USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=24 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= 0.268 X(o=0.58,f=0.16) USER MOD Set 1.2: A 78 ASN : amide:sc= 0.315 K(o=0.58,f=-4.1!) USER MOD Set 2.1: A 31 SER OG : rot -80:sc= -0.783 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 180:sc= 0 USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= -2.02 USER MOD Set 3.3: A 70 MET CE :methyl 178:sc= -0.897 (180deg=-0.929) USER MOD Single : A 11 GLN : amide:sc= -0.654 K(o=-0.65,f=-3.2!) USER MOD Single : A 14 GLN : amide:sc= -1.55! C(o=-1.5!,f=-2.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.973 F(o=-2!,f=-0.97) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -162:sc= -1.61 (180deg=-2.05) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -118:sc= -2.84! (180deg=-6.92!) USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.137) USER MOD Single : A 45 THR OG1 : rot 69:sc= 0.0828 USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.185 (180deg=-0.903) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 62:sc= 0.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -163:sc= 0.825 USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00546) USER MOD Single : A 64 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.42) USER MOD Single : A 65 LYS NZ :NH3+ -105:sc= 0.0396 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 0.118 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -122:sc= 0.0633 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.18) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00438) USER MOD Single : A 91 THR OG1 : rot -170:sc= -1.2 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl -150:sc= -0.162 (180deg=-0.554) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N ALA A 9 -8.800 16.097 1.755 1.00 0.00 N ATOM 78 CA ALA A 9 -7.816 15.150 1.245 1.00 0.00 C ATOM 79 C ALA A 9 -7.616 13.990 2.214 1.00 0.00 C ATOM 80 O ALA A 9 -7.535 12.832 1.804 1.00 0.00 O ATOM 81 CB ALA A 9 -6.493 15.854 0.981 1.00 0.00 C ATOM 0 HA ALA A 9 -8.192 14.744 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.768 15.135 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.642 16.644 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.121 16.289 1.909 1.00 0.00 H new ATOM 87 N ASP A 10 -7.536 14.309 3.501 1.00 0.00 N ATOM 88 CA ASP A 10 -7.345 13.292 4.530 1.00 0.00 C ATOM 89 C ASP A 10 -8.172 12.047 4.224 1.00 0.00 C ATOM 90 O ASP A 10 -7.736 10.924 4.475 1.00 0.00 O ATOM 91 CB ASP A 10 -7.727 13.848 5.903 1.00 0.00 C ATOM 92 CG ASP A 10 -8.912 14.791 5.837 1.00 0.00 C ATOM 93 OD1 ASP A 10 -8.814 15.820 5.135 1.00 0.00 O ATOM 94 OD2 ASP A 10 -9.938 14.500 6.486 1.00 0.00 O ATOM 0 H ASP A 10 -7.600 15.263 3.857 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.291 13.013 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.961 13.022 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.872 14.373 6.330 1.00 0.00 H new ATOM 99 N GLN A 11 -9.367 12.256 3.680 1.00 0.00 N ATOM 100 CA GLN A 11 -10.255 11.150 3.341 1.00 0.00 C ATOM 101 C GLN A 11 -9.764 10.419 2.096 1.00 0.00 C ATOM 102 O GLN A 11 -9.872 9.197 1.998 1.00 0.00 O ATOM 103 CB GLN A 11 -11.679 11.661 3.119 1.00 0.00 C ATOM 104 CG GLN A 11 -12.524 11.675 4.383 1.00 0.00 C ATOM 105 CD GLN A 11 -12.764 10.285 4.940 1.00 0.00 C ATOM 106 OE1 GLN A 11 -12.264 9.295 4.405 1.00 0.00 O ATOM 107 NE2 GLN A 11 -13.532 10.205 6.020 1.00 0.00 N ATOM 0 H GLN A 11 -9.742 13.180 3.465 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.255 10.448 4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.634 12.671 2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.168 11.036 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -12.030 12.285 5.139 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.483 12.147 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.925 11.052 6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.729 9.296 6.440 1.00 0.00 H new ATOM 116 N ILE A 12 -9.225 11.176 1.146 1.00 0.00 N ATOM 117 CA ILE A 12 -8.717 10.601 -0.093 1.00 0.00 C ATOM 118 C ILE A 12 -7.871 9.362 0.183 1.00 0.00 C ATOM 119 O ILE A 12 -8.081 8.308 -0.419 1.00 0.00 O ATOM 120 CB ILE A 12 -7.874 11.619 -0.883 1.00 0.00 C ATOM 121 CG1 ILE A 12 -8.752 12.774 -1.368 1.00 0.00 C ATOM 122 CG2 ILE A 12 -7.187 10.939 -2.058 1.00 0.00 C ATOM 123 CD1 ILE A 12 -9.453 12.492 -2.679 1.00 0.00 C ATOM 0 H ILE A 12 -9.129 12.189 1.211 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.585 10.321 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.107 12.023 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.499 12.996 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.136 13.666 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.595 11.671 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.534 10.147 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.939 10.510 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.057 13.354 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.711 12.299 -3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.096 11.619 -2.567 1.00 0.00 H new ATOM 135 N ARG A 13 -6.916 9.496 1.097 1.00 0.00 N ATOM 136 CA ARG A 13 -6.039 8.388 1.453 1.00 0.00 C ATOM 137 C ARG A 13 -6.817 7.286 2.167 1.00 0.00 C ATOM 138 O ARG A 13 -6.780 6.125 1.761 1.00 0.00 O ATOM 139 CB ARG A 13 -4.897 8.879 2.344 1.00 0.00 C ATOM 140 CG ARG A 13 -4.098 10.021 1.736 1.00 0.00 C ATOM 141 CD ARG A 13 -3.282 10.753 2.790 1.00 0.00 C ATOM 142 NE ARG A 13 -2.304 9.877 3.431 1.00 0.00 N ATOM 143 CZ ARG A 13 -1.714 10.157 4.587 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.000 11.282 5.227 1.00 0.00 N ATOM 145 NH2 ARG A 13 -0.834 9.309 5.107 1.00 0.00 N ATOM 0 H ARG A 13 -6.730 10.361 1.604 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.623 7.978 0.533 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.307 9.203 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.225 8.046 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.433 9.631 0.965 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.776 10.721 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.767 11.596 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.951 11.164 3.546 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.061 9.003 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.675 11.936 4.832 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.545 11.494 6.115 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.611 8.442 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.381 9.525 5.995 1.00 0.00 H new ATOM 159 N GLN A 14 -7.519 7.659 3.232 1.00 0.00 N ATOM 160 CA GLN A 14 -8.305 6.702 4.002 1.00 0.00 C ATOM 161 C GLN A 14 -9.083 5.769 3.080 1.00 0.00 C ATOM 162 O GLN A 14 -9.076 4.552 3.264 1.00 0.00 O ATOM 163 CB GLN A 14 -9.268 7.436 4.936 1.00 0.00 C ATOM 164 CG GLN A 14 -9.588 6.667 6.208 1.00 0.00 C ATOM 165 CD GLN A 14 -8.603 6.952 7.325 1.00 0.00 C ATOM 166 OE1 GLN A 14 -7.398 7.054 7.095 1.00 0.00 O ATOM 167 NE2 GLN A 14 -9.113 7.082 8.544 1.00 0.00 N ATOM 0 H GLN A 14 -7.560 8.616 3.581 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.618 6.102 4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.837 8.401 5.204 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.196 7.639 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.593 6.925 6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.588 5.599 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.118 6.990 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.499 7.274 9.336 1.00 0.00 H new ATOM 176 N SER A 15 -9.753 6.348 2.089 1.00 0.00 N ATOM 177 CA SER A 15 -10.539 5.569 1.141 1.00 0.00 C ATOM 178 C SER A 15 -9.669 4.534 0.434 1.00 0.00 C ATOM 179 O SER A 15 -10.000 3.349 0.397 1.00 0.00 O ATOM 180 CB SER A 15 -11.194 6.490 0.110 1.00 0.00 C ATOM 181 OG SER A 15 -12.316 5.867 -0.491 1.00 0.00 O ATOM 0 H SER A 15 -9.767 7.354 1.922 1.00 0.00 H new ATOM 0 HA SER A 15 -11.317 5.046 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.504 7.418 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.468 6.756 -0.658 1.00 0.00 H new ATOM 0 HG SER A 15 -12.718 6.477 -1.145 1.00 0.00 H new ATOM 187 N VAL A 16 -8.554 4.991 -0.127 1.00 0.00 N ATOM 188 CA VAL A 16 -7.634 4.107 -0.832 1.00 0.00 C ATOM 189 C VAL A 16 -7.376 2.834 -0.034 1.00 0.00 C ATOM 190 O VAL A 16 -7.479 1.726 -0.562 1.00 0.00 O ATOM 191 CB VAL A 16 -6.290 4.804 -1.115 1.00 0.00 C ATOM 192 CG1 VAL A 16 -5.335 3.855 -1.822 1.00 0.00 C ATOM 193 CG2 VAL A 16 -6.508 6.066 -1.936 1.00 0.00 C ATOM 0 H VAL A 16 -8.266 5.969 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.107 3.849 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.841 5.090 -0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.391 4.365 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.155 2.984 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.773 3.535 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.548 6.546 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.979 5.806 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.153 6.751 -1.386 1.00 0.00 H new ATOM 203 N ARG A 17 -7.040 2.999 1.241 1.00 0.00 N ATOM 204 CA ARG A 17 -6.766 1.863 2.112 1.00 0.00 C ATOM 205 C ARG A 17 -7.870 0.815 2.003 1.00 0.00 C ATOM 206 O ARG A 17 -7.662 -0.266 1.451 1.00 0.00 O ATOM 207 CB ARG A 17 -6.631 2.327 3.564 1.00 0.00 C ATOM 208 CG ARG A 17 -5.568 3.395 3.765 1.00 0.00 C ATOM 209 CD ARG A 17 -5.124 3.471 5.217 1.00 0.00 C ATOM 210 NE ARG A 17 -6.179 3.985 6.086 1.00 0.00 N ATOM 211 CZ ARG A 17 -6.245 3.734 7.389 1.00 0.00 C ATOM 212 NH1 ARG A 17 -5.322 2.982 7.971 1.00 0.00 N ATOM 213 NH2 ARG A 17 -7.237 4.238 8.113 1.00 0.00 N ATOM 0 H ARG A 17 -6.951 3.909 1.694 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.827 1.411 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.592 2.714 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.394 1.467 4.191 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.708 3.178 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.959 4.363 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.825 2.479 5.557 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.246 4.112 5.294 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.905 4.569 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.558 2.594 7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.376 2.791 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.949 4.818 7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.287 4.045 9.113 1.00 0.00 H new ATOM 227 N HIS A 18 -9.044 1.143 2.533 1.00 0.00 N ATOM 228 CA HIS A 18 -10.182 0.230 2.494 1.00 0.00 C ATOM 229 C HIS A 18 -10.219 -0.537 1.176 1.00 0.00 C ATOM 230 O HIS A 18 -10.181 -1.767 1.161 1.00 0.00 O ATOM 231 CB HIS A 18 -11.488 1.001 2.687 1.00 0.00 C ATOM 232 CG HIS A 18 -12.673 0.338 2.055 1.00 0.00 C ATOM 233 ND1 HIS A 18 -12.949 -0.971 1.847 1.00 0.00 N flip ATOM 234 CD2 HIS A 18 -13.747 1.040 1.549 1.00 0.00 C flip ATOM 235 CE1 HIS A 18 -14.173 -1.035 1.227 1.00 0.00 C flip ATOM 236 NE2 HIS A 18 -14.633 0.192 1.058 1.00 0.00 N flip ATOM 0 H HIS A 18 -9.233 2.033 2.994 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.069 -0.487 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.675 1.121 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.375 2.001 2.269 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.848 2.115 1.553 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.678 -1.941 0.926 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -15.521 0.442 0.623 1.00 0.00 H new ATOM 245 N SER A 19 -10.294 0.199 0.071 1.00 0.00 N ATOM 246 CA SER A 19 -10.341 -0.412 -1.252 1.00 0.00 C ATOM 247 C SER A 19 -9.306 -1.526 -1.374 1.00 0.00 C ATOM 248 O SER A 19 -9.652 -2.697 -1.532 1.00 0.00 O ATOM 249 CB SER A 19 -10.101 0.643 -2.333 1.00 0.00 C ATOM 250 OG SER A 19 -11.248 1.455 -2.517 1.00 0.00 O ATOM 0 H SER A 19 -10.323 1.219 0.066 1.00 0.00 H new ATOM 0 HA SER A 19 -11.332 -0.844 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.251 1.266 -2.055 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.844 0.154 -3.272 1.00 0.00 H new ATOM 0 HG SER A 19 -11.067 2.124 -3.210 1.00 0.00 H new ATOM 256 N LEU A 20 -8.033 -1.152 -1.298 1.00 0.00 N ATOM 257 CA LEU A 20 -6.945 -2.118 -1.400 1.00 0.00 C ATOM 258 C LEU A 20 -7.254 -3.374 -0.590 1.00 0.00 C ATOM 259 O LEU A 20 -7.315 -4.477 -1.133 1.00 0.00 O ATOM 260 CB LEU A 20 -5.635 -1.494 -0.914 1.00 0.00 C ATOM 261 CG LEU A 20 -5.124 -0.298 -1.718 1.00 0.00 C ATOM 262 CD1 LEU A 20 -4.200 0.560 -0.867 1.00 0.00 C ATOM 263 CD2 LEU A 20 -4.410 -0.767 -2.977 1.00 0.00 C ATOM 0 H LEU A 20 -7.729 -0.187 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.840 -2.400 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.767 -1.181 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.865 -2.265 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.980 0.309 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.846 1.407 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.743 0.925 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.348 -0.036 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.053 0.098 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.563 -1.396 -2.702 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.101 -1.339 -3.596 1.00 0.00 H new ATOM 275 N LYS A 21 -7.450 -3.198 0.712 1.00 0.00 N ATOM 276 CA LYS A 21 -7.757 -4.315 1.598 1.00 0.00 C ATOM 277 C LYS A 21 -8.905 -5.150 1.042 1.00 0.00 C ATOM 278 O LYS A 21 -8.922 -6.373 1.184 1.00 0.00 O ATOM 279 CB LYS A 21 -8.115 -3.802 2.994 1.00 0.00 C ATOM 280 CG LYS A 21 -8.140 -4.890 4.054 1.00 0.00 C ATOM 281 CD LYS A 21 -8.201 -4.303 5.454 1.00 0.00 C ATOM 282 CE LYS A 21 -9.602 -3.820 5.796 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.649 -3.148 7.124 1.00 0.00 N ATOM 0 H LYS A 21 -7.402 -2.292 1.178 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.871 -4.946 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.395 -3.038 3.287 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.092 -3.321 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.002 -5.537 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.251 -5.513 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.887 -5.054 6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.500 -3.472 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.945 -3.128 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.289 -4.667 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.621 -2.834 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.346 -3.815 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.013 -2.325 7.119 1.00 0.00 H new ATOM 297 N ASP A 22 -9.863 -4.483 0.408 1.00 0.00 N ATOM 298 CA ASP A 22 -11.014 -5.165 -0.172 1.00 0.00 C ATOM 299 C ASP A 22 -10.569 -6.256 -1.142 1.00 0.00 C ATOM 300 O ASP A 22 -11.069 -7.380 -1.098 1.00 0.00 O ATOM 301 CB ASP A 22 -11.918 -4.163 -0.893 1.00 0.00 C ATOM 302 CG ASP A 22 -13.375 -4.582 -0.877 1.00 0.00 C ATOM 303 OD1 ASP A 22 -13.801 -5.212 0.114 1.00 0.00 O ATOM 304 OD2 ASP A 22 -14.089 -4.279 -1.855 1.00 0.00 O ATOM 0 H ASP A 22 -9.865 -3.471 0.283 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.574 -5.631 0.639 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.819 -3.185 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.585 -4.055 -1.925 1.00 0.00 H new ATOM 309 N ILE A 23 -9.627 -5.915 -2.015 1.00 0.00 N ATOM 310 CA ILE A 23 -9.115 -6.865 -2.995 1.00 0.00 C ATOM 311 C ILE A 23 -8.259 -7.936 -2.327 1.00 0.00 C ATOM 312 O ILE A 23 -8.520 -9.131 -2.468 1.00 0.00 O ATOM 313 CB ILE A 23 -8.280 -6.159 -4.080 1.00 0.00 C ATOM 314 CG1 ILE A 23 -9.194 -5.401 -5.045 1.00 0.00 C ATOM 315 CG2 ILE A 23 -7.428 -7.170 -4.833 1.00 0.00 C ATOM 316 CD1 ILE A 23 -8.443 -4.604 -6.088 1.00 0.00 C ATOM 0 H ILE A 23 -9.203 -4.989 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.981 -7.334 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.617 -5.441 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.850 -6.113 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.832 -4.727 -4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.844 -6.656 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.755 -7.670 -4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.074 -7.909 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.154 -4.093 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.807 -3.868 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.825 -5.276 -6.684 1.00 0.00 H new ATOM 328 N LEU A 24 -7.238 -7.499 -1.598 1.00 0.00 N ATOM 329 CA LEU A 24 -6.344 -8.420 -0.905 1.00 0.00 C ATOM 330 C LEU A 24 -7.107 -9.254 0.119 1.00 0.00 C ATOM 331 O LEU A 24 -6.570 -10.207 0.683 1.00 0.00 O ATOM 332 CB LEU A 24 -5.219 -7.648 -0.214 1.00 0.00 C ATOM 333 CG LEU A 24 -4.398 -6.716 -1.107 1.00 0.00 C ATOM 334 CD1 LEU A 24 -3.439 -5.883 -0.271 1.00 0.00 C ATOM 335 CD2 LEU A 24 -3.638 -7.516 -2.155 1.00 0.00 C ATOM 0 H LEU A 24 -7.009 -6.513 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.913 -9.093 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.653 -7.057 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.542 -8.367 0.247 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.082 -6.039 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.864 -5.226 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.005 -5.282 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.760 -6.543 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.059 -6.837 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.965 -8.216 -1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.345 -8.068 -2.775 1.00 0.00 H new ATOM 347 N MET A 25 -8.364 -8.889 0.353 1.00 0.00 N ATOM 348 CA MET A 25 -9.202 -9.605 1.307 1.00 0.00 C ATOM 349 C MET A 25 -9.808 -10.852 0.670 1.00 0.00 C ATOM 350 O MET A 25 -9.882 -11.909 1.297 1.00 0.00 O ATOM 351 CB MET A 25 -10.314 -8.692 1.827 1.00 0.00 C ATOM 352 CG MET A 25 -9.927 -7.912 3.073 1.00 0.00 C ATOM 353 SD MET A 25 -10.315 -8.796 4.596 1.00 0.00 S ATOM 354 CE MET A 25 -8.682 -9.329 5.103 1.00 0.00 C ATOM 0 H MET A 25 -8.824 -8.102 -0.105 1.00 0.00 H new ATOM 0 HA MET A 25 -8.575 -9.914 2.143 1.00 0.00 H new ATOM 0 HB2 MET A 25 -10.594 -7.990 1.041 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.196 -9.295 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.859 -7.697 3.045 1.00 0.00 H new ATOM 0 HG3 MET A 25 -10.445 -6.953 3.072 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.772 -10.138 5.828 1.00 0.00 H new ATOM 0 HE2 MET A 25 -8.128 -9.681 4.233 1.00 0.00 H new ATOM 0 HE3 MET A 25 -8.151 -8.492 5.557 1.00 0.00 H new ATOM 364 N LYS A 26 -10.239 -10.722 -0.580 1.00 0.00 N ATOM 365 CA LYS A 26 -10.838 -11.837 -1.303 1.00 0.00 C ATOM 366 C LYS A 26 -9.777 -12.619 -2.072 1.00 0.00 C ATOM 367 O LYS A 26 -9.987 -13.776 -2.436 1.00 0.00 O ATOM 368 CB LYS A 26 -11.911 -11.329 -2.268 1.00 0.00 C ATOM 369 CG LYS A 26 -11.352 -10.535 -3.437 1.00 0.00 C ATOM 370 CD LYS A 26 -11.030 -11.434 -4.618 1.00 0.00 C ATOM 371 CE LYS A 26 -12.250 -11.655 -5.500 1.00 0.00 C ATOM 372 NZ LYS A 26 -11.913 -12.417 -6.734 1.00 0.00 N ATOM 0 H LYS A 26 -10.184 -9.855 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.300 -12.504 -0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.473 -12.180 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.615 -10.704 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.074 -9.777 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.451 -10.009 -3.123 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.229 -10.988 -5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.663 -12.394 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.012 -12.194 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.679 -10.691 -5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.771 -12.546 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.205 -11.891 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.528 -13.347 -6.473 1.00 0.00 H new ATOM 386 N ARG A 27 -8.638 -11.979 -2.315 1.00 0.00 N ATOM 387 CA ARG A 27 -7.544 -12.615 -3.040 1.00 0.00 C ATOM 388 C ARG A 27 -6.725 -13.510 -2.114 1.00 0.00 C ATOM 389 O ARG A 27 -6.195 -14.539 -2.536 1.00 0.00 O ATOM 390 CB ARG A 27 -6.640 -11.557 -3.674 1.00 0.00 C ATOM 391 CG ARG A 27 -7.342 -10.702 -4.717 1.00 0.00 C ATOM 392 CD ARG A 27 -7.630 -11.494 -5.983 1.00 0.00 C ATOM 393 NE ARG A 27 -6.504 -11.470 -6.912 1.00 0.00 N ATOM 394 CZ ARG A 27 -6.589 -11.853 -8.181 1.00 0.00 C ATOM 395 NH1 ARG A 27 -7.743 -12.286 -8.670 1.00 0.00 N ATOM 396 NH2 ARG A 27 -5.519 -11.802 -8.964 1.00 0.00 N ATOM 0 H ARG A 27 -8.448 -11.021 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.975 -13.233 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.248 -10.909 -2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.786 -12.051 -4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.276 -10.318 -4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.722 -9.839 -4.959 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.861 -12.526 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.513 -11.085 -6.473 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.602 -11.141 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.568 -12.325 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.806 -12.580 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.630 -11.468 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.586 -12.096 -9.938 1.00 0.00 H new ATOM 410 N LEU A 28 -6.626 -13.111 -0.851 1.00 0.00 N ATOM 411 CA LEU A 28 -5.871 -13.876 0.136 1.00 0.00 C ATOM 412 C LEU A 28 -6.682 -15.067 0.638 1.00 0.00 C ATOM 413 O LEU A 28 -6.147 -16.160 0.831 1.00 0.00 O ATOM 414 CB LEU A 28 -5.477 -12.981 1.312 1.00 0.00 C ATOM 415 CG LEU A 28 -6.525 -12.822 2.415 1.00 0.00 C ATOM 416 CD1 LEU A 28 -6.518 -14.033 3.336 1.00 0.00 C ATOM 417 CD2 LEU A 28 -6.276 -11.546 3.206 1.00 0.00 C ATOM 0 H LEU A 28 -7.059 -12.263 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.968 -14.251 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.567 -13.381 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.234 -11.992 0.924 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.508 -12.751 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.270 -13.902 4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.745 -14.930 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.535 -14.136 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.031 -11.449 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.286 -11.587 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.332 -10.687 2.538 1.00 0.00 H new ATOM 429 N THR A 29 -7.977 -14.850 0.846 1.00 0.00 N ATOM 430 CA THR A 29 -8.862 -15.904 1.324 1.00 0.00 C ATOM 431 C THR A 29 -9.082 -16.965 0.252 1.00 0.00 C ATOM 432 O THR A 29 -9.438 -18.104 0.555 1.00 0.00 O ATOM 433 CB THR A 29 -10.227 -15.338 1.758 1.00 0.00 C ATOM 434 OG1 THR A 29 -10.848 -16.223 2.698 1.00 0.00 O ATOM 435 CG2 THR A 29 -11.140 -15.146 0.556 1.00 0.00 C ATOM 0 H THR A 29 -8.436 -13.953 0.691 1.00 0.00 H new ATOM 0 HA THR A 29 -8.375 -16.358 2.187 1.00 0.00 H new ATOM 0 HB THR A 29 -10.061 -14.368 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.715 -15.855 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.098 -14.745 0.887 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.678 -14.450 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.299 -16.105 0.063 1.00 0.00 H new ATOM 443 N ASP A 30 -8.867 -16.586 -1.003 1.00 0.00 N ATOM 444 CA ASP A 30 -9.040 -17.506 -2.121 1.00 0.00 C ATOM 445 C ASP A 30 -7.815 -18.400 -2.283 1.00 0.00 C ATOM 446 O ASP A 30 -7.935 -19.580 -2.613 1.00 0.00 O ATOM 447 CB ASP A 30 -9.295 -16.729 -3.414 1.00 0.00 C ATOM 448 CG ASP A 30 -10.049 -17.548 -4.442 1.00 0.00 C ATOM 449 OD1 ASP A 30 -9.520 -18.596 -4.871 1.00 0.00 O ATOM 450 OD2 ASP A 30 -11.169 -17.143 -4.818 1.00 0.00 O ATOM 0 H ASP A 30 -8.572 -15.647 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.903 -18.138 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.862 -15.826 -3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.342 -16.409 -3.836 1.00 0.00 H new ATOM 455 N SER A 31 -6.637 -17.830 -2.051 1.00 0.00 N ATOM 456 CA SER A 31 -5.390 -18.575 -2.176 1.00 0.00 C ATOM 457 C SER A 31 -5.076 -19.329 -0.887 1.00 0.00 C ATOM 458 O SER A 31 -5.852 -19.300 0.067 1.00 0.00 O ATOM 459 CB SER A 31 -4.238 -17.628 -2.519 1.00 0.00 C ATOM 460 OG SER A 31 -4.185 -17.373 -3.912 1.00 0.00 O ATOM 0 H SER A 31 -6.520 -16.855 -1.776 1.00 0.00 H new ATOM 0 HA SER A 31 -5.508 -19.300 -2.981 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.362 -16.689 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.295 -18.064 -2.190 1.00 0.00 H new ATOM 0 HG SER A 31 -3.744 -18.122 -4.365 1.00 0.00 H new ATOM 466 N ASN A 32 -3.931 -20.005 -0.868 1.00 0.00 N ATOM 467 CA ASN A 32 -3.513 -20.768 0.302 1.00 0.00 C ATOM 468 C ASN A 32 -2.598 -19.936 1.196 1.00 0.00 C ATOM 469 O ASN A 32 -1.726 -20.472 1.880 1.00 0.00 O ATOM 470 CB ASN A 32 -2.797 -22.050 -0.128 1.00 0.00 C ATOM 471 CG ASN A 32 -3.712 -23.000 -0.876 1.00 0.00 C ATOM 472 OD1 ASN A 32 -4.882 -22.698 -1.108 1.00 0.00 O ATOM 473 ND2 ASN A 32 -3.180 -24.156 -1.257 1.00 0.00 N ATOM 0 H ASN A 32 -3.277 -20.040 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.405 -21.031 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.948 -21.794 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.397 -22.553 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.747 -24.836 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.205 -24.364 -1.043 1.00 0.00 H new ATOM 480 N LEU A 33 -2.804 -18.624 1.185 1.00 0.00 N ATOM 481 CA LEU A 33 -1.998 -17.717 1.995 1.00 0.00 C ATOM 482 C LEU A 33 -2.328 -17.871 3.476 1.00 0.00 C ATOM 483 O LEU A 33 -1.444 -17.808 4.331 1.00 0.00 O ATOM 484 CB LEU A 33 -2.229 -16.269 1.557 1.00 0.00 C ATOM 485 CG LEU A 33 -1.339 -15.762 0.422 1.00 0.00 C ATOM 486 CD1 LEU A 33 -1.540 -14.269 0.213 1.00 0.00 C ATOM 487 CD2 LEU A 33 0.123 -16.070 0.712 1.00 0.00 C ATOM 0 H LEU A 33 -3.522 -18.164 0.625 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.949 -17.972 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.270 -16.165 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.085 -15.621 2.422 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.623 -16.278 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.899 -13.926 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.582 -14.074 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.284 -13.736 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.742 -15.702 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.421 -15.582 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.255 -17.147 0.811 1.00 0.00 H new ATOM 499 N LYS A 34 -3.607 -18.075 3.774 1.00 0.00 N ATOM 500 CA LYS A 34 -4.055 -18.242 5.152 1.00 0.00 C ATOM 501 C LYS A 34 -3.466 -17.159 6.050 1.00 0.00 C ATOM 502 O LYS A 34 -3.096 -17.422 7.195 1.00 0.00 O ATOM 503 CB LYS A 34 -3.659 -19.624 5.674 1.00 0.00 C ATOM 504 CG LYS A 34 -4.516 -20.105 6.833 1.00 0.00 C ATOM 505 CD LYS A 34 -4.548 -21.622 6.911 1.00 0.00 C ATOM 506 CE LYS A 34 -5.694 -22.111 7.784 1.00 0.00 C ATOM 507 NZ LYS A 34 -5.345 -22.070 9.231 1.00 0.00 N ATOM 0 H LYS A 34 -4.352 -18.129 3.079 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.141 -18.152 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.728 -20.344 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.616 -19.599 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.127 -19.700 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.531 -19.724 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.650 -22.037 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.602 -21.987 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.575 -21.495 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.956 -23.131 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.151 -22.411 9.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.520 -22.678 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.120 -21.093 9.506 1.00 0.00 H new ATOM 521 N VAL A 35 -3.383 -15.941 5.525 1.00 0.00 N ATOM 522 CA VAL A 35 -2.842 -14.818 6.281 1.00 0.00 C ATOM 523 C VAL A 35 -3.937 -14.105 7.067 1.00 0.00 C ATOM 524 O VAL A 35 -5.096 -14.053 6.657 1.00 0.00 O ATOM 525 CB VAL A 35 -2.146 -13.802 5.356 1.00 0.00 C ATOM 526 CG1 VAL A 35 -1.156 -14.505 4.439 1.00 0.00 C ATOM 527 CG2 VAL A 35 -3.174 -13.025 4.549 1.00 0.00 C ATOM 0 H VAL A 35 -3.684 -15.707 4.579 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.109 -15.229 6.975 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.593 -13.094 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.674 -13.771 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.400 -15.012 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.683 -15.237 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.664 -12.312 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.757 -13.716 3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.839 -12.489 5.226 1.00 0.00 H new ATOM 537 N PRO A 36 -3.562 -13.542 8.226 1.00 0.00 N ATOM 538 CA PRO A 36 -4.498 -12.821 9.094 1.00 0.00 C ATOM 539 C PRO A 36 -4.952 -11.499 8.486 1.00 0.00 C ATOM 540 O PRO A 36 -4.168 -10.798 7.848 1.00 0.00 O ATOM 541 CB PRO A 36 -3.682 -12.573 10.365 1.00 0.00 C ATOM 542 CG PRO A 36 -2.263 -12.582 9.913 1.00 0.00 C ATOM 543 CD PRO A 36 -2.197 -13.566 8.777 1.00 0.00 C ATOM 0 HA PRO A 36 -5.415 -13.385 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.945 -11.620 10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.865 -13.347 11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.950 -11.590 9.588 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.597 -12.877 10.724 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.458 -13.271 8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.921 -14.562 9.123 1.00 0.00 H new ATOM 551 N GLU A 37 -6.223 -11.166 8.687 1.00 0.00 N ATOM 552 CA GLU A 37 -6.781 -9.927 8.157 1.00 0.00 C ATOM 553 C GLU A 37 -5.795 -8.774 8.319 1.00 0.00 C ATOM 554 O GLU A 37 -5.706 -7.895 7.462 1.00 0.00 O ATOM 555 CB GLU A 37 -8.096 -9.591 8.862 1.00 0.00 C ATOM 556 CG GLU A 37 -8.577 -8.172 8.610 1.00 0.00 C ATOM 557 CD GLU A 37 -9.915 -7.884 9.263 1.00 0.00 C ATOM 558 OE1 GLU A 37 -9.945 -7.704 10.499 1.00 0.00 O ATOM 559 OE2 GLU A 37 -10.931 -7.839 8.540 1.00 0.00 O ATOM 0 H GLU A 37 -6.885 -11.736 9.213 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.974 -10.071 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.864 -10.290 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.971 -9.738 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.834 -7.469 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.658 -8.005 7.536 1.00 0.00 H new ATOM 566 N GLU A 38 -5.057 -8.784 9.425 1.00 0.00 N ATOM 567 CA GLU A 38 -4.079 -7.738 9.701 1.00 0.00 C ATOM 568 C GLU A 38 -3.173 -7.510 8.494 1.00 0.00 C ATOM 569 O GLU A 38 -3.098 -6.403 7.960 1.00 0.00 O ATOM 570 CB GLU A 38 -3.236 -8.106 10.923 1.00 0.00 C ATOM 571 CG GLU A 38 -2.711 -6.901 11.685 1.00 0.00 C ATOM 572 CD GLU A 38 -3.672 -6.424 12.757 1.00 0.00 C ATOM 573 OE1 GLU A 38 -4.376 -7.272 13.344 1.00 0.00 O ATOM 574 OE2 GLU A 38 -3.721 -5.201 13.007 1.00 0.00 O ATOM 0 H GLU A 38 -5.118 -9.505 10.144 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.620 -6.815 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.836 -8.718 11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.393 -8.718 10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.756 -7.155 12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.521 -6.088 10.985 1.00 0.00 H new ATOM 581 N LYS A 39 -2.485 -8.565 8.071 1.00 0.00 N ATOM 582 CA LYS A 39 -1.584 -8.482 6.928 1.00 0.00 C ATOM 583 C LYS A 39 -2.168 -7.589 5.837 1.00 0.00 C ATOM 584 O LYS A 39 -1.638 -6.516 5.551 1.00 0.00 O ATOM 585 CB LYS A 39 -1.310 -9.879 6.365 1.00 0.00 C ATOM 586 CG LYS A 39 -0.610 -9.866 5.018 1.00 0.00 C ATOM 587 CD LYS A 39 0.899 -9.961 5.173 1.00 0.00 C ATOM 588 CE LYS A 39 1.538 -8.584 5.264 1.00 0.00 C ATOM 589 NZ LYS A 39 1.668 -8.125 6.675 1.00 0.00 N ATOM 0 H LYS A 39 -2.534 -9.488 8.503 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.646 -8.043 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.700 -10.435 7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.255 -10.414 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.968 -10.699 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.865 -8.951 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.138 -10.534 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.319 -10.503 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.523 -8.609 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.938 -7.867 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.108 -7.260 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.320 -8.867 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.667 -7.927 6.885 1.00 0.00 H new ATOM 603 N ALA A 40 -3.263 -8.039 5.234 1.00 0.00 N ATOM 604 CA ALA A 40 -3.921 -7.279 4.179 1.00 0.00 C ATOM 605 C ALA A 40 -3.933 -5.789 4.501 1.00 0.00 C ATOM 606 O ALA A 40 -3.435 -4.972 3.726 1.00 0.00 O ATOM 607 CB ALA A 40 -5.339 -7.787 3.968 1.00 0.00 C ATOM 0 H ALA A 40 -3.713 -8.926 5.458 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.356 -7.420 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.818 -7.210 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.310 -8.839 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.906 -7.677 4.892 1.00 0.00 H new ATOM 613 N ALA A 41 -4.505 -5.441 5.649 1.00 0.00 N ATOM 614 CA ALA A 41 -4.581 -4.049 6.074 1.00 0.00 C ATOM 615 C ALA A 41 -3.192 -3.427 6.166 1.00 0.00 C ATOM 616 O ALA A 41 -2.867 -2.496 5.428 1.00 0.00 O ATOM 617 CB ALA A 41 -5.298 -3.944 7.412 1.00 0.00 C ATOM 0 H ALA A 41 -4.923 -6.104 6.302 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.149 -3.497 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.347 -2.899 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.308 -4.342 7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.753 -4.516 8.163 1.00 0.00 H new ATOM 623 N LYS A 42 -2.375 -3.946 7.076 1.00 0.00 N ATOM 624 CA LYS A 42 -1.019 -3.442 7.265 1.00 0.00 C ATOM 625 C LYS A 42 -0.423 -2.977 5.940 1.00 0.00 C ATOM 626 O LYS A 42 0.055 -1.848 5.826 1.00 0.00 O ATOM 627 CB LYS A 42 -0.132 -4.525 7.883 1.00 0.00 C ATOM 628 CG LYS A 42 -0.584 -4.965 9.265 1.00 0.00 C ATOM 629 CD LYS A 42 0.423 -5.905 9.907 1.00 0.00 C ATOM 630 CE LYS A 42 0.123 -7.358 9.570 1.00 0.00 C ATOM 631 NZ LYS A 42 0.513 -8.276 10.676 1.00 0.00 N ATOM 0 H LYS A 42 -2.628 -4.716 7.695 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.066 -2.589 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.117 -5.391 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.891 -4.153 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.722 -4.090 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.552 -5.462 9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.427 -5.651 9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.409 -5.771 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.941 -7.470 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.656 -7.637 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.058 -9.201 10.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.546 -8.395 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.207 -7.874 11.585 1.00 0.00 H new ATOM 645 N VAL A 43 -0.455 -3.853 4.941 1.00 0.00 N ATOM 646 CA VAL A 43 0.080 -3.531 3.624 1.00 0.00 C ATOM 647 C VAL A 43 -0.565 -2.269 3.062 1.00 0.00 C ATOM 648 O VAL A 43 0.118 -1.288 2.769 1.00 0.00 O ATOM 649 CB VAL A 43 -0.134 -4.689 2.632 1.00 0.00 C ATOM 650 CG1 VAL A 43 0.440 -4.338 1.268 1.00 0.00 C ATOM 651 CG2 VAL A 43 0.487 -5.970 3.167 1.00 0.00 C ATOM 0 H VAL A 43 -0.846 -4.792 5.019 1.00 0.00 H new ATOM 0 HA VAL A 43 1.150 -3.364 3.750 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.206 -4.852 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.279 -5.169 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.056 -3.447 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.509 -4.146 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.326 -6.778 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.557 -5.822 3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.023 -6.229 4.119 1.00 0.00 H new ATOM 661 N ALA A 44 -1.886 -2.301 2.916 1.00 0.00 N ATOM 662 CA ALA A 44 -2.624 -1.159 2.392 1.00 0.00 C ATOM 663 C ALA A 44 -2.243 0.123 3.123 1.00 0.00 C ATOM 664 O ALA A 44 -2.148 1.192 2.517 1.00 0.00 O ATOM 665 CB ALA A 44 -4.122 -1.405 2.499 1.00 0.00 C ATOM 0 H ALA A 44 -2.466 -3.106 3.153 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.361 -1.039 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.661 -0.544 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.387 -2.293 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.392 -1.554 3.544 1.00 0.00 H new ATOM 671 N THR A 45 -2.027 0.012 4.430 1.00 0.00 N ATOM 672 CA THR A 45 -1.658 1.163 5.244 1.00 0.00 C ATOM 673 C THR A 45 -0.363 1.795 4.748 1.00 0.00 C ATOM 674 O THR A 45 -0.207 3.016 4.772 1.00 0.00 O ATOM 675 CB THR A 45 -1.492 0.773 6.725 1.00 0.00 C ATOM 676 OG1 THR A 45 -2.693 0.161 7.209 1.00 0.00 O ATOM 677 CG2 THR A 45 -1.161 1.993 7.572 1.00 0.00 C ATOM 0 H THR A 45 -2.101 -0.864 4.947 1.00 0.00 H new ATOM 0 HA THR A 45 -2.469 1.886 5.155 1.00 0.00 H new ATOM 0 HB THR A 45 -0.668 0.063 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.809 -0.714 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.048 1.693 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.231 2.439 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.967 2.723 7.490 1.00 0.00 H new ATOM 685 N LYS A 46 0.565 0.957 4.299 1.00 0.00 N ATOM 686 CA LYS A 46 1.847 1.434 3.794 1.00 0.00 C ATOM 687 C LYS A 46 1.712 1.951 2.366 1.00 0.00 C ATOM 688 O LYS A 46 2.347 2.937 1.991 1.00 0.00 O ATOM 689 CB LYS A 46 2.887 0.312 3.845 1.00 0.00 C ATOM 690 CG LYS A 46 2.856 -0.488 5.136 1.00 0.00 C ATOM 691 CD LYS A 46 4.228 -1.043 5.480 1.00 0.00 C ATOM 692 CE LYS A 46 5.034 -0.059 6.313 1.00 0.00 C ATOM 693 NZ LYS A 46 5.780 0.908 5.461 1.00 0.00 N ATOM 0 H LYS A 46 0.453 -0.057 4.275 1.00 0.00 H new ATOM 0 HA LYS A 46 2.176 2.256 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.722 -0.363 3.005 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.880 0.743 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.504 0.146 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.144 -1.308 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.116 -1.979 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.769 -1.273 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.365 0.485 6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.736 -0.606 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.597 1.276 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.111 0.428 4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.153 1.696 5.200 1.00 0.00 H new ATOM 707 N ILE A 47 0.881 1.282 1.575 1.00 0.00 N ATOM 708 CA ILE A 47 0.661 1.677 0.189 1.00 0.00 C ATOM 709 C ILE A 47 0.560 3.192 0.059 1.00 0.00 C ATOM 710 O ILE A 47 1.322 3.814 -0.681 1.00 0.00 O ATOM 711 CB ILE A 47 -0.619 1.037 -0.382 1.00 0.00 C ATOM 712 CG1 ILE A 47 -0.479 -0.486 -0.424 1.00 0.00 C ATOM 713 CG2 ILE A 47 -0.910 1.586 -1.771 1.00 0.00 C ATOM 714 CD1 ILE A 47 0.757 -0.959 -1.156 1.00 0.00 C ATOM 0 H ILE A 47 0.349 0.464 1.870 1.00 0.00 H new ATOM 0 HA ILE A 47 1.520 1.323 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.456 1.288 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.456 -0.869 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.361 -0.911 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.817 1.125 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.047 2.666 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.074 1.361 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.791 -2.048 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.727 -0.606 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.645 -0.564 -0.663 1.00 0.00 H new ATOM 726 N GLU A 48 -0.386 3.782 0.784 1.00 0.00 N ATOM 727 CA GLU A 48 -0.585 5.226 0.750 1.00 0.00 C ATOM 728 C GLU A 48 0.541 5.948 1.484 1.00 0.00 C ATOM 729 O GLU A 48 0.853 7.101 1.185 1.00 0.00 O ATOM 730 CB GLU A 48 -1.933 5.592 1.375 1.00 0.00 C ATOM 731 CG GLU A 48 -3.127 5.037 0.616 1.00 0.00 C ATOM 732 CD GLU A 48 -3.113 5.418 -0.852 1.00 0.00 C ATOM 733 OE1 GLU A 48 -2.279 4.866 -1.599 1.00 0.00 O ATOM 734 OE2 GLU A 48 -3.935 6.269 -1.252 1.00 0.00 O ATOM 0 H GLU A 48 -1.026 3.282 1.401 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.578 5.544 -0.293 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.961 5.222 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.018 6.678 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.137 3.951 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.046 5.403 1.074 1.00 0.00 H new ATOM 741 N LYS A 49 1.147 5.262 2.447 1.00 0.00 N ATOM 742 CA LYS A 49 2.239 5.835 3.224 1.00 0.00 C ATOM 743 C LYS A 49 3.387 6.265 2.316 1.00 0.00 C ATOM 744 O LYS A 49 3.986 7.321 2.516 1.00 0.00 O ATOM 745 CB LYS A 49 2.744 4.824 4.257 1.00 0.00 C ATOM 746 CG LYS A 49 3.415 5.466 5.458 1.00 0.00 C ATOM 747 CD LYS A 49 2.394 5.997 6.451 1.00 0.00 C ATOM 748 CE LYS A 49 3.039 6.338 7.785 1.00 0.00 C ATOM 749 NZ LYS A 49 2.042 6.370 8.891 1.00 0.00 N ATOM 0 H LYS A 49 0.900 4.307 2.708 1.00 0.00 H new ATOM 0 HA LYS A 49 1.859 6.716 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.905 4.218 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.450 4.147 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.057 4.736 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.057 6.281 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.913 6.885 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.612 5.253 6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.811 5.603 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.532 7.307 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.521 6.606 9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.319 7.089 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.589 5.438 8.977 1.00 0.00 H new ATOM 763 N GLU A 50 3.686 5.441 1.317 1.00 0.00 N ATOM 764 CA GLU A 50 4.761 5.738 0.378 1.00 0.00 C ATOM 765 C GLU A 50 4.240 6.542 -0.810 1.00 0.00 C ATOM 766 O GLU A 50 4.919 7.438 -1.313 1.00 0.00 O ATOM 767 CB GLU A 50 5.410 4.443 -0.114 1.00 0.00 C ATOM 768 CG GLU A 50 6.725 4.661 -0.844 1.00 0.00 C ATOM 769 CD GLU A 50 7.878 4.939 0.101 1.00 0.00 C ATOM 770 OE1 GLU A 50 7.952 4.278 1.158 1.00 0.00 O ATOM 771 OE2 GLU A 50 8.706 5.818 -0.217 1.00 0.00 O ATOM 0 H GLU A 50 3.199 4.563 1.137 1.00 0.00 H new ATOM 0 HA GLU A 50 5.509 6.336 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.582 3.786 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.716 3.928 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.955 3.779 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.618 5.496 -1.536 1.00 0.00 H new ATOM 778 N LEU A 51 3.031 6.216 -1.252 1.00 0.00 N ATOM 779 CA LEU A 51 2.417 6.906 -2.381 1.00 0.00 C ATOM 780 C LEU A 51 2.328 8.406 -2.119 1.00 0.00 C ATOM 781 O LEU A 51 2.711 9.218 -2.961 1.00 0.00 O ATOM 782 CB LEU A 51 1.022 6.340 -2.654 1.00 0.00 C ATOM 783 CG LEU A 51 0.519 6.459 -4.092 1.00 0.00 C ATOM 784 CD1 LEU A 51 1.120 5.365 -4.961 1.00 0.00 C ATOM 785 CD2 LEU A 51 -1.001 6.400 -4.132 1.00 0.00 C ATOM 0 H LEU A 51 2.456 5.478 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 51 3.044 6.746 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.018 5.286 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.312 6.845 -1.999 1.00 0.00 H new ATOM 0 HG LEU A 51 0.836 7.424 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.750 5.466 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.206 5.454 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.835 4.390 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.341 6.486 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.339 5.451 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.413 7.221 -3.544 1.00 0.00 H new ATOM 797 N PHE A 52 1.821 8.767 -0.944 1.00 0.00 N ATOM 798 CA PHE A 52 1.682 10.169 -0.570 1.00 0.00 C ATOM 799 C PHE A 52 3.049 10.808 -0.339 1.00 0.00 C ATOM 800 O PHE A 52 3.206 12.023 -0.461 1.00 0.00 O ATOM 801 CB PHE A 52 0.826 10.300 0.691 1.00 0.00 C ATOM 802 CG PHE A 52 0.545 11.723 1.080 1.00 0.00 C ATOM 803 CD1 PHE A 52 -0.346 12.492 0.348 1.00 0.00 C ATOM 804 CD2 PHE A 52 1.171 12.293 2.176 1.00 0.00 C ATOM 805 CE1 PHE A 52 -0.608 13.802 0.703 1.00 0.00 C ATOM 806 CE2 PHE A 52 0.914 13.602 2.536 1.00 0.00 C ATOM 807 CZ PHE A 52 0.024 14.358 1.798 1.00 0.00 C ATOM 0 H PHE A 52 1.500 8.108 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 52 1.190 10.691 -1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.120 9.781 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.331 9.799 1.517 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.842 12.063 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.869 11.707 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.306 14.390 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.408 14.034 3.394 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.177 15.382 2.077 1.00 0.00 H new ATOM 817 N SER A 53 4.033 9.980 -0.004 1.00 0.00 N ATOM 818 CA SER A 53 5.386 10.464 0.248 1.00 0.00 C ATOM 819 C SER A 53 6.173 10.580 -1.053 1.00 0.00 C ATOM 820 O SER A 53 7.154 11.319 -1.135 1.00 0.00 O ATOM 821 CB SER A 53 6.112 9.527 1.216 1.00 0.00 C ATOM 822 OG SER A 53 7.269 10.146 1.752 1.00 0.00 O ATOM 0 H SER A 53 3.919 8.972 0.099 1.00 0.00 H new ATOM 0 HA SER A 53 5.314 11.455 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.440 9.243 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.393 8.610 0.698 1.00 0.00 H new ATOM 0 HG SER A 53 7.715 9.528 2.369 1.00 0.00 H new ATOM 828 N PHE A 54 5.736 9.843 -2.069 1.00 0.00 N ATOM 829 CA PHE A 54 6.400 9.861 -3.368 1.00 0.00 C ATOM 830 C PHE A 54 5.938 11.055 -4.198 1.00 0.00 C ATOM 831 O PHE A 54 6.753 11.802 -4.740 1.00 0.00 O ATOM 832 CB PHE A 54 6.121 8.561 -4.125 1.00 0.00 C ATOM 833 CG PHE A 54 6.785 8.497 -5.470 1.00 0.00 C ATOM 834 CD1 PHE A 54 8.163 8.393 -5.573 1.00 0.00 C ATOM 835 CD2 PHE A 54 6.032 8.541 -6.632 1.00 0.00 C ATOM 836 CE1 PHE A 54 8.777 8.334 -6.810 1.00 0.00 C ATOM 837 CE2 PHE A 54 6.640 8.482 -7.872 1.00 0.00 C ATOM 838 CZ PHE A 54 8.014 8.378 -7.961 1.00 0.00 C ATOM 0 H PHE A 54 4.925 9.226 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 54 7.473 9.952 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.459 7.719 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.045 8.449 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.764 8.358 -4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.957 8.622 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.852 8.254 -6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.041 8.517 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.491 8.331 -8.929 1.00 0.00 H new ATOM 848 N PHE A 55 4.624 11.230 -4.293 1.00 0.00 N ATOM 849 CA PHE A 55 4.052 12.332 -5.058 1.00 0.00 C ATOM 850 C PHE A 55 3.967 13.596 -4.209 1.00 0.00 C ATOM 851 O PHE A 55 4.050 14.711 -4.725 1.00 0.00 O ATOM 852 CB PHE A 55 2.661 11.955 -5.573 1.00 0.00 C ATOM 853 CG PHE A 55 2.682 10.879 -6.621 1.00 0.00 C ATOM 854 CD1 PHE A 55 2.859 11.199 -7.957 1.00 0.00 C ATOM 855 CD2 PHE A 55 2.522 9.548 -6.269 1.00 0.00 C ATOM 856 CE1 PHE A 55 2.878 10.211 -8.924 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.541 8.556 -7.232 1.00 0.00 C ATOM 858 CZ PHE A 55 2.718 8.888 -8.561 1.00 0.00 C ATOM 0 H PHE A 55 3.935 10.623 -3.850 1.00 0.00 H new ATOM 0 HA PHE A 55 4.705 12.530 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.049 11.622 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.182 12.843 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.984 12.232 -8.247 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.381 9.283 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.018 10.473 -9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.418 7.522 -6.945 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.731 8.115 -9.315 1.00 0.00 H new ATOM 868 N ARG A 56 3.799 13.415 -2.903 1.00 0.00 N ATOM 869 CA ARG A 56 3.701 14.541 -1.981 1.00 0.00 C ATOM 870 C ARG A 56 2.460 15.378 -2.277 1.00 0.00 C ATOM 871 O ARG A 56 2.448 16.589 -2.055 1.00 0.00 O ATOM 872 CB ARG A 56 4.953 15.415 -2.075 1.00 0.00 C ATOM 873 CG ARG A 56 5.239 16.206 -0.809 1.00 0.00 C ATOM 874 CD ARG A 56 6.214 17.344 -1.072 1.00 0.00 C ATOM 875 NE ARG A 56 7.406 16.889 -1.782 1.00 0.00 N ATOM 876 CZ ARG A 56 8.525 17.600 -1.870 1.00 0.00 C ATOM 877 NH1 ARG A 56 8.604 18.792 -1.294 1.00 0.00 N ATOM 878 NH2 ARG A 56 9.568 17.119 -2.534 1.00 0.00 N ATOM 0 H ARG A 56 3.728 12.499 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 56 3.619 14.144 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.812 14.782 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.841 16.108 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.307 16.608 -0.411 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.650 15.542 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.718 18.119 -1.656 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.507 17.797 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 56 7.378 15.976 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.805 19.165 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.464 19.336 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.511 16.202 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.426 17.666 -2.601 1.00 0.00 H new ATOM 892 N ASP A 57 1.417 14.724 -2.778 1.00 0.00 N ATOM 893 CA ASP A 57 0.171 15.408 -3.103 1.00 0.00 C ATOM 894 C ASP A 57 -0.922 14.405 -3.458 1.00 0.00 C ATOM 895 O ASP A 57 -0.644 13.237 -3.731 1.00 0.00 O ATOM 896 CB ASP A 57 0.385 16.379 -4.265 1.00 0.00 C ATOM 897 CG ASP A 57 1.228 15.780 -5.373 1.00 0.00 C ATOM 898 OD1 ASP A 57 0.760 14.821 -6.021 1.00 0.00 O ATOM 899 OD2 ASP A 57 2.356 16.269 -5.592 1.00 0.00 O ATOM 0 H ASP A 57 1.410 13.722 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.146 15.969 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.583 16.676 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.867 17.284 -3.894 1.00 0.00 H new ATOM 904 N THR A 58 -2.169 14.868 -3.450 1.00 0.00 N ATOM 905 CA THR A 58 -3.304 14.011 -3.769 1.00 0.00 C ATOM 906 C THR A 58 -3.957 14.429 -5.081 1.00 0.00 C ATOM 907 O THR A 58 -5.173 14.610 -5.151 1.00 0.00 O ATOM 908 CB THR A 58 -4.362 14.042 -2.649 1.00 0.00 C ATOM 909 OG1 THR A 58 -4.916 15.357 -2.535 1.00 0.00 O ATOM 910 CG2 THR A 58 -3.754 13.625 -1.319 1.00 0.00 C ATOM 0 H THR A 58 -2.418 15.832 -3.226 1.00 0.00 H new ATOM 0 HA THR A 58 -2.917 12.997 -3.866 1.00 0.00 H new ATOM 0 HB THR A 58 -5.152 13.337 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.368 15.595 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.520 13.655 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.359 12.612 -1.401 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.946 14.309 -1.058 1.00 0.00 H new ATOM 918 N ASP A 59 -3.143 14.581 -6.120 1.00 0.00 N ATOM 919 CA ASP A 59 -3.642 14.976 -7.432 1.00 0.00 C ATOM 920 C ASP A 59 -3.874 13.754 -8.315 1.00 0.00 C ATOM 921 O ASP A 59 -3.720 12.617 -7.872 1.00 0.00 O ATOM 922 CB ASP A 59 -2.658 15.931 -8.109 1.00 0.00 C ATOM 923 CG ASP A 59 -3.344 16.887 -9.065 1.00 0.00 C ATOM 924 OD1 ASP A 59 -3.850 17.930 -8.600 1.00 0.00 O ATOM 925 OD2 ASP A 59 -3.377 16.591 -10.278 1.00 0.00 O ATOM 0 H ASP A 59 -2.134 14.437 -6.079 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.594 15.487 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.128 16.502 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.910 15.353 -8.652 1.00 0.00 H new ATOM 930 N ALA A 60 -4.246 13.998 -9.568 1.00 0.00 N ATOM 931 CA ALA A 60 -4.498 12.919 -10.514 1.00 0.00 C ATOM 932 C ALA A 60 -3.306 11.971 -10.595 1.00 0.00 C ATOM 933 O ALA A 60 -3.470 10.765 -10.786 1.00 0.00 O ATOM 934 CB ALA A 60 -4.818 13.486 -11.889 1.00 0.00 C ATOM 0 H ALA A 60 -4.379 14.934 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.358 12.351 -10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.004 12.668 -12.585 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.704 14.117 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.975 14.079 -12.243 1.00 0.00 H new ATOM 940 N LYS A 61 -2.106 12.522 -10.451 1.00 0.00 N ATOM 941 CA LYS A 61 -0.886 11.726 -10.507 1.00 0.00 C ATOM 942 C LYS A 61 -0.789 10.792 -9.305 1.00 0.00 C ATOM 943 O LYS A 61 -0.083 9.785 -9.345 1.00 0.00 O ATOM 944 CB LYS A 61 0.341 12.640 -10.557 1.00 0.00 C ATOM 945 CG LYS A 61 0.346 13.711 -9.480 1.00 0.00 C ATOM 946 CD LYS A 61 1.644 14.500 -9.484 1.00 0.00 C ATOM 947 CE LYS A 61 1.630 15.591 -10.544 1.00 0.00 C ATOM 948 NZ LYS A 61 3.005 16.050 -10.886 1.00 0.00 N ATOM 0 H LYS A 61 -1.952 13.518 -10.294 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.918 11.120 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.240 12.032 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.387 13.120 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.493 14.389 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.204 13.247 -8.504 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.802 14.947 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.481 13.825 -9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.138 15.218 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.043 16.437 -10.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.952 16.793 -11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.466 16.429 -10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.558 15.248 -11.251 1.00 0.00 H new ATOM 962 N TYR A 62 -1.504 11.132 -8.239 1.00 0.00 N ATOM 963 CA TYR A 62 -1.498 10.324 -7.025 1.00 0.00 C ATOM 964 C TYR A 62 -2.465 9.150 -7.147 1.00 0.00 C ATOM 965 O TYR A 62 -2.102 8.002 -6.890 1.00 0.00 O ATOM 966 CB TYR A 62 -1.871 11.182 -5.814 1.00 0.00 C ATOM 967 CG TYR A 62 -2.001 10.393 -4.531 1.00 0.00 C ATOM 968 CD1 TYR A 62 -0.875 9.950 -3.848 1.00 0.00 C ATOM 969 CD2 TYR A 62 -3.249 10.091 -4.001 1.00 0.00 C ATOM 970 CE1 TYR A 62 -0.989 9.228 -2.675 1.00 0.00 C ATOM 971 CE2 TYR A 62 -3.372 9.372 -2.828 1.00 0.00 C ATOM 972 CZ TYR A 62 -2.240 8.943 -2.169 1.00 0.00 C ATOM 973 OH TYR A 62 -2.358 8.224 -1.001 1.00 0.00 O ATOM 0 H TYR A 62 -2.095 11.962 -8.190 1.00 0.00 H new ATOM 0 HA TYR A 62 -0.491 9.930 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.115 11.955 -5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.814 11.690 -6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.106 10.174 -4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.139 10.424 -4.515 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.104 8.889 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.350 9.147 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.271 7.876 -0.922 1.00 0.00 H new ATOM 983 N LYS A 63 -3.698 9.447 -7.543 1.00 0.00 N ATOM 984 CA LYS A 63 -4.719 8.418 -7.703 1.00 0.00 C ATOM 985 C LYS A 63 -4.429 7.548 -8.922 1.00 0.00 C ATOM 986 O LYS A 63 -4.403 6.322 -8.829 1.00 0.00 O ATOM 987 CB LYS A 63 -6.102 9.059 -7.837 1.00 0.00 C ATOM 988 CG LYS A 63 -6.470 9.961 -6.672 1.00 0.00 C ATOM 989 CD LYS A 63 -7.495 11.007 -7.078 1.00 0.00 C ATOM 990 CE LYS A 63 -8.371 11.414 -5.903 1.00 0.00 C ATOM 991 NZ LYS A 63 -9.413 10.392 -5.607 1.00 0.00 N ATOM 0 H LYS A 63 -4.015 10.392 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.703 7.785 -6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.137 9.639 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.851 8.272 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.868 9.358 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.574 10.455 -6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.984 11.885 -7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.120 10.614 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.749 11.564 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.850 12.368 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.041 10.744 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.970 10.205 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.957 9.512 -5.292 1.00 0.00 H new ATOM 1005 N ASN A 64 -4.211 8.193 -10.064 1.00 0.00 N ATOM 1006 CA ASN A 64 -3.923 7.477 -11.302 1.00 0.00 C ATOM 1007 C ASN A 64 -3.025 6.272 -11.037 1.00 0.00 C ATOM 1008 O ASN A 64 -3.233 5.195 -11.595 1.00 0.00 O ATOM 1009 CB ASN A 64 -3.255 8.413 -12.312 1.00 0.00 C ATOM 1010 CG ASN A 64 -3.075 7.763 -13.670 1.00 0.00 C ATOM 1011 OD1 ASN A 64 -2.173 6.949 -13.868 1.00 0.00 O ATOM 1012 ND2 ASN A 64 -3.937 8.121 -14.615 1.00 0.00 N ATOM 0 H ASN A 64 -4.228 9.209 -10.158 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.867 7.120 -11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.857 9.315 -12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.283 8.723 -11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.867 7.717 -15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.669 8.800 -14.407 1.00 0.00 H new ATOM 1019 N LYS A 65 -2.027 6.462 -10.181 1.00 0.00 N ATOM 1020 CA LYS A 65 -1.098 5.391 -9.839 1.00 0.00 C ATOM 1021 C LYS A 65 -1.768 4.355 -8.942 1.00 0.00 C ATOM 1022 O LYS A 65 -1.608 3.151 -9.142 1.00 0.00 O ATOM 1023 CB LYS A 65 0.137 5.964 -9.140 1.00 0.00 C ATOM 1024 CG LYS A 65 1.024 4.905 -8.507 1.00 0.00 C ATOM 1025 CD LYS A 65 1.617 3.976 -9.554 1.00 0.00 C ATOM 1026 CE LYS A 65 2.909 4.537 -10.128 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.567 3.575 -11.056 1.00 0.00 N ATOM 0 H LYS A 65 -1.840 7.348 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.791 4.901 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.723 6.532 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.184 6.665 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.827 5.387 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.444 4.324 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.809 3.000 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.896 3.824 -10.357 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.698 5.466 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.592 4.782 -9.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.391 3.148 -10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.892 2.829 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.879 4.076 -11.912 1.00 0.00 H new ATOM 1041 N TYR A 66 -2.519 4.831 -7.955 1.00 0.00 N ATOM 1042 CA TYR A 66 -3.212 3.945 -7.028 1.00 0.00 C ATOM 1043 C TYR A 66 -4.068 2.930 -7.780 1.00 0.00 C ATOM 1044 O TYR A 66 -3.961 1.724 -7.557 1.00 0.00 O ATOM 1045 CB TYR A 66 -4.087 4.757 -6.072 1.00 0.00 C ATOM 1046 CG TYR A 66 -5.302 4.006 -5.576 1.00 0.00 C ATOM 1047 CD1 TYR A 66 -5.167 2.855 -4.810 1.00 0.00 C ATOM 1048 CD2 TYR A 66 -6.586 4.447 -5.876 1.00 0.00 C ATOM 1049 CE1 TYR A 66 -6.274 2.165 -4.356 1.00 0.00 C ATOM 1050 CE2 TYR A 66 -7.698 3.764 -5.425 1.00 0.00 C ATOM 1051 CZ TYR A 66 -7.538 2.624 -4.665 1.00 0.00 C ATOM 1052 OH TYR A 66 -8.644 1.940 -4.215 1.00 0.00 O ATOM 0 H TYR A 66 -2.663 5.825 -7.777 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.461 3.404 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.486 5.065 -5.216 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.413 5.667 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.179 2.493 -4.565 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.716 5.339 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.151 1.271 -3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.688 4.121 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.457 2.396 -4.519 1.00 0.00 H new ATOM 1062 N ARG A 67 -4.917 3.429 -8.673 1.00 0.00 N ATOM 1063 CA ARG A 67 -5.793 2.567 -9.458 1.00 0.00 C ATOM 1064 C ARG A 67 -4.981 1.667 -10.385 1.00 0.00 C ATOM 1065 O ARG A 67 -5.348 0.517 -10.628 1.00 0.00 O ATOM 1066 CB ARG A 67 -6.771 3.410 -10.278 1.00 0.00 C ATOM 1067 CG ARG A 67 -6.117 4.154 -11.431 1.00 0.00 C ATOM 1068 CD ARG A 67 -7.148 4.873 -12.287 1.00 0.00 C ATOM 1069 NE ARG A 67 -8.244 3.992 -12.679 1.00 0.00 N ATOM 1070 CZ ARG A 67 -9.319 3.777 -11.929 1.00 0.00 C ATOM 1071 NH1 ARG A 67 -9.441 4.376 -10.753 1.00 0.00 N ATOM 1072 NH2 ARG A 67 -10.275 2.961 -12.355 1.00 0.00 N ATOM 0 H ARG A 67 -5.017 4.425 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.355 1.937 -8.768 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.554 2.762 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.256 4.131 -9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.400 4.876 -11.040 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.557 3.451 -12.048 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.547 5.724 -11.735 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.665 5.270 -13.180 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.181 3.515 -13.578 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.708 5.004 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.268 4.209 -10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.185 2.498 -13.259 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.100 2.797 -11.778 1.00 0.00 H new ATOM 1086 N SER A 68 -3.875 2.197 -10.898 1.00 0.00 N ATOM 1087 CA SER A 68 -3.013 1.443 -11.801 1.00 0.00 C ATOM 1088 C SER A 68 -2.371 0.263 -11.079 1.00 0.00 C ATOM 1089 O SER A 68 -2.196 -0.812 -11.654 1.00 0.00 O ATOM 1090 CB SER A 68 -1.929 2.352 -12.382 1.00 0.00 C ATOM 1091 OG SER A 68 -1.514 1.899 -13.659 1.00 0.00 O ATOM 0 H SER A 68 -3.555 3.146 -10.704 1.00 0.00 H new ATOM 0 HA SER A 68 -3.628 1.058 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.308 3.371 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.074 2.380 -11.707 1.00 0.00 H new ATOM 0 HG SER A 68 -0.822 2.498 -14.010 1.00 0.00 H new ATOM 1097 N LEU A 69 -2.020 0.471 -9.815 1.00 0.00 N ATOM 1098 CA LEU A 69 -1.396 -0.575 -9.012 1.00 0.00 C ATOM 1099 C LEU A 69 -2.443 -1.540 -8.466 1.00 0.00 C ATOM 1100 O LEU A 69 -2.222 -2.750 -8.418 1.00 0.00 O ATOM 1101 CB LEU A 69 -0.605 0.044 -7.858 1.00 0.00 C ATOM 1102 CG LEU A 69 0.629 0.858 -8.250 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.406 1.279 -7.012 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.516 0.060 -9.194 1.00 0.00 C ATOM 0 H LEU A 69 -2.157 1.354 -9.324 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.714 -1.133 -9.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.275 0.689 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.290 -0.757 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 69 0.298 1.758 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.281 1.857 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.768 1.889 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.727 0.393 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.389 0.655 -9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.839 -0.857 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.956 -0.190 -10.095 1.00 0.00 H new ATOM 1116 N MET A 70 -3.585 -0.997 -8.056 1.00 0.00 N ATOM 1117 CA MET A 70 -4.668 -1.810 -7.517 1.00 0.00 C ATOM 1118 C MET A 70 -5.443 -2.497 -8.638 1.00 0.00 C ATOM 1119 O MET A 70 -6.228 -3.412 -8.393 1.00 0.00 O ATOM 1120 CB MET A 70 -5.615 -0.948 -6.681 1.00 0.00 C ATOM 1121 CG MET A 70 -6.756 -0.344 -7.484 1.00 0.00 C ATOM 1122 SD MET A 70 -8.211 -1.408 -7.530 1.00 0.00 S ATOM 1123 CE MET A 70 -8.758 -1.308 -5.828 1.00 0.00 C ATOM 0 H MET A 70 -3.784 0.003 -8.087 1.00 0.00 H new ATOM 0 HA MET A 70 -4.229 -2.577 -6.879 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.030 -1.554 -5.876 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.045 -0.145 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.028 0.619 -7.053 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.418 -0.153 -8.502 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.673 -1.888 -5.705 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.984 -1.708 -5.173 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.950 -0.267 -5.568 1.00 0.00 H new ATOM 1133 N PHE A 71 -5.216 -2.048 -9.868 1.00 0.00 N ATOM 1134 CA PHE A 71 -5.894 -2.618 -11.026 1.00 0.00 C ATOM 1135 C PHE A 71 -5.336 -3.999 -11.358 1.00 0.00 C ATOM 1136 O PHE A 71 -6.088 -4.934 -11.634 1.00 0.00 O ATOM 1137 CB PHE A 71 -5.747 -1.693 -12.236 1.00 0.00 C ATOM 1138 CG PHE A 71 -6.111 -2.347 -13.539 1.00 0.00 C ATOM 1139 CD1 PHE A 71 -5.183 -3.110 -14.229 1.00 0.00 C ATOM 1140 CD2 PHE A 71 -7.381 -2.199 -14.073 1.00 0.00 C ATOM 1141 CE1 PHE A 71 -5.514 -3.712 -15.428 1.00 0.00 C ATOM 1142 CE2 PHE A 71 -7.718 -2.799 -15.271 1.00 0.00 C ATOM 1143 CZ PHE A 71 -6.784 -3.558 -15.949 1.00 0.00 C ATOM 0 H PHE A 71 -4.568 -1.292 -10.088 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.951 -2.721 -10.782 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.377 -0.815 -12.091 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.717 -1.341 -12.291 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.189 -3.236 -13.825 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.116 -1.608 -13.547 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.781 -4.302 -15.957 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.711 -2.675 -15.677 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.046 -4.030 -16.884 1.00 0.00 H new ATOM 1153 N ASN A 72 -4.013 -4.119 -11.328 1.00 0.00 N ATOM 1154 CA ASN A 72 -3.354 -5.385 -11.626 1.00 0.00 C ATOM 1155 C ASN A 72 -3.631 -6.414 -10.534 1.00 0.00 C ATOM 1156 O ASN A 72 -3.499 -7.619 -10.753 1.00 0.00 O ATOM 1157 CB ASN A 72 -1.845 -5.176 -11.774 1.00 0.00 C ATOM 1158 CG ASN A 72 -1.470 -4.612 -13.131 1.00 0.00 C ATOM 1159 OD1 ASN A 72 -1.218 -5.357 -14.077 1.00 0.00 O ATOM 1160 ND2 ASN A 72 -1.430 -3.288 -13.230 1.00 0.00 N ATOM 0 H ASN A 72 -3.376 -3.355 -11.100 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.756 -5.762 -12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.496 -4.500 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.333 -6.126 -11.624 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.183 -2.850 -14.117 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.647 -2.709 -12.419 1.00 0.00 H new ATOM 1167 N LEU A 73 -4.017 -5.930 -9.359 1.00 0.00 N ATOM 1168 CA LEU A 73 -4.315 -6.807 -8.231 1.00 0.00 C ATOM 1169 C LEU A 73 -5.608 -7.579 -8.469 1.00 0.00 C ATOM 1170 O LEU A 73 -5.667 -8.792 -8.264 1.00 0.00 O ATOM 1171 CB LEU A 73 -4.423 -5.992 -6.941 1.00 0.00 C ATOM 1172 CG LEU A 73 -3.107 -5.475 -6.361 1.00 0.00 C ATOM 1173 CD1 LEU A 73 -3.366 -4.606 -5.140 1.00 0.00 C ATOM 1174 CD2 LEU A 73 -2.188 -6.636 -6.006 1.00 0.00 C ATOM 0 H LEU A 73 -4.131 -4.936 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.499 -7.523 -8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.075 -5.138 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.912 -6.607 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.614 -4.865 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.417 -4.247 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.985 -3.755 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.881 -5.192 -4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.256 -6.249 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.675 -7.272 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.975 -7.219 -6.902 1.00 0.00 H new ATOM 1186 N LYS A 74 -6.644 -6.870 -8.904 1.00 0.00 N ATOM 1187 CA LYS A 74 -7.937 -7.488 -9.174 1.00 0.00 C ATOM 1188 C LYS A 74 -7.890 -8.307 -10.460 1.00 0.00 C ATOM 1189 O LYS A 74 -8.609 -9.296 -10.603 1.00 0.00 O ATOM 1190 CB LYS A 74 -9.025 -6.417 -9.277 1.00 0.00 C ATOM 1191 CG LYS A 74 -9.069 -5.723 -10.627 1.00 0.00 C ATOM 1192 CD LYS A 74 -10.246 -4.767 -10.725 1.00 0.00 C ATOM 1193 CE LYS A 74 -9.973 -3.645 -11.715 1.00 0.00 C ATOM 1194 NZ LYS A 74 -10.338 -4.032 -13.106 1.00 0.00 N ATOM 0 H LYS A 74 -6.613 -5.865 -9.077 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.172 -8.157 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.994 -6.876 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.863 -5.671 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.140 -5.175 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.138 -6.469 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.137 -5.315 -11.032 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.455 -4.344 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.538 -2.759 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.917 -3.377 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.613 -3.684 -13.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.399 -5.068 -13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.258 -3.615 -13.352 1.00 0.00 H new ATOM 1208 N ASP A 75 -7.040 -7.890 -11.391 1.00 0.00 N ATOM 1209 CA ASP A 75 -6.898 -8.587 -12.664 1.00 0.00 C ATOM 1210 C ASP A 75 -6.742 -10.089 -12.447 1.00 0.00 C ATOM 1211 O ASP A 75 -5.922 -10.543 -11.649 1.00 0.00 O ATOM 1212 CB ASP A 75 -5.696 -8.042 -13.437 1.00 0.00 C ATOM 1213 CG ASP A 75 -6.067 -6.890 -14.349 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.966 -6.106 -13.979 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -5.458 -6.771 -15.432 1.00 0.00 O ATOM 0 H ASP A 75 -6.439 -7.073 -11.288 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.803 -8.415 -13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.934 -7.712 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.256 -8.844 -14.030 1.00 0.00 H new ATOM 1220 N PRO A 76 -7.547 -10.879 -13.173 1.00 0.00 N ATOM 1221 CA PRO A 76 -7.517 -12.341 -13.077 1.00 0.00 C ATOM 1222 C PRO A 76 -6.241 -12.935 -13.665 1.00 0.00 C ATOM 1223 O PRO A 76 -5.774 -13.987 -13.227 1.00 0.00 O ATOM 1224 CB PRO A 76 -8.735 -12.775 -13.896 1.00 0.00 C ATOM 1225 CG PRO A 76 -8.960 -11.662 -14.860 1.00 0.00 C ATOM 1226 CD PRO A 76 -8.547 -10.405 -14.144 1.00 0.00 C ATOM 0 HA PRO A 76 -7.538 -12.682 -12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.549 -13.716 -14.414 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.606 -12.929 -13.259 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -8.372 -11.806 -15.767 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.006 -11.613 -15.163 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.124 -9.672 -14.831 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.393 -9.928 -13.649 1.00 0.00 H new ATOM 1234 N LYS A 77 -5.681 -12.254 -14.659 1.00 0.00 N ATOM 1235 CA LYS A 77 -4.457 -12.713 -15.306 1.00 0.00 C ATOM 1236 C LYS A 77 -3.245 -12.472 -14.412 1.00 0.00 C ATOM 1237 O LYS A 77 -2.150 -12.957 -14.691 1.00 0.00 O ATOM 1238 CB LYS A 77 -4.266 -11.998 -16.646 1.00 0.00 C ATOM 1239 CG LYS A 77 -4.189 -10.486 -16.523 1.00 0.00 C ATOM 1240 CD LYS A 77 -2.759 -10.015 -16.322 1.00 0.00 C ATOM 1241 CE LYS A 77 -2.711 -8.605 -15.752 1.00 0.00 C ATOM 1242 NZ LYS A 77 -2.749 -7.572 -16.824 1.00 0.00 N ATOM 0 H LYS A 77 -6.055 -11.382 -15.034 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.549 -13.785 -15.482 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.353 -12.363 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.092 -12.259 -17.308 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.602 -10.026 -17.421 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.803 -10.157 -15.685 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.241 -10.698 -15.649 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.229 -10.042 -17.274 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.553 -8.458 -15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.803 -8.483 -15.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.905 -6.969 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.767 -8.037 -17.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.602 -6.987 -16.713 1.00 0.00 H new ATOM 1256 N ASN A 78 -3.450 -11.720 -13.335 1.00 0.00 N ATOM 1257 CA ASN A 78 -2.374 -11.416 -12.399 1.00 0.00 C ATOM 1258 C ASN A 78 -2.756 -11.824 -10.979 1.00 0.00 C ATOM 1259 O ASN A 78 -3.369 -11.051 -10.245 1.00 0.00 O ATOM 1260 CB ASN A 78 -2.040 -9.924 -12.441 1.00 0.00 C ATOM 1261 CG ASN A 78 -0.611 -9.639 -12.021 1.00 0.00 C ATOM 1262 OD1 ASN A 78 -0.019 -10.388 -11.245 1.00 0.00 O ATOM 1263 ND2 ASN A 78 -0.050 -8.550 -12.535 1.00 0.00 N ATOM 0 H ASN A 78 -4.351 -11.310 -13.089 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.495 -11.987 -12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.201 -9.547 -13.451 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.723 -9.383 -11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.910 -8.306 -12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.579 -7.958 -13.175 1.00 0.00 H new ATOM 1270 N ASN A 79 -2.389 -13.044 -10.601 1.00 0.00 N ATOM 1271 CA ASN A 79 -2.693 -13.555 -9.269 1.00 0.00 C ATOM 1272 C ASN A 79 -1.421 -13.701 -8.439 1.00 0.00 C ATOM 1273 O ASN A 79 -1.462 -14.164 -7.299 1.00 0.00 O ATOM 1274 CB ASN A 79 -3.409 -14.903 -9.369 1.00 0.00 C ATOM 1275 CG ASN A 79 -2.955 -15.711 -10.569 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -3.625 -15.738 -11.602 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -1.813 -16.375 -10.438 1.00 0.00 N ATOM 0 H ASN A 79 -1.881 -13.697 -11.198 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.348 -12.839 -8.773 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.228 -15.476 -8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.484 -14.736 -9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.458 -16.936 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.291 -16.324 -9.563 1.00 0.00 H new ATOM 1284 N ILE A 80 -0.293 -13.304 -9.019 1.00 0.00 N ATOM 1285 CA ILE A 80 0.990 -13.390 -8.333 1.00 0.00 C ATOM 1286 C ILE A 80 1.341 -12.068 -7.658 1.00 0.00 C ATOM 1287 O ILE A 80 1.961 -12.048 -6.594 1.00 0.00 O ATOM 1288 CB ILE A 80 2.122 -13.775 -9.303 1.00 0.00 C ATOM 1289 CG1 ILE A 80 1.808 -15.109 -9.984 1.00 0.00 C ATOM 1290 CG2 ILE A 80 3.449 -13.852 -8.563 1.00 0.00 C ATOM 1291 CD1 ILE A 80 2.881 -15.563 -10.948 1.00 0.00 C ATOM 0 H ILE A 80 -0.242 -12.920 -9.962 1.00 0.00 H new ATOM 0 HA ILE A 80 0.892 -14.168 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 80 2.200 -13.006 -10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.670 -15.874 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.863 -15.020 -10.520 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.240 -14.125 -9.262 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.675 -12.882 -8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.384 -14.604 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.591 -16.515 -11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.003 -14.817 -11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.823 -15.684 -10.413 1.00 0.00 H new ATOM 1303 N LEU A 81 0.941 -10.966 -8.283 1.00 0.00 N ATOM 1304 CA LEU A 81 1.212 -9.639 -7.742 1.00 0.00 C ATOM 1305 C LEU A 81 0.632 -9.494 -6.339 1.00 0.00 C ATOM 1306 O LEU A 81 1.359 -9.238 -5.379 1.00 0.00 O ATOM 1307 CB LEU A 81 0.629 -8.564 -8.661 1.00 0.00 C ATOM 1308 CG LEU A 81 1.316 -7.199 -8.617 1.00 0.00 C ATOM 1309 CD1 LEU A 81 2.662 -7.255 -9.323 1.00 0.00 C ATOM 1310 CD2 LEU A 81 0.428 -6.134 -9.243 1.00 0.00 C ATOM 0 H LEU A 81 0.428 -10.965 -9.165 1.00 0.00 H new ATOM 0 HA LEU A 81 2.293 -9.511 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.664 -8.933 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.422 -8.428 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 81 1.487 -6.934 -7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.136 -6.274 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.301 -7.988 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.515 -7.543 -10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.933 -5.169 -9.203 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.225 -6.394 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.512 -6.075 -8.694 1.00 0.00 H new ATOM 1322 N PHE A 82 -0.682 -9.661 -6.227 1.00 0.00 N ATOM 1323 CA PHE A 82 -1.360 -9.550 -4.941 1.00 0.00 C ATOM 1324 C PHE A 82 -0.647 -10.380 -3.877 1.00 0.00 C ATOM 1325 O PHE A 82 -0.595 -9.999 -2.707 1.00 0.00 O ATOM 1326 CB PHE A 82 -2.815 -10.004 -5.067 1.00 0.00 C ATOM 1327 CG PHE A 82 -3.011 -11.470 -4.807 1.00 0.00 C ATOM 1328 CD1 PHE A 82 -2.994 -11.967 -3.513 1.00 0.00 C ATOM 1329 CD2 PHE A 82 -3.211 -12.353 -5.856 1.00 0.00 C ATOM 1330 CE1 PHE A 82 -3.174 -13.315 -3.271 1.00 0.00 C ATOM 1331 CE2 PHE A 82 -3.392 -13.702 -5.620 1.00 0.00 C ATOM 1332 CZ PHE A 82 -3.372 -14.184 -4.326 1.00 0.00 C ATOM 0 H PHE A 82 -1.298 -9.874 -7.012 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.338 -8.504 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.427 -9.434 -4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.175 -9.770 -6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.838 -11.292 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.226 -11.982 -6.870 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.160 -13.689 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.549 -14.379 -6.447 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.511 -15.239 -4.139 1.00 0.00 H new ATOM 1342 N LYS A 83 -0.099 -11.517 -4.291 1.00 0.00 N ATOM 1343 CA LYS A 83 0.612 -12.402 -3.376 1.00 0.00 C ATOM 1344 C LYS A 83 1.970 -11.818 -2.999 1.00 0.00 C ATOM 1345 O LYS A 83 2.190 -11.420 -1.855 1.00 0.00 O ATOM 1346 CB LYS A 83 0.797 -13.783 -4.009 1.00 0.00 C ATOM 1347 CG LYS A 83 -0.428 -14.673 -3.896 1.00 0.00 C ATOM 1348 CD LYS A 83 -0.046 -16.143 -3.833 1.00 0.00 C ATOM 1349 CE LYS A 83 -1.273 -17.040 -3.883 1.00 0.00 C ATOM 1350 NZ LYS A 83 -0.947 -18.397 -4.405 1.00 0.00 N ATOM 0 H LYS A 83 -0.134 -11.848 -5.255 1.00 0.00 H new ATOM 0 HA LYS A 83 0.015 -12.502 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.050 -13.660 -5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.642 -14.281 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.993 -14.404 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.083 -14.503 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.616 -16.384 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.510 -16.337 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.700 -17.128 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.033 -16.581 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.809 -18.978 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.564 -18.316 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.240 -18.846 -3.788 1.00 0.00 H new ATOM 1364 N LYS A 84 2.877 -11.768 -3.968 1.00 0.00 N ATOM 1365 CA LYS A 84 4.213 -11.231 -3.740 1.00 0.00 C ATOM 1366 C LYS A 84 4.173 -10.083 -2.735 1.00 0.00 C ATOM 1367 O LYS A 84 5.048 -9.965 -1.878 1.00 0.00 O ATOM 1368 CB LYS A 84 4.823 -10.748 -5.058 1.00 0.00 C ATOM 1369 CG LYS A 84 5.179 -11.874 -6.012 1.00 0.00 C ATOM 1370 CD LYS A 84 5.636 -11.340 -7.359 1.00 0.00 C ATOM 1371 CE LYS A 84 4.528 -10.570 -8.059 1.00 0.00 C ATOM 1372 NZ LYS A 84 4.745 -10.499 -9.531 1.00 0.00 N ATOM 0 H LYS A 84 2.711 -12.093 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 84 4.833 -12.028 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.120 -10.076 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.721 -10.168 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.968 -12.486 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.313 -12.522 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.500 -10.690 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.959 -12.169 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.570 -11.048 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.474 -9.561 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.968 -9.966 -9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.647 -10.020 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.771 -11.461 -9.925 1.00 0.00 H new ATOM 1386 N VAL A 85 3.151 -9.241 -2.846 1.00 0.00 N ATOM 1387 CA VAL A 85 2.995 -8.104 -1.946 1.00 0.00 C ATOM 1388 C VAL A 85 2.715 -8.567 -0.521 1.00 0.00 C ATOM 1389 O VAL A 85 3.402 -8.167 0.420 1.00 0.00 O ATOM 1390 CB VAL A 85 1.856 -7.176 -2.406 1.00 0.00 C ATOM 1391 CG1 VAL A 85 1.623 -6.071 -1.386 1.00 0.00 C ATOM 1392 CG2 VAL A 85 2.166 -6.591 -3.776 1.00 0.00 C ATOM 0 H VAL A 85 2.418 -9.325 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 85 3.934 -7.551 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 85 0.941 -7.764 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.814 -5.425 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.354 -6.512 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.534 -5.483 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.350 -5.938 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.091 -6.017 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.279 -7.399 -4.499 1.00 0.00 H new ATOM 1402 N LEU A 86 1.702 -9.412 -0.367 1.00 0.00 N ATOM 1403 CA LEU A 86 1.329 -9.931 0.944 1.00 0.00 C ATOM 1404 C LEU A 86 2.478 -10.721 1.563 1.00 0.00 C ATOM 1405 O LEU A 86 2.881 -10.466 2.698 1.00 0.00 O ATOM 1406 CB LEU A 86 0.088 -10.817 0.831 1.00 0.00 C ATOM 1407 CG LEU A 86 -1.259 -10.108 0.972 1.00 0.00 C ATOM 1408 CD1 LEU A 86 -1.425 -9.056 -0.114 1.00 0.00 C ATOM 1409 CD2 LEU A 86 -2.400 -11.113 0.921 1.00 0.00 C ATOM 0 H LEU A 86 1.123 -9.753 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 86 1.104 -9.084 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.112 -11.319 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.149 -11.592 1.595 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.284 -9.609 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.390 -8.562 0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.627 -8.318 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.378 -9.533 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.351 -10.590 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.377 -11.641 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.291 -11.829 1.736 1.00 0.00 H new ATOM 1421 N LYS A 87 3.003 -11.681 0.809 1.00 0.00 N ATOM 1422 CA LYS A 87 4.108 -12.507 1.280 1.00 0.00 C ATOM 1423 C LYS A 87 5.308 -11.645 1.661 1.00 0.00 C ATOM 1424 O LYS A 87 6.026 -11.950 2.613 1.00 0.00 O ATOM 1425 CB LYS A 87 4.513 -13.516 0.203 1.00 0.00 C ATOM 1426 CG LYS A 87 5.079 -14.809 0.764 1.00 0.00 C ATOM 1427 CD LYS A 87 4.035 -15.576 1.559 1.00 0.00 C ATOM 1428 CE LYS A 87 4.275 -17.077 1.491 1.00 0.00 C ATOM 1429 NZ LYS A 87 3.824 -17.653 0.194 1.00 0.00 N ATOM 0 H LYS A 87 2.680 -11.906 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 87 3.774 -13.046 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.643 -13.747 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.255 -13.058 -0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.446 -15.431 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.933 -14.586 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.056 -15.250 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.042 -15.347 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.337 -17.282 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.747 -17.567 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.942 -18.686 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.822 -17.422 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.393 -17.254 -0.580 1.00 0.00 H new ATOM 1443 N GLY A 88 5.518 -10.567 0.912 1.00 0.00 N ATOM 1444 CA GLY A 88 6.631 -9.678 1.189 1.00 0.00 C ATOM 1445 C GLY A 88 7.515 -9.461 -0.023 1.00 0.00 C ATOM 1446 O GLY A 88 8.140 -8.410 -0.164 1.00 0.00 O ATOM 0 H GLY A 88 4.938 -10.294 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.248 -8.717 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.229 -10.091 2.001 1.00 0.00 H new ATOM 1450 N GLU A 89 7.569 -10.459 -0.901 1.00 0.00 N ATOM 1451 CA GLU A 89 8.385 -10.372 -2.106 1.00 0.00 C ATOM 1452 C GLU A 89 8.404 -8.946 -2.649 1.00 0.00 C ATOM 1453 O GLU A 89 9.451 -8.434 -3.044 1.00 0.00 O ATOM 1454 CB GLU A 89 7.858 -11.331 -3.175 1.00 0.00 C ATOM 1455 CG GLU A 89 8.241 -12.781 -2.935 1.00 0.00 C ATOM 1456 CD GLU A 89 9.714 -13.045 -3.183 1.00 0.00 C ATOM 1457 OE1 GLU A 89 10.095 -13.226 -4.358 1.00 0.00 O ATOM 1458 OE2 GLU A 89 10.485 -13.069 -2.201 1.00 0.00 O ATOM 0 H GLU A 89 7.058 -11.336 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 89 9.405 -10.655 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.772 -11.253 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.237 -11.020 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.995 -13.053 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.646 -13.422 -3.586 1.00 0.00 H new ATOM 1465 N VAL A 90 7.236 -8.311 -2.667 1.00 0.00 N ATOM 1466 CA VAL A 90 7.117 -6.944 -3.161 1.00 0.00 C ATOM 1467 C VAL A 90 6.656 -5.999 -2.058 1.00 0.00 C ATOM 1468 O VAL A 90 5.521 -6.082 -1.587 1.00 0.00 O ATOM 1469 CB VAL A 90 6.131 -6.858 -4.341 1.00 0.00 C ATOM 1470 CG1 VAL A 90 5.693 -5.419 -4.567 1.00 0.00 C ATOM 1471 CG2 VAL A 90 6.756 -7.438 -5.601 1.00 0.00 C ATOM 0 H VAL A 90 6.359 -8.721 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 90 8.108 -6.643 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 90 5.247 -7.448 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.997 -5.378 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.203 -5.042 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.565 -4.804 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.045 -7.369 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.657 -6.878 -5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.014 -8.483 -5.431 1.00 0.00 H new ATOM 1481 N THR A 91 7.545 -5.099 -1.647 1.00 0.00 N ATOM 1482 CA THR A 91 7.230 -4.138 -0.598 1.00 0.00 C ATOM 1483 C THR A 91 6.185 -3.132 -1.069 1.00 0.00 C ATOM 1484 O THR A 91 6.095 -2.802 -2.252 1.00 0.00 O ATOM 1485 CB THR A 91 8.488 -3.376 -0.138 1.00 0.00 C ATOM 1486 OG1 THR A 91 9.322 -3.083 -1.265 1.00 0.00 O ATOM 1487 CG2 THR A 91 9.270 -4.190 0.881 1.00 0.00 C ATOM 0 H THR A 91 8.489 -5.016 -2.025 1.00 0.00 H new ATOM 0 HA THR A 91 6.831 -4.707 0.242 1.00 0.00 H new ATOM 0 HB THR A 91 8.172 -2.444 0.331 1.00 0.00 H new ATOM 0 HG1 THR A 91 10.186 -2.743 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.154 -3.632 1.191 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.641 -4.386 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.576 -5.136 0.434 1.00 0.00 H new ATOM 1495 N PRO A 92 5.375 -2.632 -0.124 1.00 0.00 N ATOM 1496 CA PRO A 92 4.322 -1.656 -0.419 1.00 0.00 C ATOM 1497 C PRO A 92 4.887 -0.291 -0.796 1.00 0.00 C ATOM 1498 O PRO A 92 4.172 0.565 -1.317 1.00 0.00 O ATOM 1499 CB PRO A 92 3.542 -1.568 0.895 1.00 0.00 C ATOM 1500 CG PRO A 92 4.522 -1.963 1.945 1.00 0.00 C ATOM 1501 CD PRO A 92 5.426 -2.982 1.306 1.00 0.00 C ATOM 0 HA PRO A 92 3.714 -1.957 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.165 -0.559 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.679 -2.234 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.091 -1.100 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.015 -2.382 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.441 -2.922 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.075 -3.999 1.484 1.00 0.00 H new ATOM 1509 N ASP A 93 6.174 -0.094 -0.530 1.00 0.00 N ATOM 1510 CA ASP A 93 6.835 1.168 -0.842 1.00 0.00 C ATOM 1511 C ASP A 93 7.645 1.052 -2.130 1.00 0.00 C ATOM 1512 O ASP A 93 8.220 2.032 -2.604 1.00 0.00 O ATOM 1513 CB ASP A 93 7.745 1.591 0.311 1.00 0.00 C ATOM 1514 CG ASP A 93 8.489 0.419 0.922 1.00 0.00 C ATOM 1515 OD1 ASP A 93 7.822 -0.502 1.438 1.00 0.00 O ATOM 1516 OD2 ASP A 93 9.737 0.423 0.884 1.00 0.00 O ATOM 0 H ASP A 93 6.780 -0.792 -0.099 1.00 0.00 H new ATOM 0 HA ASP A 93 6.066 1.927 -0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.464 2.326 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.148 2.080 1.081 1.00 0.00 H new ATOM 1521 N HIS A 94 7.687 -0.152 -2.690 1.00 0.00 N ATOM 1522 CA HIS A 94 8.427 -0.396 -3.923 1.00 0.00 C ATOM 1523 C HIS A 94 7.475 -0.670 -5.084 1.00 0.00 C ATOM 1524 O HIS A 94 7.767 -0.335 -6.232 1.00 0.00 O ATOM 1525 CB HIS A 94 9.383 -1.576 -3.744 1.00 0.00 C ATOM 1526 CG HIS A 94 10.464 -1.633 -4.779 1.00 0.00 C ATOM 1527 ND1 HIS A 94 11.548 -0.781 -4.784 1.00 0.00 N ATOM 1528 CD2 HIS A 94 10.625 -2.450 -5.847 1.00 0.00 C ATOM 1529 CE1 HIS A 94 12.328 -1.069 -5.811 1.00 0.00 C ATOM 1530 NE2 HIS A 94 11.790 -2.079 -6.472 1.00 0.00 N ATOM 0 H HIS A 94 7.218 -0.974 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 94 9.005 0.499 -4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.840 -1.516 -2.756 1.00 0.00 H new ATOM 0 HB3 HIS A 94 8.812 -2.504 -3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.961 -3.245 -6.151 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.248 -0.565 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.177 -2.512 -7.310 1.00 0.00 H new ATOM 1539 N LEU A 95 6.337 -1.282 -4.776 1.00 0.00 N ATOM 1540 CA LEU A 95 5.341 -1.602 -5.794 1.00 0.00 C ATOM 1541 C LEU A 95 5.005 -0.373 -6.632 1.00 0.00 C ATOM 1542 O LEU A 95 4.571 -0.491 -7.778 1.00 0.00 O ATOM 1543 CB LEU A 95 4.072 -2.150 -5.139 1.00 0.00 C ATOM 1544 CG LEU A 95 2.852 -2.285 -6.050 1.00 0.00 C ATOM 1545 CD1 LEU A 95 2.997 -3.494 -6.962 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.578 -2.388 -5.224 1.00 0.00 C ATOM 0 H LEU A 95 6.081 -1.567 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 95 5.761 -2.363 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.298 -3.130 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.808 -1.500 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 95 2.787 -1.392 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.119 -3.574 -7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.888 -3.379 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.088 -4.397 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.720 -2.483 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.634 -3.263 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.466 -1.492 -4.614 1.00 0.00 H new ATOM 1558 N ILE A 96 5.209 0.806 -6.053 1.00 0.00 N ATOM 1559 CA ILE A 96 4.930 2.056 -6.748 1.00 0.00 C ATOM 1560 C ILE A 96 6.064 2.420 -7.701 1.00 0.00 C ATOM 1561 O ILE A 96 5.826 2.849 -8.830 1.00 0.00 O ATOM 1562 CB ILE A 96 4.716 3.215 -5.757 1.00 0.00 C ATOM 1563 CG1 ILE A 96 3.777 2.783 -4.628 1.00 0.00 C ATOM 1564 CG2 ILE A 96 4.159 4.433 -6.479 1.00 0.00 C ATOM 1565 CD1 ILE A 96 3.762 3.739 -3.456 1.00 0.00 C ATOM 0 H ILE A 96 5.566 0.921 -5.105 1.00 0.00 H new ATOM 0 HA ILE A 96 4.014 1.902 -7.319 1.00 0.00 H new ATOM 0 HB ILE A 96 5.678 3.483 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.766 2.690 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.075 1.795 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.013 5.244 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.860 4.751 -7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.204 4.178 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 96 3.075 3.370 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 96 4.765 3.814 -3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.435 4.723 -3.793 1.00 0.00 H new ATOM 1577 N ARG A 97 7.298 2.244 -7.239 1.00 0.00 N ATOM 1578 CA ARG A 97 8.469 2.553 -8.050 1.00 0.00 C ATOM 1579 C ARG A 97 8.563 1.615 -9.249 1.00 0.00 C ATOM 1580 O ARG A 97 9.247 1.909 -10.228 1.00 0.00 O ATOM 1581 CB ARG A 97 9.741 2.451 -7.207 1.00 0.00 C ATOM 1582 CG ARG A 97 9.877 3.556 -6.172 1.00 0.00 C ATOM 1583 CD ARG A 97 11.138 3.386 -5.339 1.00 0.00 C ATOM 1584 NE ARG A 97 11.107 4.200 -4.127 1.00 0.00 N ATOM 1585 CZ ARG A 97 12.192 4.539 -3.441 1.00 0.00 C ATOM 1586 NH1 ARG A 97 13.389 4.136 -3.845 1.00 0.00 N ATOM 1587 NH2 ARG A 97 12.082 5.282 -2.347 1.00 0.00 N ATOM 0 H ARG A 97 7.512 1.889 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 97 8.366 3.574 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.754 1.486 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.607 2.475 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.898 4.524 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.005 3.553 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.255 2.337 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.007 3.659 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 97 10.202 4.526 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.478 3.564 -4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.221 4.398 -3.316 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.163 5.593 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.916 5.542 -1.821 1.00 0.00 H new ATOM 1601 N MET A 98 7.871 0.483 -9.164 1.00 0.00 N ATOM 1602 CA MET A 98 7.876 -0.499 -10.242 1.00 0.00 C ATOM 1603 C MET A 98 6.999 -0.037 -11.401 1.00 0.00 C ATOM 1604 O MET A 98 5.877 0.427 -11.197 1.00 0.00 O ATOM 1605 CB MET A 98 7.391 -1.855 -9.728 1.00 0.00 C ATOM 1606 CG MET A 98 8.259 -2.433 -8.622 1.00 0.00 C ATOM 1607 SD MET A 98 8.262 -4.236 -8.611 1.00 0.00 S ATOM 1608 CE MET A 98 6.509 -4.578 -8.739 1.00 0.00 C ATOM 0 H MET A 98 7.300 0.223 -8.360 1.00 0.00 H new ATOM 0 HA MET A 98 8.900 -0.601 -10.602 1.00 0.00 H new ATOM 0 HB2 MET A 98 6.370 -1.751 -9.360 1.00 0.00 H new ATOM 0 HB3 MET A 98 7.360 -2.559 -10.559 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.281 -2.073 -8.742 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.903 -2.068 -7.658 1.00 0.00 H new ATOM 0 HE1 MET A 98 6.284 -5.518 -8.235 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.946 -3.771 -8.271 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.229 -4.654 -9.790 1.00 0.00 H new ATOM 1618 N SER A 99 7.517 -0.168 -12.618 1.00 0.00 N ATOM 1619 CA SER A 99 6.782 0.240 -13.810 1.00 0.00 C ATOM 1620 C SER A 99 5.474 -0.536 -13.933 1.00 0.00 C ATOM 1621 O SER A 99 5.321 -1.635 -13.398 1.00 0.00 O ATOM 1622 CB SER A 99 7.636 0.024 -15.061 1.00 0.00 C ATOM 1623 OG SER A 99 8.409 1.174 -15.356 1.00 0.00 O ATOM 0 H SER A 99 8.443 -0.553 -12.805 1.00 0.00 H new ATOM 0 HA SER A 99 6.548 1.301 -13.718 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.294 -0.832 -14.912 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.992 -0.212 -15.908 1.00 0.00 H new ATOM 0 HG SER A 99 8.947 1.010 -16.159 1.00 0.00 H new ATOM 1629 N PRO A 100 4.506 0.048 -14.656 1.00 0.00 N ATOM 1630 CA PRO A 100 3.194 -0.570 -14.867 1.00 0.00 C ATOM 1631 C PRO A 100 3.269 -1.793 -15.775 1.00 0.00 C ATOM 1632 O PRO A 100 2.363 -2.626 -15.784 1.00 0.00 O ATOM 1633 CB PRO A 100 2.382 0.542 -15.535 1.00 0.00 C ATOM 1634 CG PRO A 100 3.397 1.408 -16.197 1.00 0.00 C ATOM 1635 CD PRO A 100 4.619 1.356 -15.322 1.00 0.00 C ATOM 0 HA PRO A 100 2.760 -0.933 -13.936 1.00 0.00 H new ATOM 0 HB2 PRO A 100 1.676 0.136 -16.259 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.801 1.102 -14.803 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.621 1.049 -17.202 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.032 2.430 -16.298 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.536 1.431 -15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.633 2.174 -14.602 1.00 0.00 H new ATOM 1643 N GLU A 101 4.354 -1.894 -16.537 1.00 0.00 N ATOM 1644 CA GLU A 101 4.545 -3.016 -17.448 1.00 0.00 C ATOM 1645 C GLU A 101 5.257 -4.170 -16.748 1.00 0.00 C ATOM 1646 O GLU A 101 5.252 -5.301 -17.233 1.00 0.00 O ATOM 1647 CB GLU A 101 5.348 -2.575 -18.673 1.00 0.00 C ATOM 1648 CG GLU A 101 5.543 -3.676 -19.702 1.00 0.00 C ATOM 1649 CD GLU A 101 6.121 -3.161 -21.006 1.00 0.00 C ATOM 1650 OE1 GLU A 101 7.360 -3.046 -21.102 1.00 0.00 O ATOM 1651 OE2 GLU A 101 5.332 -2.874 -21.931 1.00 0.00 O ATOM 0 H GLU A 101 5.113 -1.213 -16.541 1.00 0.00 H new ATOM 0 HA GLU A 101 3.563 -3.360 -17.771 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.841 -1.733 -19.145 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.325 -2.217 -18.347 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.205 -4.438 -19.292 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.585 -4.158 -19.899 1.00 0.00 H new ATOM 1658 N GLU A 102 5.868 -3.875 -15.605 1.00 0.00 N ATOM 1659 CA GLU A 102 6.585 -4.888 -14.839 1.00 0.00 C ATOM 1660 C GLU A 102 5.646 -5.607 -13.875 1.00 0.00 C ATOM 1661 O GLU A 102 5.963 -6.683 -13.367 1.00 0.00 O ATOM 1662 CB GLU A 102 7.739 -4.250 -14.064 1.00 0.00 C ATOM 1663 CG GLU A 102 9.016 -4.112 -14.876 1.00 0.00 C ATOM 1664 CD GLU A 102 9.817 -5.399 -14.927 1.00 0.00 C ATOM 1665 OE1 GLU A 102 9.369 -6.349 -15.603 1.00 0.00 O ATOM 1666 OE2 GLU A 102 10.890 -5.455 -14.292 1.00 0.00 O ATOM 0 H GLU A 102 5.881 -2.944 -15.189 1.00 0.00 H new ATOM 0 HA GLU A 102 6.988 -5.620 -15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.431 -3.264 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.945 -4.850 -13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.765 -3.804 -15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.632 -3.322 -14.446 1.00 0.00 H new ATOM 1673 N LEU A 103 4.488 -5.004 -13.626 1.00 0.00 N ATOM 1674 CA LEU A 103 3.502 -5.586 -12.722 1.00 0.00 C ATOM 1675 C LEU A 103 2.958 -6.897 -13.281 1.00 0.00 C ATOM 1676 O LEU A 103 2.569 -7.789 -12.528 1.00 0.00 O ATOM 1677 CB LEU A 103 2.353 -4.603 -12.488 1.00 0.00 C ATOM 1678 CG LEU A 103 2.671 -3.399 -11.600 1.00 0.00 C ATOM 1679 CD1 LEU A 103 1.559 -2.364 -11.686 1.00 0.00 C ATOM 1680 CD2 LEU A 103 2.881 -3.840 -10.159 1.00 0.00 C ATOM 0 H LEU A 103 4.209 -4.113 -14.037 1.00 0.00 H new ATOM 0 HA LEU A 103 3.994 -5.794 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.013 -4.236 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.520 -5.148 -12.043 1.00 0.00 H new ATOM 0 HG LEU A 103 3.594 -2.942 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.802 -1.515 -11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.456 -2.026 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.621 -2.809 -11.355 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.106 -2.970 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.976 -4.322 -9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.712 -4.544 -10.111 1.00 0.00 H new