USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 654 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 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot 13:sc= 0.183 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.14) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0064 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 15 SER OG : rot 180:sc= -0.372 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= -5.58! (180deg=-11.4!) USER MOD Single : A 25 GLN : amide:sc= -1.41 K(o=-1.4,f=-7.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.13) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.433! F(o=-1.3,f=-0.43!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -154:sc= 0.861 USER MOD Single : A 62 SER OG : rot -158:sc= -1.23! USER MOD Single : A 65 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.126 F(o=-0.96,f=-0.13) USER MOD Single : A 77 TYR OH : rot -54:sc= -0.883 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 70:sc= 0.297 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -70:sc= -1.18 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.555 K(o=-0.56,f=-5.1!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.468 3.330 3.119 1.00 0.00 N ATOM 44 CA LEU A 3 -15.108 2.814 2.901 1.00 0.00 C ATOM 45 C LEU A 3 -14.073 3.672 3.633 1.00 0.00 C ATOM 46 O LEU A 3 -13.994 4.884 3.421 1.00 0.00 O ATOM 47 CB LEU A 3 -14.757 2.719 1.391 1.00 0.00 C ATOM 48 CG LEU A 3 -15.587 3.594 0.430 1.00 0.00 C ATOM 49 CD1 LEU A 3 -14.777 3.963 -0.804 1.00 0.00 C ATOM 50 CD2 LEU A 3 -16.867 2.876 0.023 1.00 0.00 C ATOM 0 HA LEU A 3 -15.081 1.805 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.706 2.982 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.863 1.679 1.082 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.852 4.512 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -15.384 4.580 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.889 4.518 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.477 3.055 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.439 3.509 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.616 1.941 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.463 2.663 0.911 1.00 0.00 H new ATOM 62 N GLN A 4 -13.273 3.022 4.484 1.00 0.00 N ATOM 63 CA GLN A 4 -12.219 3.692 5.249 1.00 0.00 C ATOM 64 C GLN A 4 -10.894 2.967 5.030 1.00 0.00 C ATOM 65 O GLN A 4 -10.884 1.752 4.814 1.00 0.00 O ATOM 66 CB GLN A 4 -12.569 3.702 6.736 1.00 0.00 C ATOM 67 CG GLN A 4 -11.797 4.734 7.541 1.00 0.00 C ATOM 68 CD GLN A 4 -12.132 6.160 7.145 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.254 6.924 6.748 1.00 0.00 O ATOM 70 NE2 GLN A 4 -13.408 6.531 7.250 1.00 0.00 N ATOM 0 H GLN A 4 -13.338 2.020 4.661 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.129 4.723 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.636 3.893 6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.377 2.713 7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -12.012 4.596 8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.728 4.566 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -14.106 5.867 7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.686 7.479 6.997 1.00 0.00 H new ATOM 79 N VAL A 5 -9.782 3.713 5.067 1.00 0.00 N ATOM 80 CA VAL A 5 -8.453 3.124 4.844 1.00 0.00 C ATOM 81 C VAL A 5 -7.384 3.817 5.693 1.00 0.00 C ATOM 82 O VAL A 5 -7.465 5.021 5.942 1.00 0.00 O ATOM 83 CB VAL A 5 -8.026 3.209 3.353 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.856 2.279 3.078 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.185 2.885 2.412 1.00 0.00 C ATOM 0 H VAL A 5 -9.774 4.717 5.248 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.533 2.077 5.137 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.718 4.237 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.571 2.353 2.028 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.010 2.563 3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.146 1.253 3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.845 2.956 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.542 1.874 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.996 3.594 2.576 1.00 0.00 H new ATOM 95 N ASP A 6 -6.372 3.046 6.119 1.00 0.00 N ATOM 96 CA ASP A 6 -5.272 3.581 6.924 1.00 0.00 C ATOM 97 C ASP A 6 -4.061 2.651 6.853 1.00 0.00 C ATOM 98 O ASP A 6 -4.179 1.460 7.128 1.00 0.00 O ATOM 99 CB ASP A 6 -5.705 3.761 8.381 1.00 0.00 C ATOM 100 CG ASP A 6 -6.479 5.046 8.602 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.852 6.127 8.590 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.711 4.973 8.788 1.00 0.00 O ATOM 0 H ASP A 6 -6.296 2.049 5.917 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.997 4.555 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.321 2.913 8.681 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.823 3.757 9.022 1.00 0.00 H new ATOM 107 N ILE A 7 -2.901 3.201 6.484 1.00 0.00 N ATOM 108 CA ILE A 7 -1.667 2.411 6.374 1.00 0.00 C ATOM 109 C ILE A 7 -0.823 2.549 7.643 1.00 0.00 C ATOM 110 O ILE A 7 -0.711 3.639 8.208 1.00 0.00 O ATOM 111 CB ILE A 7 -0.832 2.819 5.127 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.720 2.818 3.874 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.360 1.879 4.929 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.047 3.393 2.647 1.00 0.00 C ATOM 0 H ILE A 7 -2.788 4.189 6.256 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.958 1.368 6.254 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.446 3.825 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.030 1.795 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.625 3.389 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.925 2.189 4.050 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.004 1.918 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.000 0.860 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.737 3.358 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.762 4.427 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.157 2.809 2.413 1.00 0.00 H new ATOM 126 N VAL A 8 -0.234 1.430 8.084 1.00 0.00 N ATOM 127 CA VAL A 8 0.600 1.401 9.285 1.00 0.00 C ATOM 128 C VAL A 8 1.961 0.748 8.965 1.00 0.00 C ATOM 129 O VAL A 8 1.990 -0.331 8.366 1.00 0.00 O ATOM 130 CB VAL A 8 -0.091 0.611 10.431 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.714 0.690 11.724 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.512 1.114 10.663 1.00 0.00 C ATOM 0 H VAL A 8 -0.323 0.526 7.619 1.00 0.00 H new ATOM 0 HA VAL A 8 0.750 2.429 9.613 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.139 -0.433 10.123 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.203 0.127 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.706 0.268 11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.809 1.732 12.030 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.972 0.544 11.470 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.485 2.169 10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.096 0.988 9.751 1.00 0.00 H new ATOM 142 N PRO A 9 3.116 1.368 9.347 1.00 0.00 N ATOM 143 CA PRO A 9 3.192 2.659 10.066 1.00 0.00 C ATOM 144 C PRO A 9 2.885 3.851 9.157 1.00 0.00 C ATOM 145 O PRO A 9 2.766 3.694 7.940 1.00 0.00 O ATOM 146 CB PRO A 9 4.645 2.705 10.542 1.00 0.00 C ATOM 147 CG PRO A 9 5.387 1.936 9.508 1.00 0.00 C ATOM 148 CD PRO A 9 4.466 0.824 9.086 1.00 0.00 C ATOM 0 HA PRO A 9 2.461 2.725 10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.009 3.730 10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.756 2.256 11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.648 2.570 8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.320 1.540 9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.599 0.571 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.648 -0.086 9.658 1.00 0.00 H new ATOM 156 N SER A 10 2.769 5.040 9.759 1.00 0.00 N ATOM 157 CA SER A 10 2.488 6.264 9.006 1.00 0.00 C ATOM 158 C SER A 10 3.697 6.655 8.158 1.00 0.00 C ATOM 159 O SER A 10 3.578 6.846 6.946 1.00 0.00 O ATOM 160 CB SER A 10 2.122 7.408 9.958 1.00 0.00 C ATOM 161 OG SER A 10 3.036 7.483 11.040 1.00 0.00 O ATOM 0 H SER A 10 2.866 5.179 10.765 1.00 0.00 H new ATOM 0 HA SER A 10 1.641 6.075 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.120 8.352 9.413 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.112 7.258 10.340 1.00 0.00 H new ATOM 0 HG SER A 10 2.782 8.221 11.632 1.00 0.00 H new ATOM 167 N GLN A 11 4.864 6.760 8.805 1.00 0.00 N ATOM 168 CA GLN A 11 6.112 7.114 8.121 1.00 0.00 C ATOM 169 C GLN A 11 7.214 6.122 8.487 1.00 0.00 C ATOM 170 O GLN A 11 7.712 6.124 9.616 1.00 0.00 O ATOM 171 CB GLN A 11 6.541 8.545 8.477 1.00 0.00 C ATOM 172 CG GLN A 11 6.513 8.856 9.969 1.00 0.00 C ATOM 173 CD GLN A 11 6.886 10.298 10.268 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.298 11.226 9.715 1.00 0.00 O ATOM 175 NE2 GLN A 11 7.869 10.497 11.145 1.00 0.00 N ATOM 0 H GLN A 11 4.969 6.604 9.807 1.00 0.00 H new ATOM 0 HA GLN A 11 5.940 7.067 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.550 8.713 8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.887 9.247 7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.516 8.653 10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.202 8.190 10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.332 9.700 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.159 11.446 11.379 1.00 0.00 H new ATOM 184 N GLY A 12 7.573 5.259 7.526 1.00 0.00 N ATOM 185 CA GLY A 12 8.595 4.250 7.757 1.00 0.00 C ATOM 186 C GLY A 12 9.992 4.700 7.364 1.00 0.00 C ATOM 187 O GLY A 12 10.156 5.611 6.553 1.00 0.00 O ATOM 0 H GLY A 12 7.169 5.246 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.593 3.978 8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.340 3.351 7.196 1.00 0.00 H new ATOM 191 N GLU A 13 11.000 4.031 7.934 1.00 0.00 N ATOM 192 CA GLU A 13 12.404 4.316 7.643 1.00 0.00 C ATOM 193 C GLU A 13 13.181 3.007 7.638 1.00 0.00 C ATOM 194 O GLU A 13 13.200 2.291 8.644 1.00 0.00 O ATOM 195 CB GLU A 13 12.996 5.282 8.670 1.00 0.00 C ATOM 196 CG GLU A 13 12.685 6.741 8.381 1.00 0.00 C ATOM 197 CD GLU A 13 13.164 7.666 9.483 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.402 7.883 10.449 1.00 0.00 O ATOM 199 OE2 GLU A 13 14.300 8.174 9.381 1.00 0.00 O ATOM 0 H GLU A 13 10.863 3.278 8.609 1.00 0.00 H new ATOM 0 HA GLU A 13 12.475 4.793 6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.615 5.027 9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.077 5.149 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.153 7.029 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.609 6.861 8.252 1.00 0.00 H new ATOM 206 N ILE A 14 13.791 2.679 6.498 1.00 0.00 N ATOM 207 CA ILE A 14 14.535 1.428 6.352 1.00 0.00 C ATOM 208 C ILE A 14 15.832 1.657 5.568 1.00 0.00 C ATOM 209 O ILE A 14 15.992 2.685 4.921 1.00 0.00 O ATOM 210 CB ILE A 14 13.620 0.380 5.641 1.00 0.00 C ATOM 211 CG1 ILE A 14 12.362 0.120 6.495 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.341 -0.937 5.334 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.154 0.923 6.059 1.00 0.00 C ATOM 0 H ILE A 14 13.784 3.263 5.662 1.00 0.00 H new ATOM 0 HA ILE A 14 14.816 1.050 7.335 1.00 0.00 H new ATOM 0 HB ILE A 14 13.334 0.805 4.679 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.117 -0.941 6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.586 0.353 7.536 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.652 -1.623 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.191 -0.743 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.694 -1.384 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.308 0.688 6.705 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.380 1.987 6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.904 0.673 5.028 1.00 0.00 H new ATOM 225 N SER A 15 16.756 0.690 5.638 1.00 0.00 N ATOM 226 CA SER A 15 18.033 0.778 4.930 1.00 0.00 C ATOM 227 C SER A 15 17.994 -0.087 3.669 1.00 0.00 C ATOM 228 O SER A 15 17.209 -1.040 3.582 1.00 0.00 O ATOM 229 CB SER A 15 19.197 0.340 5.839 1.00 0.00 C ATOM 230 OG SER A 15 18.743 -0.433 6.939 1.00 0.00 O ATOM 0 H SER A 15 16.639 -0.165 6.182 1.00 0.00 H new ATOM 0 HA SER A 15 18.196 1.817 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.914 -0.240 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.723 1.221 6.206 1.00 0.00 H new ATOM 0 HG SER A 15 19.508 -0.695 7.493 1.00 0.00 H new ATOM 236 N VAL A 16 18.864 0.234 2.702 1.00 0.00 N ATOM 237 CA VAL A 16 18.941 -0.526 1.450 1.00 0.00 C ATOM 238 C VAL A 16 19.380 -1.963 1.743 1.00 0.00 C ATOM 239 O VAL A 16 20.245 -2.191 2.597 1.00 0.00 O ATOM 240 CB VAL A 16 19.906 0.138 0.427 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.884 -0.585 -0.921 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.558 1.613 0.234 1.00 0.00 C ATOM 0 H VAL A 16 19.521 1.012 2.763 1.00 0.00 H new ATOM 0 HA VAL A 16 17.948 -0.534 1.000 1.00 0.00 H new ATOM 0 HB VAL A 16 20.914 0.061 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.571 -0.092 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.191 -1.622 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.875 -0.557 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.245 2.058 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.537 1.700 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.643 2.135 1.187 1.00 0.00 H new ATOM 252 N GLY A 17 18.747 -2.924 1.064 1.00 0.00 N ATOM 253 CA GLY A 17 19.048 -4.330 1.293 1.00 0.00 C ATOM 254 C GLY A 17 18.110 -4.968 2.317 1.00 0.00 C ATOM 255 O GLY A 17 18.040 -6.195 2.409 1.00 0.00 O ATOM 0 H GLY A 17 18.030 -2.751 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.975 -4.872 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.078 -4.427 1.638 1.00 0.00 H new ATOM 259 N GLU A 18 17.378 -4.135 3.083 1.00 0.00 N ATOM 260 CA GLU A 18 16.436 -4.625 4.087 1.00 0.00 C ATOM 261 C GLU A 18 15.026 -4.590 3.506 1.00 0.00 C ATOM 262 O GLU A 18 14.791 -3.915 2.498 1.00 0.00 O ATOM 263 CB GLU A 18 16.499 -3.766 5.360 1.00 0.00 C ATOM 264 CG GLU A 18 17.901 -3.370 5.798 1.00 0.00 C ATOM 265 CD GLU A 18 18.687 -4.530 6.376 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.458 -4.874 7.555 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.532 -5.096 5.650 1.00 0.00 O ATOM 0 H GLU A 18 17.427 -3.118 3.019 1.00 0.00 H new ATOM 0 HA GLU A 18 16.702 -5.648 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.915 -2.860 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.021 -4.312 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.441 -2.961 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.833 -2.577 6.542 1.00 0.00 H new ATOM 274 N SER A 19 14.089 -5.318 4.124 1.00 0.00 N ATOM 275 CA SER A 19 12.707 -5.363 3.635 1.00 0.00 C ATOM 276 C SER A 19 11.778 -4.485 4.481 1.00 0.00 C ATOM 277 O SER A 19 12.171 -4.001 5.544 1.00 0.00 O ATOM 278 CB SER A 19 12.207 -6.808 3.597 1.00 0.00 C ATOM 279 OG SER A 19 12.312 -7.421 4.870 1.00 0.00 O ATOM 0 H SER A 19 14.261 -5.880 4.958 1.00 0.00 H new ATOM 0 HA SER A 19 12.696 -4.961 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.169 -6.828 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.785 -7.376 2.868 1.00 0.00 H new ATOM 0 HG SER A 19 11.984 -8.343 4.817 1.00 0.00 H new ATOM 285 N LYS A 20 10.553 -4.263 3.982 1.00 0.00 N ATOM 286 CA LYS A 20 9.569 -3.415 4.674 1.00 0.00 C ATOM 287 C LYS A 20 8.158 -3.634 4.127 1.00 0.00 C ATOM 288 O LYS A 20 7.908 -3.407 2.942 1.00 0.00 O ATOM 289 CB LYS A 20 9.931 -1.915 4.537 1.00 0.00 C ATOM 290 CG LYS A 20 10.558 -1.536 3.190 1.00 0.00 C ATOM 291 CD LYS A 20 9.916 -0.294 2.562 1.00 0.00 C ATOM 292 CE LYS A 20 10.925 0.561 1.792 1.00 0.00 C ATOM 293 NZ LYS A 20 10.381 1.071 0.491 1.00 0.00 N ATOM 0 H LYS A 20 10.220 -4.658 3.103 1.00 0.00 H new ATOM 0 HA LYS A 20 9.593 -3.701 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.029 -1.321 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.623 -1.646 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.624 -1.357 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.463 -2.376 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.117 -0.603 1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.456 0.309 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.226 1.406 2.411 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.822 -0.028 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.847 0.578 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.357 0.897 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.561 2.092 0.416 1.00 0.00 H new ATOM 307 N PHE A 21 7.231 -4.037 5.006 1.00 0.00 N ATOM 308 CA PHE A 21 5.829 -4.247 4.615 1.00 0.00 C ATOM 309 C PHE A 21 4.919 -3.252 5.325 1.00 0.00 C ATOM 310 O PHE A 21 5.143 -2.919 6.491 1.00 0.00 O ATOM 311 CB PHE A 21 5.366 -5.686 4.883 1.00 0.00 C ATOM 312 CG PHE A 21 5.373 -6.109 6.324 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.332 -5.761 7.173 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.420 -6.864 6.821 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.339 -6.160 8.496 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.434 -7.267 8.144 1.00 0.00 C ATOM 317 CZ PHE A 21 5.391 -6.914 8.983 1.00 0.00 C ATOM 0 H PHE A 21 7.425 -4.224 5.990 1.00 0.00 H new ATOM 0 HA PHE A 21 5.764 -4.079 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.355 -5.802 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.005 -6.366 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.508 -5.173 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.235 -7.142 6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.524 -5.883 9.149 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.257 -7.856 8.522 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.399 -7.227 10.017 1.00 0.00 H new ATOM 327 N PHE A 22 3.895 -2.770 4.610 1.00 0.00 N ATOM 328 CA PHE A 22 2.949 -1.790 5.170 1.00 0.00 C ATOM 329 C PHE A 22 1.531 -2.347 5.204 1.00 0.00 C ATOM 330 O PHE A 22 0.964 -2.696 4.173 1.00 0.00 O ATOM 331 CB PHE A 22 3.029 -0.490 4.374 1.00 0.00 C ATOM 332 CG PHE A 22 4.399 0.108 4.459 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.380 -0.253 3.551 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.720 0.989 5.477 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.657 0.261 3.653 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.998 1.499 5.591 1.00 0.00 C ATOM 337 CZ PHE A 22 6.969 1.136 4.679 1.00 0.00 C ATOM 0 H PHE A 22 3.699 -3.040 3.646 1.00 0.00 H new ATOM 0 HA PHE A 22 3.226 -1.579 6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.776 -0.682 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.294 0.220 4.755 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.144 -0.944 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.963 1.281 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.412 -0.019 2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.238 2.181 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.969 1.534 4.766 1.00 0.00 H new ATOM 347 N LEU A 23 0.978 -2.455 6.415 1.00 0.00 N ATOM 348 CA LEU A 23 -0.360 -3.016 6.607 1.00 0.00 C ATOM 349 C LEU A 23 -1.478 -2.023 6.288 1.00 0.00 C ATOM 350 O LEU A 23 -1.633 -1.014 6.967 1.00 0.00 O ATOM 351 CB LEU A 23 -0.502 -3.507 8.048 1.00 0.00 C ATOM 352 CG LEU A 23 -1.623 -4.512 8.276 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.389 -5.767 7.441 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.726 -4.862 9.752 1.00 0.00 C ATOM 0 H LEU A 23 1.437 -2.161 7.277 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.465 -3.844 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.440 -3.960 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.669 -2.646 8.695 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.565 -4.062 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.199 -6.476 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.360 -5.501 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.441 -6.222 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.531 -5.581 9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.785 -5.296 10.089 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.935 -3.959 10.326 1.00 0.00 H new ATOM 366 N CYS A 24 -2.282 -2.345 5.266 1.00 0.00 N ATOM 367 CA CYS A 24 -3.411 -1.498 4.870 1.00 0.00 C ATOM 368 C CYS A 24 -4.705 -2.026 5.468 1.00 0.00 C ATOM 369 O CYS A 24 -5.296 -2.979 4.945 1.00 0.00 O ATOM 370 CB CYS A 24 -3.545 -1.418 3.349 1.00 0.00 C ATOM 371 SG CYS A 24 -4.549 -0.017 2.762 1.00 0.00 S ATOM 0 H CYS A 24 -2.170 -3.186 4.700 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.217 -0.495 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.550 -1.346 2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.987 -2.345 2.985 1.00 0.00 H new ATOM 376 N GLN A 25 -5.144 -1.391 6.557 1.00 0.00 N ATOM 377 CA GLN A 25 -6.377 -1.767 7.231 1.00 0.00 C ATOM 378 C GLN A 25 -7.528 -0.955 6.657 1.00 0.00 C ATOM 379 O GLN A 25 -7.303 0.103 6.060 1.00 0.00 O ATOM 380 CB GLN A 25 -6.262 -1.532 8.743 1.00 0.00 C ATOM 381 CG GLN A 25 -5.240 -2.433 9.433 1.00 0.00 C ATOM 382 CD GLN A 25 -3.901 -1.748 9.674 1.00 0.00 C ATOM 383 OE1 GLN A 25 -3.445 -0.951 8.856 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.261 -2.057 10.802 1.00 0.00 N ATOM 0 H GLN A 25 -4.655 -0.608 6.990 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.563 -2.829 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.992 -0.491 8.919 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.239 -1.690 9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.646 -2.768 10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.081 -3.323 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.672 -2.723 11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.360 -1.627 11.011 1.00 0.00 H new ATOM 393 N VAL A 26 -8.756 -1.449 6.824 1.00 0.00 N ATOM 394 CA VAL A 26 -9.935 -0.761 6.300 1.00 0.00 C ATOM 395 C VAL A 26 -11.065 -0.710 7.328 1.00 0.00 C ATOM 396 O VAL A 26 -10.967 -1.313 8.399 1.00 0.00 O ATOM 397 CB VAL A 26 -10.437 -1.446 5.001 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.354 -1.396 3.930 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.883 -2.895 5.254 1.00 0.00 C ATOM 0 H VAL A 26 -8.959 -2.319 7.316 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.636 0.263 6.074 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.310 -0.896 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.717 -1.879 3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.105 -0.357 3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.465 -1.915 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.227 -3.338 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.043 -3.472 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.695 -2.904 5.981 1.00 0.00 H new ATOM 409 N ALA A 27 -12.142 0.001 6.983 1.00 0.00 N ATOM 410 CA ALA A 27 -13.302 0.119 7.860 1.00 0.00 C ATOM 411 C ALA A 27 -14.542 0.522 7.066 1.00 0.00 C ATOM 412 O ALA A 27 -14.572 1.589 6.446 1.00 0.00 O ATOM 413 CB ALA A 27 -13.029 1.106 8.991 1.00 0.00 C ATOM 0 H ALA A 27 -12.231 0.503 6.100 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.492 -0.857 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.908 1.177 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.179 0.760 9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.805 2.087 8.572 1.00 0.00 H new ATOM 504 N ASP A 34 -12.934 -3.011 -2.861 1.00 0.00 N ATOM 505 CA ASP A 34 -11.702 -3.525 -3.466 1.00 0.00 C ATOM 506 C ASP A 34 -10.499 -2.752 -2.932 1.00 0.00 C ATOM 507 O ASP A 34 -10.676 -1.722 -2.287 1.00 0.00 O ATOM 508 CB ASP A 34 -11.768 -3.400 -4.988 1.00 0.00 C ATOM 509 CG ASP A 34 -12.673 -4.444 -5.614 1.00 0.00 C ATOM 510 OD1 ASP A 34 -12.641 -5.606 -5.158 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.414 -4.099 -6.558 1.00 0.00 O ATOM 0 HA ASP A 34 -11.595 -4.578 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.127 -2.406 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.764 -3.497 -5.402 1.00 0.00 H new ATOM 516 N ILE A 35 -9.283 -3.254 -3.201 1.00 0.00 N ATOM 517 CA ILE A 35 -8.043 -2.610 -2.741 1.00 0.00 C ATOM 518 C ILE A 35 -7.045 -2.452 -3.901 1.00 0.00 C ATOM 519 O ILE A 35 -7.062 -3.228 -4.858 1.00 0.00 O ATOM 520 CB ILE A 35 -7.380 -3.423 -1.586 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.345 -3.560 -0.402 1.00 0.00 C ATOM 522 CG2 ILE A 35 -6.070 -2.784 -1.113 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.401 -4.633 -0.584 1.00 0.00 C ATOM 0 H ILE A 35 -9.133 -4.108 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.309 -1.622 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.148 -4.411 -1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.770 -3.780 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.840 -2.603 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.643 -3.383 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.366 -2.738 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.268 -1.776 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.042 -4.665 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.003 -4.405 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.917 -5.601 -0.716 1.00 0.00 H new ATOM 535 N SER A 36 -6.170 -1.445 -3.785 1.00 0.00 N ATOM 536 CA SER A 36 -5.148 -1.173 -4.795 1.00 0.00 C ATOM 537 C SER A 36 -3.933 -0.496 -4.154 1.00 0.00 C ATOM 538 O SER A 36 -4.040 0.061 -3.060 1.00 0.00 O ATOM 539 CB SER A 36 -5.719 -0.287 -5.903 1.00 0.00 C ATOM 540 OG SER A 36 -6.574 -1.026 -6.760 1.00 0.00 O ATOM 0 H SER A 36 -6.153 -0.802 -2.993 1.00 0.00 H new ATOM 0 HA SER A 36 -4.832 -2.120 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.271 0.542 -5.461 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.904 0.146 -6.483 1.00 0.00 H new ATOM 0 HG SER A 36 -6.778 -1.893 -6.350 1.00 0.00 H new ATOM 546 N TRP A 37 -2.779 -0.544 -4.838 1.00 0.00 N ATOM 547 CA TRP A 37 -1.542 0.071 -4.333 1.00 0.00 C ATOM 548 C TRP A 37 -0.864 0.902 -5.424 1.00 0.00 C ATOM 549 O TRP A 37 -0.683 0.424 -6.550 1.00 0.00 O ATOM 550 CB TRP A 37 -0.573 -1.005 -3.822 1.00 0.00 C ATOM 551 CG TRP A 37 -0.851 -1.450 -2.413 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.616 -2.515 -2.034 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.372 -0.848 -1.198 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.639 -2.618 -0.664 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.886 -1.608 -0.128 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.441 0.255 -0.907 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.612 -1.301 1.205 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.706 0.560 0.418 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.184 -0.217 1.457 1.00 0.00 C ATOM 0 H TRP A 37 -2.677 -1.003 -5.743 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.809 0.729 -3.506 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.623 -1.870 -4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.445 -0.620 -3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.129 -3.180 -2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.137 -3.332 -0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.854 0.858 -1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.014 -1.898 2.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.326 1.412 0.653 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.414 0.044 2.479 1.00 0.00 H new ATOM 570 N PHE A 38 -0.491 2.153 -5.094 1.00 0.00 N ATOM 571 CA PHE A 38 0.161 3.043 -6.070 1.00 0.00 C ATOM 572 C PHE A 38 1.530 3.533 -5.607 1.00 0.00 C ATOM 573 O PHE A 38 1.642 4.235 -4.602 1.00 0.00 O ATOM 574 CB PHE A 38 -0.740 4.238 -6.388 1.00 0.00 C ATOM 575 CG PHE A 38 -2.074 3.839 -6.950 1.00 0.00 C ATOM 576 CD1 PHE A 38 -3.090 3.427 -6.109 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.308 3.864 -8.317 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.317 3.048 -6.618 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.533 3.488 -8.831 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.538 3.078 -7.979 1.00 0.00 C ATOM 0 H PHE A 38 -0.628 2.565 -4.171 1.00 0.00 H new ATOM 0 HA PHE A 38 0.321 2.451 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.895 4.820 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.232 4.888 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.923 3.401 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.523 4.181 -8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.103 2.728 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.704 3.515 -9.897 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.497 2.781 -8.378 1.00 0.00 H new ATOM 590 N SER A 39 2.574 3.171 -6.374 1.00 0.00 N ATOM 591 CA SER A 39 3.939 3.580 -6.070 1.00 0.00 C ATOM 592 C SER A 39 4.093 5.110 -6.126 1.00 0.00 C ATOM 593 O SER A 39 3.328 5.783 -6.856 1.00 0.00 O ATOM 594 CB SER A 39 4.940 2.926 -7.027 1.00 0.00 C ATOM 595 OG SER A 39 4.739 3.371 -8.359 1.00 0.00 O ATOM 0 H SER A 39 2.488 2.593 -7.210 1.00 0.00 H new ATOM 0 HA SER A 39 4.153 3.246 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.956 3.161 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.835 1.842 -6.983 1.00 0.00 H new ATOM 0 HG SER A 39 5.392 2.940 -8.950 1.00 0.00 H new ATOM 601 N PRO A 40 5.083 5.669 -5.343 1.00 0.00 N ATOM 602 CA PRO A 40 5.359 7.124 -5.250 1.00 0.00 C ATOM 603 C PRO A 40 5.631 7.840 -6.575 1.00 0.00 C ATOM 604 O PRO A 40 5.627 9.075 -6.606 1.00 0.00 O ATOM 605 CB PRO A 40 6.605 7.205 -4.356 1.00 0.00 C ATOM 606 CG PRO A 40 6.578 5.958 -3.553 1.00 0.00 C ATOM 607 CD PRO A 40 6.011 4.909 -4.460 1.00 0.00 C ATOM 0 HA PRO A 40 4.473 7.631 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.515 7.272 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.576 8.088 -3.717 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.579 5.686 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.964 6.079 -2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.792 4.411 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.486 4.136 -3.899 1.00 0.00 H new ATOM 651 N LYS A 44 0.230 2.791 -10.328 1.00 0.00 N ATOM 652 CA LYS A 44 -0.039 1.530 -9.629 1.00 0.00 C ATOM 653 C LYS A 44 1.088 0.529 -9.854 1.00 0.00 C ATOM 654 O LYS A 44 1.735 0.539 -10.904 1.00 0.00 O ATOM 655 CB LYS A 44 -1.373 0.923 -10.070 1.00 0.00 C ATOM 656 CG LYS A 44 -2.002 0.034 -9.005 1.00 0.00 C ATOM 657 CD LYS A 44 -3.098 -0.851 -9.586 1.00 0.00 C ATOM 658 CE LYS A 44 -4.099 -1.283 -8.521 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.736 -2.588 -8.853 1.00 0.00 N ATOM 0 HA LYS A 44 -0.099 1.756 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.066 1.726 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.218 0.340 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.232 -0.590 -8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.418 0.655 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.619 -0.312 -10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.649 -1.733 -10.043 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.594 -1.360 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.870 -0.519 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.410 -2.846 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.240 -2.508 -9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.004 -3.323 -8.928 1.00 0.00 H new ATOM 673 N LEU A 45 1.315 -0.341 -8.861 1.00 0.00 N ATOM 674 CA LEU A 45 2.366 -1.363 -8.947 1.00 0.00 C ATOM 675 C LEU A 45 1.752 -2.758 -9.055 1.00 0.00 C ATOM 676 O LEU A 45 0.632 -2.988 -8.593 1.00 0.00 O ATOM 677 CB LEU A 45 3.318 -1.287 -7.740 1.00 0.00 C ATOM 678 CG LEU A 45 2.669 -1.010 -6.380 1.00 0.00 C ATOM 679 CD1 LEU A 45 1.823 -2.194 -5.935 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.737 -0.693 -5.341 1.00 0.00 C ATOM 0 H LEU A 45 0.785 -0.357 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 45 2.948 -1.167 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.862 -2.229 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.054 -0.506 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 45 2.014 -0.145 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.372 -1.975 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.038 -2.376 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.453 -3.080 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.262 -0.498 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.415 -1.541 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.299 0.187 -5.653 1.00 0.00 H new ATOM 692 N SER A 46 2.489 -3.680 -9.684 1.00 0.00 N ATOM 693 CA SER A 46 2.016 -5.051 -9.873 1.00 0.00 C ATOM 694 C SER A 46 2.193 -5.884 -8.596 1.00 0.00 C ATOM 695 O SER A 46 2.948 -5.493 -7.703 1.00 0.00 O ATOM 696 CB SER A 46 2.757 -5.713 -11.039 1.00 0.00 C ATOM 697 OG SER A 46 2.202 -5.323 -12.284 1.00 0.00 O ATOM 0 H SER A 46 3.416 -3.499 -10.070 1.00 0.00 H new ATOM 0 HA SER A 46 0.952 -5.008 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.812 -5.439 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.706 -6.797 -10.938 1.00 0.00 H new ATOM 0 HG SER A 46 2.694 -5.758 -13.012 1.00 0.00 H new ATOM 703 N PRO A 47 1.498 -7.052 -8.483 1.00 0.00 N ATOM 704 CA PRO A 47 1.594 -7.920 -7.303 1.00 0.00 C ATOM 705 C PRO A 47 2.926 -8.677 -7.232 1.00 0.00 C ATOM 706 O PRO A 47 3.387 -9.021 -6.142 1.00 0.00 O ATOM 707 CB PRO A 47 0.411 -8.904 -7.465 1.00 0.00 C ATOM 708 CG PRO A 47 -0.390 -8.391 -8.617 1.00 0.00 C ATOM 709 CD PRO A 47 0.568 -7.620 -9.476 1.00 0.00 C ATOM 0 HA PRO A 47 1.553 -7.343 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.768 -9.916 -7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.191 -8.945 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.841 -9.212 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.205 -7.754 -8.273 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.081 -8.263 -10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.063 -6.843 -10.051 1.00 0.00 H new ATOM 717 N ASN A 48 3.535 -8.941 -8.398 1.00 0.00 N ATOM 718 CA ASN A 48 4.807 -9.662 -8.461 1.00 0.00 C ATOM 719 C ASN A 48 5.739 -9.043 -9.512 1.00 0.00 C ATOM 720 O ASN A 48 5.961 -9.615 -10.586 1.00 0.00 O ATOM 721 CB ASN A 48 4.557 -11.145 -8.767 1.00 0.00 C ATOM 722 CG ASN A 48 3.728 -11.825 -7.691 1.00 0.00 C ATOM 723 OD1 ASN A 48 4.269 -12.343 -6.715 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.407 -11.828 -7.862 1.00 0.00 N ATOM 0 H ASN A 48 3.164 -8.665 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 48 5.297 -9.581 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.047 -11.235 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.513 -11.659 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.804 -12.271 -7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.998 -11.387 -8.686 1.00 0.00 H new ATOM 731 N GLN A 49 6.287 -7.865 -9.190 1.00 0.00 N ATOM 732 CA GLN A 49 7.199 -7.168 -10.097 1.00 0.00 C ATOM 733 C GLN A 49 8.602 -7.765 -9.988 1.00 0.00 C ATOM 734 O GLN A 49 9.078 -8.415 -10.920 1.00 0.00 O ATOM 735 CB GLN A 49 7.246 -5.658 -9.803 1.00 0.00 C ATOM 736 CG GLN A 49 5.881 -5.008 -9.581 1.00 0.00 C ATOM 737 CD GLN A 49 5.882 -4.004 -8.436 1.00 0.00 C ATOM 738 OE1 GLN A 49 6.750 -2.997 -8.523 1.00 0.00 O flip ATOM 739 NE2 GLN A 49 5.116 -4.138 -7.482 1.00 0.00 N flip ATOM 0 H GLN A 49 6.114 -7.378 -8.311 1.00 0.00 H new ATOM 0 HA GLN A 49 6.825 -7.299 -11.112 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.860 -5.493 -8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.742 -5.155 -10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.570 -4.506 -10.497 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.144 -5.784 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.467 -4.924 -7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.130 -3.463 -6.718 1.00 0.00 H new ATOM 748 N GLN A 50 9.254 -7.550 -8.837 1.00 0.00 N ATOM 749 CA GLN A 50 10.602 -8.073 -8.590 1.00 0.00 C ATOM 750 C GLN A 50 10.849 -8.187 -7.085 1.00 0.00 C ATOM 751 O GLN A 50 10.874 -9.286 -6.530 1.00 0.00 O ATOM 752 CB GLN A 50 11.711 -7.203 -9.251 1.00 0.00 C ATOM 753 CG GLN A 50 11.288 -6.435 -10.501 1.00 0.00 C ATOM 754 CD GLN A 50 12.392 -5.549 -11.068 1.00 0.00 C ATOM 755 OE1 GLN A 50 13.498 -5.484 -10.529 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.097 -4.855 -12.167 1.00 0.00 N ATOM 0 H GLN A 50 8.866 -7.015 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 50 10.655 -9.060 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.076 -6.488 -8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.549 -7.850 -9.510 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.973 -7.145 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.422 -5.817 -10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.171 -4.933 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.798 -4.245 -12.589 1.00 0.00 H new ATOM 765 N ARG A 51 11.027 -7.036 -6.441 1.00 0.00 N ATOM 766 CA ARG A 51 11.270 -6.962 -5.004 1.00 0.00 C ATOM 767 C ARG A 51 9.997 -6.609 -4.241 1.00 0.00 C ATOM 768 O ARG A 51 9.781 -7.098 -3.131 1.00 0.00 O ATOM 769 CB ARG A 51 12.362 -5.932 -4.722 1.00 0.00 C ATOM 770 CG ARG A 51 13.727 -6.352 -5.253 1.00 0.00 C ATOM 771 CD ARG A 51 14.565 -5.159 -5.694 1.00 0.00 C ATOM 772 NE ARG A 51 15.953 -5.540 -5.978 1.00 0.00 N ATOM 773 CZ ARG A 51 16.790 -4.858 -6.774 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.411 -3.737 -7.388 1.00 0.00 N ATOM 775 NH2 ARG A 51 18.025 -5.304 -6.955 1.00 0.00 N ATOM 0 H ARG A 51 11.007 -6.127 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 51 11.598 -7.943 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.081 -4.980 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.431 -5.769 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.262 -6.903 -4.480 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.594 -7.031 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.122 -4.713 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.550 -4.397 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 51 16.309 -6.388 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.465 -3.379 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.067 -3.237 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.332 -6.159 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.669 -4.792 -7.558 1.00 0.00 H new ATOM 789 N ILE A 52 9.157 -5.753 -4.838 1.00 0.00 N ATOM 790 CA ILE A 52 7.906 -5.336 -4.200 1.00 0.00 C ATOM 791 C ILE A 52 6.785 -6.339 -4.494 1.00 0.00 C ATOM 792 O ILE A 52 6.309 -6.439 -5.627 1.00 0.00 O ATOM 793 CB ILE A 52 7.477 -3.906 -4.640 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.633 -2.915 -4.406 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.224 -3.459 -3.882 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.340 -1.483 -4.823 1.00 0.00 C ATOM 0 H ILE A 52 9.321 -5.339 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 52 8.087 -5.312 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 52 7.239 -3.925 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.892 -2.924 -3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.509 -3.265 -4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.942 -2.457 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.407 -4.151 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.430 -3.451 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.211 -0.860 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.113 -1.454 -5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.486 -1.107 -4.259 1.00 0.00 H new ATOM 808 N SER A 53 6.368 -7.074 -3.456 1.00 0.00 N ATOM 809 CA SER A 53 5.304 -8.071 -3.574 1.00 0.00 C ATOM 810 C SER A 53 4.081 -7.656 -2.751 1.00 0.00 C ATOM 811 O SER A 53 4.168 -7.518 -1.529 1.00 0.00 O ATOM 812 CB SER A 53 5.816 -9.429 -3.097 1.00 0.00 C ATOM 813 OG SER A 53 4.985 -10.480 -3.558 1.00 0.00 O ATOM 0 H SER A 53 6.758 -6.993 -2.517 1.00 0.00 H new ATOM 0 HA SER A 53 5.007 -8.143 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.834 -9.583 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.855 -9.444 -2.008 1.00 0.00 H new ATOM 0 HG SER A 53 5.336 -11.338 -3.240 1.00 0.00 H new ATOM 819 N VAL A 54 2.944 -7.460 -3.429 1.00 0.00 N ATOM 820 CA VAL A 54 1.695 -7.064 -2.766 1.00 0.00 C ATOM 821 C VAL A 54 0.897 -8.302 -2.357 1.00 0.00 C ATOM 822 O VAL A 54 1.101 -9.383 -2.916 1.00 0.00 O ATOM 823 CB VAL A 54 0.809 -6.173 -3.680 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.334 -5.549 -2.887 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.633 -5.087 -4.367 1.00 0.00 C ATOM 0 H VAL A 54 2.863 -7.570 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 54 1.971 -6.486 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 54 0.386 -6.815 -4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.940 -4.930 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.953 -6.338 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.073 -4.933 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.983 -4.482 -4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.099 -4.453 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.406 -5.550 -4.980 1.00 0.00 H new ATOM 835 N VAL A 55 -0.014 -8.143 -1.385 1.00 0.00 N ATOM 836 CA VAL A 55 -0.836 -9.260 -0.922 1.00 0.00 C ATOM 837 C VAL A 55 -2.168 -8.776 -0.331 1.00 0.00 C ATOM 838 O VAL A 55 -2.257 -7.675 0.212 1.00 0.00 O ATOM 839 CB VAL A 55 -0.071 -10.128 0.119 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.278 -9.324 1.369 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.863 -11.381 0.491 1.00 0.00 C ATOM 0 H VAL A 55 -0.196 -7.258 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.056 -9.877 -1.793 1.00 0.00 H new ATOM 0 HB VAL A 55 0.861 -10.443 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.811 -9.961 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.910 -8.479 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.637 -8.957 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.300 -11.964 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.822 -11.091 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.033 -11.983 -0.402 1.00 0.00 H new ATOM 851 N TRP A 56 -3.184 -9.636 -0.418 1.00 0.00 N ATOM 852 CA TRP A 56 -4.508 -9.356 0.125 1.00 0.00 C ATOM 853 C TRP A 56 -4.857 -10.468 1.103 1.00 0.00 C ATOM 854 O TRP A 56 -5.138 -11.598 0.694 1.00 0.00 O ATOM 855 CB TRP A 56 -5.533 -9.256 -1.000 1.00 0.00 C ATOM 856 CG TRP A 56 -5.256 -8.106 -1.914 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.835 -6.870 -1.878 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.310 -8.076 -2.987 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.315 -6.078 -2.870 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.378 -6.796 -3.567 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.417 -9.012 -3.518 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.582 -6.427 -4.649 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.628 -8.643 -4.591 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.716 -7.361 -5.148 1.00 0.00 C ATOM 0 H TRP A 56 -3.108 -10.548 -0.869 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.515 -8.399 0.647 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.532 -10.183 -1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.530 -9.147 -0.573 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.592 -6.561 -1.172 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.582 -5.112 -3.058 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.345 -10.004 -3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.646 -5.438 -5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.931 -9.356 -5.007 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.088 -7.105 -5.988 1.00 0.00 H new ATOM 875 N ASN A 57 -4.775 -10.159 2.400 1.00 0.00 N ATOM 876 CA ASN A 57 -5.014 -11.155 3.449 1.00 0.00 C ATOM 877 C ASN A 57 -6.477 -11.203 3.901 1.00 0.00 C ATOM 878 O ASN A 57 -7.226 -12.081 3.468 1.00 0.00 O ATOM 879 CB ASN A 57 -4.075 -10.889 4.632 1.00 0.00 C ATOM 880 CG ASN A 57 -2.615 -11.103 4.274 1.00 0.00 C ATOM 881 OD1 ASN A 57 -2.150 -12.240 4.184 1.00 0.00 O ATOM 882 ND2 ASN A 57 -1.880 -10.012 4.068 1.00 0.00 N ATOM 0 H ASN A 57 -4.545 -9.228 2.749 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.799 -12.138 3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.214 -9.865 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.343 -11.546 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.893 -10.100 3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.304 -9.088 4.152 1.00 0.00 H new ATOM 889 N ASP A 58 -6.881 -10.274 4.779 1.00 0.00 N ATOM 890 CA ASP A 58 -8.254 -10.237 5.289 1.00 0.00 C ATOM 891 C ASP A 58 -9.243 -9.925 4.169 1.00 0.00 C ATOM 892 O ASP A 58 -8.849 -9.789 3.008 1.00 0.00 O ATOM 893 CB ASP A 58 -8.383 -9.204 6.414 1.00 0.00 C ATOM 894 CG ASP A 58 -7.583 -9.588 7.644 1.00 0.00 C ATOM 895 OD1 ASP A 58 -8.126 -10.320 8.499 1.00 0.00 O ATOM 896 OD2 ASP A 58 -6.415 -9.160 7.751 1.00 0.00 O ATOM 0 H ASP A 58 -6.276 -9.541 5.149 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.491 -11.222 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.045 -8.233 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.433 -9.096 6.686 1.00 0.00 H new ATOM 901 N ASP A 59 -10.531 -9.821 4.518 1.00 0.00 N ATOM 902 CA ASP A 59 -11.588 -9.534 3.539 1.00 0.00 C ATOM 903 C ASP A 59 -11.304 -8.257 2.742 1.00 0.00 C ATOM 904 O ASP A 59 -11.656 -8.169 1.564 1.00 0.00 O ATOM 905 CB ASP A 59 -12.939 -9.407 4.243 1.00 0.00 C ATOM 906 CG ASP A 59 -14.107 -9.643 3.304 1.00 0.00 C ATOM 907 OD1 ASP A 59 -14.097 -10.666 2.590 1.00 0.00 O ATOM 908 OD2 ASP A 59 -15.032 -8.804 3.285 1.00 0.00 O ATOM 0 H ASP A 59 -10.868 -9.932 5.474 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.612 -10.368 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.986 -10.123 5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.025 -8.413 4.682 1.00 0.00 H new ATOM 913 N ASP A 60 -10.670 -7.271 3.391 1.00 0.00 N ATOM 914 CA ASP A 60 -10.348 -5.998 2.732 1.00 0.00 C ATOM 915 C ASP A 60 -8.972 -5.428 3.132 1.00 0.00 C ATOM 916 O ASP A 60 -8.645 -4.304 2.742 1.00 0.00 O ATOM 917 CB ASP A 60 -11.441 -4.973 3.037 1.00 0.00 C ATOM 918 CG ASP A 60 -12.700 -5.218 2.229 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.586 -5.480 1.014 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.802 -5.147 2.813 1.00 0.00 O ATOM 0 H ASP A 60 -10.372 -7.329 4.365 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.299 -6.202 1.662 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.681 -5.007 4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.066 -3.971 2.827 1.00 0.00 H new ATOM 925 N SER A 61 -8.162 -6.190 3.890 1.00 0.00 N ATOM 926 CA SER A 61 -6.829 -5.728 4.304 1.00 0.00 C ATOM 927 C SER A 61 -5.761 -6.231 3.328 1.00 0.00 C ATOM 928 O SER A 61 -5.797 -7.393 2.904 1.00 0.00 O ATOM 929 CB SER A 61 -6.520 -6.179 5.744 1.00 0.00 C ATOM 930 OG SER A 61 -5.893 -7.453 5.789 1.00 0.00 O ATOM 0 H SER A 61 -8.407 -7.122 4.225 1.00 0.00 H new ATOM 0 HA SER A 61 -6.819 -4.638 4.285 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.875 -5.442 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.446 -6.212 6.318 1.00 0.00 H new ATOM 0 HG SER A 61 -6.077 -7.878 6.653 1.00 0.00 H new ATOM 936 N SER A 62 -4.823 -5.350 2.956 1.00 0.00 N ATOM 937 CA SER A 62 -3.763 -5.711 2.005 1.00 0.00 C ATOM 938 C SER A 62 -2.424 -5.095 2.404 1.00 0.00 C ATOM 939 O SER A 62 -2.355 -3.911 2.728 1.00 0.00 O ATOM 940 CB SER A 62 -4.164 -5.258 0.596 1.00 0.00 C ATOM 941 OG SER A 62 -5.574 -5.289 0.434 1.00 0.00 O ATOM 0 H SER A 62 -4.776 -4.389 3.296 1.00 0.00 H new ATOM 0 HA SER A 62 -3.641 -6.794 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.796 -4.248 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.695 -5.905 -0.145 1.00 0.00 H new ATOM 0 HG SER A 62 -5.793 -5.339 -0.520 1.00 0.00 H new ATOM 947 N THR A 63 -1.360 -5.913 2.385 1.00 0.00 N ATOM 948 CA THR A 63 -0.020 -5.458 2.760 1.00 0.00 C ATOM 949 C THR A 63 0.866 -5.217 1.534 1.00 0.00 C ATOM 950 O THR A 63 0.759 -5.920 0.530 1.00 0.00 O ATOM 951 CB THR A 63 0.637 -6.489 3.679 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.313 -7.036 4.578 1.00 0.00 O ATOM 953 CG2 THR A 63 1.770 -5.918 4.503 1.00 0.00 C ATOM 0 H THR A 63 -1.406 -6.895 2.113 1.00 0.00 H new ATOM 0 HA THR A 63 -0.126 -4.508 3.283 1.00 0.00 H new ATOM 0 HB THR A 63 1.040 -7.254 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.125 -7.695 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.192 -6.701 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.543 -5.530 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.392 -5.111 5.131 1.00 0.00 H new ATOM 961 N LEU A 64 1.750 -4.219 1.641 1.00 0.00 N ATOM 962 CA LEU A 64 2.682 -3.862 0.574 1.00 0.00 C ATOM 963 C LEU A 64 4.102 -4.204 1.003 1.00 0.00 C ATOM 964 O LEU A 64 4.751 -3.407 1.689 1.00 0.00 O ATOM 965 CB LEU A 64 2.582 -2.350 0.284 1.00 0.00 C ATOM 966 CG LEU A 64 3.188 -1.787 -1.038 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.160 -0.641 -0.745 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.863 -2.853 -1.903 1.00 0.00 C ATOM 0 H LEU A 64 1.837 -3.636 2.474 1.00 0.00 H new ATOM 0 HA LEU A 64 2.430 -4.421 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.526 -2.082 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.057 -1.825 1.112 1.00 0.00 H new ATOM 0 HG LEU A 64 2.346 -1.408 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.571 -0.264 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.632 0.162 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.971 -1.004 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.262 -2.390 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.676 -3.315 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.133 -3.614 -2.178 1.00 0.00 H new ATOM 980 N THR A 65 4.578 -5.392 0.613 1.00 0.00 N ATOM 981 CA THR A 65 5.926 -5.830 0.976 1.00 0.00 C ATOM 982 C THR A 65 6.946 -5.288 -0.024 1.00 0.00 C ATOM 983 O THR A 65 6.673 -5.206 -1.222 1.00 0.00 O ATOM 984 CB THR A 65 6.018 -7.375 1.088 1.00 0.00 C ATOM 985 OG1 THR A 65 4.750 -7.985 0.920 1.00 0.00 O ATOM 986 CG2 THR A 65 6.562 -7.847 2.423 1.00 0.00 C ATOM 0 H THR A 65 4.053 -6.061 0.050 1.00 0.00 H new ATOM 0 HA THR A 65 6.157 -5.425 1.961 1.00 0.00 H new ATOM 0 HB THR A 65 6.704 -7.668 0.293 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.585 -8.139 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.601 -8.936 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.565 -7.447 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.912 -7.498 3.225 1.00 0.00 H new ATOM 994 N ILE A 66 8.117 -4.912 0.488 1.00 0.00 N ATOM 995 CA ILE A 66 9.198 -4.369 -0.328 1.00 0.00 C ATOM 996 C ILE A 66 10.521 -4.949 0.167 1.00 0.00 C ATOM 997 O ILE A 66 11.136 -4.400 1.078 1.00 0.00 O ATOM 998 CB ILE A 66 9.226 -2.814 -0.263 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.862 -2.249 -0.683 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.348 -2.231 -1.135 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.716 -0.764 -0.441 1.00 0.00 C ATOM 0 H ILE A 66 8.342 -4.976 1.481 1.00 0.00 H new ATOM 0 HA ILE A 66 9.036 -4.647 -1.369 1.00 0.00 H new ATOM 0 HB ILE A 66 9.431 -2.521 0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.706 -2.452 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.078 -2.775 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.336 -1.143 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.311 -2.607 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.195 -2.529 -2.172 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.727 -0.438 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.839 -0.555 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.477 -0.227 -1.007 1.00 0.00 H new ATOM 1013 N TYR A 67 10.926 -6.083 -0.422 1.00 0.00 N ATOM 1014 CA TYR A 67 12.162 -6.780 -0.030 1.00 0.00 C ATOM 1015 C TYR A 67 13.408 -5.867 -0.213 1.00 0.00 C ATOM 1016 O TYR A 67 13.524 -4.869 0.497 1.00 0.00 O ATOM 1017 CB TYR A 67 12.265 -8.128 -0.792 1.00 0.00 C ATOM 1018 CG TYR A 67 10.983 -8.948 -0.797 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.226 -9.114 0.359 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.529 -9.547 -1.967 1.00 0.00 C ATOM 1021 CE1 TYR A 67 9.058 -9.852 0.346 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.363 -10.285 -1.985 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.632 -10.436 -0.828 1.00 0.00 C ATOM 1024 OH TYR A 67 7.470 -11.171 -0.845 1.00 0.00 O ATOM 0 H TYR A 67 10.413 -6.540 -1.176 1.00 0.00 H new ATOM 0 HA TYR A 67 12.128 -7.013 1.034 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.557 -7.927 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.061 -8.724 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.557 -8.659 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.099 -9.433 -2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.481 -9.971 1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.025 -10.742 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 67 7.312 -11.513 -1.750 1.00 0.00 H new ATOM 1034 N ASN A 68 14.339 -6.174 -1.143 1.00 0.00 N ATOM 1035 CA ASN A 68 15.535 -5.336 -1.361 1.00 0.00 C ATOM 1036 C ASN A 68 15.147 -3.868 -1.606 1.00 0.00 C ATOM 1037 O ASN A 68 14.795 -3.491 -2.725 1.00 0.00 O ATOM 1038 CB ASN A 68 16.361 -5.867 -2.540 1.00 0.00 C ATOM 1039 CG ASN A 68 17.840 -5.551 -2.402 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.661 -6.452 -2.234 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.192 -4.267 -2.474 1.00 0.00 N ATOM 0 H ASN A 68 14.285 -6.991 -1.751 1.00 0.00 H new ATOM 0 HA ASN A 68 16.142 -5.383 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.229 -6.946 -2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.985 -5.434 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.173 -4.002 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.480 -3.550 -2.614 1.00 0.00 H new ATOM 1048 N ALA A 69 15.188 -3.065 -0.538 1.00 0.00 N ATOM 1049 CA ALA A 69 14.816 -1.653 -0.607 1.00 0.00 C ATOM 1050 C ALA A 69 15.897 -0.800 -1.273 1.00 0.00 C ATOM 1051 O ALA A 69 17.090 -1.032 -1.076 1.00 0.00 O ATOM 1052 CB ALA A 69 14.509 -1.124 0.791 1.00 0.00 C ATOM 0 H ALA A 69 15.478 -3.374 0.390 1.00 0.00 H new ATOM 0 HA ALA A 69 13.923 -1.581 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.233 -0.071 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.684 -1.691 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.391 -1.231 1.422 1.00 0.00 H new ATOM 1058 N ASN A 70 15.460 0.200 -2.053 1.00 0.00 N ATOM 1059 CA ASN A 70 16.366 1.115 -2.746 1.00 0.00 C ATOM 1060 C ASN A 70 15.878 2.562 -2.616 1.00 0.00 C ATOM 1061 O ASN A 70 14.677 2.820 -2.449 1.00 0.00 O ATOM 1062 CB ASN A 70 16.472 0.735 -4.226 1.00 0.00 C ATOM 1063 CG ASN A 70 16.942 -0.695 -4.425 1.00 0.00 C ATOM 1064 OD1 ASN A 70 16.026 -1.654 -4.290 1.00 0.00 O flip ATOM 1065 ND2 ASN A 70 18.118 -0.940 -4.697 1.00 0.00 N flip ATOM 0 H ASN A 70 14.472 0.393 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 70 17.350 1.035 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.500 0.864 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.164 1.414 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 70 18.789 -0.178 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 70 18.421 -1.905 -4.827 1.00 0.00 H new ATOM 1072 N ILE A 71 16.810 3.520 -2.694 1.00 0.00 N ATOM 1073 CA ILE A 71 16.460 4.946 -2.584 1.00 0.00 C ATOM 1074 C ILE A 71 15.343 5.351 -3.564 1.00 0.00 C ATOM 1075 O ILE A 71 14.602 6.300 -3.301 1.00 0.00 O ATOM 1076 CB ILE A 71 17.678 5.885 -2.781 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.326 5.698 -4.181 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.683 5.719 -1.639 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.329 4.558 -4.329 1.00 0.00 C ATOM 0 H ILE A 71 17.804 3.339 -2.832 1.00 0.00 H new ATOM 0 HA ILE A 71 16.097 5.068 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 71 17.322 6.915 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 71 17.528 5.544 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 71 18.827 6.628 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.529 6.388 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.201 5.963 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 71 19.036 4.688 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.707 4.536 -5.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 20.159 4.711 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 71 18.839 3.611 -4.103 1.00 0.00 H new ATOM 1091 N ASP A 72 15.217 4.612 -4.677 1.00 0.00 N ATOM 1092 CA ASP A 72 14.176 4.887 -5.666 1.00 0.00 C ATOM 1093 C ASP A 72 12.807 4.497 -5.109 1.00 0.00 C ATOM 1094 O ASP A 72 11.834 5.237 -5.270 1.00 0.00 O ATOM 1095 CB ASP A 72 14.451 4.134 -6.971 1.00 0.00 C ATOM 1096 CG ASP A 72 15.596 4.742 -7.760 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.420 5.852 -8.304 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.668 4.107 -7.833 1.00 0.00 O ATOM 0 H ASP A 72 15.822 3.824 -4.910 1.00 0.00 H new ATOM 0 HA ASP A 72 14.181 5.955 -5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.682 3.093 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.550 4.135 -7.584 1.00 0.00 H new ATOM 1103 N ASP A 73 12.743 3.338 -4.430 1.00 0.00 N ATOM 1104 CA ASP A 73 11.501 2.855 -3.824 1.00 0.00 C ATOM 1105 C ASP A 73 11.018 3.820 -2.740 1.00 0.00 C ATOM 1106 O ASP A 73 9.813 4.008 -2.566 1.00 0.00 O ATOM 1107 CB ASP A 73 11.705 1.455 -3.226 1.00 0.00 C ATOM 1108 CG ASP A 73 11.656 0.356 -4.271 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.056 0.611 -5.428 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.224 -0.765 -3.931 1.00 0.00 O ATOM 0 H ASP A 73 13.543 2.721 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 73 10.742 2.799 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.667 1.420 -2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.937 1.270 -2.475 1.00 0.00 H new ATOM 1115 N ALA A 74 11.970 4.442 -2.015 1.00 0.00 N ATOM 1116 CA ALA A 74 11.630 5.405 -0.950 1.00 0.00 C ATOM 1117 C ALA A 74 10.694 6.512 -1.453 1.00 0.00 C ATOM 1118 O ALA A 74 11.097 7.346 -2.269 1.00 0.00 O ATOM 1119 CB ALA A 74 12.895 6.022 -0.364 1.00 0.00 C ATOM 0 H ALA A 74 12.971 4.296 -2.146 1.00 0.00 H new ATOM 0 HA ALA A 74 11.104 4.851 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.625 6.730 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.522 5.236 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.444 6.542 -1.149 1.00 0.00 H new ATOM 1125 N GLY A 75 9.452 6.504 -0.958 1.00 0.00 N ATOM 1126 CA GLY A 75 8.478 7.504 -1.363 1.00 0.00 C ATOM 1127 C GLY A 75 7.119 7.282 -0.729 1.00 0.00 C ATOM 1128 O GLY A 75 6.931 6.326 0.025 1.00 0.00 O ATOM 0 H GLY A 75 9.107 5.821 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.844 8.494 -1.092 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.376 7.488 -2.448 1.00 0.00 H new ATOM 1132 N ILE A 76 6.171 8.172 -1.036 1.00 0.00 N ATOM 1133 CA ILE A 76 4.818 8.083 -0.491 1.00 0.00 C ATOM 1134 C ILE A 76 3.973 7.063 -1.268 1.00 0.00 C ATOM 1135 O ILE A 76 3.367 7.407 -2.287 1.00 0.00 O ATOM 1136 CB ILE A 76 4.106 9.471 -0.524 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.979 10.553 0.144 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.719 9.408 0.128 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.150 10.398 1.642 1.00 0.00 C ATOM 0 H ILE A 76 6.319 8.964 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 76 4.911 7.754 0.544 1.00 0.00 H new ATOM 0 HB ILE A 76 3.966 9.744 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.964 10.544 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.540 11.530 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.253 10.392 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.098 8.690 -0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.820 9.097 1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.778 11.204 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.174 10.440 2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.621 9.439 1.857 1.00 0.00 H new ATOM 1151 N TYR A 77 3.905 5.822 -0.765 1.00 0.00 N ATOM 1152 CA TYR A 77 3.088 4.786 -1.405 1.00 0.00 C ATOM 1153 C TYR A 77 1.612 5.102 -1.164 1.00 0.00 C ATOM 1154 O TYR A 77 1.290 5.962 -0.334 1.00 0.00 O ATOM 1155 CB TYR A 77 3.424 3.390 -0.868 1.00 0.00 C ATOM 1156 CG TYR A 77 4.756 2.845 -1.332 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.928 3.264 -0.728 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.843 1.909 -2.359 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.159 2.771 -1.124 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.068 1.407 -2.764 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.222 1.842 -2.143 1.00 0.00 C ATOM 1162 OH TYR A 77 8.442 1.346 -2.541 1.00 0.00 O ATOM 0 H TYR A 77 4.400 5.516 0.073 1.00 0.00 H new ATOM 0 HA TYR A 77 3.302 4.783 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.418 3.422 0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.637 2.699 -1.171 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.881 3.991 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.941 1.569 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.063 3.110 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.121 0.680 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 77 9.042 2.090 -2.759 1.00 0.00 H new ATOM 1172 N LYS A 78 0.714 4.425 -1.888 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.724 4.669 -1.745 1.00 0.00 C ATOM 1174 C LYS A 78 -1.517 3.376 -1.597 1.00 0.00 C ATOM 1175 O LYS A 78 -1.080 2.309 -2.024 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.251 5.464 -2.948 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.198 6.597 -2.574 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.653 7.379 -3.799 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.491 8.096 -4.470 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.942 9.277 -5.259 1.00 0.00 N ATOM 0 H LYS A 78 0.956 3.709 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.861 5.248 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.405 5.878 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.766 4.782 -3.624 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.068 6.189 -2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.701 7.271 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.122 6.700 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.410 8.107 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.778 8.418 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.967 7.401 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.119 9.736 -5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.603 8.968 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.420 9.953 -4.630 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.710 3.513 -1.023 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.629 2.404 -0.824 1.00 0.00 C ATOM 1196 C CYS A 79 -5.039 2.894 -1.115 1.00 0.00 C ATOM 1197 O CYS A 79 -5.643 3.584 -0.287 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.533 1.869 0.610 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.064 0.136 0.796 1.00 0.00 S ATOM 0 H CYS A 79 -3.065 4.406 -0.681 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.371 1.587 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.502 1.960 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -4.142 2.496 1.262 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.542 2.581 -2.316 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.871 3.031 -2.740 1.00 0.00 C ATOM 1206 C VAL A 80 -7.877 1.888 -2.761 1.00 0.00 C ATOM 1207 O VAL A 80 -7.634 0.836 -3.359 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.848 3.697 -4.143 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.142 4.462 -4.395 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.646 4.626 -4.302 1.00 0.00 C ATOM 0 H VAL A 80 -5.048 2.019 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.178 3.771 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.758 2.902 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.107 4.921 -5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.987 3.775 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.259 5.238 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.662 5.075 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.691 5.412 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.726 4.055 -4.176 1.00 0.00 H new ATOM 1220 N VAL A 81 -9.026 2.124 -2.121 1.00 0.00 N ATOM 1221 CA VAL A 81 -10.114 1.157 -2.070 1.00 0.00 C ATOM 1222 C VAL A 81 -11.251 1.674 -2.964 1.00 0.00 C ATOM 1223 O VAL A 81 -11.329 2.875 -3.209 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.561 0.931 -0.580 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -12.064 0.673 -0.410 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.757 -0.205 0.049 1.00 0.00 C ATOM 0 H VAL A 81 -9.223 2.993 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.799 0.184 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.355 1.868 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.291 0.527 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.625 1.528 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.345 -0.220 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.078 -0.350 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.922 -1.123 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.696 0.046 0.031 1.00 0.00 H new ATOM 1236 N THR A 82 -12.123 0.777 -3.456 1.00 0.00 N ATOM 1237 CA THR A 82 -13.234 1.200 -4.334 1.00 0.00 C ATOM 1238 C THR A 82 -14.580 0.597 -3.930 1.00 0.00 C ATOM 1239 O THR A 82 -14.647 -0.518 -3.412 1.00 0.00 O ATOM 1240 CB THR A 82 -12.938 0.843 -5.791 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.563 1.014 -6.082 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.726 1.684 -6.779 1.00 0.00 C ATOM 0 H THR A 82 -12.085 -0.225 -3.268 1.00 0.00 H new ATOM 0 HA THR A 82 -13.311 2.281 -4.222 1.00 0.00 H new ATOM 0 HB THR A 82 -13.235 -0.200 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.395 0.779 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.473 1.384 -7.796 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.793 1.537 -6.612 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.479 2.736 -6.639 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.656 1.355 -4.195 1.00 0.00 N ATOM 1251 CA ALA A 83 -17.018 0.918 -3.886 1.00 0.00 C ATOM 1252 C ALA A 83 -17.662 0.251 -5.105 1.00 0.00 C ATOM 1253 O ALA A 83 -17.000 0.043 -6.124 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.854 2.105 -3.427 1.00 0.00 C ATOM 0 H ALA A 83 -15.603 2.278 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.974 0.185 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.866 1.771 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.406 2.542 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.889 2.853 -4.219 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.957 -0.077 -4.995 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.687 -0.716 -6.091 1.00 0.00 C ATOM 1262 C GLU A 84 -20.026 0.292 -7.188 1.00 0.00 C ATOM 1263 O GLU A 84 -19.797 0.028 -8.371 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.976 -1.369 -5.575 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.505 -2.488 -6.476 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.992 -2.374 -6.770 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.797 -2.916 -5.984 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.348 -1.742 -7.787 1.00 0.00 O ATOM 0 H GLU A 84 -19.517 0.091 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 84 -19.041 -1.486 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.794 -1.773 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.745 -0.603 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -20.954 -2.478 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -21.309 -3.450 -6.002 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.578 1.444 -6.788 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.955 2.490 -7.741 1.00 0.00 C ATOM 1277 C ASP A 85 -19.722 3.172 -8.330 1.00 0.00 C ATOM 1278 O ASP A 85 -19.707 3.512 -9.516 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.862 3.530 -7.076 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.246 4.138 -5.830 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.384 3.535 -4.744 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.631 5.218 -5.941 1.00 0.00 O ATOM 0 H ASP A 85 -20.772 1.673 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.504 2.013 -8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.082 4.323 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.812 3.063 -6.815 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.693 3.370 -7.496 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.466 4.011 -7.954 1.00 0.00 C ATOM 1289 C GLY A 86 -16.738 4.792 -6.870 1.00 0.00 C ATOM 1290 O GLY A 86 -15.548 5.079 -7.021 1.00 0.00 O ATOM 0 H GLY A 86 -18.690 3.097 -6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.796 3.249 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.705 4.686 -8.776 1.00 0.00 H new ATOM 1294 N THR A 87 -17.433 5.139 -5.770 1.00 0.00 N ATOM 1295 CA THR A 87 -16.813 5.890 -4.665 1.00 0.00 C ATOM 1296 C THR A 87 -15.607 5.130 -4.108 1.00 0.00 C ATOM 1297 O THR A 87 -15.764 4.103 -3.447 1.00 0.00 O ATOM 1298 CB THR A 87 -17.832 6.161 -3.544 1.00 0.00 C ATOM 1299 OG1 THR A 87 -18.919 6.928 -4.034 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.250 6.903 -2.347 1.00 0.00 C ATOM 0 H THR A 87 -18.417 4.913 -5.624 1.00 0.00 H new ATOM 0 HA THR A 87 -16.473 6.847 -5.059 1.00 0.00 H new ATOM 0 HB THR A 87 -18.153 5.174 -3.210 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.459 6.380 -4.641 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.029 7.056 -1.600 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.441 6.315 -1.913 1.00 0.00 H new ATOM 0 HG23 THR A 87 -16.863 7.869 -2.671 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.410 5.645 -4.386 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.171 5.023 -3.924 1.00 0.00 C ATOM 1310 C GLN A 88 -12.454 5.906 -2.910 1.00 0.00 C ATOM 1311 O GLN A 88 -12.298 7.110 -3.119 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.227 4.705 -5.100 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.217 5.745 -6.216 1.00 0.00 C ATOM 1314 CD GLN A 88 -10.870 5.869 -6.910 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -10.355 6.973 -7.088 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -10.289 4.738 -7.307 1.00 0.00 N ATOM 0 H GLN A 88 -14.273 6.496 -4.932 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.447 4.087 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.213 4.598 -4.714 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.510 3.742 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.975 5.483 -6.954 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.496 6.714 -5.803 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.749 3.843 -7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.384 4.767 -7.777 1.00 0.00 H new ATOM 1325 N SER A 89 -11.998 5.281 -1.821 1.00 0.00 N ATOM 1326 CA SER A 89 -11.264 5.979 -0.770 1.00 0.00 C ATOM 1327 C SER A 89 -9.767 5.784 -0.997 1.00 0.00 C ATOM 1328 O SER A 89 -9.379 5.157 -1.987 1.00 0.00 O ATOM 1329 CB SER A 89 -11.687 5.446 0.599 1.00 0.00 C ATOM 1330 OG SER A 89 -11.240 4.115 0.787 1.00 0.00 O ATOM 0 H SER A 89 -12.127 4.284 -1.647 1.00 0.00 H new ATOM 0 HA SER A 89 -11.489 7.045 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.280 6.084 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.773 5.485 0.688 1.00 0.00 H new ATOM 0 HG SER A 89 -11.746 3.514 0.201 1.00 0.00 H new ATOM 1336 N GLU A 90 -8.919 6.315 -0.109 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.474 6.162 -0.289 1.00 0.00 C ATOM 1338 C GLU A 90 -6.670 6.390 0.997 1.00 0.00 C ATOM 1339 O GLU A 90 -7.203 6.831 2.016 1.00 0.00 O ATOM 1340 CB GLU A 90 -6.981 7.088 -1.421 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.824 8.558 -1.032 1.00 0.00 C ATOM 1342 CD GLU A 90 -7.146 9.517 -2.167 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -6.877 9.166 -3.335 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.668 10.616 -1.887 1.00 0.00 O ATOM 0 H GLU A 90 -9.199 6.840 0.719 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.299 5.123 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.020 6.718 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.680 7.021 -2.255 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.476 8.775 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.801 8.731 -0.698 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.373 6.091 0.909 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.443 6.259 2.021 1.00 0.00 C ATOM 1353 C ALA A 91 -3.022 6.453 1.490 1.00 0.00 C ATOM 1354 O ALA A 91 -2.787 6.321 0.286 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.507 5.059 2.956 1.00 0.00 C ATOM 0 H ALA A 91 -4.939 5.725 0.062 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.728 7.146 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.807 5.201 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.518 4.960 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.242 4.155 2.407 1.00 0.00 H new ATOM 1361 N THR A 92 -2.079 6.767 2.382 1.00 0.00 N ATOM 1362 CA THR A 92 -0.685 6.975 1.982 1.00 0.00 C ATOM 1363 C THR A 92 0.273 6.637 3.120 1.00 0.00 C ATOM 1364 O THR A 92 -0.101 6.686 4.294 1.00 0.00 O ATOM 1365 CB THR A 92 -0.462 8.422 1.514 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.340 9.313 2.181 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.668 8.605 0.025 1.00 0.00 C ATOM 0 H THR A 92 -2.254 6.882 3.380 1.00 0.00 H new ATOM 0 HA THR A 92 -0.477 6.302 1.150 1.00 0.00 H new ATOM 0 HB THR A 92 0.578 8.644 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.178 10.227 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.496 9.648 -0.241 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.032 7.971 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.689 8.328 -0.238 1.00 0.00 H new ATOM 1375 N VAL A 93 1.516 6.302 2.758 1.00 0.00 N ATOM 1376 CA VAL A 93 2.545 5.962 3.737 1.00 0.00 C ATOM 1377 C VAL A 93 3.908 6.499 3.286 1.00 0.00 C ATOM 1378 O VAL A 93 4.414 6.115 2.228 1.00 0.00 O ATOM 1379 CB VAL A 93 2.609 4.427 3.973 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.863 3.682 2.667 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.654 4.060 5.031 1.00 0.00 C ATOM 0 H VAL A 93 1.831 6.260 1.789 1.00 0.00 H new ATOM 0 HA VAL A 93 2.282 6.433 4.684 1.00 0.00 H new ATOM 0 HB VAL A 93 1.637 4.115 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.903 2.610 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.057 3.894 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.811 4.009 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.669 2.979 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.637 4.398 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.400 4.542 5.975 1.00 0.00 H new ATOM 1391 N ASN A 94 4.489 7.386 4.101 1.00 0.00 N ATOM 1392 CA ASN A 94 5.790 7.977 3.797 1.00 0.00 C ATOM 1393 C ASN A 94 6.909 6.972 4.076 1.00 0.00 C ATOM 1394 O ASN A 94 7.465 6.934 5.175 1.00 0.00 O ATOM 1395 CB ASN A 94 5.981 9.280 4.601 1.00 0.00 C ATOM 1396 CG ASN A 94 7.356 9.922 4.430 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.579 10.707 3.508 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.286 9.598 5.329 1.00 0.00 N ATOM 0 H ASN A 94 4.076 7.708 4.976 1.00 0.00 H new ATOM 0 HA ASN A 94 5.831 8.229 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.217 9.996 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.819 9.069 5.658 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.219 10.005 5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.064 8.944 6.079 1.00 0.00 H new ATOM 1405 N VAL A 95 7.228 6.163 3.063 1.00 0.00 N ATOM 1406 CA VAL A 95 8.279 5.153 3.174 1.00 0.00 C ATOM 1407 C VAL A 95 9.631 5.761 2.805 1.00 0.00 C ATOM 1408 O VAL A 95 9.756 6.436 1.779 1.00 0.00 O ATOM 1409 CB VAL A 95 7.995 3.927 2.269 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.960 2.792 2.586 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.549 3.456 2.422 1.00 0.00 C ATOM 0 H VAL A 95 6.770 6.190 2.152 1.00 0.00 H new ATOM 0 HA VAL A 95 8.299 4.811 4.209 1.00 0.00 H new ATOM 0 HB VAL A 95 8.145 4.232 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.745 1.940 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.983 3.126 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.843 2.496 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.377 2.595 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.366 3.174 3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.872 4.262 2.140 1.00 0.00 H new ATOM 1421 N LYS A 96 10.639 5.524 3.655 1.00 0.00 N ATOM 1422 CA LYS A 96 11.984 6.058 3.435 1.00 0.00 C ATOM 1423 C LYS A 96 13.009 4.939 3.247 1.00 0.00 C ATOM 1424 O LYS A 96 12.844 3.833 3.770 1.00 0.00 O ATOM 1425 CB LYS A 96 12.395 6.959 4.621 1.00 0.00 C ATOM 1426 CG LYS A 96 12.717 8.398 4.218 1.00 0.00 C ATOM 1427 CD LYS A 96 12.226 9.410 5.249 1.00 0.00 C ATOM 1428 CE LYS A 96 13.225 9.615 6.381 1.00 0.00 C ATOM 1429 NZ LYS A 96 13.336 11.049 6.764 1.00 0.00 N ATOM 0 H LYS A 96 10.545 4.964 4.502 1.00 0.00 H new ATOM 0 HA LYS A 96 11.964 6.649 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.589 6.968 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.267 6.525 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.794 8.505 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.259 8.614 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.038 10.364 4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.276 9.072 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.918 9.030 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.203 9.243 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.025 11.150 7.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.653 11.604 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.408 11.397 7.080 1.00 0.00 H new ATOM 1443 N ILE A 97 14.085 5.263 2.525 1.00 0.00 N ATOM 1444 CA ILE A 97 15.174 4.324 2.284 1.00 0.00 C ATOM 1445 C ILE A 97 16.498 5.079 2.236 1.00 0.00 C ATOM 1446 O ILE A 97 16.627 6.077 1.523 1.00 0.00 O ATOM 1447 CB ILE A 97 14.995 3.480 0.996 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.554 2.919 0.926 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.040 2.358 0.970 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.298 1.942 -0.206 1.00 0.00 C ATOM 0 H ILE A 97 14.222 6.178 2.095 1.00 0.00 H new ATOM 0 HA ILE A 97 15.167 3.617 3.113 1.00 0.00 H new ATOM 0 HB ILE A 97 15.148 4.108 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.327 2.424 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.860 3.754 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.914 1.765 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.040 2.792 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.910 1.719 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.262 1.606 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.487 2.433 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.961 1.083 -0.102 1.00 0.00 H new ATOM 1462 N PHE A 98 17.470 4.607 3.018 1.00 0.00 N ATOM 1463 CA PHE A 98 18.792 5.238 3.102 1.00 0.00 C ATOM 1464 C PHE A 98 19.888 4.220 2.788 1.00 0.00 C ATOM 1465 O PHE A 98 19.871 3.101 3.306 1.00 0.00 O ATOM 1466 CB PHE A 98 19.024 5.883 4.499 1.00 0.00 C ATOM 1467 CG PHE A 98 18.105 5.386 5.595 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.831 5.918 5.740 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.509 4.381 6.460 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.980 5.456 6.722 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.661 3.919 7.448 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.395 4.457 7.578 1.00 0.00 C ATOM 0 H PHE A 98 17.366 3.782 3.608 1.00 0.00 H new ATOM 0 HA PHE A 98 18.833 6.035 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.056 5.700 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.905 6.963 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.502 6.703 5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.496 3.955 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.990 5.876 6.821 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.987 3.138 8.118 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.731 4.096 8.349 1.00 0.00 H new ATOM 1482 N GLN A 99 20.835 4.620 1.932 1.00 0.00 N ATOM 1483 CA GLN A 99 21.942 3.753 1.536 1.00 0.00 C ATOM 1484 C GLN A 99 23.159 3.981 2.428 1.00 0.00 C ATOM 1485 O GLN A 99 23.008 4.637 3.480 1.00 0.00 O ATOM 1486 CB GLN A 99 22.308 4.008 0.072 1.00 0.00 C ATOM 1487 CG GLN A 99 22.983 2.825 -0.603 1.00 0.00 C ATOM 1488 CD GLN A 99 23.536 3.177 -1.972 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.722 2.984 -2.241 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.680 3.699 -2.850 1.00 0.00 N ATOM 1491 OXT GLN A 99 24.255 3.501 2.068 1.00 0.00 O ATOM 0 H GLN A 99 20.853 5.544 1.500 1.00 0.00 H new ATOM 0 HA GLN A 99 21.624 2.717 1.651 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.404 4.263 -0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.970 4.873 0.017 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.793 2.462 0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 99 22.266 2.010 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.705 3.843 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.000 3.954 -3.784 1.00 0.00 H new