USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 830 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 72 ASN : amide:sc= 0.0569 K(o=-4.3,f=-19!) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0) USER MOD Set 1.3: A 78 ASN :FLIP amide:sc= -5.63! C(o=-7.2!,f=-4.3!) USER MOD Set 2.1: A 31 SER OG : rot 95:sc= 0 USER MOD Set 2.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 SER OG : rot 170:sc= -0.475 USER MOD Set 3.2: A 66 TYR OH : rot -73:sc= 0.296 USER MOD Set 3.3: A 70 MET CE :methyl -158:sc= -2.87! (180deg=-2.41) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 158:sc= -4.09! (180deg=-4.68!) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0598) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.0077) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.656 (180deg=-1.73!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0551) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= -0.0142 (180deg=-0.187) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -138:sc= -0.102 (180deg=-1.38!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.899 K(o=-0.9,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0.104 (180deg=0.0742) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc=-0.000633 (180deg=-0.371) USER MOD Single : A 79 ASN : amide:sc= -0.296 K(o=-0.3,f=-0.98!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.0297 (180deg=-0.301) USER MOD Single : A 91 THR OG1 : rot -160:sc= -1.05 USER MOD Single : A 94 HIS : no HD1:sc= -0.412 X(o=-0.41,f=-0.061) USER MOD Single : A 98 MET CE :methyl 161:sc= -0.344 (180deg=-0.812) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.682 15.590 1.729 1.00 0.00 N ATOM 78 CA ALA A 9 -7.546 14.686 1.604 1.00 0.00 C ATOM 79 C ALA A 9 -7.735 13.444 2.469 1.00 0.00 C ATOM 80 O ALA A 9 -7.725 12.319 1.968 1.00 0.00 O ATOM 81 CB ALA A 9 -6.258 15.402 1.981 1.00 0.00 C ATOM 0 HA ALA A 9 -7.480 14.366 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.418 14.715 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.109 16.255 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.324 15.750 3.012 1.00 0.00 H new ATOM 87 N ASP A 10 -7.907 13.654 3.769 1.00 0.00 N ATOM 88 CA ASP A 10 -8.099 12.552 4.704 1.00 0.00 C ATOM 89 C ASP A 10 -9.019 11.490 4.110 1.00 0.00 C ATOM 90 O ASP A 10 -8.660 10.315 4.036 1.00 0.00 O ATOM 91 CB ASP A 10 -8.679 13.067 6.022 1.00 0.00 C ATOM 92 CG ASP A 10 -9.044 11.944 6.972 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.129 11.211 7.404 1.00 0.00 O ATOM 94 OD2 ASP A 10 -10.244 11.796 7.284 1.00 0.00 O ATOM 0 H ASP A 10 -7.917 14.579 4.200 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.127 12.099 4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.954 13.724 6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.565 13.667 5.816 1.00 0.00 H new ATOM 99 N GLN A 11 -10.207 11.912 3.688 1.00 0.00 N ATOM 100 CA GLN A 11 -11.179 10.996 3.103 1.00 0.00 C ATOM 101 C GLN A 11 -10.577 10.248 1.918 1.00 0.00 C ATOM 102 O GLN A 11 -10.615 9.018 1.864 1.00 0.00 O ATOM 103 CB GLN A 11 -12.427 11.760 2.657 1.00 0.00 C ATOM 104 CG GLN A 11 -13.576 10.857 2.240 1.00 0.00 C ATOM 105 CD GLN A 11 -14.478 10.487 3.401 1.00 0.00 C ATOM 106 OE1 GLN A 11 -14.012 10.010 4.436 1.00 0.00 O ATOM 107 NE2 GLN A 11 -15.778 10.704 3.234 1.00 0.00 N ATOM 0 H GLN A 11 -10.519 12.882 3.740 1.00 0.00 H new ATOM 0 HA GLN A 11 -11.459 10.269 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -12.759 12.404 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.166 12.411 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.166 11.357 1.472 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.175 9.948 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.120 11.101 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.434 10.473 3.981 1.00 0.00 H new ATOM 116 N ILE A 12 -10.022 10.997 0.972 1.00 0.00 N ATOM 117 CA ILE A 12 -9.411 10.404 -0.211 1.00 0.00 C ATOM 118 C ILE A 12 -8.508 9.233 0.164 1.00 0.00 C ATOM 119 O ILE A 12 -8.698 8.113 -0.309 1.00 0.00 O ATOM 120 CB ILE A 12 -8.587 11.440 -0.999 1.00 0.00 C ATOM 121 CG1 ILE A 12 -9.511 12.483 -1.632 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.750 10.750 -2.066 1.00 0.00 C ATOM 123 CD1 ILE A 12 -8.800 13.757 -2.029 1.00 0.00 C ATOM 0 H ILE A 12 -9.983 12.016 1.001 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.226 10.045 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.914 11.948 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.984 12.050 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -10.308 12.725 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.173 11.495 -2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.070 10.041 -1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.406 10.219 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.516 14.451 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.350 14.213 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.021 13.528 -2.756 1.00 0.00 H new ATOM 135 N ARG A 13 -7.527 9.500 1.020 1.00 0.00 N ATOM 136 CA ARG A 13 -6.595 8.469 1.460 1.00 0.00 C ATOM 137 C ARG A 13 -7.341 7.294 2.086 1.00 0.00 C ATOM 138 O ARG A 13 -7.105 6.139 1.733 1.00 0.00 O ATOM 139 CB ARG A 13 -5.598 9.048 2.466 1.00 0.00 C ATOM 140 CG ARG A 13 -4.818 10.239 1.933 1.00 0.00 C ATOM 141 CD ARG A 13 -4.435 11.198 3.049 1.00 0.00 C ATOM 142 NE ARG A 13 -3.861 10.501 4.197 1.00 0.00 N ATOM 143 CZ ARG A 13 -2.604 10.074 4.245 1.00 0.00 C ATOM 144 NH1 ARG A 13 -1.794 10.273 3.215 1.00 0.00 N ATOM 145 NH2 ARG A 13 -2.156 9.447 5.325 1.00 0.00 N ATOM 0 H ARG A 13 -7.357 10.422 1.423 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.051 8.109 0.587 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.135 9.349 3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.897 8.267 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.918 9.889 1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.417 10.765 1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.717 11.926 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.316 11.755 3.367 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.458 10.333 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.135 10.755 2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.829 9.944 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.777 9.292 6.119 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.191 9.119 5.361 1.00 0.00 H new ATOM 159 N GLN A 14 -8.240 7.598 3.016 1.00 0.00 N ATOM 160 CA GLN A 14 -9.018 6.567 3.691 1.00 0.00 C ATOM 161 C GLN A 14 -9.536 5.535 2.695 1.00 0.00 C ATOM 162 O GLN A 14 -9.307 4.336 2.852 1.00 0.00 O ATOM 163 CB GLN A 14 -10.190 7.196 4.447 1.00 0.00 C ATOM 164 CG GLN A 14 -10.649 6.380 5.645 1.00 0.00 C ATOM 165 CD GLN A 14 -12.124 6.563 5.945 1.00 0.00 C ATOM 166 OE1 GLN A 14 -12.624 7.687 5.998 1.00 0.00 O ATOM 167 NE2 GLN A 14 -12.830 5.456 6.143 1.00 0.00 N ATOM 0 H GLN A 14 -8.447 8.550 3.319 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.364 6.062 4.402 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.901 8.191 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -11.028 7.323 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.448 5.325 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.066 6.667 6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.375 4.545 6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -13.827 5.517 6.348 1.00 0.00 H new ATOM 176 N SER A 15 -10.234 6.010 1.668 1.00 0.00 N ATOM 177 CA SER A 15 -10.788 5.128 0.647 1.00 0.00 C ATOM 178 C SER A 15 -9.705 4.225 0.064 1.00 0.00 C ATOM 179 O SER A 15 -9.924 3.033 -0.152 1.00 0.00 O ATOM 180 CB SER A 15 -11.438 5.949 -0.468 1.00 0.00 C ATOM 181 OG SER A 15 -11.975 5.107 -1.474 1.00 0.00 O ATOM 0 H SER A 15 -10.429 7.000 1.521 1.00 0.00 H new ATOM 0 HA SER A 15 -11.546 4.501 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.229 6.573 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.700 6.621 -0.907 1.00 0.00 H new ATOM 0 HG SER A 15 -12.386 5.655 -2.174 1.00 0.00 H new ATOM 187 N VAL A 16 -8.535 4.802 -0.189 1.00 0.00 N ATOM 188 CA VAL A 16 -7.416 4.051 -0.746 1.00 0.00 C ATOM 189 C VAL A 16 -7.092 2.832 0.111 1.00 0.00 C ATOM 190 O VAL A 16 -7.071 1.703 -0.380 1.00 0.00 O ATOM 191 CB VAL A 16 -6.156 4.928 -0.868 1.00 0.00 C ATOM 192 CG1 VAL A 16 -4.997 4.122 -1.434 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.439 6.148 -1.732 1.00 0.00 C ATOM 0 H VAL A 16 -8.337 5.788 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.719 3.723 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.876 5.272 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.116 4.758 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.781 3.283 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.263 3.747 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.538 6.757 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.744 5.826 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.238 6.736 -1.280 1.00 0.00 H new ATOM 203 N ARG A 17 -6.840 3.068 1.394 1.00 0.00 N ATOM 204 CA ARG A 17 -6.516 1.989 2.320 1.00 0.00 C ATOM 205 C ARG A 17 -7.569 0.886 2.260 1.00 0.00 C ATOM 206 O ARG A 17 -7.274 -0.248 1.882 1.00 0.00 O ATOM 207 CB ARG A 17 -6.407 2.528 3.747 1.00 0.00 C ATOM 208 CG ARG A 17 -5.535 3.768 3.865 1.00 0.00 C ATOM 209 CD ARG A 17 -4.874 3.856 5.232 1.00 0.00 C ATOM 210 NE ARG A 17 -4.614 5.237 5.626 1.00 0.00 N ATOM 211 CZ ARG A 17 -5.552 6.060 6.085 1.00 0.00 C ATOM 212 NH1 ARG A 17 -6.804 5.641 6.206 1.00 0.00 N ATOM 213 NH2 ARG A 17 -5.237 7.303 6.423 1.00 0.00 N ATOM 0 H ARG A 17 -6.854 3.996 1.816 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.556 1.567 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.406 2.760 4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.003 1.747 4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.769 3.751 3.090 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.141 4.658 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.514 3.381 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.936 3.300 5.218 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.661 5.590 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.049 4.685 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.522 6.274 6.558 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.275 7.628 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.957 7.934 6.775 1.00 0.00 H new ATOM 227 N HIS A 18 -8.797 1.227 2.636 1.00 0.00 N ATOM 228 CA HIS A 18 -9.895 0.267 2.625 1.00 0.00 C ATOM 229 C HIS A 18 -9.927 -0.506 1.309 1.00 0.00 C ATOM 230 O HIS A 18 -9.791 -1.729 1.293 1.00 0.00 O ATOM 231 CB HIS A 18 -11.229 0.981 2.843 1.00 0.00 C ATOM 232 CG HIS A 18 -12.422 0.110 2.598 1.00 0.00 C ATOM 233 ND1 HIS A 18 -13.333 0.348 1.590 1.00 0.00 N ATOM 234 CD2 HIS A 18 -12.851 -1.004 3.235 1.00 0.00 C ATOM 235 CE1 HIS A 18 -14.271 -0.581 1.620 1.00 0.00 C ATOM 236 NE2 HIS A 18 -14.002 -1.414 2.609 1.00 0.00 N ATOM 0 H HIS A 18 -9.057 2.161 2.952 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.734 -0.440 3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.268 1.357 3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.280 1.847 2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.376 -1.482 4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.115 -0.648 0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.559 -2.229 2.866 1.00 0.00 H new ATOM 245 N SER A 19 -10.109 0.217 0.209 1.00 0.00 N ATOM 246 CA SER A 19 -10.164 -0.401 -1.111 1.00 0.00 C ATOM 247 C SER A 19 -9.069 -1.452 -1.265 1.00 0.00 C ATOM 248 O SER A 19 -9.349 -2.627 -1.511 1.00 0.00 O ATOM 249 CB SER A 19 -10.023 0.662 -2.202 1.00 0.00 C ATOM 250 OG SER A 19 -10.663 0.253 -3.398 1.00 0.00 O ATOM 0 H SER A 19 -10.221 1.231 0.205 1.00 0.00 H new ATOM 0 HA SER A 19 -11.132 -0.892 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.456 1.601 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.967 0.850 -2.397 1.00 0.00 H new ATOM 0 HG SER A 19 -10.700 1.007 -4.023 1.00 0.00 H new ATOM 256 N LEU A 20 -7.821 -1.022 -1.119 1.00 0.00 N ATOM 257 CA LEU A 20 -6.681 -1.925 -1.241 1.00 0.00 C ATOM 258 C LEU A 20 -6.916 -3.208 -0.450 1.00 0.00 C ATOM 259 O LEU A 20 -6.828 -4.310 -0.992 1.00 0.00 O ATOM 260 CB LEU A 20 -5.406 -1.237 -0.753 1.00 0.00 C ATOM 261 CG LEU A 20 -4.814 -0.180 -1.686 1.00 0.00 C ATOM 262 CD1 LEU A 20 -3.534 0.395 -1.098 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.551 -0.773 -3.063 1.00 0.00 C ATOM 0 H LEU A 20 -7.572 -0.054 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.565 -2.185 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.615 -0.768 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.649 -2.002 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.536 0.630 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.127 1.145 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.751 0.856 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.805 -0.404 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.130 -0.007 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.848 -1.601 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.487 -1.136 -3.488 1.00 0.00 H new ATOM 275 N LYS A 21 -7.216 -3.057 0.836 1.00 0.00 N ATOM 276 CA LYS A 21 -7.467 -4.203 1.703 1.00 0.00 C ATOM 277 C LYS A 21 -8.627 -5.040 1.175 1.00 0.00 C ATOM 278 O LYS A 21 -8.614 -6.267 1.273 1.00 0.00 O ATOM 279 CB LYS A 21 -7.769 -3.733 3.128 1.00 0.00 C ATOM 280 CG LYS A 21 -7.838 -4.864 4.139 1.00 0.00 C ATOM 281 CD LYS A 21 -8.133 -4.346 5.536 1.00 0.00 C ATOM 282 CE LYS A 21 -9.571 -3.867 5.661 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.903 -3.464 7.056 1.00 0.00 N ATOM 0 H LYS A 21 -7.291 -2.152 1.301 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.571 -4.823 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.000 -3.025 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.717 -3.196 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.611 -5.572 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.893 -5.407 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.947 -5.135 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.454 -3.527 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.732 -3.022 4.991 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.247 -4.660 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.892 -3.144 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.774 -4.277 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.275 -2.690 7.352 1.00 0.00 H new ATOM 297 N ASP A 22 -9.628 -4.370 0.616 1.00 0.00 N ATOM 298 CA ASP A 22 -10.795 -5.053 0.070 1.00 0.00 C ATOM 299 C ASP A 22 -10.380 -6.100 -0.959 1.00 0.00 C ATOM 300 O ASP A 22 -10.869 -7.230 -0.941 1.00 0.00 O ATOM 301 CB ASP A 22 -11.752 -4.045 -0.567 1.00 0.00 C ATOM 302 CG ASP A 22 -13.162 -4.586 -0.696 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.570 -5.391 0.167 1.00 0.00 O ATOM 304 OD2 ASP A 22 -13.858 -4.203 -1.660 1.00 0.00 O ATOM 0 H ASP A 22 -9.655 -3.354 0.529 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.306 -5.558 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.769 -3.135 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.380 -3.769 -1.554 1.00 0.00 H new ATOM 309 N ILE A 23 -9.478 -5.716 -1.856 1.00 0.00 N ATOM 310 CA ILE A 23 -8.998 -6.621 -2.892 1.00 0.00 C ATOM 311 C ILE A 23 -8.182 -7.761 -2.292 1.00 0.00 C ATOM 312 O ILE A 23 -8.549 -8.930 -2.408 1.00 0.00 O ATOM 313 CB ILE A 23 -8.137 -5.880 -3.932 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.021 -5.030 -4.847 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.320 -6.872 -4.747 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.240 -4.106 -5.755 1.00 0.00 C ATOM 0 H ILE A 23 -9.065 -4.784 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.879 -7.030 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.449 -5.218 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.638 -5.689 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.699 -4.436 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.717 -6.333 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.666 -7.437 -4.083 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.991 -7.557 -5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.931 -3.535 -6.375 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.643 -3.422 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.582 -4.695 -6.394 1.00 0.00 H new ATOM 328 N LEU A 24 -7.073 -7.412 -1.649 1.00 0.00 N ATOM 329 CA LEU A 24 -6.204 -8.406 -1.027 1.00 0.00 C ATOM 330 C LEU A 24 -7.012 -9.374 -0.168 1.00 0.00 C ATOM 331 O LEU A 24 -6.573 -10.491 0.104 1.00 0.00 O ATOM 332 CB LEU A 24 -5.138 -7.717 -0.174 1.00 0.00 C ATOM 333 CG LEU A 24 -4.276 -6.676 -0.889 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.500 -5.842 0.119 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.327 -7.350 -1.869 1.00 0.00 C ATOM 0 H LEU A 24 -6.754 -6.449 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.716 -8.973 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.632 -7.233 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.481 -8.482 0.238 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.934 -6.012 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.892 -5.107 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.198 -5.329 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.853 -6.492 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.722 -6.593 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.676 -8.038 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.903 -7.902 -2.612 1.00 0.00 H new ATOM 347 N MET A 25 -8.195 -8.938 0.253 1.00 0.00 N ATOM 348 CA MET A 25 -9.065 -9.768 1.078 1.00 0.00 C ATOM 349 C MET A 25 -9.735 -10.853 0.241 1.00 0.00 C ATOM 350 O MET A 25 -9.790 -12.016 0.641 1.00 0.00 O ATOM 351 CB MET A 25 -10.127 -8.907 1.763 1.00 0.00 C ATOM 352 CG MET A 25 -9.695 -8.372 3.118 1.00 0.00 C ATOM 353 SD MET A 25 -10.124 -9.482 4.472 1.00 0.00 S ATOM 354 CE MET A 25 -8.595 -9.486 5.405 1.00 0.00 C ATOM 0 H MET A 25 -8.573 -8.016 0.037 1.00 0.00 H new ATOM 0 HA MET A 25 -8.451 -10.249 1.840 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.377 -8.068 1.113 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.036 -9.496 1.887 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.617 -8.210 3.114 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.162 -7.402 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.797 -9.784 6.434 1.00 0.00 H new ATOM 0 HE2 MET A 25 -7.896 -10.190 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.160 -8.486 5.396 1.00 0.00 H new ATOM 364 N LYS A 26 -10.244 -10.465 -0.924 1.00 0.00 N ATOM 365 CA LYS A 26 -10.911 -11.404 -1.819 1.00 0.00 C ATOM 366 C LYS A 26 -9.892 -12.216 -2.612 1.00 0.00 C ATOM 367 O LYS A 26 -10.237 -13.212 -3.248 1.00 0.00 O ATOM 368 CB LYS A 26 -11.839 -10.655 -2.777 1.00 0.00 C ATOM 369 CG LYS A 26 -11.131 -10.103 -4.003 1.00 0.00 C ATOM 370 CD LYS A 26 -11.009 -11.151 -5.095 1.00 0.00 C ATOM 371 CE LYS A 26 -10.964 -10.515 -6.476 1.00 0.00 C ATOM 372 NZ LYS A 26 -12.302 -10.020 -6.902 1.00 0.00 N ATOM 0 H LYS A 26 -10.207 -9.506 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.502 -12.089 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.634 -11.327 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.314 -9.833 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.679 -9.241 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.138 -9.751 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.106 -11.741 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.853 -11.838 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.255 -9.687 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.599 -11.244 -7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.283 -9.798 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.017 -10.753 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.542 -9.163 -6.364 1.00 0.00 H new ATOM 386 N ARG A 27 -8.635 -11.785 -2.568 1.00 0.00 N ATOM 387 CA ARG A 27 -7.566 -12.472 -3.283 1.00 0.00 C ATOM 388 C ARG A 27 -6.860 -13.472 -2.372 1.00 0.00 C ATOM 389 O ARG A 27 -6.505 -14.573 -2.798 1.00 0.00 O ATOM 390 CB ARG A 27 -6.557 -11.461 -3.829 1.00 0.00 C ATOM 391 CG ARG A 27 -7.163 -10.455 -4.794 1.00 0.00 C ATOM 392 CD ARG A 27 -7.467 -11.090 -6.142 1.00 0.00 C ATOM 393 NE ARG A 27 -6.290 -11.129 -7.006 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.336 -11.449 -8.295 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.493 -11.755 -8.865 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.222 -11.462 -9.016 1.00 0.00 N ATOM 0 H ARG A 27 -8.332 -10.963 -2.045 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.010 -13.016 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.105 -10.925 -2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.754 -11.998 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.079 -10.047 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.475 -9.620 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.839 -12.103 -5.990 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.261 -10.530 -6.636 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.384 -10.898 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.351 -11.745 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.525 -12.000 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.330 -11.226 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.258 -11.708 -10.005 1.00 0.00 H new ATOM 410 N LEU A 28 -6.657 -13.082 -1.119 1.00 0.00 N ATOM 411 CA LEU A 28 -5.992 -13.944 -0.148 1.00 0.00 C ATOM 412 C LEU A 28 -6.943 -15.019 0.368 1.00 0.00 C ATOM 413 O LEU A 28 -6.558 -16.176 0.538 1.00 0.00 O ATOM 414 CB LEU A 28 -5.461 -13.113 1.022 1.00 0.00 C ATOM 415 CG LEU A 28 -6.470 -12.779 2.121 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.639 -13.958 3.066 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.034 -11.538 2.886 1.00 0.00 C ATOM 0 H LEU A 28 -6.943 -12.175 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.156 -14.434 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.627 -13.650 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.062 -12.179 0.627 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.433 -12.573 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.361 -13.702 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.997 -14.823 2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.680 -14.195 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.764 -11.315 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.060 -11.715 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.965 -10.693 2.200 1.00 0.00 H new ATOM 429 N THR A 29 -8.191 -14.629 0.615 1.00 0.00 N ATOM 430 CA THR A 29 -9.198 -15.559 1.110 1.00 0.00 C ATOM 431 C THR A 29 -9.567 -16.588 0.047 1.00 0.00 C ATOM 432 O THR A 29 -10.119 -17.643 0.356 1.00 0.00 O ATOM 433 CB THR A 29 -10.473 -14.820 1.557 1.00 0.00 C ATOM 434 OG1 THR A 29 -11.185 -15.607 2.518 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.374 -14.527 0.367 1.00 0.00 C ATOM 0 H THR A 29 -8.527 -13.676 0.480 1.00 0.00 H new ATOM 0 HA THR A 29 -8.762 -16.069 1.969 1.00 0.00 H new ATOM 0 HB THR A 29 -10.177 -13.874 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.993 -15.129 2.798 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.268 -14.005 0.707 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.840 -13.903 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.661 -15.463 -0.111 1.00 0.00 H new ATOM 443 N ASP A 30 -9.257 -16.274 -1.206 1.00 0.00 N ATOM 444 CA ASP A 30 -9.555 -17.172 -2.315 1.00 0.00 C ATOM 445 C ASP A 30 -8.322 -17.982 -2.704 1.00 0.00 C ATOM 446 O ASP A 30 -8.434 -19.114 -3.176 1.00 0.00 O ATOM 447 CB ASP A 30 -10.060 -16.378 -3.521 1.00 0.00 C ATOM 448 CG ASP A 30 -10.744 -17.259 -4.549 1.00 0.00 C ATOM 449 OD1 ASP A 30 -11.788 -17.857 -4.215 1.00 0.00 O ATOM 450 OD2 ASP A 30 -10.235 -17.350 -5.686 1.00 0.00 O ATOM 0 H ASP A 30 -8.799 -15.404 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.335 -17.862 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.757 -15.612 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.222 -15.862 -3.989 1.00 0.00 H new ATOM 455 N SER A 31 -7.147 -17.395 -2.504 1.00 0.00 N ATOM 456 CA SER A 31 -5.893 -18.060 -2.838 1.00 0.00 C ATOM 457 C SER A 31 -5.369 -18.861 -1.650 1.00 0.00 C ATOM 458 O SER A 31 -6.008 -18.924 -0.600 1.00 0.00 O ATOM 459 CB SER A 31 -4.847 -17.033 -3.276 1.00 0.00 C ATOM 460 OG SER A 31 -5.008 -16.692 -4.642 1.00 0.00 O ATOM 0 H SER A 31 -7.037 -16.460 -2.112 1.00 0.00 H new ATOM 0 HA SER A 31 -6.084 -18.748 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.933 -16.137 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.847 -17.436 -3.114 1.00 0.00 H new ATOM 0 HG SER A 31 -5.548 -15.877 -4.714 1.00 0.00 H new ATOM 466 N ASN A 32 -4.201 -19.471 -1.824 1.00 0.00 N ATOM 467 CA ASN A 32 -3.590 -20.268 -0.766 1.00 0.00 C ATOM 468 C ASN A 32 -2.858 -19.378 0.233 1.00 0.00 C ATOM 469 O ASN A 32 -1.721 -19.659 0.614 1.00 0.00 O ATOM 470 CB ASN A 32 -2.620 -21.289 -1.365 1.00 0.00 C ATOM 471 CG ASN A 32 -3.336 -22.412 -2.089 1.00 0.00 C ATOM 472 OD1 ASN A 32 -3.051 -22.697 -3.252 1.00 0.00 O ATOM 473 ND2 ASN A 32 -4.273 -23.056 -1.402 1.00 0.00 N ATOM 0 H ASN A 32 -3.659 -19.429 -2.687 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.384 -20.797 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.948 -20.784 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.002 -21.708 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.789 -23.821 -1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.476 -22.786 -0.440 1.00 0.00 H new ATOM 480 N LEU A 33 -3.517 -18.304 0.654 1.00 0.00 N ATOM 481 CA LEU A 33 -2.929 -17.372 1.609 1.00 0.00 C ATOM 482 C LEU A 33 -3.559 -17.536 2.989 1.00 0.00 C ATOM 483 O LEU A 33 -2.898 -17.951 3.941 1.00 0.00 O ATOM 484 CB LEU A 33 -3.107 -15.932 1.123 1.00 0.00 C ATOM 485 CG LEU A 33 -2.052 -15.420 0.142 1.00 0.00 C ATOM 486 CD1 LEU A 33 -2.646 -14.362 -0.775 1.00 0.00 C ATOM 487 CD2 LEU A 33 -0.850 -14.866 0.892 1.00 0.00 C ATOM 0 H LEU A 33 -4.459 -18.057 0.349 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.865 -17.594 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.085 -15.848 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.115 -15.275 1.992 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.717 -16.256 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.881 -14.009 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.474 -14.792 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.009 -13.526 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.110 -14.506 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.168 -14.042 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.410 -15.652 1.506 1.00 0.00 H new ATOM 499 N LYS A 34 -4.844 -17.211 3.089 1.00 0.00 N ATOM 500 CA LYS A 34 -5.566 -17.325 4.350 1.00 0.00 C ATOM 501 C LYS A 34 -4.891 -16.501 5.441 1.00 0.00 C ATOM 502 O LYS A 34 -4.933 -16.857 6.619 1.00 0.00 O ATOM 503 CB LYS A 34 -5.650 -18.791 4.782 1.00 0.00 C ATOM 504 CG LYS A 34 -6.843 -19.529 4.201 1.00 0.00 C ATOM 505 CD LYS A 34 -7.166 -20.782 4.997 1.00 0.00 C ATOM 506 CE LYS A 34 -6.343 -21.971 4.525 1.00 0.00 C ATOM 507 NZ LYS A 34 -6.472 -23.135 5.443 1.00 0.00 N ATOM 0 H LYS A 34 -5.406 -16.866 2.311 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.574 -16.938 4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.736 -19.302 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.699 -18.838 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.711 -18.869 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.636 -19.798 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.973 -20.602 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.227 -21.012 4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.664 -22.260 3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.295 -21.681 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.896 -23.924 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.142 -22.867 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.468 -23.429 5.493 1.00 0.00 H new ATOM 521 N VAL A 35 -4.269 -15.395 5.042 1.00 0.00 N ATOM 522 CA VAL A 35 -3.587 -14.518 5.986 1.00 0.00 C ATOM 523 C VAL A 35 -4.585 -13.685 6.782 1.00 0.00 C ATOM 524 O VAL A 35 -5.681 -13.371 6.316 1.00 0.00 O ATOM 525 CB VAL A 35 -2.605 -13.575 5.267 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.591 -14.372 4.460 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.360 -12.600 4.375 1.00 0.00 C ATOM 0 H VAL A 35 -4.224 -15.086 4.071 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.029 -15.160 6.668 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.064 -13.001 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.906 -13.688 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.028 -15.026 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.111 -14.974 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.651 -11.941 3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.929 -13.155 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.042 -12.005 4.982 1.00 0.00 H new ATOM 537 N PRO A 36 -4.199 -13.316 8.012 1.00 0.00 N ATOM 538 CA PRO A 36 -5.046 -12.512 8.899 1.00 0.00 C ATOM 539 C PRO A 36 -5.199 -11.076 8.410 1.00 0.00 C ATOM 540 O PRO A 36 -4.234 -10.457 7.965 1.00 0.00 O ATOM 541 CB PRO A 36 -4.295 -12.546 10.233 1.00 0.00 C ATOM 542 CG PRO A 36 -2.872 -12.787 9.860 1.00 0.00 C ATOM 543 CD PRO A 36 -2.907 -13.654 8.632 1.00 0.00 C ATOM 0 HA PRO A 36 -6.062 -12.902 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.409 -11.607 10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -4.674 -13.336 10.881 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.357 -11.848 9.660 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.334 -13.279 10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.073 -13.439 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.848 -14.712 8.886 1.00 0.00 H new ATOM 551 N GLU A 37 -6.418 -10.553 8.497 1.00 0.00 N ATOM 552 CA GLU A 37 -6.696 -9.190 8.062 1.00 0.00 C ATOM 553 C GLU A 37 -5.539 -8.259 8.415 1.00 0.00 C ATOM 554 O GLU A 37 -5.205 -7.352 7.654 1.00 0.00 O ATOM 555 CB GLU A 37 -7.989 -8.680 8.703 1.00 0.00 C ATOM 556 CG GLU A 37 -8.433 -7.323 8.181 1.00 0.00 C ATOM 557 CD GLU A 37 -9.887 -7.027 8.492 1.00 0.00 C ATOM 558 OE1 GLU A 37 -10.176 -6.611 9.634 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.736 -7.210 7.595 1.00 0.00 O ATOM 0 H GLU A 37 -7.228 -11.052 8.865 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.815 -9.199 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.783 -9.405 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.849 -8.617 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.806 -6.546 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.281 -7.285 7.102 1.00 0.00 H new ATOM 566 N GLU A 38 -4.933 -8.493 9.575 1.00 0.00 N ATOM 567 CA GLU A 38 -3.814 -7.675 10.029 1.00 0.00 C ATOM 568 C GLU A 38 -2.755 -7.547 8.938 1.00 0.00 C ATOM 569 O GLU A 38 -2.282 -6.450 8.642 1.00 0.00 O ATOM 570 CB GLU A 38 -3.193 -8.277 11.291 1.00 0.00 C ATOM 571 CG GLU A 38 -1.912 -7.586 11.728 1.00 0.00 C ATOM 572 CD GLU A 38 -0.674 -8.209 11.115 1.00 0.00 C ATOM 573 OE1 GLU A 38 -0.441 -8.002 9.906 1.00 0.00 O ATOM 574 OE2 GLU A 38 0.064 -8.904 11.845 1.00 0.00 O ATOM 0 H GLU A 38 -5.197 -9.241 10.216 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.194 -6.680 10.259 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.919 -8.226 12.103 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.985 -9.332 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.959 -6.533 11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.834 -7.627 12.814 1.00 0.00 H new ATOM 581 N LYS A 39 -2.387 -8.677 8.344 1.00 0.00 N ATOM 582 CA LYS A 39 -1.385 -8.694 7.285 1.00 0.00 C ATOM 583 C LYS A 39 -1.808 -7.804 6.121 1.00 0.00 C ATOM 584 O LYS A 39 -1.122 -6.840 5.783 1.00 0.00 O ATOM 585 CB LYS A 39 -1.158 -10.125 6.792 1.00 0.00 C ATOM 586 CG LYS A 39 -0.289 -10.209 5.549 1.00 0.00 C ATOM 587 CD LYS A 39 1.188 -10.261 5.904 1.00 0.00 C ATOM 588 CE LYS A 39 1.753 -8.869 6.139 1.00 0.00 C ATOM 589 NZ LYS A 39 3.237 -8.844 6.012 1.00 0.00 N ATOM 0 H LYS A 39 -2.768 -9.594 8.578 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.453 -8.306 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.694 -10.706 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.123 -10.586 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.558 -11.096 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.481 -9.346 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.327 -10.867 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.740 -10.748 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.315 -8.174 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.468 -8.524 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.584 -7.878 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.656 -9.488 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.509 -9.149 5.055 1.00 0.00 H new ATOM 603 N ALA A 40 -2.943 -8.134 5.512 1.00 0.00 N ATOM 604 CA ALA A 40 -3.459 -7.363 4.388 1.00 0.00 C ATOM 605 C ALA A 40 -3.549 -5.880 4.735 1.00 0.00 C ATOM 606 O ALA A 40 -2.949 -5.039 4.066 1.00 0.00 O ATOM 607 CB ALA A 40 -4.821 -7.892 3.966 1.00 0.00 C ATOM 0 H ALA A 40 -3.522 -8.930 5.779 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.765 -7.473 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.194 -7.307 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.729 -8.937 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.517 -7.812 4.801 1.00 0.00 H new ATOM 613 N ALA A 41 -4.303 -5.567 5.784 1.00 0.00 N ATOM 614 CA ALA A 41 -4.470 -4.187 6.220 1.00 0.00 C ATOM 615 C ALA A 41 -3.120 -3.502 6.404 1.00 0.00 C ATOM 616 O ALA A 41 -2.779 -2.572 5.673 1.00 0.00 O ATOM 617 CB ALA A 41 -5.271 -4.134 7.512 1.00 0.00 C ATOM 0 H ALA A 41 -4.808 -6.251 6.347 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.017 -3.651 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.388 -3.097 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.254 -4.577 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.746 -4.691 8.288 1.00 0.00 H new ATOM 623 N LYS A 42 -2.355 -3.967 7.386 1.00 0.00 N ATOM 624 CA LYS A 42 -1.041 -3.400 7.667 1.00 0.00 C ATOM 625 C LYS A 42 -0.361 -2.941 6.381 1.00 0.00 C ATOM 626 O LYS A 42 0.019 -1.777 6.250 1.00 0.00 O ATOM 627 CB LYS A 42 -0.162 -4.428 8.382 1.00 0.00 C ATOM 628 CG LYS A 42 -0.448 -4.542 9.870 1.00 0.00 C ATOM 629 CD LYS A 42 0.537 -5.473 10.557 1.00 0.00 C ATOM 630 CE LYS A 42 1.759 -4.719 11.061 1.00 0.00 C ATOM 631 NZ LYS A 42 2.645 -4.289 9.944 1.00 0.00 N ATOM 0 H LYS A 42 -2.623 -4.736 8.001 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.177 -2.534 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.306 -5.403 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.885 -4.159 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.397 -3.554 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.463 -4.910 10.019 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.046 -5.972 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.850 -6.251 9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.438 -3.845 11.627 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.321 -5.354 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.620 -4.191 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.618 -5.001 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.316 -3.375 9.572 1.00 0.00 H new ATOM 645 N VAL A 43 -0.210 -3.862 5.434 1.00 0.00 N ATOM 646 CA VAL A 43 0.422 -3.550 4.158 1.00 0.00 C ATOM 647 C VAL A 43 -0.270 -2.376 3.474 1.00 0.00 C ATOM 648 O VAL A 43 0.364 -1.372 3.152 1.00 0.00 O ATOM 649 CB VAL A 43 0.403 -4.765 3.211 1.00 0.00 C ATOM 650 CG1 VAL A 43 1.019 -4.405 1.868 1.00 0.00 C ATOM 651 CG2 VAL A 43 1.132 -5.942 3.842 1.00 0.00 C ATOM 0 H VAL A 43 -0.517 -4.830 5.527 1.00 0.00 H new ATOM 0 HA VAL A 43 1.456 -3.282 4.374 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.634 -5.056 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.997 -5.276 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.451 -3.594 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.051 -4.088 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.109 -6.792 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.167 -5.664 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.643 -6.214 4.777 1.00 0.00 H new ATOM 661 N ALA A 44 -1.574 -2.510 3.257 1.00 0.00 N ATOM 662 CA ALA A 44 -2.353 -1.459 2.613 1.00 0.00 C ATOM 663 C ALA A 44 -2.010 -0.090 3.192 1.00 0.00 C ATOM 664 O ALA A 44 -1.771 0.866 2.453 1.00 0.00 O ATOM 665 CB ALA A 44 -3.841 -1.739 2.761 1.00 0.00 C ATOM 0 H ALA A 44 -2.113 -3.336 3.517 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.100 -1.450 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.410 -0.946 2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.079 -2.695 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.101 -1.777 3.819 1.00 0.00 H new ATOM 671 N THR A 45 -1.990 -0.001 4.518 1.00 0.00 N ATOM 672 CA THR A 45 -1.679 1.251 5.195 1.00 0.00 C ATOM 673 C THR A 45 -0.335 1.805 4.738 1.00 0.00 C ATOM 674 O THR A 45 -0.146 3.019 4.658 1.00 0.00 O ATOM 675 CB THR A 45 -1.653 1.071 6.725 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.920 0.586 7.183 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.327 2.385 7.419 1.00 0.00 C ATOM 0 H THR A 45 -2.186 -0.782 5.144 1.00 0.00 H new ATOM 0 HA THR A 45 -2.468 1.956 4.932 1.00 0.00 H new ATOM 0 HB THR A 45 -0.877 0.346 6.970 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.895 0.473 8.156 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.314 2.233 8.498 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.349 2.737 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.084 3.128 7.166 1.00 0.00 H new ATOM 685 N LYS A 46 0.598 0.908 4.436 1.00 0.00 N ATOM 686 CA LYS A 46 1.925 1.306 3.984 1.00 0.00 C ATOM 687 C LYS A 46 1.881 1.814 2.546 1.00 0.00 C ATOM 688 O LYS A 46 2.495 2.829 2.217 1.00 0.00 O ATOM 689 CB LYS A 46 2.897 0.129 4.090 1.00 0.00 C ATOM 690 CG LYS A 46 3.609 0.047 5.430 1.00 0.00 C ATOM 691 CD LYS A 46 2.666 -0.395 6.536 1.00 0.00 C ATOM 692 CE LYS A 46 3.187 0.009 7.907 1.00 0.00 C ATOM 693 NZ LYS A 46 4.547 -0.539 8.168 1.00 0.00 N ATOM 0 H LYS A 46 0.459 -0.101 4.496 1.00 0.00 H new ATOM 0 HA LYS A 46 2.272 2.115 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.351 -0.799 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.641 0.210 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.441 -0.653 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.032 1.020 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.682 0.046 6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.540 -1.477 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.214 1.096 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.499 -0.345 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.790 -0.403 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.561 -1.554 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.241 -0.043 7.573 1.00 0.00 H new ATOM 707 N ILE A 47 1.150 1.102 1.695 1.00 0.00 N ATOM 708 CA ILE A 47 1.023 1.482 0.293 1.00 0.00 C ATOM 709 C ILE A 47 0.939 2.997 0.140 1.00 0.00 C ATOM 710 O ILE A 47 1.764 3.609 -0.537 1.00 0.00 O ATOM 711 CB ILE A 47 -0.219 0.842 -0.354 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.130 -0.683 -0.280 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.359 1.301 -1.798 1.00 0.00 C ATOM 714 CD1 ILE A 47 1.112 -1.249 -0.932 1.00 0.00 C ATOM 0 H ILE A 47 0.637 0.259 1.952 1.00 0.00 H new ATOM 0 HA ILE A 47 1.915 1.117 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.104 1.162 0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.153 -0.990 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.010 -1.114 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.241 0.840 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.463 2.386 -1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.527 1.006 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.108 -2.335 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.127 -0.973 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.997 -0.847 -0.439 1.00 0.00 H new ATOM 726 N GLU A 48 -0.063 3.596 0.776 1.00 0.00 N ATOM 727 CA GLU A 48 -0.255 5.040 0.711 1.00 0.00 C ATOM 728 C GLU A 48 0.905 5.773 1.380 1.00 0.00 C ATOM 729 O GLU A 48 1.351 6.818 0.905 1.00 0.00 O ATOM 730 CB GLU A 48 -1.574 5.433 1.379 1.00 0.00 C ATOM 731 CG GLU A 48 -2.768 4.633 0.885 1.00 0.00 C ATOM 732 CD GLU A 48 -2.919 3.306 1.602 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.589 3.241 2.805 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.365 2.332 0.961 1.00 0.00 O ATOM 0 H GLU A 48 -0.754 3.104 1.342 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.289 5.329 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.479 5.301 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.759 6.493 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.676 5.221 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.663 4.453 -0.185 1.00 0.00 H new ATOM 741 N LYS A 49 1.389 5.218 2.486 1.00 0.00 N ATOM 742 CA LYS A 49 2.496 5.816 3.222 1.00 0.00 C ATOM 743 C LYS A 49 3.648 6.161 2.284 1.00 0.00 C ATOM 744 O LYS A 49 4.327 7.172 2.467 1.00 0.00 O ATOM 745 CB LYS A 49 2.983 4.863 4.316 1.00 0.00 C ATOM 746 CG LYS A 49 3.907 5.518 5.327 1.00 0.00 C ATOM 747 CD LYS A 49 3.990 4.712 6.612 1.00 0.00 C ATOM 748 CE LYS A 49 5.028 3.605 6.510 1.00 0.00 C ATOM 749 NZ LYS A 49 6.416 4.143 6.520 1.00 0.00 N ATOM 0 H LYS A 49 1.031 4.354 2.893 1.00 0.00 H new ATOM 0 HA LYS A 49 2.138 6.736 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.119 4.452 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.503 4.025 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.903 5.622 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.550 6.523 5.550 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.242 5.373 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.015 4.278 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.902 2.911 7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.865 3.038 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.082 3.380 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.646 4.527 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.490 4.898 7.231 1.00 0.00 H new ATOM 763 N GLU A 50 3.862 5.317 1.280 1.00 0.00 N ATOM 764 CA GLU A 50 4.933 5.535 0.314 1.00 0.00 C ATOM 765 C GLU A 50 4.460 6.430 -0.828 1.00 0.00 C ATOM 766 O GLU A 50 5.123 7.406 -1.183 1.00 0.00 O ATOM 767 CB GLU A 50 5.428 4.198 -0.242 1.00 0.00 C ATOM 768 CG GLU A 50 6.797 4.281 -0.897 1.00 0.00 C ATOM 769 CD GLU A 50 6.874 5.369 -1.951 1.00 0.00 C ATOM 770 OE1 GLU A 50 6.155 5.262 -2.967 1.00 0.00 O ATOM 771 OE2 GLU A 50 7.652 6.327 -1.760 1.00 0.00 O ATOM 0 H GLU A 50 3.309 4.476 1.114 1.00 0.00 H new ATOM 0 HA GLU A 50 5.756 6.033 0.827 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.465 3.469 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.707 3.828 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.551 4.467 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.036 3.320 -1.353 1.00 0.00 H new ATOM 778 N LEU A 51 3.311 6.090 -1.402 1.00 0.00 N ATOM 779 CA LEU A 51 2.749 6.861 -2.505 1.00 0.00 C ATOM 780 C LEU A 51 2.674 8.343 -2.151 1.00 0.00 C ATOM 781 O LEU A 51 3.359 9.171 -2.752 1.00 0.00 O ATOM 782 CB LEU A 51 1.356 6.339 -2.860 1.00 0.00 C ATOM 783 CG LEU A 51 0.921 6.523 -4.315 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.616 5.511 -5.212 1.00 0.00 C ATOM 785 CD2 LEU A 51 -0.591 6.399 -4.439 1.00 0.00 C ATOM 0 H LEU A 51 2.750 5.285 -1.122 1.00 0.00 H new ATOM 0 HA LEU A 51 3.405 6.745 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.316 5.276 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.629 6.837 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 51 1.211 7.523 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.294 5.657 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.695 5.647 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.357 4.502 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.883 6.533 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.904 5.412 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.070 7.163 -3.827 1.00 0.00 H new ATOM 797 N PHE A 52 1.840 8.670 -1.170 1.00 0.00 N ATOM 798 CA PHE A 52 1.676 10.052 -0.734 1.00 0.00 C ATOM 799 C PHE A 52 3.026 10.760 -0.650 1.00 0.00 C ATOM 800 O PHE A 52 3.143 11.938 -0.985 1.00 0.00 O ATOM 801 CB PHE A 52 0.977 10.101 0.626 1.00 0.00 C ATOM 802 CG PHE A 52 0.722 11.497 1.119 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.172 12.326 0.460 1.00 0.00 C ATOM 804 CD2 PHE A 52 1.377 11.980 2.241 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.409 13.611 0.912 1.00 0.00 C ATOM 806 CE2 PHE A 52 1.143 13.264 2.697 1.00 0.00 C ATOM 807 CZ PHE A 52 0.250 14.081 2.031 1.00 0.00 C ATOM 0 H PHE A 52 1.267 7.997 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 52 1.060 10.568 -1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.028 9.570 0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.587 9.571 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.689 11.964 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.078 11.347 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.109 14.247 0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.658 13.628 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.068 15.085 2.385 1.00 0.00 H new ATOM 817 N SER A 53 4.042 10.030 -0.201 1.00 0.00 N ATOM 818 CA SER A 53 5.383 10.588 -0.069 1.00 0.00 C ATOM 819 C SER A 53 6.106 10.590 -1.412 1.00 0.00 C ATOM 820 O SER A 53 6.983 11.418 -1.658 1.00 0.00 O ATOM 821 CB SER A 53 6.191 9.790 0.957 1.00 0.00 C ATOM 822 OG SER A 53 7.231 10.578 1.511 1.00 0.00 O ATOM 0 H SER A 53 3.962 9.052 0.077 1.00 0.00 H new ATOM 0 HA SER A 53 5.289 11.618 0.274 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.532 9.441 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.614 8.905 0.482 1.00 0.00 H new ATOM 0 HG SER A 53 7.732 10.046 2.165 1.00 0.00 H new ATOM 828 N PHE A 54 5.731 9.655 -2.280 1.00 0.00 N ATOM 829 CA PHE A 54 6.343 9.547 -3.599 1.00 0.00 C ATOM 830 C PHE A 54 5.939 10.723 -4.484 1.00 0.00 C ATOM 831 O PHE A 54 6.777 11.324 -5.157 1.00 0.00 O ATOM 832 CB PHE A 54 5.939 8.230 -4.265 1.00 0.00 C ATOM 833 CG PHE A 54 6.641 7.978 -5.569 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.019 7.836 -5.613 1.00 0.00 C ATOM 835 CD2 PHE A 54 5.923 7.883 -6.750 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.667 7.604 -6.811 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.566 7.651 -7.952 1.00 0.00 C ATOM 838 CZ PHE A 54 7.940 7.511 -7.982 1.00 0.00 C ATOM 0 H PHE A 54 5.006 8.962 -2.093 1.00 0.00 H new ATOM 0 HA PHE A 54 7.426 9.565 -3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.151 7.407 -3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.862 8.234 -4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.593 7.907 -4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.849 7.991 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.741 7.495 -6.832 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.995 7.579 -8.866 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.445 7.329 -8.919 1.00 0.00 H new ATOM 848 N PHE A 55 4.649 11.044 -4.479 1.00 0.00 N ATOM 849 CA PHE A 55 4.133 12.146 -5.282 1.00 0.00 C ATOM 850 C PHE A 55 4.076 13.434 -4.466 1.00 0.00 C ATOM 851 O PHE A 55 4.157 14.533 -5.014 1.00 0.00 O ATOM 852 CB PHE A 55 2.740 11.806 -5.817 1.00 0.00 C ATOM 853 CG PHE A 55 2.759 10.838 -6.965 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.914 11.288 -8.266 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.622 9.477 -6.743 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.932 10.400 -9.325 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.639 8.584 -7.798 1.00 0.00 C ATOM 858 CZ PHE A 55 2.794 9.046 -9.090 1.00 0.00 C ATOM 0 H PHE A 55 3.942 10.557 -3.928 1.00 0.00 H new ATOM 0 HA PHE A 55 4.811 12.299 -6.122 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.141 11.387 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.247 12.725 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.022 12.346 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.501 9.110 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.054 10.764 -10.334 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.531 7.526 -7.612 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.807 8.350 -9.915 1.00 0.00 H new ATOM 868 N ARG A 56 3.935 13.289 -3.152 1.00 0.00 N ATOM 869 CA ARG A 56 3.865 14.439 -2.260 1.00 0.00 C ATOM 870 C ARG A 56 2.658 15.312 -2.590 1.00 0.00 C ATOM 871 O ARG A 56 2.715 16.537 -2.480 1.00 0.00 O ATOM 872 CB ARG A 56 5.148 15.267 -2.358 1.00 0.00 C ATOM 873 CG ARG A 56 6.269 14.763 -1.463 1.00 0.00 C ATOM 874 CD ARG A 56 7.194 15.893 -1.039 1.00 0.00 C ATOM 875 NE ARG A 56 8.141 16.249 -2.092 1.00 0.00 N ATOM 876 CZ ARG A 56 8.892 17.344 -2.065 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.809 18.184 -1.042 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.731 17.600 -3.061 1.00 0.00 N ATOM 0 H ARG A 56 3.867 12.386 -2.682 1.00 0.00 H new ATOM 0 HA ARG A 56 3.756 14.069 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.492 15.267 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.924 16.301 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.844 14.288 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.842 14.001 -1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.600 16.768 -0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.741 15.597 -0.144 1.00 0.00 H new ATOM 0 HE ARG A 56 8.231 15.622 -2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.167 17.990 -0.273 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.387 19.024 -1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.800 16.955 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.307 18.441 -3.039 1.00 0.00 H new ATOM 892 N ASP A 57 1.567 14.673 -2.997 1.00 0.00 N ATOM 893 CA ASP A 57 0.345 15.390 -3.344 1.00 0.00 C ATOM 894 C ASP A 57 -0.787 14.416 -3.656 1.00 0.00 C ATOM 895 O ASP A 57 -0.548 13.285 -4.082 1.00 0.00 O ATOM 896 CB ASP A 57 0.590 16.308 -4.543 1.00 0.00 C ATOM 897 CG ASP A 57 0.841 15.534 -5.822 1.00 0.00 C ATOM 898 OD1 ASP A 57 1.939 14.955 -5.960 1.00 0.00 O ATOM 899 OD2 ASP A 57 -0.061 15.507 -6.685 1.00 0.00 O ATOM 0 H ASP A 57 1.503 13.660 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 57 0.053 15.996 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.272 16.960 -4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.446 16.950 -4.336 1.00 0.00 H new ATOM 904 N THR A 58 -2.021 14.861 -3.441 1.00 0.00 N ATOM 905 CA THR A 58 -3.189 14.029 -3.697 1.00 0.00 C ATOM 906 C THR A 58 -3.988 14.553 -4.884 1.00 0.00 C ATOM 907 O THR A 58 -5.180 14.838 -4.766 1.00 0.00 O ATOM 908 CB THR A 58 -4.110 13.960 -2.464 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.132 15.227 -1.797 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.642 12.881 -1.499 1.00 0.00 C ATOM 0 H THR A 58 -2.237 15.794 -3.090 1.00 0.00 H new ATOM 0 HA THR A 58 -2.821 13.028 -3.924 1.00 0.00 H new ATOM 0 HB THR A 58 -5.116 13.711 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.721 15.175 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.307 12.851 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.655 11.914 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.628 13.104 -1.167 1.00 0.00 H new ATOM 918 N ASP A 59 -3.325 14.677 -6.029 1.00 0.00 N ATOM 919 CA ASP A 59 -3.974 15.166 -7.240 1.00 0.00 C ATOM 920 C ASP A 59 -4.093 14.055 -8.278 1.00 0.00 C ATOM 921 O ASP A 59 -3.680 12.921 -8.038 1.00 0.00 O ATOM 922 CB ASP A 59 -3.192 16.344 -7.823 1.00 0.00 C ATOM 923 CG ASP A 59 -3.589 17.668 -7.198 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.250 17.890 -6.017 1.00 0.00 O ATOM 925 OD2 ASP A 59 -4.238 18.480 -7.889 1.00 0.00 O ATOM 0 H ASP A 59 -2.338 14.446 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.977 15.501 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.125 16.179 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.358 16.389 -8.899 1.00 0.00 H new ATOM 930 N ALA A 60 -4.662 14.389 -9.432 1.00 0.00 N ATOM 931 CA ALA A 60 -4.835 13.420 -10.507 1.00 0.00 C ATOM 932 C ALA A 60 -3.665 12.442 -10.559 1.00 0.00 C ATOM 933 O ALA A 60 -3.856 11.227 -10.512 1.00 0.00 O ATOM 934 CB ALA A 60 -4.987 14.134 -11.842 1.00 0.00 C ATOM 0 H ALA A 60 -5.011 15.323 -9.646 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.742 12.850 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.115 13.398 -12.636 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.859 14.787 -11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.096 14.729 -12.040 1.00 0.00 H new ATOM 940 N LYS A 61 -2.454 12.981 -10.656 1.00 0.00 N ATOM 941 CA LYS A 61 -1.253 12.157 -10.714 1.00 0.00 C ATOM 942 C LYS A 61 -1.266 11.098 -9.615 1.00 0.00 C ATOM 943 O LYS A 61 -0.928 9.938 -9.854 1.00 0.00 O ATOM 944 CB LYS A 61 -0.003 13.030 -10.580 1.00 0.00 C ATOM 945 CG LYS A 61 0.057 13.809 -9.277 1.00 0.00 C ATOM 946 CD LYS A 61 1.331 14.632 -9.178 1.00 0.00 C ATOM 947 CE LYS A 61 1.201 15.950 -9.927 1.00 0.00 C ATOM 948 NZ LYS A 61 1.610 15.820 -11.353 1.00 0.00 N ATOM 0 H LYS A 61 -2.279 13.985 -10.696 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.235 11.653 -11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.882 12.398 -10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.032 13.730 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.809 14.467 -9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.003 13.118 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.558 14.828 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.167 14.062 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.169 16.297 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.816 16.707 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.175 16.649 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.179 14.958 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.763 15.763 -11.953 1.00 0.00 H new ATOM 962 N TYR A 62 -1.659 11.504 -8.413 1.00 0.00 N ATOM 963 CA TYR A 62 -1.715 10.591 -7.278 1.00 0.00 C ATOM 964 C TYR A 62 -2.614 9.396 -7.584 1.00 0.00 C ATOM 965 O TYR A 62 -2.144 8.265 -7.707 1.00 0.00 O ATOM 966 CB TYR A 62 -2.224 11.321 -6.034 1.00 0.00 C ATOM 967 CG TYR A 62 -2.172 10.482 -4.777 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.963 10.003 -4.287 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.331 10.168 -4.079 1.00 0.00 C ATOM 970 CE1 TYR A 62 -0.910 9.237 -3.139 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.288 9.403 -2.929 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.076 8.940 -2.464 1.00 0.00 C ATOM 973 OH TYR A 62 -2.029 8.176 -1.320 1.00 0.00 O ATOM 0 H TYR A 62 -1.944 12.460 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.706 10.225 -7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.631 12.223 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -3.252 11.641 -6.205 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.049 10.234 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.283 10.528 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.038 8.873 -2.772 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.199 9.169 -2.398 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.936 8.060 -0.967 1.00 0.00 H new ATOM 983 N LYS A 63 -3.911 9.657 -7.707 1.00 0.00 N ATOM 984 CA LYS A 63 -4.879 8.606 -8.001 1.00 0.00 C ATOM 985 C LYS A 63 -4.452 7.800 -9.223 1.00 0.00 C ATOM 986 O LYS A 63 -4.353 6.575 -9.167 1.00 0.00 O ATOM 987 CB LYS A 63 -6.265 9.212 -8.235 1.00 0.00 C ATOM 988 CG LYS A 63 -6.761 10.060 -7.077 1.00 0.00 C ATOM 989 CD LYS A 63 -7.723 11.138 -7.547 1.00 0.00 C ATOM 990 CE LYS A 63 -8.677 11.556 -6.439 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.909 12.195 -6.979 1.00 0.00 N ATOM 0 H LYS A 63 -4.317 10.588 -7.608 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.922 7.936 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.237 9.824 -9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.978 8.408 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.257 9.423 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.912 10.523 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.159 12.006 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.293 10.771 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.951 10.683 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.172 12.251 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.533 12.465 -6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.650 13.043 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.405 11.524 -7.599 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.199 8.496 -10.327 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.781 7.844 -11.563 1.00 0.00 C ATOM 1007 C ASN A 64 -2.909 6.627 -11.268 1.00 0.00 C ATOM 1008 O ASN A 64 -3.095 5.560 -11.854 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.018 8.829 -12.451 1.00 0.00 C ATOM 1010 CG ASN A 64 -2.378 8.152 -13.647 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.708 7.014 -13.981 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -1.455 8.851 -14.299 1.00 0.00 N ATOM 0 H ASN A 64 -4.276 9.511 -10.391 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.675 7.509 -12.088 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.700 9.605 -12.798 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.247 9.324 -11.861 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.989 8.447 -15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.213 9.791 -13.987 1.00 0.00 H new ATOM 1019 N LYS A 65 -1.958 6.795 -10.356 1.00 0.00 N ATOM 1020 CA LYS A 65 -1.057 5.711 -9.981 1.00 0.00 C ATOM 1021 C LYS A 65 -1.763 4.705 -9.077 1.00 0.00 C ATOM 1022 O LYS A 65 -1.781 3.507 -9.361 1.00 0.00 O ATOM 1023 CB LYS A 65 0.179 6.270 -9.272 1.00 0.00 C ATOM 1024 CG LYS A 65 1.087 5.197 -8.698 1.00 0.00 C ATOM 1025 CD LYS A 65 1.522 4.204 -9.764 1.00 0.00 C ATOM 1026 CE LYS A 65 2.506 4.830 -10.739 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.844 5.039 -10.120 1.00 0.00 N ATOM 0 H LYS A 65 -1.791 7.672 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.746 5.199 -10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.748 6.877 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.142 6.931 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.966 5.663 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.567 4.669 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.980 3.336 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.648 3.845 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.607 4.189 -11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.114 5.786 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.513 5.372 -10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.770 5.749 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.185 4.142 -9.720 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.345 5.200 -7.991 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.052 4.344 -7.045 1.00 0.00 C ATOM 1043 C TYR A 66 -3.916 3.322 -7.777 1.00 0.00 C ATOM 1044 O TYR A 66 -3.864 2.127 -7.487 1.00 0.00 O ATOM 1045 CB TYR A 66 -3.920 5.189 -6.111 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.140 4.459 -5.594 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.017 3.250 -4.921 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.415 4.979 -5.780 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.128 2.580 -4.448 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.532 4.316 -5.308 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.383 3.117 -4.643 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.493 2.453 -4.173 1.00 0.00 O ATOM 0 H TYR A 66 -2.341 6.189 -7.743 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.310 3.808 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.316 5.516 -5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.241 6.087 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.036 2.827 -4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.535 5.917 -6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.015 1.640 -3.928 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.516 4.735 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.662 1.664 -4.729 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.712 3.802 -8.727 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.589 2.931 -9.501 1.00 0.00 C ATOM 1064 C ARG A 67 -4.785 1.856 -10.226 1.00 0.00 C ATOM 1065 O ARG A 67 -5.199 0.698 -10.294 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.393 3.751 -10.512 1.00 0.00 C ATOM 1067 CG ARG A 67 -5.531 4.601 -11.430 1.00 0.00 C ATOM 1068 CD ARG A 67 -6.314 5.081 -12.642 1.00 0.00 C ATOM 1069 NE ARG A 67 -5.445 5.336 -13.789 1.00 0.00 N ATOM 1070 CZ ARG A 67 -5.843 5.972 -14.885 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -7.088 6.416 -14.983 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -4.994 6.166 -15.886 1.00 0.00 N ATOM 0 H ARG A 67 -4.768 4.789 -8.979 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.277 2.442 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.996 3.075 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.084 4.399 -9.973 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.148 5.460 -10.879 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.668 4.023 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.060 4.333 -12.911 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.854 5.993 -12.387 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.480 5.008 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.744 6.270 -14.215 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.391 6.904 -15.826 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.035 5.827 -15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.301 6.655 -16.727 1.00 0.00 H new ATOM 1086 N SER A 68 -3.636 2.247 -10.766 1.00 0.00 N ATOM 1087 CA SER A 68 -2.776 1.317 -11.490 1.00 0.00 C ATOM 1088 C SER A 68 -2.245 0.231 -10.560 1.00 0.00 C ATOM 1089 O SER A 68 -2.084 -0.922 -10.961 1.00 0.00 O ATOM 1090 CB SER A 68 -1.609 2.067 -12.136 1.00 0.00 C ATOM 1091 OG SER A 68 -1.176 1.415 -13.318 1.00 0.00 O ATOM 0 H SER A 68 -3.278 3.201 -10.716 1.00 0.00 H new ATOM 0 HA SER A 68 -3.371 0.843 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.913 3.087 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.781 2.135 -11.430 1.00 0.00 H new ATOM 0 HG SER A 68 -0.431 1.914 -13.713 1.00 0.00 H new ATOM 1097 N LEU A 69 -1.975 0.608 -9.315 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.461 -0.333 -8.325 1.00 0.00 C ATOM 1099 C LEU A 69 -2.422 -1.503 -8.137 1.00 0.00 C ATOM 1100 O LEU A 69 -2.013 -2.663 -8.160 1.00 0.00 O ATOM 1101 CB LEU A 69 -1.234 0.376 -6.989 1.00 0.00 C ATOM 1102 CG LEU A 69 -0.336 1.613 -7.029 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -0.077 2.130 -5.623 1.00 0.00 C ATOM 1104 CD2 LEU A 69 0.976 1.296 -7.732 1.00 0.00 C ATOM 0 H LEU A 69 -2.103 1.558 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.510 -0.723 -8.688 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.204 0.669 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.802 -0.340 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.849 2.393 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.564 3.010 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.024 2.396 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.415 1.355 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.603 2.187 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.493 0.500 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.773 0.973 -8.753 1.00 0.00 H new ATOM 1116 N MET A 70 -3.700 -1.189 -7.953 1.00 0.00 N ATOM 1117 CA MET A 70 -4.719 -2.215 -7.764 1.00 0.00 C ATOM 1118 C MET A 70 -5.199 -2.758 -9.106 1.00 0.00 C ATOM 1119 O MET A 70 -5.652 -3.898 -9.199 1.00 0.00 O ATOM 1120 CB MET A 70 -5.903 -1.649 -6.977 1.00 0.00 C ATOM 1121 CG MET A 70 -6.639 -0.536 -7.704 1.00 0.00 C ATOM 1122 SD MET A 70 -7.678 0.444 -6.602 1.00 0.00 S ATOM 1123 CE MET A 70 -8.509 -0.849 -5.682 1.00 0.00 C ATOM 0 H MET A 70 -4.055 -0.233 -7.931 1.00 0.00 H new ATOM 0 HA MET A 70 -4.274 -3.034 -7.199 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.603 -2.455 -6.760 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.545 -1.272 -6.019 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.914 0.117 -8.190 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.257 -0.968 -8.491 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.434 -0.457 -5.258 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.739 -1.680 -6.349 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.861 -1.198 -4.878 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.096 -1.934 -10.144 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.521 -2.331 -11.481 1.00 0.00 C ATOM 1135 C PHE A 71 -5.055 -3.749 -11.801 1.00 0.00 C ATOM 1136 O PHE A 71 -5.760 -4.511 -12.460 1.00 0.00 O ATOM 1137 CB PHE A 71 -4.974 -1.355 -12.524 1.00 0.00 C ATOM 1138 CG PHE A 71 -5.501 -1.600 -13.909 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -6.832 -1.362 -14.211 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -4.665 -2.070 -14.910 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -7.320 -1.586 -15.484 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -5.147 -2.296 -16.185 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.477 -2.055 -16.472 1.00 0.00 C ATOM 0 H PHE A 71 -4.722 -0.987 -10.085 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.610 -2.310 -11.510 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.224 -0.337 -12.224 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.886 -1.425 -12.540 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.496 -0.997 -13.442 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.625 -2.262 -14.691 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.359 -1.395 -15.706 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.485 -2.661 -16.956 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.857 -2.233 -17.467 1.00 0.00 H new ATOM 1153 N ASN A 72 -3.862 -4.094 -11.328 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.300 -5.419 -11.564 1.00 0.00 C ATOM 1155 C ASN A 72 -3.666 -6.374 -10.432 1.00 0.00 C ATOM 1156 O ASN A 72 -3.751 -7.587 -10.631 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.779 -5.334 -11.702 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.343 -5.056 -13.128 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.040 -5.978 -13.886 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.309 -3.782 -13.499 1.00 0.00 N ATOM 0 H ASN A 72 -3.266 -3.475 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.721 -5.805 -12.492 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.401 -4.547 -11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.333 -6.270 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.023 -3.534 -14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.569 -3.051 -12.837 1.00 0.00 H new ATOM 1167 N LEU A 73 -3.882 -5.820 -9.244 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.240 -6.622 -8.079 1.00 0.00 C ATOM 1169 C LEU A 73 -5.615 -7.258 -8.257 1.00 0.00 C ATOM 1170 O LEU A 73 -5.814 -8.432 -7.946 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.225 -5.759 -6.817 1.00 0.00 C ATOM 1172 CG LEU A 73 -2.860 -5.216 -6.391 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.015 -4.197 -5.273 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -1.946 -6.352 -5.957 1.00 0.00 C ATOM 0 H LEU A 73 -3.815 -4.819 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.502 -7.418 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.898 -4.915 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.633 -6.346 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.406 -4.718 -7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.033 -3.822 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.632 -3.368 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.491 -4.669 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.979 -5.947 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.395 -6.879 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.808 -7.045 -6.787 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.563 -6.474 -8.762 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.919 -6.960 -8.985 1.00 0.00 C ATOM 1188 C LYS A 74 -8.002 -7.767 -10.277 1.00 0.00 C ATOM 1189 O LYS A 74 -8.830 -8.669 -10.405 1.00 0.00 O ATOM 1190 CB LYS A 74 -8.900 -5.787 -9.041 1.00 0.00 C ATOM 1191 CG LYS A 74 -8.753 -4.929 -10.285 1.00 0.00 C ATOM 1192 CD LYS A 74 -9.182 -3.494 -10.028 1.00 0.00 C ATOM 1193 CE LYS A 74 -10.695 -3.346 -10.082 1.00 0.00 C ATOM 1194 NZ LYS A 74 -11.330 -3.656 -8.770 1.00 0.00 N ATOM 0 H LYS A 74 -6.416 -5.499 -9.024 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.187 -7.611 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.918 -6.173 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.756 -5.162 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.715 -4.945 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.353 -5.350 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.819 -3.174 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.725 -2.838 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.950 -2.328 -10.377 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.098 -4.010 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.258 -3.191 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.452 -4.685 -8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.723 -3.309 -8.000 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.138 -7.438 -11.231 1.00 0.00 N ATOM 1209 CA ASP A 75 -7.112 -8.134 -12.513 1.00 0.00 C ATOM 1210 C ASP A 75 -6.624 -9.569 -12.341 1.00 0.00 C ATOM 1211 O ASP A 75 -5.716 -9.852 -11.560 1.00 0.00 O ATOM 1212 CB ASP A 75 -6.214 -7.391 -13.503 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.955 -6.300 -14.251 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -7.783 -5.607 -13.624 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -6.706 -6.140 -15.464 1.00 0.00 O ATOM 0 H ASP A 75 -6.446 -6.694 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.128 -8.159 -12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.372 -6.953 -12.967 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.801 -8.102 -14.219 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.240 -10.497 -13.088 1.00 0.00 N ATOM 1221 CA PRO A 76 -6.885 -11.918 -13.036 1.00 0.00 C ATOM 1222 C PRO A 76 -5.515 -12.196 -13.646 1.00 0.00 C ATOM 1223 O PRO A 76 -4.673 -12.853 -13.033 1.00 0.00 O ATOM 1224 CB PRO A 76 -7.985 -12.589 -13.864 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.461 -11.526 -14.793 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.330 -10.230 -14.041 1.00 0.00 C ATOM 0 HA PRO A 76 -6.820 -12.285 -12.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.600 -13.449 -14.411 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.794 -12.951 -13.229 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.865 -11.510 -15.706 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.495 -11.702 -15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.088 -9.402 -14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.256 -9.967 -13.529 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.298 -11.692 -14.856 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.029 -11.884 -15.549 1.00 0.00 C ATOM 1236 C LYS A 77 -2.859 -11.798 -14.574 1.00 0.00 C ATOM 1237 O LYS A 77 -1.811 -12.405 -14.793 1.00 0.00 O ATOM 1238 CB LYS A 77 -3.865 -10.838 -16.654 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.224 -9.429 -16.216 1.00 0.00 C ATOM 1240 CD LYS A 77 -3.020 -8.696 -15.650 1.00 0.00 C ATOM 1241 CE LYS A 77 -2.249 -7.967 -16.740 1.00 0.00 C ATOM 1242 NZ LYS A 77 -1.023 -7.311 -16.207 1.00 0.00 N ATOM 0 H LYS A 77 -5.985 -11.147 -15.378 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.034 -12.878 -15.996 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.832 -10.849 -17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.491 -11.116 -17.502 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.623 -8.874 -17.065 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.012 -9.471 -15.464 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.349 -7.981 -14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.362 -9.407 -15.150 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.972 -8.673 -17.523 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.892 -7.217 -17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.859 -6.418 -16.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.147 -7.116 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.206 -7.941 -16.341 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.045 -11.041 -13.498 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.004 -10.876 -12.490 1.00 0.00 C ATOM 1258 C ASN A 78 -2.458 -11.435 -11.144 1.00 0.00 C ATOM 1259 O ASN A 78 -2.984 -10.707 -10.304 1.00 0.00 O ATOM 1260 CB ASN A 78 -1.636 -9.399 -12.343 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.522 -8.984 -13.284 1.00 0.00 C ATOM 1262 OD1 ASN A 78 0.189 -7.920 -12.928 1.00 0.00 O flip ATOM 1263 ND2 ASN A 78 -0.302 -9.614 -14.319 1.00 0.00 N flip ATOM 0 H ASN A 78 -3.907 -10.532 -13.301 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.125 -11.431 -12.817 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.517 -8.787 -12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.331 -9.204 -11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.874 -10.426 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.452 -9.324 -14.942 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.248 -12.733 -10.948 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.635 -13.390 -9.704 1.00 0.00 C ATOM 1272 C ASN A 79 -1.411 -13.687 -8.843 1.00 0.00 C ATOM 1273 O ASN A 79 -1.348 -14.717 -8.171 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.390 -14.687 -10.002 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.645 -15.579 -10.975 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.498 -15.958 -10.735 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -3.295 -15.921 -12.082 1.00 0.00 N ATOM 0 H ASN A 79 -1.813 -13.350 -11.634 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.290 -12.715 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.557 -15.229 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.371 -14.447 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.844 -16.520 -12.773 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.245 -15.584 -12.240 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.442 -12.778 -8.867 1.00 0.00 N ATOM 1285 CA ILE A 80 0.778 -12.942 -8.087 1.00 0.00 C ATOM 1286 C ILE A 80 1.096 -11.681 -7.291 1.00 0.00 C ATOM 1287 O ILE A 80 1.220 -11.721 -6.066 1.00 0.00 O ATOM 1288 CB ILE A 80 1.980 -13.283 -8.988 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.691 -14.545 -9.805 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.236 -13.466 -8.149 1.00 0.00 C ATOM 1291 CD1 ILE A 80 1.848 -15.825 -9.015 1.00 0.00 C ATOM 0 H ILE A 80 -0.478 -11.921 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 80 0.603 -13.769 -7.398 1.00 0.00 H new ATOM 0 HB ILE A 80 2.144 -12.455 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.675 -14.491 -10.195 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.361 -14.573 -10.664 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.077 -13.707 -8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.449 -12.545 -7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.084 -14.278 -7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.628 -16.678 -9.657 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.871 -15.902 -8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.158 -15.818 -8.171 1.00 0.00 H new ATOM 1303 N LEU A 81 1.225 -10.561 -7.994 1.00 0.00 N ATOM 1304 CA LEU A 81 1.526 -9.286 -7.353 1.00 0.00 C ATOM 1305 C LEU A 81 0.885 -9.206 -5.972 1.00 0.00 C ATOM 1306 O LEU A 81 1.579 -9.182 -4.955 1.00 0.00 O ATOM 1307 CB LEU A 81 1.035 -8.127 -8.223 1.00 0.00 C ATOM 1308 CG LEU A 81 1.740 -6.786 -8.015 1.00 0.00 C ATOM 1309 CD1 LEU A 81 3.239 -6.932 -8.227 1.00 0.00 C ATOM 1310 CD2 LEU A 81 1.167 -5.731 -8.950 1.00 0.00 C ATOM 0 H LEU A 81 1.126 -10.510 -9.008 1.00 0.00 H new ATOM 0 HA LEU A 81 2.607 -9.213 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.143 -8.413 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.030 -7.987 -8.039 1.00 0.00 H new ATOM 0 HG LEU A 81 1.569 -6.463 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.724 -5.968 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.638 -7.655 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.431 -7.278 -9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.681 -4.783 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.306 -6.047 -9.984 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.103 -5.606 -8.749 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.443 -9.168 -5.942 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.178 -9.092 -4.685 1.00 0.00 C ATOM 1324 C PHE A 82 -0.601 -10.063 -3.659 1.00 0.00 C ATOM 1325 O PHE A 82 -0.473 -9.734 -2.479 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.659 -9.397 -4.917 1.00 0.00 C ATOM 1327 CG PHE A 82 -2.966 -10.866 -4.976 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.904 -11.552 -6.179 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.316 -11.562 -3.830 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.187 -12.904 -6.236 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.599 -12.914 -3.882 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.534 -13.586 -5.086 1.00 0.00 C ATOM 0 H PHE A 82 -1.032 -9.189 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.080 -8.079 -4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.245 -8.943 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.976 -8.930 -5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.632 -11.025 -7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.368 -11.042 -2.885 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.137 -13.427 -7.180 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.871 -13.444 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.754 -14.643 -5.129 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.255 -11.261 -4.116 1.00 0.00 N ATOM 1343 CA LYS A 83 0.308 -12.281 -3.240 1.00 0.00 C ATOM 1344 C LYS A 83 1.702 -11.882 -2.767 1.00 0.00 C ATOM 1345 O LYS A 83 1.958 -11.785 -1.567 1.00 0.00 O ATOM 1346 CB LYS A 83 0.370 -13.628 -3.965 1.00 0.00 C ATOM 1347 CG LYS A 83 0.307 -14.825 -3.032 1.00 0.00 C ATOM 1348 CD LYS A 83 0.064 -16.115 -3.796 1.00 0.00 C ATOM 1349 CE LYS A 83 -1.411 -16.305 -4.115 1.00 0.00 C ATOM 1350 NZ LYS A 83 -1.652 -17.543 -4.907 1.00 0.00 N ATOM 0 H LYS A 83 -0.355 -11.550 -5.089 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.340 -12.374 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.455 -13.687 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.292 -13.677 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.240 -14.902 -2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.489 -14.677 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.639 -16.104 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.422 -16.960 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.980 -16.351 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.777 -15.441 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.669 -17.637 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.129 -17.488 -5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.327 -18.370 -4.366 1.00 0.00 H new ATOM 1364 N LYS A 84 2.601 -11.651 -3.718 1.00 0.00 N ATOM 1365 CA LYS A 84 3.969 -11.259 -3.399 1.00 0.00 C ATOM 1366 C LYS A 84 4.004 -10.354 -2.172 1.00 0.00 C ATOM 1367 O LYS A 84 4.723 -10.624 -1.210 1.00 0.00 O ATOM 1368 CB LYS A 84 4.608 -10.544 -4.592 1.00 0.00 C ATOM 1369 CG LYS A 84 4.635 -11.381 -5.859 1.00 0.00 C ATOM 1370 CD LYS A 84 5.941 -12.146 -5.994 1.00 0.00 C ATOM 1371 CE LYS A 84 5.868 -13.498 -5.300 1.00 0.00 C ATOM 1372 NZ LYS A 84 6.715 -14.517 -5.980 1.00 0.00 N ATOM 0 H LYS A 84 2.407 -11.729 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 84 4.537 -12.163 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.061 -9.622 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.628 -10.261 -4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.801 -12.082 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.500 -10.735 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.173 -12.289 -7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.754 -11.559 -5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.189 -13.392 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.833 -13.841 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.638 -15.424 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.393 -14.637 -6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.706 -14.203 -5.977 1.00 0.00 H new ATOM 1386 N VAL A 85 3.222 -9.280 -2.212 1.00 0.00 N ATOM 1387 CA VAL A 85 3.162 -8.337 -1.101 1.00 0.00 C ATOM 1388 C VAL A 85 2.771 -9.038 0.195 1.00 0.00 C ATOM 1389 O VAL A 85 3.361 -8.794 1.248 1.00 0.00 O ATOM 1390 CB VAL A 85 2.158 -7.203 -1.382 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.843 -6.440 -0.105 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.699 -6.267 -2.453 1.00 0.00 C ATOM 0 H VAL A 85 2.621 -9.041 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 85 4.159 -7.911 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 85 1.232 -7.644 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.132 -5.643 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.411 -7.121 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.760 -6.009 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.977 -5.472 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.639 -5.832 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.868 -6.826 -3.373 1.00 0.00 H new ATOM 1402 N LEU A 86 1.772 -9.910 0.111 1.00 0.00 N ATOM 1403 CA LEU A 86 1.301 -10.648 1.278 1.00 0.00 C ATOM 1404 C LEU A 86 2.379 -11.596 1.793 1.00 0.00 C ATOM 1405 O LEU A 86 2.770 -11.535 2.959 1.00 0.00 O ATOM 1406 CB LEU A 86 0.036 -11.435 0.931 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.287 -10.688 1.100 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.385 -9.544 0.102 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.462 -11.641 0.939 1.00 0.00 C ATOM 0 H LEU A 86 1.273 -10.123 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 86 1.070 -9.929 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.112 -11.768 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.007 -12.330 1.553 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.320 -10.269 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.333 -9.024 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.562 -8.848 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.330 -9.940 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.395 -11.092 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.433 -12.089 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.400 -12.426 1.693 1.00 0.00 H new ATOM 1421 N LYS A 87 2.857 -12.473 0.917 1.00 0.00 N ATOM 1422 CA LYS A 87 3.893 -13.432 1.281 1.00 0.00 C ATOM 1423 C LYS A 87 5.121 -12.722 1.841 1.00 0.00 C ATOM 1424 O LYS A 87 5.600 -13.051 2.925 1.00 0.00 O ATOM 1425 CB LYS A 87 4.287 -14.274 0.065 1.00 0.00 C ATOM 1426 CG LYS A 87 3.102 -14.887 -0.661 1.00 0.00 C ATOM 1427 CD LYS A 87 2.265 -15.749 0.268 1.00 0.00 C ATOM 1428 CE LYS A 87 2.980 -17.044 0.623 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.149 -17.928 -0.563 1.00 0.00 N ATOM 0 H LYS A 87 2.543 -12.539 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 87 3.491 -14.087 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.846 -13.650 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.957 -15.071 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.482 -14.095 -1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.458 -15.490 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.042 -15.194 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.311 -15.977 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.958 -16.814 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.415 -17.572 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.351 -18.898 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.275 -17.923 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.939 -17.582 -1.145 1.00 0.00 H new ATOM 1443 N GLY A 88 5.625 -11.744 1.094 1.00 0.00 N ATOM 1444 CA GLY A 88 6.792 -11.002 1.533 1.00 0.00 C ATOM 1445 C GLY A 88 7.873 -10.940 0.473 1.00 0.00 C ATOM 1446 O GLY A 88 9.057 -10.830 0.790 1.00 0.00 O ATOM 0 H GLY A 88 5.246 -11.453 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.494 -9.989 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.196 -11.466 2.433 1.00 0.00 H new ATOM 1450 N GLU A 89 7.466 -11.013 -0.791 1.00 0.00 N ATOM 1451 CA GLU A 89 8.410 -10.967 -1.901 1.00 0.00 C ATOM 1452 C GLU A 89 8.462 -9.570 -2.514 1.00 0.00 C ATOM 1453 O GLU A 89 9.539 -9.017 -2.734 1.00 0.00 O ATOM 1454 CB GLU A 89 8.023 -11.991 -2.971 1.00 0.00 C ATOM 1455 CG GLU A 89 8.433 -13.413 -2.628 1.00 0.00 C ATOM 1456 CD GLU A 89 9.821 -13.758 -3.131 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.147 -13.384 -4.277 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.581 -14.403 -2.379 1.00 0.00 O ATOM 0 H GLU A 89 6.489 -11.104 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 89 9.399 -11.212 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.944 -11.959 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.484 -11.707 -3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.399 -13.546 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.712 -14.109 -3.057 1.00 0.00 H new ATOM 1465 N VAL A 90 7.290 -9.006 -2.787 1.00 0.00 N ATOM 1466 CA VAL A 90 7.201 -7.674 -3.373 1.00 0.00 C ATOM 1467 C VAL A 90 6.877 -6.628 -2.313 1.00 0.00 C ATOM 1468 O VAL A 90 5.812 -6.661 -1.695 1.00 0.00 O ATOM 1469 CB VAL A 90 6.129 -7.618 -4.478 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.660 -6.188 -4.696 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.665 -8.215 -5.771 1.00 0.00 C ATOM 0 H VAL A 90 6.389 -9.451 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 90 8.175 -7.455 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 90 5.272 -8.211 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.903 -6.169 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.234 -5.800 -3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.506 -5.569 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.895 -8.167 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.539 -7.651 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.946 -9.255 -5.603 1.00 0.00 H new ATOM 1481 N THR A 91 7.803 -5.696 -2.107 1.00 0.00 N ATOM 1482 CA THR A 91 7.618 -4.639 -1.122 1.00 0.00 C ATOM 1483 C THR A 91 6.491 -3.697 -1.531 1.00 0.00 C ATOM 1484 O THR A 91 6.260 -3.443 -2.713 1.00 0.00 O ATOM 1485 CB THR A 91 8.908 -3.822 -0.924 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.443 -3.435 -2.195 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.946 -4.626 -0.156 1.00 0.00 C ATOM 0 H THR A 91 8.689 -5.653 -2.610 1.00 0.00 H new ATOM 0 HA THR A 91 7.358 -5.126 -0.182 1.00 0.00 H new ATOM 0 HB THR A 91 8.662 -2.931 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.391 -3.206 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.848 -4.028 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.547 -4.894 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.187 -5.533 -0.711 1.00 0.00 H new ATOM 1495 N PRO A 92 5.772 -3.164 -0.532 1.00 0.00 N ATOM 1496 CA PRO A 92 4.657 -2.240 -0.764 1.00 0.00 C ATOM 1497 C PRO A 92 5.126 -0.884 -1.280 1.00 0.00 C ATOM 1498 O PRO A 92 4.335 -0.102 -1.806 1.00 0.00 O ATOM 1499 CB PRO A 92 4.023 -2.095 0.621 1.00 0.00 C ATOM 1500 CG PRO A 92 5.126 -2.395 1.577 1.00 0.00 C ATOM 1501 CD PRO A 92 5.991 -3.423 0.901 1.00 0.00 C ATOM 0 HA PRO A 92 3.971 -2.612 -1.525 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.630 -1.090 0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.190 -2.786 0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.697 -1.496 1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.733 -2.775 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.040 -3.308 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.699 -4.437 1.175 1.00 0.00 H new ATOM 1509 N ASP A 93 6.418 -0.613 -1.127 1.00 0.00 N ATOM 1510 CA ASP A 93 6.993 0.648 -1.579 1.00 0.00 C ATOM 1511 C ASP A 93 7.423 0.557 -3.040 1.00 0.00 C ATOM 1512 O ASP A 93 7.248 1.502 -3.810 1.00 0.00 O ATOM 1513 CB ASP A 93 8.189 1.031 -0.706 1.00 0.00 C ATOM 1514 CG ASP A 93 9.028 -0.170 -0.316 1.00 0.00 C ATOM 1515 OD1 ASP A 93 8.660 -0.860 0.657 1.00 0.00 O ATOM 1516 OD2 ASP A 93 10.054 -0.419 -0.984 1.00 0.00 O ATOM 0 H ASP A 93 7.086 -1.250 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 93 6.228 1.419 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.812 1.747 -1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.833 1.530 0.195 1.00 0.00 H new ATOM 1521 N HIS A 94 7.987 -0.587 -3.415 1.00 0.00 N ATOM 1522 CA HIS A 94 8.443 -0.802 -4.784 1.00 0.00 C ATOM 1523 C HIS A 94 7.259 -0.968 -5.731 1.00 0.00 C ATOM 1524 O HIS A 94 7.278 -0.474 -6.859 1.00 0.00 O ATOM 1525 CB HIS A 94 9.346 -2.033 -4.856 1.00 0.00 C ATOM 1526 CG HIS A 94 10.309 -2.004 -6.002 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.323 -1.076 -6.110 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.410 -2.798 -7.094 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.004 -1.299 -7.220 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.471 -2.338 -7.835 1.00 0.00 N ATOM 0 H HIS A 94 8.139 -1.379 -2.790 1.00 0.00 H new ATOM 0 HA HIS A 94 9.012 0.075 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.905 -2.118 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.725 -2.925 -4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.775 -3.637 -7.337 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.853 -0.728 -7.566 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.794 -2.735 -8.717 1.00 0.00 H new ATOM 1539 N LEU A 95 6.229 -1.667 -5.266 1.00 0.00 N ATOM 1540 CA LEU A 95 5.035 -1.899 -6.071 1.00 0.00 C ATOM 1541 C LEU A 95 4.705 -0.676 -6.920 1.00 0.00 C ATOM 1542 O LEU A 95 4.226 -0.802 -8.048 1.00 0.00 O ATOM 1543 CB LEU A 95 3.848 -2.246 -5.172 1.00 0.00 C ATOM 1544 CG LEU A 95 2.776 -3.143 -5.791 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.954 -3.821 -4.705 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.877 -2.337 -6.718 1.00 0.00 C ATOM 0 H LEU A 95 6.197 -2.083 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 95 5.234 -2.738 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.228 -2.735 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.376 -1.317 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 95 3.271 -3.916 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.196 -4.455 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.608 -4.431 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.468 -3.063 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.120 -2.991 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.390 -1.542 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.476 -1.899 -7.516 1.00 0.00 H new ATOM 1558 N ILE A 96 4.964 0.506 -6.372 1.00 0.00 N ATOM 1559 CA ILE A 96 4.697 1.752 -7.080 1.00 0.00 C ATOM 1560 C ILE A 96 5.735 1.997 -8.170 1.00 0.00 C ATOM 1561 O ILE A 96 5.391 2.339 -9.302 1.00 0.00 O ATOM 1562 CB ILE A 96 4.685 2.955 -6.119 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.811 2.652 -4.899 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.189 4.201 -6.836 1.00 0.00 C ATOM 1565 CD1 ILE A 96 4.054 3.586 -3.735 1.00 0.00 C ATOM 0 H ILE A 96 5.359 0.627 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 96 3.712 1.652 -7.535 1.00 0.00 H new ATOM 0 HB ILE A 96 5.704 3.138 -5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.762 2.712 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.994 1.627 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.186 5.043 -6.143 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.847 4.424 -7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.177 4.031 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.401 3.312 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.094 3.509 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.843 4.611 -4.041 1.00 0.00 H new ATOM 1577 N ARG A 97 7.005 1.819 -7.822 1.00 0.00 N ATOM 1578 CA ARG A 97 8.093 2.021 -8.771 1.00 0.00 C ATOM 1579 C ARG A 97 8.242 0.813 -9.692 1.00 0.00 C ATOM 1580 O ARG A 97 9.005 0.847 -10.657 1.00 0.00 O ATOM 1581 CB ARG A 97 9.406 2.274 -8.028 1.00 0.00 C ATOM 1582 CG ARG A 97 9.445 3.607 -7.299 1.00 0.00 C ATOM 1583 CD ARG A 97 10.596 3.665 -6.305 1.00 0.00 C ATOM 1584 NE ARG A 97 11.868 3.959 -6.959 1.00 0.00 N ATOM 1585 CZ ARG A 97 13.020 4.069 -6.307 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.060 3.909 -4.991 1.00 0.00 N ATOM 1587 NH2 ARG A 97 14.137 4.339 -6.971 1.00 0.00 N ATOM 0 H ARG A 97 7.306 1.535 -6.890 1.00 0.00 H new ATOM 0 HA ARG A 97 7.854 2.893 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.567 1.471 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.230 2.234 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.547 4.416 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.502 3.764 -6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.389 4.428 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.670 2.713 -5.780 1.00 0.00 H new ATOM 0 HE ARG A 97 11.872 4.087 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.204 3.701 -4.476 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.946 3.994 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.111 4.462 -7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.021 4.423 -6.469 1.00 0.00 H new ATOM 1601 N MET A 98 7.508 -0.252 -9.386 1.00 0.00 N ATOM 1602 CA MET A 98 7.559 -1.469 -10.187 1.00 0.00 C ATOM 1603 C MET A 98 7.201 -1.179 -11.641 1.00 0.00 C ATOM 1604 O MET A 98 6.223 -0.486 -11.923 1.00 0.00 O ATOM 1605 CB MET A 98 6.606 -2.521 -9.615 1.00 0.00 C ATOM 1606 CG MET A 98 7.152 -3.233 -8.389 1.00 0.00 C ATOM 1607 SD MET A 98 6.282 -4.772 -8.034 1.00 0.00 S ATOM 1608 CE MET A 98 6.818 -5.789 -9.407 1.00 0.00 C ATOM 0 H MET A 98 6.872 -0.297 -8.590 1.00 0.00 H new ATOM 0 HA MET A 98 8.578 -1.854 -10.153 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.662 -2.042 -9.356 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.388 -3.259 -10.387 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.211 -3.445 -8.538 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.078 -2.571 -7.526 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.654 -6.840 -9.167 1.00 0.00 H new ATOM 0 HE2 MET A 98 6.248 -5.527 -10.298 1.00 0.00 H new ATOM 0 HE3 MET A 98 7.879 -5.620 -9.593 1.00 0.00 H new ATOM 1618 N SER A 99 7.999 -1.713 -12.560 1.00 0.00 N ATOM 1619 CA SER A 99 7.768 -1.507 -13.985 1.00 0.00 C ATOM 1620 C SER A 99 6.449 -2.140 -14.419 1.00 0.00 C ATOM 1621 O SER A 99 5.891 -3.001 -13.739 1.00 0.00 O ATOM 1622 CB SER A 99 8.921 -2.096 -14.800 1.00 0.00 C ATOM 1623 OG SER A 99 9.942 -1.135 -15.008 1.00 0.00 O ATOM 0 H SER A 99 8.811 -2.291 -12.343 1.00 0.00 H new ATOM 0 HA SER A 99 7.714 -0.434 -14.168 1.00 0.00 H new ATOM 0 HB2 SER A 99 9.332 -2.962 -14.281 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.548 -2.449 -15.762 1.00 0.00 H new ATOM 0 HG SER A 99 10.668 -1.537 -15.530 1.00 0.00 H new ATOM 1629 N PRO A 100 5.937 -1.702 -15.579 1.00 0.00 N ATOM 1630 CA PRO A 100 4.678 -2.212 -16.131 1.00 0.00 C ATOM 1631 C PRO A 100 4.798 -3.653 -16.614 1.00 0.00 C ATOM 1632 O PRO A 100 3.799 -4.290 -16.947 1.00 0.00 O ATOM 1633 CB PRO A 100 4.402 -1.274 -17.308 1.00 0.00 C ATOM 1634 CG PRO A 100 5.743 -0.763 -17.708 1.00 0.00 C ATOM 1635 CD PRO A 100 6.548 -0.677 -16.441 1.00 0.00 C ATOM 0 HA PRO A 100 3.883 -2.228 -15.386 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.918 -1.802 -18.130 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.738 -0.459 -17.018 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.217 -1.431 -18.427 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.662 0.213 -18.186 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.604 -0.880 -16.621 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.486 0.314 -15.992 1.00 0.00 H new ATOM 1643 N GLU A 101 6.026 -4.160 -16.650 1.00 0.00 N ATOM 1644 CA GLU A 101 6.275 -5.527 -17.094 1.00 0.00 C ATOM 1645 C GLU A 101 6.512 -6.451 -15.903 1.00 0.00 C ATOM 1646 O GLU A 101 6.314 -7.662 -15.995 1.00 0.00 O ATOM 1647 CB GLU A 101 7.481 -5.569 -18.034 1.00 0.00 C ATOM 1648 CG GLU A 101 7.639 -6.894 -18.761 1.00 0.00 C ATOM 1649 CD GLU A 101 8.961 -7.002 -19.496 1.00 0.00 C ATOM 1650 OE1 GLU A 101 10.013 -7.038 -18.824 1.00 0.00 O ATOM 1651 OE2 GLU A 101 8.944 -7.052 -20.744 1.00 0.00 O ATOM 0 H GLU A 101 6.864 -3.646 -16.377 1.00 0.00 H new ATOM 0 HA GLU A 101 5.392 -5.874 -17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.386 -4.770 -18.769 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.386 -5.369 -17.460 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.559 -7.710 -18.043 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.821 -7.014 -19.472 1.00 0.00 H new ATOM 1658 N GLU A 102 6.937 -5.869 -14.785 1.00 0.00 N ATOM 1659 CA GLU A 102 7.202 -6.640 -13.577 1.00 0.00 C ATOM 1660 C GLU A 102 5.903 -6.978 -12.851 1.00 0.00 C ATOM 1661 O GLU A 102 5.721 -8.096 -12.368 1.00 0.00 O ATOM 1662 CB GLU A 102 8.134 -5.864 -12.644 1.00 0.00 C ATOM 1663 CG GLU A 102 9.529 -5.661 -13.209 1.00 0.00 C ATOM 1664 CD GLU A 102 10.226 -6.969 -13.527 1.00 0.00 C ATOM 1665 OE1 GLU A 102 10.192 -7.883 -12.677 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.806 -7.079 -14.628 1.00 0.00 O ATOM 0 H GLU A 102 7.105 -4.867 -14.692 1.00 0.00 H new ATOM 0 HA GLU A 102 7.687 -7.571 -13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.692 -4.891 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.209 -6.395 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.466 -5.058 -14.115 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.129 -5.099 -12.493 1.00 0.00 H new ATOM 1673 N LEU A 103 5.003 -6.003 -12.777 1.00 0.00 N ATOM 1674 CA LEU A 103 3.720 -6.195 -12.110 1.00 0.00 C ATOM 1675 C LEU A 103 3.099 -7.533 -12.499 1.00 0.00 C ATOM 1676 O LEU A 103 2.322 -8.111 -11.740 1.00 0.00 O ATOM 1677 CB LEU A 103 2.764 -5.054 -12.461 1.00 0.00 C ATOM 1678 CG LEU A 103 3.204 -3.654 -12.031 1.00 0.00 C ATOM 1679 CD1 LEU A 103 2.293 -2.598 -12.638 1.00 0.00 C ATOM 1680 CD2 LEU A 103 3.216 -3.541 -10.513 1.00 0.00 C ATOM 0 H LEU A 103 5.138 -5.072 -13.171 1.00 0.00 H new ATOM 0 HA LEU A 103 3.894 -6.196 -11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.615 -5.051 -13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.796 -5.265 -12.006 1.00 0.00 H new ATOM 0 HG LEU A 103 4.217 -3.485 -12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.622 -1.608 -12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.335 -2.663 -13.725 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.269 -2.765 -12.303 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.532 -2.538 -10.225 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.215 -3.731 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.910 -4.272 -10.099 1.00 0.00 H new