1401 C PHE A 88 3.288 -13.139 -3.503 1.00 0.00 C ATOM 1402 O PHE A 88 3.955 -13.970 -2.891 1.00 0.00 O ATOM 1403 CB PHE A 88 4.273 -10.841 -3.445 1.00 0.00 C ATOM 1404 CG PHE A 88 5.407 -11.082 -2.493 1.00 0.00 C ATOM 1405 CD1 PHE A 88 6.678 -11.362 -2.967 1.00 0.00 C ATOM 1406 CD2 PHE A 88 5.201 -11.035 -1.124 1.00 0.00 C ATOM 1407 CE1 PHE A 88 7.723 -11.591 -2.094 1.00 0.00 C ATOM 1408 CE2 PHE A 88 6.241 -11.262 -0.246 1.00 0.00 C ATOM 1409 CZ PHE A 88 7.504 -11.540 -0.731 1.00 0.00 C ATOM 0 H PHE A 88 2.686 -10.748 -5.357 1.00 0.00 H new ATOM 0 HA PHE A 88 4.902 -12.446 -4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.513 -9.987 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 88 3.380 -10.577 -2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.854 -11.402 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.215 -10.818 -0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 88 8.709 -11.809 -2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.068 -11.222 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.319 -11.717 -0.045 1.00 0.00 H new ATOM 1419 N LEU A 89 1.959 -13.140 -3.516 1.00 0.00 N ATOM 1420 CA LEU A 89 1.197 -14.148 -2.787 1.00 0.00 C ATOM 1421 C LEU A 89 1.235 -15.458 -3.567 1.00 0.00 C ATOM 1422 O LEU A 89 1.445 -16.533 -3.006 1.00 0.00 O ATOM 1423 CB LEU A 89 -0.259 -13.696 -2.584 1.00 0.00 C ATOM 1424 CG LEU A 89 -0.489 -12.600 -1.532 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -1.898 -12.695 -0.971 1.00 0.00 C ATOM 1426 CD2 LEU A 89 0.535 -12.691 -0.407 1.00 0.00 C ATOM 0 H LEU A 89 1.390 -12.459 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 89 1.644 -14.289 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.643 -13.340 -3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.853 -14.567 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.367 -11.634 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.047 -11.913 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.620 -12.570 -1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.039 -13.670 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.346 -11.903 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.454 -13.663 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.538 -12.573 -0.817 1.00 0.00 H new ATOM 1438 N LYS A 90 1.026 -15.339 -4.871 1.00 0.00 N ATOM 1439 CA LYS A 90 1.025 -16.491 -5.763 1.00 0.00 C ATOM 1440 C LYS A 90 2.422 -17.096 -5.896 1.00 0.00 C ATOM 1441 O LYS A 90 2.567 -18.308 -6.052 1.00 0.00 O ATOM 1442 CB LYS A 90 0.493 -16.091 -7.142 1.00 0.00 C ATOM 1443 CG LYS A 90 -0.604 -17.008 -7.661 1.00 0.00 C ATOM 1444 CD LYS A 90 -1.804 -17.026 -6.725 1.00 0.00 C ATOM 1445 CE LYS A 90 -2.930 -16.143 -7.241 1.00 0.00 C ATOM 1446 NZ LYS A 90 -3.317 -15.103 -6.247 1.00 0.00 N ATOM 0 H LYS A 90 0.854 -14.449 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 90 0.371 -17.248 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.110 -15.072 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.319 -16.087 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.918 -16.677 -8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.212 -18.019 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.164 -18.049 -6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.499 -16.687 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.619 -15.662 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.797 -16.760 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.087 -14.521 -6.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.638 -15.562 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.497 -14.498 -6.040 1.00 0.00 H new ATOM 1460 N SER A 91 3.446 -16.246 -5.858 1.00 0.00 N ATOM 1461 CA SER A 91 4.826 -16.709 -6.002 1.00 0.00 C ATOM 1462 C SER A 91 5.563 -16.801 -4.662 1.00 0.00 C ATOM 1463 O SER A 91 6.751 -17.123 -4.634 1.00 0.00 O ATOM 1464 CB SER A 91 5.590 -15.781 -6.948 1.00 0.00 C ATOM 1465 OG SER A 91 5.817 -14.516 -6.349 1.00 0.00 O ATOM 0 H SER A 91 3.348 -15.239 -5.730 1.00 0.00 H new ATOM 0 HA SER A 91 4.783 -17.716 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.543 -16.236 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.026 -15.653 -7.872 1.00 0.00 H new ATOM 0 HG SER A 91 4.961 -14.125 -6.077 1.00 0.00 H new ATOM 1471 N HIS A 92 4.887 -16.474 -3.562 1.00 0.00 N ATOM 1472 CA HIS A 92 5.538 -16.481 -2.249 1.00 0.00 C ATOM 1473 C HIS A 92 6.259 -17.800 -1.977 1.00 0.00 C ATOM 1474 O HIS A 92 5.646 -18.863 -1.881 1.00 0.00 O ATOM 1475 CB HIS A 92 4.516 -16.227 -1.137 1.00 0.00 C ATOM 1476 CG HIS A 92 5.140 -15.772 0.144 1.00 0.00 C ATOM 1477 ND1 HIS A 92 6.056 -14.743 0.211 1.00 0.00 N ATOM 1478 CD2 HIS A 92 4.980 -16.212 1.415 1.00 0.00 C ATOM 1479 CE1 HIS A 92 6.435 -14.572 1.466 1.00 0.00 C ATOM 1480 NE2 HIS A 92 5.795 -15.450 2.216 1.00 0.00 N ATOM 0 H HIS A 92 3.903 -16.204 -3.550 1.00 0.00 H new ATOM 0 HA HIS A 92 6.277 -15.680 -2.259 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.802 -15.475 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.953 -17.142 -0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 92 6.389 -14.198 -0.584 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.332 -17.013 1.738 1.00 0.00 H new ATOM 0 HE1 HIS A 92 7.146 -13.839 1.818 1.00 0.00 H new ATOM 1489 N GLU A 93 7.583 -17.696 -1.882 1.00 0.00 N ATOM 1490 CA GLU A 93 8.460 -18.840 -1.653 1.00 0.00 C ATOM 1491 C GLU A 93 8.027 -19.694 -0.464 1.00 0.00 C ATOM 1492 O GLU A 93 7.304 -19.241 0.424 1.00 0.00 O ATOM 1493 CB GLU A 93 9.896 -18.356 -1.437 1.00 0.00 C ATOM 1494 CG GLU A 93 10.936 -19.205 -2.148 1.00 0.00 C ATOM 1495 CD GLU A 93 10.849 -19.088 -3.657 1.00 0.00 C ATOM 1496 OE1 GLU A 93 11.349 -18.082 -4.205 1.00 0.00 O ATOM 1497 OE2 GLU A 93 10.280 -20.001 -4.291 1.00 0.00 O ATOM 0 H GLU A 93 8.080 -16.809 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 93 8.398 -19.469 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.980 -17.326 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.112 -18.350 -0.369 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.931 -18.904 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.807 -20.248 -1.860 1.00 0.00 H new ATOM 1504 N LEU A 94 8.498 -20.938 -0.473 1.00 0.00 N ATOM 1505 CA LEU A 94 8.199 -21.902 0.583 1.00 0.00 C ATOM 1506 C LEU A 94 8.409 -21.287 1.965 1.00 0.00 C ATOM 1507 O LEU A 94 7.486 -21.381 2.800 1.00 0.00 O ATOM 1508 CB LEU A 94 9.082 -23.142 0.429 1.00 0.00 C ATOM 1509 CG LEU A 94 10.580 -22.855 0.290 1.00 0.00 C ATOM 1510 CD1 LEU A 94 11.264 -22.906 1.648 1.00 0.00 C ATOM 1511 CD2 LEU A 94 11.225 -23.842 -0.671 1.00 0.00 C ATOM 1512 OXT LEU A 94 9.497 -20.720 2.200 1.00 0.00 O ATOM 0 H LEU A 94 9.097 -21.306 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 94 7.152 -22.189 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.930 -23.788 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.751 -23.699 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 94 10.701 -21.851 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 94 12.327 -22.700 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.821 -22.159 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 94 11.134 -23.896 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 94 12.289 -23.623 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 11.093 -24.856 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.756 -23.755 -1.651 1.00 0.00 H new TER 1524 LEU A 94