USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 32 SER OG : rot 39:sc= 2.04 USER MOD Set 1.2: A 34 THR OG1 : rot 6:sc= 0.0809 USER MOD Single : A 4 THR OG1 : rot 14:sc= 0.669 USER MOD Single : A 5 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 17 ASN : amide:sc= 0.108 X(o=0.11,f=-0.0034) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 149:sc= 0.106 (180deg=-2.81!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.148 USER MOD Single : A 43 SER OG : rot -163:sc= -1.97! USER MOD Single : A 44 MET CE :methyl -155:sc= -2.03 (180deg=-3.33!) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= 2.47 (180deg=2.26) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -0.0631 (180deg=-0.388) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.18 (180deg=0.937) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0447 USER MOD Single : A 74 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0301 (180deg=-0.252) USER MOD Single : A 76 TYR OH : rot 80:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.65! K(o=-2.7!,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 40 N THR A 4 -10.361 -7.850 1.971 1.00 0.00 N ATOM 41 CA THR A 4 -9.664 -8.078 3.218 1.00 0.00 C ATOM 42 C THR A 4 -8.156 -7.994 2.989 1.00 0.00 C ATOM 43 O THR A 4 -7.716 -7.530 1.931 1.00 0.00 O ATOM 44 CB THR A 4 -10.051 -9.440 3.817 1.00 0.00 C ATOM 45 OG1 THR A 4 -11.388 -9.768 3.409 1.00 0.00 O ATOM 46 CG2 THR A 4 -9.992 -9.397 5.341 1.00 0.00 C ATOM 0 HA THR A 4 -9.955 -7.306 3.931 1.00 0.00 H new ATOM 0 HB THR A 4 -9.348 -10.193 3.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.663 -9.173 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.270 -10.371 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.980 -9.148 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.685 -8.641 5.711 1.00 0.00 H new ATOM 54 N GLN A 5 -7.372 -8.452 3.959 1.00 0.00 N ATOM 55 CA GLN A 5 -5.934 -8.258 3.930 1.00 0.00 C ATOM 56 C GLN A 5 -5.308 -8.963 2.735 1.00 0.00 C ATOM 57 O GLN A 5 -4.671 -8.328 1.906 1.00 0.00 O ATOM 58 CB GLN A 5 -5.290 -8.772 5.218 1.00 0.00 C ATOM 59 CG GLN A 5 -3.955 -8.114 5.516 1.00 0.00 C ATOM 60 CD GLN A 5 -3.162 -8.830 6.592 1.00 0.00 C ATOM 61 OE1 GLN A 5 -3.334 -8.578 7.785 1.00 0.00 O ATOM 62 NE2 GLN A 5 -2.254 -9.694 6.174 1.00 0.00 N ATOM 0 H GLN A 5 -7.713 -8.961 4.775 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.752 -7.187 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.969 -8.597 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.149 -9.850 5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.363 -8.078 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.127 -7.083 5.826 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.143 -9.875 5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.664 -10.180 6.849 1.00 0.00 H new ATOM 71 N GLU A 6 -5.540 -10.263 2.620 1.00 0.00 N ATOM 72 CA GLU A 6 -4.886 -11.074 1.598 1.00 0.00 C ATOM 73 C GLU A 6 -5.232 -10.583 0.197 1.00 0.00 C ATOM 74 O GLU A 6 -4.388 -10.596 -0.700 1.00 0.00 O ATOM 75 CB GLU A 6 -5.259 -12.557 1.742 1.00 0.00 C ATOM 76 CG GLU A 6 -6.754 -12.834 1.782 1.00 0.00 C ATOM 77 CD GLU A 6 -7.360 -12.592 3.148 1.00 0.00 C ATOM 78 OE1 GLU A 6 -7.712 -11.436 3.453 1.00 0.00 O ATOM 79 OE2 GLU A 6 -7.462 -13.560 3.926 1.00 0.00 O ATOM 0 H GLU A 6 -6.178 -10.782 3.223 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.811 -10.971 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.823 -13.110 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.807 -12.945 2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.256 -12.201 1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.935 -13.868 1.487 1.00 0.00 H new ATOM 86 N GLU A 7 -6.463 -10.130 0.025 1.00 0.00 N ATOM 87 CA GLU A 7 -6.933 -9.664 -1.270 1.00 0.00 C ATOM 88 C GLU A 7 -6.240 -8.360 -1.649 1.00 0.00 C ATOM 89 O GLU A 7 -5.586 -8.257 -2.693 1.00 0.00 O ATOM 90 CB GLU A 7 -8.442 -9.451 -1.220 1.00 0.00 C ATOM 91 CG GLU A 7 -9.088 -9.320 -2.589 1.00 0.00 C ATOM 92 CD GLU A 7 -9.001 -10.603 -3.392 1.00 0.00 C ATOM 93 OE1 GLU A 7 -7.945 -10.855 -4.007 1.00 0.00 O ATOM 94 OE2 GLU A 7 -9.993 -11.362 -3.406 1.00 0.00 O ATOM 0 H GLU A 7 -7.158 -10.075 0.770 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.697 -10.416 -2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.900 -10.286 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.654 -8.552 -0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.134 -9.039 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.603 -8.515 -3.141 1.00 0.00 H new ATOM 101 N ILE A 8 -6.364 -7.373 -0.772 1.00 0.00 N ATOM 102 CA ILE A 8 -5.803 -6.054 -1.018 1.00 0.00 C ATOM 103 C ILE A 8 -4.279 -6.141 -1.091 1.00 0.00 C ATOM 104 O ILE A 8 -3.647 -5.443 -1.882 1.00 0.00 O ATOM 105 CB ILE A 8 -6.261 -5.055 0.078 1.00 0.00 C ATOM 106 CG1 ILE A 8 -6.163 -3.594 -0.398 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.469 -5.256 1.360 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.769 -3.002 -0.363 1.00 0.00 C ATOM 0 H ILE A 8 -6.851 -7.463 0.120 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.169 -5.683 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.311 -5.262 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.542 -3.534 -1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.818 -2.981 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.808 -4.544 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.621 -6.271 1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.409 -5.097 1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.802 -1.971 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.390 -3.023 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.110 -3.585 -1.007 1.00 0.00 H new ATOM 120 N VAL A 9 -3.704 -7.035 -0.290 1.00 0.00 N ATOM 121 CA VAL A 9 -2.268 -7.257 -0.290 1.00 0.00 C ATOM 122 C VAL A 9 -1.796 -7.742 -1.654 1.00 0.00 C ATOM 123 O VAL A 9 -0.753 -7.318 -2.127 1.00 0.00 O ATOM 124 CB VAL A 9 -1.844 -8.259 0.814 1.00 0.00 C ATOM 125 CG1 VAL A 9 -0.481 -8.875 0.523 1.00 0.00 C ATOM 126 CG2 VAL A 9 -1.819 -7.571 2.170 1.00 0.00 C ATOM 0 H VAL A 9 -4.218 -7.619 0.370 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.791 -6.301 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.581 -9.062 0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.219 -9.572 1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.518 -9.408 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.270 -8.087 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.520 -8.287 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.107 -6.746 2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.812 -7.187 2.401 1.00 0.00 H new ATOM 136 N ALA A 10 -2.575 -8.602 -2.299 1.00 0.00 N ATOM 137 CA ALA A 10 -2.223 -9.078 -3.632 1.00 0.00 C ATOM 138 C ALA A 10 -2.148 -7.918 -4.613 1.00 0.00 C ATOM 139 O ALA A 10 -1.187 -7.799 -5.378 1.00 0.00 O ATOM 140 CB ALA A 10 -3.221 -10.116 -4.120 1.00 0.00 C ATOM 0 H ALA A 10 -3.446 -8.981 -1.926 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.241 -9.548 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.936 -10.455 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.227 -10.965 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.217 -9.674 -4.158 1.00 0.00 H new ATOM 146 N GLY A 11 -3.158 -7.058 -4.578 1.00 0.00 N ATOM 147 CA GLY A 11 -3.172 -5.898 -5.454 1.00 0.00 C ATOM 148 C GLY A 11 -2.085 -4.896 -5.108 1.00 0.00 C ATOM 149 O GLY A 11 -1.471 -4.299 -5.994 1.00 0.00 O ATOM 0 H GLY A 11 -3.966 -7.141 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.046 -6.225 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.145 -5.410 -5.391 1.00 0.00 H new ATOM 153 N LEU A 12 -1.861 -4.714 -3.812 1.00 0.00 N ATOM 154 CA LEU A 12 -0.835 -3.806 -3.316 1.00 0.00 C ATOM 155 C LEU A 12 0.554 -4.335 -3.687 1.00 0.00 C ATOM 156 O LEU A 12 1.362 -3.623 -4.281 1.00 0.00 O ATOM 157 CB LEU A 12 -0.960 -3.667 -1.787 1.00 0.00 C ATOM 158 CG LEU A 12 -0.805 -2.250 -1.204 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.518 -1.626 -1.606 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.960 -1.354 -1.627 1.00 0.00 C ATOM 0 H LEU A 12 -2.384 -5.191 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.970 -2.826 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.935 -4.052 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.210 -4.308 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.820 -2.344 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.594 -0.627 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.338 -2.242 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.574 -1.560 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.824 -0.360 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.986 -1.282 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.899 -1.777 -1.269 1.00 0.00 H new ATOM 172 N ALA A 13 0.799 -5.600 -3.354 1.00 0.00 N ATOM 173 CA ALA A 13 2.085 -6.256 -3.589 1.00 0.00 C ATOM 174 C ALA A 13 2.485 -6.200 -5.050 1.00 0.00 C ATOM 175 O ALA A 13 3.615 -5.837 -5.380 1.00 0.00 O ATOM 176 CB ALA A 13 2.019 -7.706 -3.141 1.00 0.00 C ATOM 0 H ALA A 13 0.107 -6.204 -2.910 1.00 0.00 H new ATOM 0 HA ALA A 13 2.837 -5.721 -3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.981 -8.186 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.785 -7.748 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.244 -8.226 -3.704 1.00 0.00 H new ATOM 182 N GLU A 14 1.547 -6.565 -5.914 1.00 0.00 N ATOM 183 CA GLU A 14 1.755 -6.540 -7.357 1.00 0.00 C ATOM 184 C GLU A 14 2.275 -5.179 -7.806 1.00 0.00 C ATOM 185 O GLU A 14 3.118 -5.078 -8.699 1.00 0.00 O ATOM 186 CB GLU A 14 0.433 -6.838 -8.065 1.00 0.00 C ATOM 187 CG GLU A 14 0.524 -6.822 -9.584 1.00 0.00 C ATOM 188 CD GLU A 14 -0.835 -6.811 -10.246 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.415 -5.716 -10.405 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.330 -7.895 -10.620 1.00 0.00 O ATOM 0 H GLU A 14 0.620 -6.887 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 14 2.496 -7.297 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.073 -7.816 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.309 -6.105 -7.749 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.086 -5.944 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.081 -7.696 -9.920 1.00 0.00 H new ATOM 197 N ILE A 15 1.781 -4.140 -7.157 1.00 0.00 N ATOM 198 CA ILE A 15 2.076 -2.780 -7.545 1.00 0.00 C ATOM 199 C ILE A 15 3.377 -2.267 -6.912 1.00 0.00 C ATOM 200 O ILE A 15 4.169 -1.599 -7.578 1.00 0.00 O ATOM 201 CB ILE A 15 0.871 -1.865 -7.220 1.00 0.00 C ATOM 202 CG1 ILE A 15 0.282 -1.329 -8.525 1.00 0.00 C ATOM 203 CG2 ILE A 15 1.254 -0.733 -6.277 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.029 -0.596 -8.355 1.00 0.00 C ATOM 0 H ILE A 15 1.165 -4.219 -6.348 1.00 0.00 H new ATOM 0 HA ILE A 15 2.240 -2.761 -8.622 1.00 0.00 H new ATOM 0 HB ILE A 15 0.116 -2.454 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.004 -0.657 -8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.134 -2.161 -9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.379 -0.115 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.627 -1.149 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.031 -0.122 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.380 -0.248 -9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.769 -1.269 -7.922 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.885 0.258 -7.694 1.00 0.00 H new ATOM 216 N VAL A 16 3.622 -2.596 -5.641 1.00 0.00 N ATOM 217 CA VAL A 16 4.854 -2.158 -4.984 1.00 0.00 C ATOM 218 C VAL A 16 6.043 -2.871 -5.604 1.00 0.00 C ATOM 219 O VAL A 16 7.178 -2.386 -5.559 1.00 0.00 O ATOM 220 CB VAL A 16 4.865 -2.430 -3.464 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.033 -1.714 -2.806 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.565 -2.009 -2.817 1.00 0.00 C ATOM 0 H VAL A 16 2.998 -3.153 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 16 4.913 -1.079 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 16 4.979 -3.504 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.027 -1.916 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.968 -2.071 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.943 -0.641 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.608 -2.215 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.409 -0.942 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.740 -2.566 -3.261 1.00 0.00 H new ATOM 232 N ASN A 17 5.764 -4.034 -6.178 1.00 0.00 N ATOM 233 CA ASN A 17 6.773 -4.818 -6.863 1.00 0.00 C ATOM 234 C ASN A 17 7.392 -4.015 -8.007 1.00 0.00 C ATOM 235 O ASN A 17 8.549 -4.234 -8.365 1.00 0.00 O ATOM 236 CB ASN A 17 6.163 -6.126 -7.384 1.00 0.00 C ATOM 237 CG ASN A 17 7.204 -7.080 -7.931 1.00 0.00 C ATOM 238 OD1 ASN A 17 7.531 -7.048 -9.115 1.00 0.00 O ATOM 239 ND2 ASN A 17 7.721 -7.947 -7.073 1.00 0.00 N ATOM 0 H ASN A 17 4.835 -4.456 -6.180 1.00 0.00 H new ATOM 0 HA ASN A 17 7.565 -5.064 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.617 -6.614 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.439 -5.898 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.418 -8.622 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.422 -7.940 -6.098 1.00 0.00 H new ATOM 246 N GLU A 18 6.630 -3.069 -8.561 1.00 0.00 N ATOM 247 CA GLU A 18 7.163 -2.183 -9.588 1.00 0.00 C ATOM 248 C GLU A 18 8.117 -1.179 -8.970 1.00 0.00 C ATOM 249 O GLU A 18 9.230 -0.976 -9.460 1.00 0.00 O ATOM 250 CB GLU A 18 6.062 -1.415 -10.324 1.00 0.00 C ATOM 251 CG GLU A 18 6.623 -0.607 -11.482 1.00 0.00 C ATOM 252 CD GLU A 18 5.563 -0.037 -12.391 1.00 0.00 C ATOM 253 OE1 GLU A 18 5.123 1.101 -12.152 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.207 -0.713 -13.381 1.00 0.00 O ATOM 0 H GLU A 18 5.654 -2.901 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 18 7.682 -2.816 -10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.315 -2.116 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.554 -0.749 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.227 0.209 -11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.289 -1.241 -12.067 1.00 0.00 H new ATOM 261 N ILE A 19 7.671 -0.567 -7.882 1.00 0.00 N ATOM 262 CA ILE A 19 8.413 0.505 -7.243 1.00 0.00 C ATOM 263 C ILE A 19 9.792 0.034 -6.814 1.00 0.00 C ATOM 264 O ILE A 19 10.805 0.641 -7.160 1.00 0.00 O ATOM 265 CB ILE A 19 7.682 1.034 -5.998 1.00 0.00 C ATOM 266 CG1 ILE A 19 6.200 1.271 -6.293 1.00 0.00 C ATOM 267 CG2 ILE A 19 8.341 2.317 -5.538 1.00 0.00 C ATOM 268 CD1 ILE A 19 5.412 1.751 -5.092 1.00 0.00 C ATOM 0 H ILE A 19 6.791 -0.799 -7.422 1.00 0.00 H new ATOM 0 HA ILE A 19 8.502 1.302 -7.981 1.00 0.00 H new ATOM 0 HB ILE A 19 7.748 0.288 -5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.110 2.006 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.758 0.344 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.825 2.695 -4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.385 2.122 -5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.288 3.059 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.370 1.898 -5.376 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.470 1.007 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.828 2.694 -4.737 1.00 0.00 H new ATOM 280 N ALA A 20 9.825 -1.060 -6.070 1.00 0.00 N ATOM 281 CA ALA A 20 11.078 -1.573 -5.550 1.00 0.00 C ATOM 282 C ALA A 20 11.255 -3.039 -5.914 1.00 0.00 C ATOM 283 O ALA A 20 11.888 -3.360 -6.922 1.00 0.00 O ATOM 284 CB ALA A 20 11.146 -1.362 -4.049 1.00 0.00 C ATOM 0 H ALA A 20 9.002 -1.606 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 20 11.900 -1.022 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.091 -1.751 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.077 -0.297 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.319 -1.886 -3.570 1.00 0.00 H new ATOM 290 N GLY A 21 10.683 -3.932 -5.115 1.00 0.00 N ATOM 291 CA GLY A 21 10.762 -5.340 -5.437 1.00 0.00 C ATOM 292 C GLY A 21 10.620 -6.257 -4.235 1.00 0.00 C ATOM 293 O GLY A 21 11.529 -7.025 -3.930 1.00 0.00 O ATOM 0 H GLY A 21 10.172 -3.708 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.982 -5.581 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.718 -5.538 -5.922 1.00 0.00 H new ATOM 297 N ILE A 22 9.493 -6.169 -3.536 1.00 0.00 N ATOM 298 CA ILE A 22 9.135 -7.186 -2.552 1.00 0.00 C ATOM 299 C ILE A 22 8.219 -8.207 -3.224 1.00 0.00 C ATOM 300 O ILE A 22 7.246 -7.825 -3.883 1.00 0.00 O ATOM 301 CB ILE A 22 8.406 -6.603 -1.307 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.336 -5.743 -0.441 1.00 0.00 C ATOM 303 CG2 ILE A 22 7.806 -7.719 -0.468 1.00 0.00 C ATOM 304 CD1 ILE A 22 10.513 -6.490 0.149 1.00 0.00 C ATOM 0 H ILE A 22 8.817 -5.411 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 22 10.061 -7.639 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 22 7.608 -5.959 -1.678 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.712 -4.916 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.755 -5.307 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.301 -7.292 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.088 -8.279 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.598 -8.388 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.116 -5.806 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.150 -7.300 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.122 -6.903 -0.655 1.00 0.00 H new ATOM 316 N PRO A 23 8.532 -9.507 -3.120 1.00 0.00 N ATOM 317 CA PRO A 23 7.658 -10.565 -3.634 1.00 0.00 C ATOM 318 C PRO A 23 6.248 -10.449 -3.071 1.00 0.00 C ATOM 319 O PRO A 23 6.065 -10.019 -1.929 1.00 0.00 O ATOM 320 CB PRO A 23 8.320 -11.851 -3.148 1.00 0.00 C ATOM 321 CG PRO A 23 9.751 -11.490 -2.947 1.00 0.00 C ATOM 322 CD PRO A 23 9.765 -10.047 -2.522 1.00 0.00 C ATOM 0 HA PRO A 23 7.549 -10.518 -4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.867 -12.203 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.213 -12.652 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.209 -12.124 -2.188 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.321 -11.631 -3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.763 -9.947 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.651 -9.528 -2.888 1.00 0.00 H new ATOM 330 N VAL A 24 5.257 -10.855 -3.855 1.00 0.00 N ATOM 331 CA VAL A 24 3.861 -10.726 -3.448 1.00 0.00 C ATOM 332 C VAL A 24 3.573 -11.597 -2.226 1.00 0.00 C ATOM 333 O VAL A 24 2.579 -11.407 -1.529 1.00 0.00 O ATOM 334 CB VAL A 24 2.888 -11.101 -4.589 1.00 0.00 C ATOM 335 CG1 VAL A 24 3.149 -10.240 -5.815 1.00 0.00 C ATOM 336 CG2 VAL A 24 2.994 -12.578 -4.939 1.00 0.00 C ATOM 0 H VAL A 24 5.392 -11.276 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 24 3.700 -9.678 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 24 1.872 -10.912 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.455 -10.517 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.007 -9.190 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.172 -10.395 -6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.298 -12.812 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.011 -12.804 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.749 -13.178 -4.063 1.00 0.00 H new ATOM 346 N GLU A 25 4.459 -12.553 -1.988 1.00 0.00 N ATOM 347 CA GLU A 25 4.346 -13.462 -0.858 1.00 0.00 C ATOM 348 C GLU A 25 4.868 -12.815 0.427 1.00 0.00 C ATOM 349 O GLU A 25 4.510 -13.229 1.529 1.00 0.00 O ATOM 350 CB GLU A 25 5.135 -14.739 -1.150 1.00 0.00 C ATOM 351 CG GLU A 25 4.702 -15.452 -2.420 1.00 0.00 C ATOM 352 CD GLU A 25 5.598 -16.628 -2.750 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.515 -17.657 -2.049 1.00 0.00 O ATOM 354 OE2 GLU A 25 6.396 -16.527 -3.702 1.00 0.00 O ATOM 0 H GLU A 25 5.277 -12.720 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 25 3.293 -13.702 -0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.194 -14.491 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.028 -15.422 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.675 -15.800 -2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.710 -14.747 -3.251 1.00 0.00 H new ATOM 361 N ASP A 26 5.707 -11.790 0.281 1.00 0.00 N ATOM 362 CA ASP A 26 6.401 -11.208 1.430 1.00 0.00 C ATOM 363 C ASP A 26 5.707 -9.944 1.918 1.00 0.00 C ATOM 364 O ASP A 26 6.001 -9.443 3.007 1.00 0.00 O ATOM 365 CB ASP A 26 7.855 -10.880 1.080 1.00 0.00 C ATOM 366 CG ASP A 26 8.701 -10.618 2.312 1.00 0.00 C ATOM 367 OD1 ASP A 26 8.556 -11.352 3.310 1.00 0.00 O ATOM 368 OD2 ASP A 26 9.524 -9.677 2.283 1.00 0.00 O ATOM 0 H ASP A 26 5.922 -11.348 -0.613 1.00 0.00 H new ATOM 0 HA ASP A 26 6.379 -11.951 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.286 -11.707 0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.881 -10.004 0.432 1.00 0.00 H new ATOM 373 N VAL A 27 4.798 -9.415 1.110 1.00 0.00 N ATOM 374 CA VAL A 27 4.085 -8.199 1.472 1.00 0.00 C ATOM 375 C VAL A 27 3.122 -8.473 2.614 1.00 0.00 C ATOM 376 O VAL A 27 2.244 -9.326 2.518 1.00 0.00 O ATOM 377 CB VAL A 27 3.335 -7.588 0.271 1.00 0.00 C ATOM 378 CG1 VAL A 27 2.519 -6.369 0.691 1.00 0.00 C ATOM 379 CG2 VAL A 27 4.325 -7.208 -0.817 1.00 0.00 C ATOM 0 H VAL A 27 4.538 -9.807 0.205 1.00 0.00 H new ATOM 0 HA VAL A 27 4.827 -7.470 1.796 1.00 0.00 H new ATOM 0 HB VAL A 27 2.644 -8.336 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.002 -5.961 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.788 -6.663 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.184 -5.612 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.789 -6.777 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.033 -6.477 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.865 -8.097 -1.144 1.00 0.00 H new ATOM 389 N LYS A 28 3.312 -7.740 3.698 1.00 0.00 N ATOM 390 CA LYS A 28 2.589 -7.967 4.935 1.00 0.00 C ATOM 391 C LYS A 28 2.342 -6.634 5.603 1.00 0.00 C ATOM 392 O LYS A 28 2.983 -5.644 5.258 1.00 0.00 O ATOM 393 CB LYS A 28 3.420 -8.857 5.871 1.00 0.00 C ATOM 394 CG LYS A 28 3.722 -10.232 5.294 1.00 0.00 C ATOM 395 CD LYS A 28 4.883 -10.914 6.004 1.00 0.00 C ATOM 396 CE LYS A 28 4.484 -11.479 7.358 1.00 0.00 C ATOM 397 NZ LYS A 28 5.615 -12.201 7.999 1.00 0.00 N ATOM 0 H LYS A 28 3.976 -6.967 3.744 1.00 0.00 H new ATOM 0 HA LYS A 28 1.642 -8.463 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.359 -8.353 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.886 -8.977 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.834 -10.859 5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.954 -10.136 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.267 -11.719 5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.695 -10.199 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.152 -10.670 8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.639 -12.157 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.311 -12.574 8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.915 -12.988 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.411 -11.546 8.137 1.00 0.00 H new ATOM 411 N LEU A 29 1.455 -6.614 6.577 1.00 0.00 N ATOM 412 CA LEU A 29 1.187 -5.401 7.339 1.00 0.00 C ATOM 413 C LEU A 29 2.321 -5.147 8.323 1.00 0.00 C ATOM 414 O LEU A 29 2.324 -4.162 9.058 1.00 0.00 O ATOM 415 CB LEU A 29 -0.161 -5.503 8.065 1.00 0.00 C ATOM 416 CG LEU A 29 -1.392 -5.138 7.222 1.00 0.00 C ATOM 417 CD1 LEU A 29 -1.405 -5.904 5.909 1.00 0.00 C ATOM 418 CD2 LEU A 29 -2.673 -5.386 8.005 1.00 0.00 C ATOM 0 H LEU A 29 0.904 -7.423 6.864 1.00 0.00 H new ATOM 0 HA LEU A 29 1.129 -4.557 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.281 -6.523 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.134 -4.852 8.939 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.334 -4.075 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.288 -5.625 5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.509 -5.662 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.428 -6.975 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.533 -5.121 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.734 -6.439 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.671 -4.776 8.908 1.00 0.00 H new ATOM 430 N ASP A 30 3.283 -6.057 8.308 1.00 0.00 N ATOM 431 CA ASP A 30 4.378 -6.061 9.261 1.00 0.00 C ATOM 432 C ASP A 30 5.633 -5.394 8.695 1.00 0.00 C ATOM 433 O ASP A 30 6.475 -4.918 9.453 1.00 0.00 O ATOM 434 CB ASP A 30 4.682 -7.513 9.656 1.00 0.00 C ATOM 435 CG ASP A 30 5.882 -7.652 10.572 1.00 0.00 C ATOM 436 OD1 ASP A 30 5.762 -7.310 11.766 1.00 0.00 O ATOM 437 OD2 ASP A 30 6.930 -8.144 10.107 1.00 0.00 O ATOM 0 H ASP A 30 3.324 -6.817 7.629 1.00 0.00 H new ATOM 0 HA ASP A 30 4.078 -5.484 10.136 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.808 -7.938 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.855 -8.098 8.753 1.00 0.00 H new ATOM 442 N LYS A 31 5.753 -5.325 7.365 1.00 0.00 N ATOM 443 CA LYS A 31 6.987 -4.844 6.766 1.00 0.00 C ATOM 444 C LYS A 31 6.878 -3.355 6.430 1.00 0.00 C ATOM 445 O LYS A 31 5.824 -2.869 6.008 1.00 0.00 O ATOM 446 CB LYS A 31 7.356 -5.701 5.545 1.00 0.00 C ATOM 447 CG LYS A 31 6.764 -5.256 4.221 1.00 0.00 C ATOM 448 CD LYS A 31 6.661 -6.401 3.234 1.00 0.00 C ATOM 449 CE LYS A 31 8.027 -6.940 2.822 1.00 0.00 C ATOM 450 NZ LYS A 31 8.640 -7.818 3.857 1.00 0.00 N ATOM 0 H LYS A 31 5.025 -5.591 6.702 1.00 0.00 H new ATOM 0 HA LYS A 31 7.800 -4.945 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.442 -5.715 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.040 -6.727 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.774 -4.833 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.381 -4.464 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.074 -7.206 3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.124 -6.065 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.926 -7.499 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.696 -6.104 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.232 -8.538 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.227 -7.244 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.889 -8.286 4.404 1.00 0.00 H new ATOM 464 N SER A 32 7.965 -2.636 6.641 1.00 0.00 N ATOM 465 CA SER A 32 7.973 -1.190 6.502 1.00 0.00 C ATOM 466 C SER A 32 8.116 -0.776 5.041 1.00 0.00 C ATOM 467 O SER A 32 8.963 -1.295 4.326 1.00 0.00 O ATOM 468 CB SER A 32 9.116 -0.602 7.334 1.00 0.00 C ATOM 469 OG SER A 32 9.347 0.758 7.011 1.00 0.00 O ATOM 0 H SER A 32 8.864 -3.035 6.912 1.00 0.00 H new ATOM 0 HA SER A 32 7.021 -0.802 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.878 -0.690 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.026 -1.177 7.162 1.00 0.00 H new ATOM 0 HG SER A 32 8.490 1.207 6.853 1.00 0.00 H new ATOM 475 N PHE A 33 7.279 0.163 4.607 1.00 0.00 N ATOM 476 CA PHE A 33 7.360 0.708 3.258 1.00 0.00 C ATOM 477 C PHE A 33 8.720 1.341 3.033 1.00 0.00 C ATOM 478 O PHE A 33 9.386 1.093 2.033 1.00 0.00 O ATOM 479 CB PHE A 33 6.274 1.766 3.036 1.00 0.00 C ATOM 480 CG PHE A 33 5.169 1.337 2.110 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.443 0.570 0.990 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.860 1.718 2.349 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.432 0.186 0.131 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.844 1.340 1.491 1.00 0.00 C ATOM 485 CZ PHE A 33 3.132 0.571 0.379 1.00 0.00 C ATOM 0 H PHE A 33 6.533 0.563 5.176 1.00 0.00 H new ATOM 0 HA PHE A 33 7.213 -0.110 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.841 2.032 4.000 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.738 2.667 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.460 0.268 0.786 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.629 2.318 3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.660 -0.416 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.827 1.645 1.689 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.341 0.273 -0.293 1.00 0.00 H new ATOM 495 N THR A 34 9.132 2.149 3.983 1.00 0.00 N ATOM 496 CA THR A 34 10.367 2.883 3.863 1.00 0.00 C ATOM 497 C THR A 34 11.583 1.975 4.067 1.00 0.00 C ATOM 498 O THR A 34 12.595 2.125 3.386 1.00 0.00 O ATOM 499 CB THR A 34 10.393 4.054 4.866 1.00 0.00 C ATOM 500 OG1 THR A 34 10.075 3.578 6.183 1.00 0.00 O ATOM 501 CG2 THR A 34 9.391 5.133 4.458 1.00 0.00 C ATOM 0 H THR A 34 8.625 2.314 4.852 1.00 0.00 H new ATOM 0 HA THR A 34 10.420 3.283 2.851 1.00 0.00 H new ATOM 0 HB THR A 34 11.394 4.485 4.866 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.004 2.601 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.424 5.951 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.646 5.511 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.387 4.708 4.437 1.00 0.00 H new ATOM 509 N ASP A 35 11.474 1.022 4.989 1.00 0.00 N ATOM 510 CA ASP A 35 12.614 0.165 5.323 1.00 0.00 C ATOM 511 C ASP A 35 12.638 -1.125 4.498 1.00 0.00 C ATOM 512 O ASP A 35 13.599 -1.392 3.773 1.00 0.00 O ATOM 513 CB ASP A 35 12.616 -0.169 6.815 1.00 0.00 C ATOM 514 CG ASP A 35 13.849 -0.943 7.232 1.00 0.00 C ATOM 515 OD1 ASP A 35 14.948 -0.350 7.245 1.00 0.00 O ATOM 516 OD2 ASP A 35 13.724 -2.135 7.572 1.00 0.00 O ATOM 0 H ASP A 35 10.622 0.823 5.513 1.00 0.00 H new ATOM 0 HA ASP A 35 13.514 0.728 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.558 0.754 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.726 -0.751 7.055 1.00 0.00 H new ATOM 521 N ASP A 36 11.580 -1.924 4.616 1.00 0.00 N ATOM 522 CA ASP A 36 11.511 -3.230 3.954 1.00 0.00 C ATOM 523 C ASP A 36 11.273 -3.076 2.460 1.00 0.00 C ATOM 524 O ASP A 36 11.964 -3.683 1.647 1.00 0.00 O ATOM 525 CB ASP A 36 10.395 -4.099 4.541 1.00 0.00 C ATOM 526 CG ASP A 36 10.682 -4.582 5.943 1.00 0.00 C ATOM 527 OD1 ASP A 36 10.345 -3.858 6.901 1.00 0.00 O ATOM 528 OD2 ASP A 36 11.220 -5.697 6.087 1.00 0.00 O ATOM 0 H ASP A 36 10.753 -1.691 5.166 1.00 0.00 H new ATOM 0 HA ASP A 36 12.472 -3.717 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.466 -3.529 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.238 -4.961 3.893 1.00 0.00 H new ATOM 533 N LEU A 37 10.280 -2.270 2.110 1.00 0.00 N ATOM 534 CA LEU A 37 9.943 -2.038 0.710 1.00 0.00 C ATOM 535 C LEU A 37 11.014 -1.162 0.063 1.00 0.00 C ATOM 536 O LEU A 37 11.097 -1.087 -1.156 1.00 0.00 O ATOM 537 CB LEU A 37 8.560 -1.364 0.560 1.00 0.00 C ATOM 538 CG LEU A 37 7.307 -2.210 0.877 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.178 -3.386 -0.061 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.311 -2.705 2.303 1.00 0.00 C ATOM 0 H LEU A 37 9.693 -1.766 2.775 1.00 0.00 H new ATOM 0 HA LEU A 37 9.900 -3.006 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.544 -0.486 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.472 -1.006 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 37 6.449 -1.552 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.285 -3.958 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.099 -3.026 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.056 -4.024 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.413 -3.296 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.193 -3.324 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.330 -1.854 2.984 1.00 0.00 H new ATOM 552 N ASP A 38 11.822 -0.503 0.907 1.00 0.00 N ATOM 553 CA ASP A 38 12.902 0.389 0.451 1.00 0.00 C ATOM 554 C ASP A 38 12.318 1.478 -0.443 1.00 0.00 C ATOM 555 O ASP A 38 12.940 1.943 -1.397 1.00 0.00 O ATOM 556 CB ASP A 38 13.981 -0.409 -0.299 1.00 0.00 C ATOM 557 CG ASP A 38 15.318 0.310 -0.357 1.00 0.00 C ATOM 558 OD1 ASP A 38 16.090 0.214 0.624 1.00 0.00 O ATOM 559 OD2 ASP A 38 15.623 0.956 -1.382 1.00 0.00 O ATOM 0 H ASP A 38 11.747 -0.572 1.922 1.00 0.00 H new ATOM 0 HA ASP A 38 13.372 0.854 1.318 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.115 -1.375 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.638 -0.609 -1.314 1.00 0.00 H new ATOM 564 N VAL A 39 11.109 1.890 -0.110 1.00 0.00 N ATOM 565 CA VAL A 39 10.349 2.778 -0.962 1.00 0.00 C ATOM 566 C VAL A 39 10.657 4.243 -0.668 1.00 0.00 C ATOM 567 O VAL A 39 11.155 4.594 0.402 1.00 0.00 O ATOM 568 CB VAL A 39 8.835 2.511 -0.824 1.00 0.00 C ATOM 569 CG1 VAL A 39 8.194 3.441 0.191 1.00 0.00 C ATOM 570 CG2 VAL A 39 8.154 2.618 -2.175 1.00 0.00 C ATOM 0 H VAL A 39 10.632 1.620 0.750 1.00 0.00 H new ATOM 0 HA VAL A 39 10.648 2.573 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 39 8.705 1.494 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.128 3.224 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.660 3.293 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.333 4.475 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.087 2.427 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.302 3.620 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.583 1.884 -2.858 1.00 0.00 H new ATOM 580 N ASP A 40 10.337 5.086 -1.630 1.00 0.00 N ATOM 581 CA ASP A 40 10.631 6.507 -1.550 1.00 0.00 C ATOM 582 C ASP A 40 9.356 7.320 -1.450 1.00 0.00 C ATOM 583 O ASP A 40 8.318 6.872 -1.907 1.00 0.00 O ATOM 584 CB ASP A 40 11.409 6.918 -2.797 1.00 0.00 C ATOM 585 CG ASP A 40 11.302 8.392 -3.107 1.00 0.00 C ATOM 586 OD1 ASP A 40 11.941 9.207 -2.412 1.00 0.00 O ATOM 587 OD2 ASP A 40 10.557 8.741 -4.049 1.00 0.00 O ATOM 0 H ASP A 40 9.866 4.807 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 40 11.224 6.698 -0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.459 6.657 -2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.043 6.347 -3.650 1.00 0.00 H new ATOM 592 N SER A 41 9.471 8.520 -0.878 1.00 0.00 N ATOM 593 CA SER A 41 8.348 9.444 -0.696 1.00 0.00 C ATOM 594 C SER A 41 7.435 9.494 -1.926 1.00 0.00 C ATOM 595 O SER A 41 6.246 9.164 -1.847 1.00 0.00 O ATOM 596 CB SER A 41 8.896 10.846 -0.397 1.00 0.00 C ATOM 597 OG SER A 41 7.852 11.771 -0.145 1.00 0.00 O ATOM 0 H SER A 41 10.356 8.882 -0.524 1.00 0.00 H new ATOM 0 HA SER A 41 7.746 9.084 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.560 10.801 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.493 11.191 -1.241 1.00 0.00 H new ATOM 0 HG SER A 41 8.235 12.653 0.043 1.00 0.00 H new ATOM 603 N LEU A 42 7.996 9.871 -3.066 1.00 0.00 N ATOM 604 CA LEU A 42 7.214 9.989 -4.284 1.00 0.00 C ATOM 605 C LEU A 42 6.877 8.594 -4.794 1.00 0.00 C ATOM 606 O LEU A 42 5.752 8.321 -5.187 1.00 0.00 O ATOM 607 CB LEU A 42 7.992 10.779 -5.347 1.00 0.00 C ATOM 608 CG LEU A 42 7.145 11.557 -6.370 1.00 0.00 C ATOM 609 CD1 LEU A 42 6.226 10.630 -7.155 1.00 0.00 C ATOM 610 CD2 LEU A 42 6.337 12.642 -5.677 1.00 0.00 C ATOM 0 H LEU A 42 8.985 10.099 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 42 6.291 10.530 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.648 11.485 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.632 10.084 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 42 7.829 12.025 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.643 11.213 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.824 9.894 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.552 10.118 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.744 13.182 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.674 12.188 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.013 13.336 -5.177 1.00 0.00 H new ATOM 622 N SER A 43 7.864 7.713 -4.748 1.00 0.00 N ATOM 623 CA SER A 43 7.718 6.350 -5.244 1.00 0.00 C ATOM 624 C SER A 43 6.510 5.645 -4.622 1.00 0.00 C ATOM 625 O SER A 43 5.664 5.088 -5.337 1.00 0.00 O ATOM 626 CB SER A 43 8.995 5.569 -4.949 1.00 0.00 C ATOM 627 OG SER A 43 10.121 6.236 -5.494 1.00 0.00 O ATOM 0 H SER A 43 8.787 7.920 -4.367 1.00 0.00 H new ATOM 0 HA SER A 43 7.549 6.393 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.118 5.455 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.920 4.566 -5.369 1.00 0.00 H new ATOM 0 HG SER A 43 10.878 5.616 -5.540 1.00 0.00 H new ATOM 633 N MET A 44 6.427 5.679 -3.295 1.00 0.00 N ATOM 634 CA MET A 44 5.327 5.047 -2.583 1.00 0.00 C ATOM 635 C MET A 44 4.009 5.697 -2.951 1.00 0.00 C ATOM 636 O MET A 44 3.055 5.015 -3.291 1.00 0.00 O ATOM 637 CB MET A 44 5.545 5.076 -1.060 1.00 0.00 C ATOM 638 CG MET A 44 5.933 6.434 -0.487 1.00 0.00 C ATOM 639 SD MET A 44 6.584 6.348 1.194 1.00 0.00 S ATOM 640 CE MET A 44 5.335 5.357 2.008 1.00 0.00 C ATOM 0 H MET A 44 7.110 6.139 -2.693 1.00 0.00 H new ATOM 0 HA MET A 44 5.294 4.001 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.630 4.741 -0.571 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.323 4.356 -0.806 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.681 6.892 -1.134 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.060 7.086 -0.497 1.00 0.00 H new ATOM 0 HE1 MET A 44 5.336 5.575 3.076 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.356 5.592 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.551 4.300 1.853 1.00 0.00 H new ATOM 650 N VAL A 45 3.964 7.012 -2.935 1.00 0.00 N ATOM 651 CA VAL A 45 2.737 7.710 -3.269 1.00 0.00 C ATOM 652 C VAL A 45 2.369 7.494 -4.741 1.00 0.00 C ATOM 653 O VAL A 45 1.210 7.572 -5.112 1.00 0.00 O ATOM 654 CB VAL A 45 2.849 9.215 -2.939 1.00 0.00 C ATOM 655 CG1 VAL A 45 1.595 9.972 -3.362 1.00 0.00 C ATOM 656 CG2 VAL A 45 3.094 9.397 -1.445 1.00 0.00 C ATOM 0 H VAL A 45 4.752 7.615 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 45 1.936 7.294 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 45 3.690 9.625 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.707 11.028 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.450 9.864 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.730 9.566 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.172 10.460 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.264 8.965 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.021 8.896 -1.165 1.00 0.00 H new ATOM 666 N GLU A 46 3.342 7.157 -5.572 1.00 0.00 N ATOM 667 CA GLU A 46 3.093 7.049 -7.002 1.00 0.00 C ATOM 668 C GLU A 46 2.326 5.768 -7.350 1.00 0.00 C ATOM 669 O GLU A 46 1.141 5.813 -7.721 1.00 0.00 O ATOM 670 CB GLU A 46 4.428 7.081 -7.755 1.00 0.00 C ATOM 671 CG GLU A 46 4.295 6.941 -9.261 1.00 0.00 C ATOM 672 CD GLU A 46 3.571 8.110 -9.892 1.00 0.00 C ATOM 673 OE1 GLU A 46 4.237 9.110 -10.234 1.00 0.00 O ATOM 674 OE2 GLU A 46 2.336 8.040 -10.052 1.00 0.00 O ATOM 0 H GLU A 46 4.300 6.956 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 46 2.475 7.894 -7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.936 8.019 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.063 6.278 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.287 6.852 -9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.760 6.020 -9.491 1.00 0.00 H new ATOM 681 N VAL A 47 2.956 4.616 -7.164 1.00 0.00 N ATOM 682 CA VAL A 47 2.330 3.384 -7.592 1.00 0.00 C ATOM 683 C VAL A 47 1.367 2.867 -6.527 1.00 0.00 C ATOM 684 O VAL A 47 0.422 2.145 -6.833 1.00 0.00 O ATOM 685 CB VAL A 47 3.379 2.312 -7.958 1.00 0.00 C ATOM 686 CG1 VAL A 47 2.745 1.172 -8.740 1.00 0.00 C ATOM 687 CG2 VAL A 47 4.515 2.931 -8.760 1.00 0.00 C ATOM 0 H VAL A 47 3.874 4.514 -6.732 1.00 0.00 H new ATOM 0 HA VAL A 47 1.757 3.600 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 47 3.783 1.906 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.506 0.431 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.966 0.706 -8.137 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.308 1.561 -9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.246 2.162 -9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.118 3.366 -9.677 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.996 3.710 -8.168 1.00 0.00 H new ATOM 697 N VAL A 48 1.567 3.273 -5.277 1.00 0.00 N ATOM 698 CA VAL A 48 0.678 2.831 -4.211 1.00 0.00 C ATOM 699 C VAL A 48 -0.615 3.659 -4.221 1.00 0.00 C ATOM 700 O VAL A 48 -1.652 3.203 -3.744 1.00 0.00 O ATOM 701 CB VAL A 48 1.366 2.864 -2.824 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.469 2.295 -1.734 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.674 2.090 -2.874 1.00 0.00 C ATOM 0 H VAL A 48 2.320 3.894 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 48 0.422 1.789 -4.401 1.00 0.00 H new ATOM 0 HB VAL A 48 1.566 3.907 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.989 2.336 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.448 2.881 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.223 1.259 -1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.151 2.118 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.474 1.055 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.336 2.541 -3.613 1.00 0.00 H new ATOM 713 N VAL A 49 -0.569 4.866 -4.799 1.00 0.00 N ATOM 714 CA VAL A 49 -1.804 5.591 -5.104 1.00 0.00 C ATOM 715 C VAL A 49 -2.551 4.866 -6.214 1.00 0.00 C ATOM 716 O VAL A 49 -3.776 4.769 -6.203 1.00 0.00 O ATOM 717 CB VAL A 49 -1.553 7.070 -5.500 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.595 7.584 -6.482 1.00 0.00 C ATOM 719 CG2 VAL A 49 -1.556 7.949 -4.261 1.00 0.00 C ATOM 0 H VAL A 49 0.290 5.350 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.406 5.612 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.579 7.112 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.379 8.623 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.569 6.981 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.585 7.517 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.379 8.985 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.522 7.871 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.769 7.622 -3.581 1.00 0.00 H new ATOM 729 N ALA A 50 -1.807 4.324 -7.168 1.00 0.00 N ATOM 730 CA ALA A 50 -2.414 3.472 -8.180 1.00 0.00 C ATOM 731 C ALA A 50 -3.011 2.214 -7.532 1.00 0.00 C ATOM 732 O ALA A 50 -3.943 1.607 -8.059 1.00 0.00 O ATOM 733 CB ALA A 50 -1.391 3.102 -9.243 1.00 0.00 C ATOM 0 H ALA A 50 -0.800 4.456 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.222 4.022 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.860 2.465 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.017 4.008 -9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.562 2.567 -8.780 1.00 0.00 H new ATOM 739 N ALA A 51 -2.471 1.842 -6.372 1.00 0.00 N ATOM 740 CA ALA A 51 -2.916 0.649 -5.655 1.00 0.00 C ATOM 741 C ALA A 51 -4.162 0.908 -4.816 1.00 0.00 C ATOM 742 O ALA A 51 -5.031 0.046 -4.714 1.00 0.00 O ATOM 743 CB ALA A 51 -1.803 0.116 -4.774 1.00 0.00 C ATOM 0 H ALA A 51 -1.721 2.353 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.176 -0.096 -6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.150 -0.773 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.942 -0.141 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.515 0.878 -4.050 1.00 0.00 H new ATOM 749 N GLU A 52 -4.258 2.079 -4.209 1.00 0.00 N ATOM 750 CA GLU A 52 -5.415 2.398 -3.386 1.00 0.00 C ATOM 751 C GLU A 52 -6.659 2.510 -4.254 1.00 0.00 C ATOM 752 O GLU A 52 -7.687 1.882 -3.990 1.00 0.00 O ATOM 753 CB GLU A 52 -5.190 3.696 -2.602 1.00 0.00 C ATOM 754 CG GLU A 52 -4.778 4.873 -3.468 1.00 0.00 C ATOM 755 CD GLU A 52 -5.108 6.207 -2.844 1.00 0.00 C ATOM 756 OE1 GLU A 52 -6.169 6.314 -2.210 1.00 0.00 O ATOM 757 OE2 GLU A 52 -4.317 7.157 -3.004 1.00 0.00 O ATOM 0 H GLU A 52 -3.558 2.818 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.558 1.591 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.107 3.952 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.421 3.525 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.706 4.821 -3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.275 4.797 -4.435 1.00 0.00 H new ATOM 764 N GLU A 53 -6.533 3.261 -5.329 1.00 0.00 N ATOM 765 CA GLU A 53 -7.663 3.598 -6.165 1.00 0.00 C ATOM 766 C GLU A 53 -8.175 2.390 -6.947 1.00 0.00 C ATOM 767 O GLU A 53 -9.344 2.352 -7.336 1.00 0.00 O ATOM 768 CB GLU A 53 -7.269 4.719 -7.111 1.00 0.00 C ATOM 769 CG GLU A 53 -6.677 5.923 -6.398 1.00 0.00 C ATOM 770 CD GLU A 53 -6.256 7.025 -7.346 1.00 0.00 C ATOM 771 OE1 GLU A 53 -6.247 6.791 -8.577 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.943 8.137 -6.869 1.00 0.00 O ATOM 0 H GLU A 53 -5.646 3.653 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.479 3.928 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.545 4.340 -7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.146 5.034 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.410 6.317 -5.694 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.813 5.604 -5.814 1.00 0.00 H new ATOM 779 N ARG A 54 -7.315 1.393 -7.163 1.00 0.00 N ATOM 780 CA ARG A 54 -7.734 0.181 -7.866 1.00 0.00 C ATOM 781 C ARG A 54 -8.625 -0.676 -6.965 1.00 0.00 C ATOM 782 O ARG A 54 -9.240 -1.640 -7.418 1.00 0.00 O ATOM 783 CB ARG A 54 -6.529 -0.643 -8.350 1.00 0.00 C ATOM 784 CG ARG A 54 -5.737 -1.302 -7.231 1.00 0.00 C ATOM 785 CD ARG A 54 -4.552 -2.098 -7.760 1.00 0.00 C ATOM 786 NE ARG A 54 -4.970 -3.277 -8.520 1.00 0.00 N ATOM 787 CZ ARG A 54 -4.130 -4.127 -9.107 1.00 0.00 C ATOM 788 NH1 ARG A 54 -2.816 -3.965 -9.001 1.00 0.00 N ATOM 789 NH2 ARG A 54 -4.608 -5.158 -9.790 1.00 0.00 N ATOM 0 H ARG A 54 -6.339 1.400 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.301 0.492 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.882 -1.415 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.863 0.007 -8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.380 -0.537 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.393 -1.963 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.941 -1.457 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.925 -2.410 -6.925 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.970 -3.459 -8.605 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.440 -3.183 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.183 -4.623 -9.455 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.616 -5.298 -9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.968 -5.812 -10.241 1.00 0.00 H new ATOM 803 N PHE A 55 -8.681 -0.319 -5.684 1.00 0.00 N ATOM 804 CA PHE A 55 -9.560 -0.986 -4.735 1.00 0.00 C ATOM 805 C PHE A 55 -10.704 -0.064 -4.331 1.00 0.00 C ATOM 806 O PHE A 55 -11.345 -0.266 -3.299 1.00 0.00 O ATOM 807 CB PHE A 55 -8.778 -1.449 -3.503 1.00 0.00 C ATOM 808 CG PHE A 55 -7.939 -2.672 -3.764 1.00 0.00 C ATOM 809 CD1 PHE A 55 -8.535 -3.920 -3.844 1.00 0.00 C ATOM 810 CD2 PHE A 55 -6.569 -2.575 -3.936 1.00 0.00 C ATOM 811 CE1 PHE A 55 -7.780 -5.049 -4.090 1.00 0.00 C ATOM 812 CE2 PHE A 55 -5.808 -3.703 -4.182 1.00 0.00 C ATOM 813 CZ PHE A 55 -6.416 -4.942 -4.261 1.00 0.00 C ATOM 0 H PHE A 55 -8.123 0.434 -5.280 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.982 -1.867 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.133 -0.639 -3.163 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.477 -1.661 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.603 -4.011 -3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.090 -1.609 -3.877 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.258 -6.016 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.739 -3.616 -4.312 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.824 -5.824 -4.456 1.00 0.00 H new ATOM 823 N ASP A 56 -10.940 0.953 -5.163 1.00 0.00 N ATOM 824 CA ASP A 56 -12.097 1.844 -5.031 1.00 0.00 C ATOM 825 C ASP A 56 -12.032 2.702 -3.770 1.00 0.00 C ATOM 826 O ASP A 56 -13.064 3.133 -3.252 1.00 0.00 O ATOM 827 CB ASP A 56 -13.409 1.045 -5.058 1.00 0.00 C ATOM 828 CG ASP A 56 -13.653 0.362 -6.390 1.00 0.00 C ATOM 829 OD1 ASP A 56 -14.187 1.012 -7.312 1.00 0.00 O ATOM 830 OD2 ASP A 56 -13.314 -0.830 -6.523 1.00 0.00 O ATOM 0 H ASP A 56 -10.333 1.183 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.070 2.518 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.388 0.294 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.241 1.714 -4.840 1.00 0.00 H new ATOM 835 N VAL A 57 -10.826 2.971 -3.284 1.00 0.00 N ATOM 836 CA VAL A 57 -10.656 3.881 -2.162 1.00 0.00 C ATOM 837 C VAL A 57 -9.822 5.081 -2.593 1.00 0.00 C ATOM 838 O VAL A 57 -9.073 5.003 -3.566 1.00 0.00 O ATOM 839 CB VAL A 57 -9.968 3.185 -0.970 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.532 2.847 -1.315 1.00 0.00 C ATOM 841 CG2 VAL A 57 -10.034 4.041 0.289 1.00 0.00 C ATOM 0 H VAL A 57 -9.959 2.575 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.646 4.208 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.505 2.259 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.059 2.356 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.512 2.179 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.990 3.762 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.540 3.520 1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.533 4.992 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.076 4.224 0.551 1.00 0.00 H new ATOM 851 N LYS A 58 -9.983 6.196 -1.897 1.00 0.00 N ATOM 852 CA LYS A 58 -9.103 7.329 -2.091 1.00 0.00 C ATOM 853 C LYS A 58 -8.669 7.905 -0.751 1.00 0.00 C ATOM 854 O LYS A 58 -9.487 8.414 0.021 1.00 0.00 O ATOM 855 CB LYS A 58 -9.745 8.416 -2.957 1.00 0.00 C ATOM 856 CG LYS A 58 -8.748 9.491 -3.365 1.00 0.00 C ATOM 857 CD LYS A 58 -7.506 8.864 -3.984 1.00 0.00 C ATOM 858 CE LYS A 58 -6.349 9.843 -4.071 1.00 0.00 C ATOM 859 NZ LYS A 58 -5.102 9.168 -4.520 1.00 0.00 N ATOM 0 H LYS A 58 -10.712 6.337 -1.197 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.223 6.966 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.172 7.961 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.568 8.875 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.212 10.173 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.467 10.083 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.204 8.000 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.745 8.498 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.600 10.646 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.185 10.303 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.432 9.879 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.675 8.660 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.327 8.493 -5.279 1.00 0.00 H new ATOM 873 N ILE A 59 -7.381 7.800 -0.484 1.00 0.00 N ATOM 874 CA ILE A 59 -6.786 8.353 0.716 1.00 0.00 C ATOM 875 C ILE A 59 -6.025 9.631 0.364 1.00 0.00 C ATOM 876 O ILE A 59 -5.754 9.889 -0.813 1.00 0.00 O ATOM 877 CB ILE A 59 -5.819 7.342 1.383 1.00 0.00 C ATOM 878 CG1 ILE A 59 -4.570 7.126 0.526 1.00 0.00 C ATOM 879 CG2 ILE A 59 -6.518 6.010 1.630 1.00 0.00 C ATOM 880 CD1 ILE A 59 -3.594 6.138 1.125 1.00 0.00 C ATOM 0 H ILE A 59 -6.716 7.327 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.586 8.575 1.422 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.511 7.761 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.872 6.775 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.066 8.082 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.821 5.315 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.374 6.165 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.859 5.597 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.732 6.033 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.264 6.498 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.082 5.170 1.242 1.00 0.00 H new ATOM 892 N PRO A 60 -5.695 10.469 1.360 1.00 0.00 N ATOM 893 CA PRO A 60 -4.891 11.665 1.129 1.00 0.00 C ATOM 894 C PRO A 60 -3.512 11.305 0.583 1.00 0.00 C ATOM 895 O PRO A 60 -2.850 10.405 1.100 1.00 0.00 O ATOM 896 CB PRO A 60 -4.775 12.313 2.514 1.00 0.00 C ATOM 897 CG PRO A 60 -5.872 11.709 3.319 1.00 0.00 C ATOM 898 CD PRO A 60 -6.079 10.325 2.772 1.00 0.00 C ATOM 0 HA PRO A 60 -5.340 12.329 0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.802 12.113 2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.882 13.396 2.453 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.606 11.674 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.784 12.300 3.239 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.459 9.590 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.114 9.999 2.878 1.00 0.00 H new ATOM 906 N ASP A 61 -3.099 11.994 -0.472 1.00 0.00 N ATOM 907 CA ASP A 61 -1.811 11.739 -1.116 1.00 0.00 C ATOM 908 C ASP A 61 -0.681 11.726 -0.092 1.00 0.00 C ATOM 909 O ASP A 61 0.098 10.770 -0.009 1.00 0.00 O ATOM 910 CB ASP A 61 -1.530 12.812 -2.175 1.00 0.00 C ATOM 911 CG ASP A 61 -2.520 12.784 -3.324 1.00 0.00 C ATOM 912 OD1 ASP A 61 -3.671 13.242 -3.138 1.00 0.00 O ATOM 913 OD2 ASP A 61 -2.145 12.329 -4.423 1.00 0.00 O ATOM 0 H ASP A 61 -3.641 12.741 -0.906 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.860 10.760 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.556 13.795 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.523 12.673 -2.567 1.00 0.00 H new ATOM 918 N ASP A 62 -0.631 12.781 0.712 1.00 0.00 N ATOM 919 CA ASP A 62 0.412 12.946 1.721 1.00 0.00 C ATOM 920 C ASP A 62 0.375 11.835 2.765 1.00 0.00 C ATOM 921 O ASP A 62 1.372 11.581 3.441 1.00 0.00 O ATOM 922 CB ASP A 62 0.267 14.298 2.425 1.00 0.00 C ATOM 923 CG ASP A 62 0.484 15.476 1.496 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.642 15.909 1.342 1.00 0.00 O ATOM 925 OD2 ASP A 62 -0.507 15.985 0.925 1.00 0.00 O ATOM 0 H ASP A 62 -1.308 13.544 0.685 1.00 0.00 H new ATOM 0 HA ASP A 62 1.368 12.898 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.728 14.368 2.865 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.983 14.353 3.245 1.00 0.00 H new ATOM 930 N ASP A 63 -0.767 11.164 2.887 1.00 0.00 N ATOM 931 CA ASP A 63 -0.956 10.178 3.944 1.00 0.00 C ATOM 932 C ASP A 63 -0.132 8.924 3.674 1.00 0.00 C ATOM 933 O ASP A 63 0.379 8.314 4.606 1.00 0.00 O ATOM 934 CB ASP A 63 -2.435 9.813 4.110 1.00 0.00 C ATOM 935 CG ASP A 63 -2.721 9.154 5.449 1.00 0.00 C ATOM 936 OD1 ASP A 63 -2.600 7.917 5.554 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.077 9.881 6.406 1.00 0.00 O ATOM 0 H ASP A 63 -1.571 11.285 2.270 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.610 10.628 4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.042 10.713 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.733 9.140 3.306 1.00 0.00 H new ATOM 942 N VAL A 64 0.028 8.548 2.400 1.00 0.00 N ATOM 943 CA VAL A 64 0.845 7.376 2.064 1.00 0.00 C ATOM 944 C VAL A 64 2.274 7.583 2.556 1.00 0.00 C ATOM 945 O VAL A 64 2.907 6.672 3.074 1.00 0.00 O ATOM 946 CB VAL A 64 0.879 7.077 0.542 1.00 0.00 C ATOM 947 CG1 VAL A 64 1.649 5.793 0.263 1.00 0.00 C ATOM 948 CG2 VAL A 64 -0.526 6.985 -0.041 1.00 0.00 C ATOM 0 H VAL A 64 -0.387 9.026 1.600 1.00 0.00 H new ATOM 0 HA VAL A 64 0.382 6.522 2.559 1.00 0.00 H new ATOM 0 HB VAL A 64 1.391 7.908 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.661 5.602 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.672 5.896 0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.166 4.961 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.464 6.775 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.074 6.184 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.046 7.930 0.113 1.00 0.00 H new ATOM 958 N LYS A 65 2.755 8.806 2.406 1.00 0.00 N ATOM 959 CA LYS A 65 4.085 9.190 2.861 1.00 0.00 C ATOM 960 C LYS A 65 4.137 9.275 4.394 1.00 0.00 C ATOM 961 O LYS A 65 5.206 9.195 5.005 1.00 0.00 O ATOM 962 CB LYS A 65 4.447 10.533 2.209 1.00 0.00 C ATOM 963 CG LYS A 65 5.725 11.181 2.714 1.00 0.00 C ATOM 964 CD LYS A 65 6.898 10.223 2.706 1.00 0.00 C ATOM 965 CE LYS A 65 8.194 10.944 3.039 1.00 0.00 C ATOM 966 NZ LYS A 65 8.000 12.027 4.043 1.00 0.00 N ATOM 0 H LYS A 65 2.234 9.564 1.964 1.00 0.00 H new ATOM 0 HA LYS A 65 4.814 8.435 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.537 10.382 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.622 11.227 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.961 12.046 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.567 11.550 3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.725 9.426 3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.981 9.753 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.919 10.225 3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.615 11.369 2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.925 12.327 4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.527 12.837 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.412 11.674 4.825 1.00 0.00 H new ATOM 980 N ASN A 66 2.974 9.411 5.011 1.00 0.00 N ATOM 981 CA ASN A 66 2.886 9.563 6.458 1.00 0.00 C ATOM 982 C ASN A 66 3.131 8.231 7.165 1.00 0.00 C ATOM 983 O ASN A 66 3.738 8.188 8.237 1.00 0.00 O ATOM 984 CB ASN A 66 1.521 10.134 6.847 1.00 0.00 C ATOM 985 CG ASN A 66 1.373 10.350 8.339 1.00 0.00 C ATOM 986 OD1 ASN A 66 0.889 9.479 9.065 1.00 0.00 O ATOM 987 ND2 ASN A 66 1.806 11.508 8.809 1.00 0.00 N ATOM 0 H ASN A 66 2.074 9.419 4.532 1.00 0.00 H new ATOM 0 HA ASN A 66 3.662 10.259 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.370 11.082 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.739 9.457 6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.746 11.708 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.200 12.201 8.173 1.00 0.00 H new ATOM 994 N LEU A 67 2.678 7.148 6.550 1.00 0.00 N ATOM 995 CA LEU A 67 2.840 5.813 7.119 1.00 0.00 C ATOM 996 C LEU A 67 4.226 5.248 6.851 1.00 0.00 C ATOM 997 O LEU A 67 4.896 5.625 5.890 1.00 0.00 O ATOM 998 CB LEU A 67 1.751 4.878 6.589 1.00 0.00 C ATOM 999 CG LEU A 67 1.494 4.928 5.084 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.810 3.592 4.439 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.048 5.309 4.809 1.00 0.00 C ATOM 0 H LEU A 67 2.193 7.166 5.653 1.00 0.00 H new ATOM 0 HA LEU A 67 2.735 5.894 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.017 3.856 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.819 5.111 7.104 1.00 0.00 H new ATOM 0 HG LEU A 67 2.149 5.684 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.620 3.651 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.858 3.345 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.180 2.818 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.121 5.341 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.615 4.570 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.158 6.290 5.238 1.00 0.00 H new ATOM 1013 N LYS A 68 4.661 4.351 7.726 1.00 0.00 N ATOM 1014 CA LYS A 68 6.010 3.815 7.653 1.00 0.00 C ATOM 1015 C LYS A 68 6.006 2.401 7.109 1.00 0.00 C ATOM 1016 O LYS A 68 6.974 1.972 6.494 1.00 0.00 O ATOM 1017 CB LYS A 68 6.694 3.831 9.025 1.00 0.00 C ATOM 1018 CG LYS A 68 6.953 5.226 9.579 1.00 0.00 C ATOM 1019 CD LYS A 68 5.700 5.841 10.184 1.00 0.00 C ATOM 1020 CE LYS A 68 5.942 7.277 10.608 1.00 0.00 C ATOM 1021 NZ LYS A 68 6.154 8.173 9.440 1.00 0.00 N ATOM 0 H LYS A 68 4.099 3.981 8.493 1.00 0.00 H new ATOM 0 HA LYS A 68 6.571 4.457 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.075 3.281 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.643 3.300 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.734 5.176 10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.324 5.870 8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.888 5.806 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.383 5.253 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.090 7.632 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.813 7.320 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.130 9.164 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.078 7.969 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.402 8.013 8.739 1.00 0.00 H new ATOM 1035 N THR A 69 4.925 1.676 7.340 1.00 0.00 N ATOM 1036 CA THR A 69 4.828 0.302 6.886 1.00 0.00 C ATOM 1037 C THR A 69 3.798 0.206 5.781 1.00 0.00 C ATOM 1038 O THR A 69 2.912 1.055 5.686 1.00 0.00 O ATOM 1039 CB THR A 69 4.426 -0.644 8.035 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.039 -0.481 8.345 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.251 -0.347 9.273 1.00 0.00 C ATOM 0 H THR A 69 4.103 2.017 7.839 1.00 0.00 H new ATOM 0 HA THR A 69 5.808 -0.001 6.518 1.00 0.00 H new ATOM 0 HB THR A 69 4.609 -1.670 7.716 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.794 -1.087 9.075 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.957 -1.022 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.308 -0.489 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.081 0.684 9.585 1.00 0.00 H new ATOM 1049 N VAL A 70 3.904 -0.813 4.944 1.00 0.00 N ATOM 1050 CA VAL A 70 2.890 -1.034 3.933 1.00 0.00 C ATOM 1051 C VAL A 70 1.565 -1.357 4.611 1.00 0.00 C ATOM 1052 O VAL A 70 0.499 -0.961 4.140 1.00 0.00 O ATOM 1053 CB VAL A 70 3.299 -2.147 2.933 1.00 0.00 C ATOM 1054 CG1 VAL A 70 3.990 -3.290 3.646 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.099 -2.662 2.144 1.00 0.00 C ATOM 0 H VAL A 70 4.669 -1.488 4.945 1.00 0.00 H new ATOM 0 HA VAL A 70 2.780 -0.121 3.348 1.00 0.00 H new ATOM 0 HB VAL A 70 4.000 -1.704 2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.266 -4.057 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.887 -2.920 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.315 -3.718 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.424 -3.440 1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.360 -3.073 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.654 -1.841 1.582 1.00 0.00 H new ATOM 1065 N GLY A 71 1.657 -1.999 5.768 1.00 0.00 N ATOM 1066 CA GLY A 71 0.477 -2.395 6.499 1.00 0.00 C ATOM 1067 C GLY A 71 -0.375 -1.220 6.940 1.00 0.00 C ATOM 1068 O GLY A 71 -1.604 -1.316 6.954 1.00 0.00 O ATOM 0 H GLY A 71 2.538 -2.253 6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.124 -3.057 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.776 -2.968 7.377 1.00 0.00 H new ATOM 1072 N ASP A 72 0.278 -0.112 7.297 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.427 1.104 7.702 1.00 0.00 C ATOM 1074 C ASP A 72 -1.385 1.549 6.612 1.00 0.00 C ATOM 1075 O ASP A 72 -2.586 1.680 6.847 1.00 0.00 O ATOM 1076 CB ASP A 72 0.546 2.249 7.987 1.00 0.00 C ATOM 1077 CG ASP A 72 1.477 1.988 9.149 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.983 1.737 10.265 1.00 0.00 O ATOM 1079 OD2 ASP A 72 2.710 2.048 8.948 1.00 0.00 O ATOM 0 H ASP A 72 1.295 -0.033 7.314 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.976 0.867 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.141 2.438 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.024 3.156 8.188 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.840 1.777 5.418 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.648 2.158 4.264 1.00 0.00 C ATOM 1086 C ALA A 73 -2.723 1.137 4.018 1.00 0.00 C ATOM 1087 O ALA A 73 -3.872 1.478 3.770 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.806 2.264 3.009 1.00 0.00 C ATOM 0 H ALA A 73 0.159 1.704 5.226 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.088 3.130 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.439 2.549 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.032 3.018 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.340 1.301 2.801 1.00 0.00 H new ATOM 1094 N THR A 74 -2.330 -0.122 4.086 1.00 0.00 N ATOM 1095 CA THR A 74 -3.227 -1.210 3.800 1.00 0.00 C ATOM 1096 C THR A 74 -4.463 -1.142 4.695 1.00 0.00 C ATOM 1097 O THR A 74 -5.581 -1.101 4.197 1.00 0.00 O ATOM 1098 CB THR A 74 -2.522 -2.565 3.963 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.280 -2.557 3.254 1.00 0.00 O ATOM 1100 CG2 THR A 74 -3.388 -3.660 3.403 1.00 0.00 C ATOM 0 H THR A 74 -1.385 -0.411 4.340 1.00 0.00 H new ATOM 0 HA THR A 74 -3.545 -1.115 2.762 1.00 0.00 H new ATOM 0 HB THR A 74 -2.341 -2.739 5.024 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.583 -2.165 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.884 -4.619 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.338 -3.682 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.571 -3.474 2.345 1.00 0.00 H new ATOM 1108 N LYS A 75 -4.260 -1.074 6.008 1.00 0.00 N ATOM 1109 CA LYS A 75 -5.379 -1.009 6.943 1.00 0.00 C ATOM 1110 C LYS A 75 -6.138 0.306 6.768 1.00 0.00 C ATOM 1111 O LYS A 75 -7.364 0.346 6.866 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.895 -1.140 8.393 1.00 0.00 C ATOM 1113 CG LYS A 75 -6.027 -1.335 9.395 1.00 0.00 C ATOM 1114 CD LYS A 75 -6.561 -2.763 9.369 1.00 0.00 C ATOM 1115 CE LYS A 75 -5.631 -3.708 10.110 1.00 0.00 C ATOM 1116 NZ LYS A 75 -5.653 -3.475 11.578 1.00 0.00 N ATOM 0 H LYS A 75 -3.339 -1.063 6.446 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.047 -1.843 6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.208 -1.983 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.332 -0.246 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.671 -1.097 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.836 -0.640 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.552 -2.792 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.673 -3.094 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.920 -4.738 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.614 -3.581 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.262 -4.306 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.079 -2.638 11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.633 -3.318 11.890 1.00 0.00 H new ATOM 1130 N TYR A 76 -5.398 1.378 6.502 1.00 0.00 N ATOM 1131 CA TYR A 76 -5.991 2.686 6.250 1.00 0.00 C ATOM 1132 C TYR A 76 -6.924 2.605 5.038 1.00 0.00 C ATOM 1133 O TYR A 76 -8.019 3.167 5.038 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.873 3.706 6.014 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.299 5.160 6.051 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.370 5.856 7.254 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.601 5.846 4.883 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -5.733 7.194 7.286 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.956 7.183 4.905 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.024 7.853 6.108 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.366 9.192 6.131 1.00 0.00 O ATOM 0 H TYR A 76 -4.379 1.365 6.455 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.579 3.003 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.100 3.553 6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.418 3.503 5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.139 5.346 8.177 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.558 5.326 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.788 7.718 8.228 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.179 7.700 3.983 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.555 9.735 6.214 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.470 1.889 4.018 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.274 1.601 2.838 1.00 0.00 C ATOM 1153 C ILE A 77 -8.467 0.730 3.197 1.00 0.00 C ATOM 1154 O ILE A 77 -9.600 1.022 2.829 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.427 0.884 1.757 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.465 1.871 1.093 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.310 0.206 0.713 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.467 1.211 0.166 1.00 0.00 C ATOM 0 H ILE A 77 -5.532 1.491 3.986 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.630 2.552 2.442 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.845 0.106 2.250 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.042 2.605 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.925 2.416 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.682 -0.287 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.946 -0.534 1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.933 0.954 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.817 1.970 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.865 0.497 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.999 0.689 -0.630 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.197 -0.331 3.933 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.196 -1.344 4.238 1.00 0.00 C ATOM 1172 C LEU A 78 -10.338 -0.798 5.090 1.00 0.00 C ATOM 1173 O LEU A 78 -11.509 -1.069 4.818 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.527 -2.523 4.937 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.455 -3.227 4.102 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.861 -4.398 4.871 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -8.064 -3.696 2.794 1.00 0.00 C ATOM 0 H LEU A 78 -7.279 -0.517 4.338 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.636 -1.672 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.075 -2.171 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.292 -3.249 5.211 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.648 -2.526 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.101 -4.886 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.408 -4.035 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.648 -5.113 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.302 -4.198 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.879 -4.390 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.449 -2.838 2.243 1.00 0.00 H new ATOM 1189 N ASP A 79 -10.002 -0.025 6.109 1.00 0.00 N ATOM 1190 CA ASP A 79 -11.010 0.510 7.019 1.00 0.00 C ATOM 1191 C ASP A 79 -11.641 1.791 6.490 1.00 0.00 C ATOM 1192 O ASP A 79 -12.576 2.317 7.091 1.00 0.00 O ATOM 1193 CB ASP A 79 -10.414 0.762 8.404 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.488 -0.463 9.290 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -9.673 -1.386 9.106 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -11.372 -0.505 10.175 1.00 0.00 O ATOM 0 H ASP A 79 -9.044 0.247 6.329 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.794 -0.243 7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.374 1.070 8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.944 1.586 8.881 1.00 0.00 H new ATOM 1201 N HIS A 80 -11.139 2.298 5.372 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.685 3.519 4.787 1.00 0.00 C ATOM 1203 C HIS A 80 -12.070 3.326 3.326 1.00 0.00 C ATOM 1204 O HIS A 80 -12.287 4.301 2.606 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.692 4.682 4.900 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.648 5.314 6.255 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -11.164 6.564 6.518 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -10.137 4.870 7.426 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -10.974 6.857 7.789 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.351 5.846 8.367 1.00 0.00 N ATOM 0 H HIS A 80 -10.361 1.888 4.854 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.584 3.758 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.695 4.321 4.646 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.953 5.442 4.164 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.649 3.920 7.591 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.277 7.772 8.277 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.075 5.799 9.348 1.00 0.00 H new ATOM 1219 N GLN A 81 -12.168 2.077 2.888 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.560 1.795 1.515 1.00 0.00 C ATOM 1221 C GLN A 81 -14.062 1.992 1.363 1.00 0.00 C ATOM 1222 O GLN A 81 -14.805 1.865 2.338 1.00 0.00 O ATOM 1223 CB GLN A 81 -12.145 0.377 1.105 1.00 0.00 C ATOM 1224 CG GLN A 81 -12.789 -0.727 1.927 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.179 -2.091 1.651 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.851 -3.114 1.734 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -10.897 -2.118 1.329 1.00 0.00 N ATOM 0 H GLN A 81 -11.983 1.251 3.458 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.045 2.489 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.398 0.227 0.055 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.062 0.290 1.188 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.685 -0.494 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.857 -0.760 1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.368 -1.248 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.437 -3.009 1.141 1.00 0.00 H new